| 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 | 66.5 | Low | 77.9 | Confident | 155 Ų | 155 | 87.9 Ų | 87.9 | 76% | 0.764 | 49% | 0.491 | S | S | * | . | 0 | 145.1 | 0 | -86.7 | 174.7 | -75.6 | 0 | 0 | 107 | P11 Y274 | M1-P11 HydrophobicContact CG-CG 4.37Å; M1-Y274 HydrophobicContact SD-CD2 3.86Å; M1-Y274 HydrophobicContact SD-CE2 4.08Å | |||
| 2 | V | 73.9 | Confident | 77.9 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.7 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | F9 | V2-F9 PolarHBondContact O-N 2.77Å |
| 3 | T | 80.1 | Confident | 78.4 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.5 | 173.1 | -52.4 | 0 | 0 | 0 | 0 | 107.8 | I7 E8 | T3-I7 WeakPolarHBondContact CA-O 3.42Å; T3-E8 HydrophobicContact CG2-CG 4.43Å |
| 4 | F | 78 | Confident | 79 | Confident | 130 Ų | 130 | 95.4 Ų | 95.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.2 | 177.9 | 179.8 | -99.8 | 0 | 0 | 0 | 108.9 | G6 I7 F9 | F4-G6 PolarHBondContact O-N 3.03Å; F4-I7 PolarHBondContact N-O 3.16Å; F4-I7 WeakPolarHBondContact O-CB 3.3Å; F4-I7 PolarHBondContact O-N 3.35Å; F4-F9 HydrophobicContact CB-CD2 4.28Å; F4-F9 HydrophobicContact CB-CE2 3.92Å |
| 5 | L | 78.5 | Confident | 79.8 | Confident | 149 Ų | 149 | 94.3 Ų | 94.3 | 78% | 0.78 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.5 | -174.6 | -59.5 | 174.7 | 0 | 0 | 0 | 113.9 | I7 | L5-I7 PolarHBondContact O-N 2.69Š|
| 6 | G | 76.6 | Confident | 80.6 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -1.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | F4 | F4-G6 PolarHBondContact O-N 3.03Š|
| 7 | I | 77.6 | Confident | 81.3 | Confident | 49 Ų | 49 | 102.9 Ų | 102.9 | 25% | 0.251 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.9 | 175.7 | -56.5 | 170.6 | 0 | 0 | 0 | 108.7 | T3 F4 L5 F9 N273 F276 | T3-I7 WeakPolarHBondContact CA-O 3.42Å; F4-I7 PolarHBondContact N-O 3.16Å; F4-I7 WeakPolarHBondContact O-CB 3.3Å; F4-I7 PolarHBondContact O-N 3.35Å; L5-I7 PolarHBondContact O-N 2.69Å; I7-F9 HydrophobicContact CB-CD2 4.32Å; I7-F9 HydrophobicContact CB-CE2 3.69Å; I7-F9 HydrophobicContact CB-CZ 4.05Å; I7-F9 HydrophobicContact CD1-CZ 4.4Å; I7-F9 HydrophobicContact CG2-CD1 4.48Å; I7-F9 HydrophobicContact CG2-CD2 4.06Å; I7-F9 HydrophobicContact CG2-CE1 4.13Å; I7-F9 HydrophobicContact CG2-CE2 3.64Å; I7-F9 HydrophobicContact CG2-CG 4.46Å; I7-F9 HydrophobicContact CG2-CZ 3.7Å; I7-F9 WeakPolarHBondContact O-CD2 3.39Å; I7-F9 PolarHBondContact O-N 3.21Å; I7-N273 HydrophobicContact CG2-CB 3.73Å; I7-F276 HydrophobicContact CD1-CE1 4Å; I7-F276 HydrophobicContact CG1-CE1 4.12Å; I7-F276 HydrophobicContact CG2-CE1 4.09Å |
| 8 | E | 82.6 | Confident | 82 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 108.3 | 171 | -65.1 | -171 | 168.9 | 0 | 0 | 109.2 | T3 N273 Y274 S275 | T3-E8 HydrophobicContact CG2-CG 4.43Å; E8-N273 CarbonylContact O-C 3.52Å; E8-N273 VanDerWaalsContact O-CA 3.31Å; E8-N273 WeakPolarHBondContact O-CA 3.49Å; E8-Y274 PolarHBondContact O-N 2.64Å; E8-S275 PolarHBondContact N-OG 2.8Å |
| 9 | F | 82 | Confident | 82.5 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 145.1 | 178.6 | -71.9 | -88 | 0 | 0 | 0 | 111.6 | V2 F4 I7 | V2-F9 PolarHBondContact O-N 2.77Å; F4-F9 HydrophobicContact CB-CD2 4.28Å; F4-F9 HydrophobicContact CB-CE2 3.92Å; I7-F9 HydrophobicContact CB-CD2 4.32Å; I7-F9 HydrophobicContact CB-CE2 3.69Å; I7-F9 HydrophobicContact CB-CZ 4.05Å; I7-F9 HydrophobicContact CD1-CZ 4.4Å; I7-F9 HydrophobicContact CG2-CD1 4.48Å; I7-F9 HydrophobicContact CG2-CD2 4.06Å; I7-F9 HydrophobicContact CG2-CE1 4.13Å; I7-F9 HydrophobicContact CG2-CE2 3.64Å; I7-F9 HydrophobicContact CG2-CG 4.46Å; I7-F9 HydrophobicContact CG2-CZ 3.7Å; I7-F9 WeakPolarHBondContact O-CD2 3.39Å; I7-F9 PolarHBondContact O-N 3.21Å |
| 10 | A | 79.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 100.1 Ų | 100.1 | 19% | 0.19 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 137.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L12 F272 Y274 | A10-L12 PolarHBondContact O-N 2.82Å; A10-F272 WeakPolarHBondContact CB-O 3.22Å; A10-F272 PolarHBondContact N-O 2.67Å; A10-Y274 HydrophobicContact CB-CD1 4.47Å; A10-Y274 HydrophobicContact CB-CE1 3.58Å; A10-Y274 HydrophobicContact CB-CE2 4.5Å |
| 11 | P | 81.7 | Confident | 83.8 | Confident | 52 Ų | 52 | 95.9 Ų | 95.9 | 34% | 0.338 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 140.3 | 173.1 | -23.2 | 33.1 | 0 | 0 | 0 | 110.8 | M1 F13 V14 Y274 | M1-P11 HydrophobicContact CG-CG 4.37Å; P11-F13 PolarHBondContact O-N 3.01Å; P11-V14 WeakPolarHBondContact O-CG2 3.33Å; P11-Y274 VanDerWaalsContact CD-OH 3.29Å; P11-Y274 WeakPolarHBondContact CD-OH 3.49Å |
| 12 | L | 77.9 | Confident | 85.1 | Confident | 154 Ų | 154 | 89.1 Ų | 89.1 | 81% | 0.806 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -56.6 | -39 | 178.3 | -69.3 | 167.4 | 0 | 0 | 0 | 111.9 | A10 V14 | A10-L12 PolarHBondContact O-N 2.82Å; L12-V14 PolarHBondContact O-N 3.48Å |
| 13 | F | 84.8 | Confident | 86 | Confident | 189 Ų | 189 | 88.3 Ų | 88.3 | 83% | 0.829 | 44% | 0.436 | S | S | * | . | trans | -99.2 | 65.4 | -178.9 | -58.6 | -75.3 | 0 | 0 | 0 | 112.3 | P11 P15 | P11-F13 PolarHBondContact O-N 3.01Å; F13-P15 WeakPolarHBondContact O-CD 3.31Å | ||
| 14 | V | 85.6 | Confident | 86.7 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 15% | 0.152 | 41% | 0.411 | C | S | . | . | trans | -73.6 | 124.4 | 169 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | P11 L12 R18 R19 | P11-V14 WeakPolarHBondContact O-CG2 3.33Å; L12-V14 PolarHBondContact O-N 3.48Å; V14-R18 HydrophobicContact CG1-CB 3.5Å; V14-R18 VanDerWaalsContact CG1-CB 3.5Å; V14-R19 HydrophobicContact CB-CG 4.21Å; V14-R19 HydrophobicContact CG1-CG 4.02Å; V14-R19 PolarHBondContact O-NE 3.29Å | ||
| 15 | P | 92.2 | Very high | 87.5 | Confident | 80 Ų | 80 | 78 Ų | 78 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | trans | -55.5 | 145.8 | 176.8 | -26 | 34 | 0 | 0 | 0 | 112.9 | F13 R17 R18 R19 | F13-P15 WeakPolarHBondContact O-CD 3.31Å; P15-R17 PolarHBondContact O-N 2.73Å; P15-R17 VanDerWaalsContact O-N 3.16Å; P15-R18 PolarHBondContact O-N 2.8Å; P15-R19 PolarHBondContact O-N 3.33Å; P15-R19 VanDerWaalsContact O-N 3.14Å | ||
| 16 | W | 91.2 | Very high | 88.2 | Confident | 181 Ų | 181 | 72.3 Ų | 72.3 | 69% | 0.686 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -50.6 | -42.9 | -179.4 | 178.1 | -113.3 | 0 | 0 | 0 | 113 | R18 R19 M20 | W16-R18 VanDerWaalsContact C-N 3.32Å; W16-R18 PolarHBondContact O-N 3.46Å; W16-R19 WeakPolarHBondContact O-CB 3.11Å; W16-R19 PolarHBondContact O-N 3.01Å; W16-M20 HydrophobicContact CD2-CG 4.16Å; W16-M20 HydrophobicContact CG-CG 4.47Å; W16-M20 HydrophobicContact CH2-SD 3.81Å; W16-M20 HydrophobicContact CZ2-CG 3.91Å; W16-M20 HydrophobicContact CZ2-SD 3.33Å; W16-M20 WeakPolarHBondContact CZ2-SD 3.48Å; W16-M20 PolarHBondContact O-N 2.97Å |
| 17 | R | 93.7 | Very high | 88.9 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.2 | -45 | 175.6 | -174.4 | 178.1 | -179.6 | -169.2 | -0.1 | 112.4 | P15 M20 Q21 D90 | P15-R17 PolarHBondContact O-N 2.73Å; P15-R17 VanDerWaalsContact O-N 3.16Å; R17-M20 PolarHBondContact O-N 2.84Å; R17-Q21 VanDerWaalsContact O-CG 3.22Å; R17-Q21 WeakPolarHBondContact O-CG 3.46Å; R17-Q21 PolarHBondContact O-N 2.86Å; R17-D90 IonicContact CZ-OD2 2.78Å; R17-D90 IonicContact NE-OD2 3.25Å; R17-D90 IonicContact NH2-OD2 3.81Å; R17-D90 PolarHBondContact NH2-OD2 3.1Å |
| 18 | R | 93 | Very high | 89.6 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 35% | 0.347 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.2 | -30.5 | 179 | -72.2 | -170.2 | 74.2 | -173.8 | 2.5 | 112.4 | V14 P15 W16 T22 R282 | V14-R18 HydrophobicContact CG1-CB 3.5Å; V14-R18 VanDerWaalsContact CG1-CB 3.5Å; P15-R18 PolarHBondContact O-N 2.8Å; W16-R18 VanDerWaalsContact C-N 3.32Å; W16-R18 PolarHBondContact O-N 3.46Å; R18-T22 PolarHBondContact O-N 2.91Å; R18-T22 VanDerWaalsContact O-N 3.09Å; R18-T22 PolarHBondContact O-OG1 3.14Å; R18-R282 PolarHBondContact O-NH2 2.9Å |
| 19 | R | 92.4 | Very high | 89.9 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 171.8 | -61.9 | -177.8 | -175.9 | -166.8 | -5.8 | 110.5 | V14 P15 W16 Q21 T22 I23 | V14-R19 HydrophobicContact CB-CG 4.21Å; V14-R19 HydrophobicContact CG1-CG 4.02Å; V14-R19 PolarHBondContact O-NE 3.29Å; P15-R19 PolarHBondContact O-N 3.33Å; P15-R19 VanDerWaalsContact O-N 3.14Å; W16-R19 WeakPolarHBondContact O-CB 3.11Å; W16-R19 PolarHBondContact O-N 3.01Å; R19-Q21 PolarHBondContact O-N 3.17Å; R19-T22 CarbonylContact O-C 3.47Å; R19-T22 WeakPolarHBondContact O-CA 3.25Å; R19-T22 WeakPolarHBondContact O-CB 3.28Å; R19-T22 PolarHBondContact O-N 2.88Å; R19-I23 WeakPolarHBondContact O-CG1 3.47Å; R19-I23 PolarHBondContact O-N 3.18Å |
| 20 | M | 94.8 | Very high | 90 | Very high | 42 Ų | 42 | 64.7 Ų | 64.7 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.8 | -68.3 | -54.1 | -64.2 | 0 | 0 | 113.2 | W16 R17 T22 I23 A24 | W16-M20 HydrophobicContact CD2-CG 4.16Å; W16-M20 HydrophobicContact CG-CG 4.47Å; W16-M20 HydrophobicContact CH2-SD 3.81Å; W16-M20 HydrophobicContact CZ2-CG 3.91Å; W16-M20 HydrophobicContact CZ2-SD 3.33Å; W16-M20 WeakPolarHBondContact CZ2-SD 3.48Å; W16-M20 PolarHBondContact O-N 2.97Å; R17-M20 PolarHBondContact O-N 2.84Å; M20-T22 VanDerWaalsContact C-N 3.28Å; M20-T22 PolarHBondContact O-N 3.43Å; M20-I23 PolarHBondContact O-N 3.03Å; M20-I23 HydrophobicContact SD-CD1 4.08Å; M20-A24 WeakPolarHBondContact O-CB 2.99Å; M20-A24 PolarHBondContact O-N 3.35Å |
| 21 | Q | 96.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.3 | -42 | 171.2 | -69 | 168.9 | -12.1 | 0 | 0 | 112 | R17 R19 A24 V25 H87 D90 Y91 | R17-Q21 VanDerWaalsContact O-CG 3.22Å; R17-Q21 WeakPolarHBondContact O-CG 3.46Å; R17-Q21 PolarHBondContact O-N 2.86Å; R19-Q21 PolarHBondContact O-N 3.17Å; Q21-A24 PolarHBondContact O-N 3.36Å; Q21-V25 PolarHBondContact O-N 2.92Å; Q21-V25 VanDerWaalsContact O-N 3.15Å; Q21-H87 HydrophobicContact CG-CB 4.3Å; Q21-H87 VanDerWaalsContact CG-O 3.31Å; Q21-H87 WeakPolarHBondContact CG-O 3.29Å; Q21-D90 HydrophobicContact CG-CB 4.22Å; Q21-D90 PolarHBondContact NE2-O 3.42Å; Q21-Y91 HydrophobicContact CB-CD2 3.92Å; Q21-Y91 HydrophobicContact CB-CG 4.47Å; Q21-Y91 WeakPolarHBondContact O-CD2 3.47Å |
| 22 | T | 94.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 179.7 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | R18 R19 M20 A24 V25 A26 R269 L271 L279 R282 | R18-T22 PolarHBondContact O-N 2.91Å; R18-T22 VanDerWaalsContact O-N 3.09Å; R18-T22 PolarHBondContact O-OG1 3.14Å; R19-T22 CarbonylContact O-C 3.47Å; R19-T22 WeakPolarHBondContact O-CA 3.25Å; R19-T22 WeakPolarHBondContact O-CB 3.28Å; R19-T22 PolarHBondContact O-N 2.88Å; M20-T22 VanDerWaalsContact C-N 3.28Å; M20-T22 PolarHBondContact O-N 3.43Å; T22-A24 VanDerWaalsContact C-N 3.31Å; T22-A24 PolarHBondContact O-N 3.31Å; T22-V25 PolarHBondContact O-N 3.38Å; T22-A26 VanDerWaalsContact O-CB 3.24Å; T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 3.02Å; T22-R269 PolarHBondContact OG1-NH2 3.07Å; T22-L271 HydrophobicContact CG2-CD2 3.79Å; T22-L279 HydrophobicContact CG2-CD1 3.84Å; T22-R282 PolarHBondContact OG1-NH2 3.32Å; T22-R282 VanDerWaalsContact OG1-NH2 3.09Å |
| 23 | I | 93.5 | Very high | 89.2 | Confident | 86 Ų | 86 | 60 Ų | 60 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 173.3 | -68.6 | 166.6 | 0 | 0 | 0 | 110.6 | R19 M20 A26 H27 | R19-I23 WeakPolarHBondContact O-CG1 3.47Å; R19-I23 PolarHBondContact O-N 3.18Å; M20-I23 PolarHBondContact O-N 3.03Å; M20-I23 HydrophobicContact SD-CD1 4.08Å; I23-A26 PolarHBondContact O-N 3.25Å; I23-H27 VanDerWaalsContact O-CB 3.3Å; I23-H27 WeakPolarHBondContact O-CB 3.42Å; I23-H27 PolarHBondContact O-N 3.2Å |
| 24 | A | 95.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | M20 Q21 T22 H27 Y28 I84 H87 M88 | M20-A24 WeakPolarHBondContact O-CB 2.99Å; M20-A24 PolarHBondContact O-N 3.35Å; Q21-A24 PolarHBondContact O-N 3.36Å; T22-A24 VanDerWaalsContact C-N 3.31Å; T22-A24 PolarHBondContact O-N 3.31Å; A24-H27 WeakPolarHBondContact O-CB 3.37Å; A24-H27 PolarHBondContact O-N 3.44Å; A24-Y28 PolarHBondContact O-N 2.93Å; A24-Y28 VanDerWaalsContact O-N 3.11Å; A24-I84 HydrophobicContact CB-CD1 4.44Å; A24-I84 HydrophobicContact CB-CG1 3.51Å; A24-I84 WeakPolarHBondContact CB-O 3.4Å; A24-H87 HydrophobicContact CB-CB 3.87Å; A24-M88 HydrophobicContact CB-CB 4.03Å |
| 25 | V | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 176 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | Q21 T22 H27 Y28 V29 M88 Y91 F92 F120 L279 P280 | Q21-V25 PolarHBondContact O-N 2.92Å; Q21-V25 VanDerWaalsContact O-N 3.15Å; T22-V25 PolarHBondContact O-N 3.38Å; V25-H27 VanDerWaalsContact C-N 3.29Å; V25-H27 PolarHBondContact O-N 3.08Å; V25-Y28 PolarHBondContact O-N 2.92Å; V25-Y28 VanDerWaalsContact O-N 3.16Å; V25-V29 HydrophobicContact CG1-CG2 4.23Å; V25-V29 WeakPolarHBondContact O-CG2 3.46Å; V25-V29 PolarHBondContact O-N 2.87Å; V25-M88 HydrophobicContact CG2-CG 4.05Å; V25-Y91 HydrophobicContact CB-CD2 4.33Å; V25-Y91 HydrophobicContact CB-CE2 4.4Å; V25-Y91 HydrophobicContact CB-CG 4.39Å; V25-Y91 HydrophobicContact CG1-CE1 4.37Å; V25-Y91 HydrophobicContact CG2-CD1 3.61Å; V25-Y91 HydrophobicContact CG2-CD2 3.74Å; V25-Y91 HydrophobicContact CG2-CE1 4.1Å; V25-Y91 HydrophobicContact CG2-CE2 4.22Å; V25-Y91 HydrophobicContact CG2-CG 3.39Å; V25-F92 HydrophobicContact CG1-CE2 4.44Å; V25-F92 HydrophobicContact CG1-CZ 4.16Å; V25-F92 HydrophobicContact CG2-CD2 4.43Å; V25-F92 HydrophobicContact CG2-CE2 3.62Å; V25-F92 HydrophobicContact CG2-CZ 4.07Å; V25-F120 HydrophobicContact CG1-CE1 4.18Å; V25-L279 HydrophobicContact CG1-CD2 4.47Å; V25-P280 VanDerWaalsContact CG1-CD 3.42Å; V25-P280 HydrophobicContact CG1-CG 3.53Å |
| 26 | A | 92 | Very high | 85.9 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T22 I23 V29 S30 L279 | T22-A26 VanDerWaalsContact O-CB 3.24Å; T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 3.02Å; I23-A26 PolarHBondContact O-N 3.25Å; A26-V29 PolarHBondContact O-N 3.47Å; A26-S30 WeakPolarHBondContact O-CB 3.41Å; A26-S30 PolarHBondContact O-N 3.39Å; A26-S30 PolarHBondContact O-OG 3.08Å; A26-L279 HydrophobicContact CB-CD2 3.77Å |
| 27 | H | 91.5 | Very high | 84.9 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -51.6 | 172.2 | 167.7 | -107.4 | 0 | 0 | 0 | 110.7 | I23 A24 V25 V29 S30 L31 I84 Y85 Y159 | I23-H27 VanDerWaalsContact O-CB 3.3Å; I23-H27 WeakPolarHBondContact O-CB 3.42Å; I23-H27 PolarHBondContact O-N 3.2Å; A24-H27 WeakPolarHBondContact O-CB 3.37Å; A24-H27 PolarHBondContact O-N 3.44Å; V25-H27 VanDerWaalsContact C-N 3.29Å; V25-H27 PolarHBondContact O-N 3.08Å; H27-V29 PolarHBondContact O-N 2.76Å; H27-S30 WeakPolarHBondContact CA-OG 3.44Å; H27-S30 CarbonylContact O-C 3.57Å; H27-S30 WeakPolarHBondContact O-CB 3.23Å; H27-S30 PolarHBondContact O-N 3.21Å; H27-S30 VanDerWaalsContact O-N 3.15Å; H27-S30 PolarHBondContact O-OG 3.39Å; H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 2.79Å; H27-I84 HydrophobicContact CB-CD1 3.99Å; H27-Y85 PolarHBondContact CE1-OH 2.96Å; H27-Y159 AromaticContact CE1-CE1 3.77Å; H27-Y159 AromaticContact CE1-CZ 3.83Å; H27-Y159 PolarHBondContact CE1-OH 3.3Å; H27-Y159 AromaticContact NE2-CE1 3.69Å; H27-Y159 AromaticContact NE2-CZ 3.79Å; H27-Y159 PolarHBondContact NE2-OH 2.89Å |
| 28 | Y | 92 | Very high | 83.9 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 178.3 | -178.4 | -105.3 | 0 | 0 | 0 | 113.3 | A24 V25 S30 L31 F32 M88 M118 F120 F123 | A24-Y28 PolarHBondContact O-N 2.93Å; A24-Y28 VanDerWaalsContact O-N 3.11Å; V25-Y28 PolarHBondContact O-N 2.92Å; V25-Y28 VanDerWaalsContact O-N 3.16Å; Y28-S30 PolarHBondContact O-N 2.89Å; Y28-L31 HydrophobicContact CD2-CD1 4.37Å; Y28-L31 WeakPolarHBondContact O-CB 3.24Å; Y28-L31 PolarHBondContact O-N 2.59Å; Y28-F32 HydrophobicContact CD1-CE2 4.25Å; Y28-F32 HydrophobicContact CD2-CE2 4.38Å; Y28-F32 HydrophobicContact CE1-CD2 4.43Å; Y28-F32 AromaticContact CE1-CE2 3.67Å; Y28-F32 HydrophobicContact CE1-CE2 3.67Å; Y28-F32 AromaticContact CE2-CE2 3.74Å; Y28-F32 HydrophobicContact CE2-CE2 3.74Å; Y28-F32 HydrophobicContact CE2-CZ 4.42Å; Y28-F32 AromaticContact CZ-CE2 3.4Å; Y28-F32 VanDerWaalsContact CZ-CE2 3.4Å; Y28-F32 AromaticContact CZ-CZ 3.98Å; Y28-F32 WeakPolarHBondContact O-CD2 3.42Å; Y28-M88 HydrophobicContact CD2-SD 4.41Å; Y28-M88 HydrophobicContact CG-SD 4.09Å; Y28-M118 HydrophobicContact CE1-CB 4.13Å; Y28-M118 PolarHBondContact OH-O 2.77Å; Y28-F120 AromaticContact CD1-CD1 3.51Å; Y28-F120 HydrophobicContact CD1-CD1 3.51Å; Y28-F120 AromaticContact CD1-CE1 3.33Å; Y28-F120 HydrophobicContact CD1-CE1 3.33Å; Y28-F120 HydrophobicContact CD1-CZ 4.25Å; Y28-F120 AromaticContact CE1-CD1 3.53Å; Y28-F120 HydrophobicContact CE1-CD1 3.53Å; Y28-F120 AromaticContact CE1-CE1 3.65Å; Y28-F120 HydrophobicContact CE1-CE1 3.65Å; Y28-F120 HydrophobicContact CE1-CG 4.19Å; Y28-F120 HydrophobicContact CE1-CZ 4.35Å; Y28-F120 HydrophobicContact CG-CE1 4.5Å; Y28-F123 AromaticContact CD2-CD1 3.46Å; Y28-F123 HydrophobicContact CD2-CD1 3.46Å; Y28-F123 VanDerWaalsContact CD2-CD1 3.46Å; Y28-F123 HydrophobicContact CD2-CD2 4.46Å; Y28-F123 AromaticContact CD2-CE1 3.48Å; Y28-F123 HydrophobicContact CD2-CE1 3.48Å; Y28-F123 VanDerWaalsContact CD2-CE1 3.48Å; Y28-F123 HydrophobicContact CD2-CE2 4.47Å; Y28-F123 AromaticContact CD2-CG 3.99Å; Y28-F123 HydrophobicContact CD2-CG 3.99Å; Y28-F123 HydrophobicContact CD2-CZ 4.01Å; Y28-F123 HydrophobicContact CE2-CB 3.68Å; Y28-F123 AromaticContact CE2-CD1 3.15Å; Y28-F123 HydrophobicContact CE2-CD1 3.15Å; Y28-F123 AromaticContact CE2-CD2 3.64Å; Y28-F123 HydrophobicContact CE2-CD2 3.64Å; Y28-F123 AromaticContact CE2-CE1 3.59Å; Y28-F123 HydrophobicContact CE2-CE1 3.59Å; Y28-F123 HydrophobicContact CE2-CE2 4.02Å; Y28-F123 AromaticContact CE2-CG 3.19Å; Y28-F123 HydrophobicContact CE2-CG 3.19Å; Y28-F123 AromaticContact CE2-CZ 4Å; Y28-F123 HydrophobicContact CE2-CZ 4Å; Y28-F123 HydrophobicContact CG-CD1 4.44Å; Y28-F123 AromaticContact CZ-CD1 3.9Å; Y28-F123 AromaticContact CZ-CG 3.76Å; Y28-F123 VanDerWaalsContact OH-CB 3.26Å; Y28-F123 WeakPolarHBondContact OH-CB 3.48Å |
| 29 | V | 89.2 | Confident | 83 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | V25 A26 H27 L31 F32 A33 M118 F120 V278 L279 | V25-V29 HydrophobicContact CG1-CG2 4.23Å; V25-V29 WeakPolarHBondContact O-CG2 3.46Å; V25-V29 PolarHBondContact O-N 2.87Å; A26-V29 PolarHBondContact O-N 3.47Å; H27-V29 PolarHBondContact O-N 2.76Å; V29-L31 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.06Å; V29-F32 VanDerWaalsContact O-N 3.14Å; V29-A33 PolarHBondContact O-N 3.29Å; V29-M118 HydrophobicContact CG1-CE 4.26Å; V29-M118 HydrophobicContact CG2-SD 4.01Å; V29-F120 HydrophobicContact CG2-CE1 4.28Å; V29-F120 HydrophobicContact CG2-CZ 4.11Å; V29-V278 HydrophobicContact CG1-CG2 4.43Å; V29-L279 HydrophobicContact CB-CD2 4.48Å; V29-L279 HydrophobicContact CG2-CD2 4.31Å |
| 30 | S | 84.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 42 Ų | 42 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.3 | -25.4 | 176.7 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | A26 H27 Y28 F32 A33 G34 P35 | A26-S30 WeakPolarHBondContact O-CB 3.41Å; A26-S30 PolarHBondContact O-N 3.39Å; A26-S30 PolarHBondContact O-OG 3.08Å; H27-S30 WeakPolarHBondContact CA-OG 3.44Å; H27-S30 CarbonylContact O-C 3.57Å; H27-S30 WeakPolarHBondContact O-CB 3.23Å; H27-S30 PolarHBondContact O-N 3.21Å; H27-S30 VanDerWaalsContact O-N 3.15Å; H27-S30 PolarHBondContact O-OG 3.39Å; Y28-S30 PolarHBondContact O-N 2.89Å; S30-F32 PolarHBondContact O-N 2.84Å; S30-A33 PolarHBondContact O-N 3.46Å; S30-G34 WeakPolarHBondContact O-CA 3.43Å; S30-G34 PolarHBondContact O-N 2.91Å; S30-P35 WeakPolarHBondContact O-CD 3.34Å |
| 31 | L | 82.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -31.1 | 174.7 | -64.1 | 175.5 | 0 | 0 | 0 | 111.8 | H27 Y28 V29 R156 Y159 | H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 2.79Å; Y28-L31 HydrophobicContact CD2-CD1 4.37Å; Y28-L31 WeakPolarHBondContact O-CB 3.24Å; Y28-L31 PolarHBondContact O-N 2.59Å; V29-L31 PolarHBondContact O-N 3.37Å; L31-R156 PolarHBondContact O-NE 2.92Å; L31-R156 VanDerWaalsContact O-NE 3.14Å; L31-R156 PolarHBondContact O-NH1 2.76Å; L31-R156 PolarHBondContact O-NH2 3.41Å; L31-Y159 HydrophobicContact CD1-CD1 4.26Å; L31-Y159 HydrophobicContact CD1-CE1 3.83Å; L31-Y159 HydrophobicContact CD2-CD1 3.63Å; L31-Y159 HydrophobicContact CD2-CE1 3.66Å; L31-Y159 HydrophobicContact CG-CE1 4.38Å |
| 32 | F | 74.4 | Confident | 81 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.7 | -43 | 176.7 | -70.7 | -89 | 0 | 0 | 0 | 112.7 | Y28 V29 S30 M118 R156 | Y28-F32 HydrophobicContact CD1-CE2 4.25Å; Y28-F32 HydrophobicContact CD2-CE2 4.38Å; Y28-F32 HydrophobicContact CE1-CD2 4.43Å; Y28-F32 AromaticContact CE1-CE2 3.67Å; Y28-F32 HydrophobicContact CE1-CE2 3.67Å; Y28-F32 AromaticContact CE2-CE2 3.74Å; Y28-F32 HydrophobicContact CE2-CE2 3.74Å; Y28-F32 HydrophobicContact CE2-CZ 4.42Å; Y28-F32 AromaticContact CZ-CE2 3.4Å; Y28-F32 VanDerWaalsContact CZ-CE2 3.4Å; Y28-F32 AromaticContact CZ-CZ 3.98Å; Y28-F32 WeakPolarHBondContact O-CD2 3.42Å; V29-F32 PolarHBondContact O-N 3.06Å; V29-F32 VanDerWaalsContact O-N 3.14Å; S30-F32 PolarHBondContact O-N 2.84Å; F32-M118 HydrophobicContact CD2-SD 4.33Å; F32-R156 PolarHBondContact O-NH1 2.99Å |
| 33 | A | 66.3 | Low | 80.4 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -105.9 | -24.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V29 S30 Y36 | V29-A33 PolarHBondContact O-N 3.29Å; S30-A33 PolarHBondContact O-N 3.46Å; A33-Y36 VanDerWaalsContact O-CD2 3.29Å; A33-Y36 WeakPolarHBondContact O-CD2 3.4Å |
| 34 | G | 62 | Low | 80 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -98.4 | -28.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | S30 Y36 F37 | S30-G34 WeakPolarHBondContact O-CA 3.43Å; S30-G34 PolarHBondContact O-N 2.91Å; G34-Y36 PolarHBondContact O-N 3.39Å; G34-F37 PolarHBondContact O-N 3.06Å |
| 35 | P | 63.9 | Low | 79.6 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.2 | -7.9 | -168.3 | 27 | -26.6 | 0 | 0 | 0 | 112.5 | S30 L39 R156 | S30-P35 WeakPolarHBondContact O-CD 3.34Å; P35-L39 WeakPolarHBondContact O-CB 3.29Å; P35-L39 PolarHBondContact O-N 2.82Å; P35-R156 HydrophobicContact CB-CB 4.23Å; P35-R156 HydrophobicContact CG-CB 4.15Å; P35-R156 HydrophobicContact CG-CG 4.08Å |
| 36 | Y | 67.5 | Low | 79.3 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 177.2 | -52.6 | -54.8 | 0 | 0 | 0 | 111.8 | A33 G34 I40 F153 R156 | A33-Y36 VanDerWaalsContact O-CD2 3.29Å; A33-Y36 WeakPolarHBondContact O-CD2 3.4Å; G34-Y36 PolarHBondContact O-N 3.39Å; Y36-I40 WeakPolarHBondContact O-CB 3.49Å; Y36-I40 WeakPolarHBondContact O-CD1 3.37Å; Y36-I40 WeakPolarHBondContact O-CG1 3.34Å; Y36-I40 PolarHBondContact O-N 3.12Å; Y36-F153 AromaticContact CD1-CD1 3.65Å; Y36-F153 HydrophobicContact CD1-CD1 3.65Å; Y36-F153 HydrophobicContact CD1-CD2 4.48Å; Y36-F153 AromaticContact CD1-CE1 3.42Å; Y36-F153 HydrophobicContact CD1-CE1 3.42Å; Y36-F153 VanDerWaalsContact CD1-CE1 3.42Å; Y36-F153 HydrophobicContact CD1-CE2 4.32Å; Y36-F153 HydrophobicContact CD1-CG 4.17Å; Y36-F153 AromaticContact CD1-CZ 3.8Å; Y36-F153 HydrophobicContact CD1-CZ 3.8Å; Y36-F153 AromaticContact CE1-CD1 3.61Å; Y36-F153 HydrophobicContact CE1-CD1 3.61Å; Y36-F153 AromaticContact CE1-CD2 3.62Å; Y36-F153 HydrophobicContact CE1-CD2 3.62Å; Y36-F153 AromaticContact CE1-CE1 3.36Å; Y36-F153 HydrophobicContact CE1-CE1 3.36Å; Y36-F153 AromaticContact CE1-CE2 3.39Å; Y36-F153 HydrophobicContact CE1-CE2 3.39Å; Y36-F153 AromaticContact CE1-CG 3.73Å; Y36-F153 HydrophobicContact CE1-CG 3.73Å; Y36-F153 AromaticContact CE1-CZ 3.24Å; Y36-F153 HydrophobicContact CE1-CZ 3.24Å; Y36-R156 PolarHBondContact OH-NH1 2.86Å |
| 37 | F | 69.3 | Low | 79.1 | Confident | 139 Ų | 139 | 58.9 Ų | 58.9 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.7 | -47 | -178.6 | -63.8 | -72.8 | 0 | 0 | 0 | 111.6 | G34 L39 I40 F41 | G34-F37 PolarHBondContact O-N 3.06Å; F37-L39 VanDerWaalsContact C-N 3.28Å; F37-L39 PolarHBondContact O-N 3.09Å; F37-I40 PolarHBondContact O-N 3.1Å; F37-F41 HydrophobicContact CB-CD2 4.42Å; F37-F41 HydrophobicContact CB-CE2 4.36Å; F37-F41 WeakPolarHBondContact O-CD2 3.45Å; F37-F41 PolarHBondContact O-N 3.47Å |
| 38 | V | 72 | Confident | 79 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | F41 T42 | V38-F41 PolarHBondContact O-N 3.06Å; V38-T42 VanDerWaalsContact O-CB 3.31Å; V38-T42 WeakPolarHBondContact O-CB 3.34Å; V38-T42 PolarHBondContact O-N 2.98Å; V38-T42 PolarHBondContact O-OG1 2.84Å |
| 39 | L | 75.7 | Confident | 78.9 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 175.8 | 179.8 | 65.8 | 0 | 0 | 0 | 111.1 | P35 F37 F41 T42 L43 F153 P154 | P35-L39 WeakPolarHBondContact O-CB 3.29Å; P35-L39 PolarHBondContact O-N 2.82Å; F37-L39 VanDerWaalsContact C-N 3.28Å; F37-L39 PolarHBondContact O-N 3.09Å; L39-F41 PolarHBondContact O-N 2.66Å; L39-T42 PolarHBondContact O-N 2.82Å; L39-L43 HydrophobicContact CD1-CD1 3.99Å; L39-L43 HydrophobicContact CD1-CD2 4.27Å; L39-L43 HydrophobicContact CD1-CG 4Å; L39-L43 HydrophobicContact CD2-CD1 4.48Å; L39-L43 HydrophobicContact CG-CD1 3.83Å; L39-L43 HydrophobicContact CG-CG 4.24Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.26Å; L39-L43 PolarHBondContact O-N 3.15Å; L39-F153 HydrophobicContact CD2-CB 4.47Å; L39-F153 HydrophobicContact CD2-CD1 4.08Å; L39-P154 HydrophobicContact CD1-CB 4.03Å; L39-P154 HydrophobicContact CD1-CG 4.31Å; L39-P154 HydrophobicContact CD2-CG 4.25Å |
| 40 | I | 78.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 46% | 0.456 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 178.2 | -70.1 | 163.5 | 0 | 0 | 0 | 110.6 | Y36 F37 T42 L43 M44 | Y36-I40 WeakPolarHBondContact O-CB 3.49Å; Y36-I40 WeakPolarHBondContact O-CD1 3.37Å; Y36-I40 WeakPolarHBondContact O-CG1 3.34Å; Y36-I40 PolarHBondContact O-N 3.12Å; F37-I40 PolarHBondContact O-N 3.1Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.38Å; I40-L43 PolarHBondContact O-N 3.32Å; I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 3.87Å; I40-M44 WeakPolarHBondContact O-CB 3.42Å; I40-M44 VanDerWaalsContact O-CG 3.27Å; I40-M44 WeakPolarHBondContact O-CG 3.22Å; I40-M44 PolarHBondContact O-N 2.6Å |
| 41 | F | 81.1 | Confident | 79.2 | Confident | 140 Ų | 140 | 81 Ų | 81 | 61% | 0.614 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 177 | -75.9 | -66 | 0 | 0 | 0 | 112.5 | F37 V38 L39 M44 A45 | F37-F41 HydrophobicContact CB-CD2 4.42Å; F37-F41 HydrophobicContact CB-CE2 4.36Å; F37-F41 WeakPolarHBondContact O-CD2 3.45Å; F37-F41 PolarHBondContact O-N 3.47Å; V38-F41 PolarHBondContact O-N 3.06Å; L39-F41 PolarHBondContact O-N 2.66Å; F41-M44 PolarHBondContact O-N 2.74Å; F41-A45 WeakPolarHBondContact O-CB 3.48Å; F41-A45 PolarHBondContact O-N 3.39Å |
| 42 | T | 81.2 | Confident | 79.4 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | V38 L39 I40 A45 L46 | V38-T42 VanDerWaalsContact O-CB 3.31Å; V38-T42 WeakPolarHBondContact O-CB 3.34Å; V38-T42 PolarHBondContact O-N 2.98Å; V38-T42 PolarHBondContact O-OG1 2.84Å; L39-T42 PolarHBondContact O-N 2.82Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.38Å; T42-A45 PolarHBondContact O-N 2.97Å; T42-L46 HydrophobicContact CG2-CD1 4.32Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.33Å; T42-L46 PolarHBondContact O-N 3.3Å |
| 43 | L | 83.1 | Confident | 80.2 | Confident | 55 Ų | 55 | 91.2 Ų | 91.2 | 29% | 0.288 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.4 | -62.9 | 172 | 0 | 0 | 0 | 111.2 | L39 I40 L46 I47 M55 | L39-L43 HydrophobicContact CD1-CD1 3.99Å; L39-L43 HydrophobicContact CD1-CD2 4.27Å; L39-L43 HydrophobicContact CD1-CG 4Å; L39-L43 HydrophobicContact CD2-CD1 4.48Å; L39-L43 HydrophobicContact CG-CD1 3.83Å; L39-L43 HydrophobicContact CG-CG 4.24Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.26Å; L39-L43 PolarHBondContact O-N 3.15Å; I40-L43 PolarHBondContact O-N 3.32Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.4Å; L43-I47 VanDerWaalsContact O-N 3.08Å; L43-M55 HydrophobicContact CB-CE 4.13Å; L43-M55 HydrophobicContact CB-SD 4.33Å; L43-M55 HydrophobicContact CD2-CE 3.63Å; L43-M55 HydrophobicContact CD2-CG 4Å; L43-M55 HydrophobicContact CD2-SD 3.94Å; L43-M55 HydrophobicContact CG-CE 4.32Å |
| 44 | M | 84.4 | Confident | 81.4 | Confident | 109 Ų | 109 | 92 Ų | 92 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 174.3 | -72 | 179.2 | 76.1 | 0 | 0 | 111.6 | I40 F41 I47 V48 | I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 3.87Å; I40-M44 WeakPolarHBondContact O-CB 3.42Å; I40-M44 VanDerWaalsContact O-CG 3.27Å; I40-M44 WeakPolarHBondContact O-CG 3.22Å; I40-M44 PolarHBondContact O-N 2.6Å; F41-M44 PolarHBondContact O-N 2.74Å; M44-I47 PolarHBondContact O-N 2.89Å; M44-V48 WeakPolarHBondContact O-CG2 3.39Å; M44-V48 PolarHBondContact O-N 3.17Å |
| 45 | A | 86.4 | Confident | 82.6 | Confident | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F41 T42 I47 V48 W49 | F41-A45 WeakPolarHBondContact O-CB 3.48Å; F41-A45 PolarHBondContact O-N 3.39Å; T42-A45 PolarHBondContact O-N 2.97Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.39Å; A45-V48 PolarHBondContact O-N 2.81Å; A45-W49 WeakPolarHBondContact O-CB 3.29Å; A45-W49 VanDerWaalsContact O-CG 3.31Å; A45-W49 PolarHBondContact O-N 2.92Å |
| 46 | L | 88 | Confident | 83.8 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 19% | 0.194 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.3 | -70.9 | 173.6 | 0 | 0 | 0 | 112.3 | T42 L43 R50 L51 W52 L54 M55 | T42-L46 HydrophobicContact CG2-CD1 4.32Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.33Å; T42-L46 PolarHBondContact O-N 3.3Å; L43-L46 PolarHBondContact O-N 2.88Å; L46-R50 PolarHBondContact O-N 2.92Å; L46-L51 HydrophobicContact CB-CB 4.48Å; L46-L51 HydrophobicContact CD2-CB 3.79Å; L46-L51 HydrophobicContact CD2-CD1 4.14Å; L46-L51 CarbonylContact O-C 3.4Å; L46-L51 WeakPolarHBondContact O-CA 3.34Å; L46-L51 PolarHBondContact O-N 3.25Å; L46-W52 PolarHBondContact O-N 2.9Å; L46-L54 HydrophobicContact CD2-CD1 4.22Å; L46-M55 HydrophobicContact CB-CG 4.14Å; L46-M55 HydrophobicContact CB-SD 3.93Å; L46-M55 HydrophobicContact CD1-CG 3.69Å; L46-M55 HydrophobicContact CD1-SD 4.36Å |
| 47 | I | 87.6 | Confident | 85.1 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -51.2 | 175.5 | -67.5 | 165.6 | 0 | 0 | 0 | 110.7 | L43 M44 A45 W49 R50 M55 | L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.4Å; L43-I47 VanDerWaalsContact O-N 3.08Å; M44-I47 PolarHBondContact O-N 2.89Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.39Å; I47-W49 PolarHBondContact O-N 3.03Å; I47-R50 PolarHBondContact O-N 3.38Å; I47-M55 HydrophobicContact CD1-CE 4.36Å; I47-M55 HydrophobicContact CD1-SD 4.36Å; I47-M55 HydrophobicContact CG1-CE 4.47Å; I47-M55 HydrophobicContact CG1-SD 3.89Å |
| 48 | V | 89.2 | Confident | 86.1 | Confident | 113 Ų | 113 | 93.2 Ų | 93.2 | 69% | 0.685 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.7 | -37 | -179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | M44 A45 R50 | M44-V48 WeakPolarHBondContact O-CG2 3.39Å; M44-V48 PolarHBondContact O-N 3.17Å; A45-V48 PolarHBondContact O-N 2.81Å; V48-R50 PolarHBondContact O-N 2.9Å |
| 49 | W | 90.5 | Very high | 87.1 | Confident | 192 Ų | 192 | 90.2 Ų | 90.2 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.4 | -176.9 | -66.5 | 36.6 | 0 | 0 | 0 | 112.7 | A45 I47 L51 | A45-W49 WeakPolarHBondContact O-CB 3.29Å; A45-W49 VanDerWaalsContact O-CG 3.31Å; A45-W49 PolarHBondContact O-N 2.92Å; I47-W49 PolarHBondContact O-N 3.03Å; W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CG 4.22Å; W49-L51 PolarHBondContact O-N 3.43Å; W49-L51 VanDerWaalsContact O-N 3.14Å |
| 50 | R | 88.3 | Confident | 88 | Confident | 211 Ų | 211 | 93.8 Ų | 93.8 | 80% | 0.796 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 24.3 | -176.3 | -60 | -176.7 | 172.6 | 137.5 | -2.2 | 114 | L46 I47 V48 W52 | L46-R50 PolarHBondContact O-N 2.92Å; I47-R50 PolarHBondContact O-N 3.38Å; V48-R50 PolarHBondContact O-N 2.9Å; R50-W52 VanDerWaalsContact C-N 3.3Å |
| 51 | L | 90.6 | Very high | 88.8 | Confident | 58 Ų | 58 | 94.7 Ų | 94.7 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | trans | -93.7 | 21.6 | 174.4 | -63.4 | 178.4 | 0 | 0 | 0 | 112.3 | L46 W49 W53 L54 | L46-L51 HydrophobicContact CB-CB 4.48Å; L46-L51 HydrophobicContact CD2-CB 3.79Å; L46-L51 HydrophobicContact CD2-CD1 4.14Å; L46-L51 CarbonylContact O-C 3.4Å; L46-L51 WeakPolarHBondContact O-CA 3.34Å; L46-L51 PolarHBondContact O-N 3.25Å; W49-L51 HydrophobicContact CB-CD1 4.26Å; W49-L51 HydrophobicContact CB-CG 4.22Å; W49-L51 PolarHBondContact O-N 3.43Å; W49-L51 VanDerWaalsContact O-N 3.14Å; L51-W53 HydrophobicContact CD2-CZ2 4.41Å; L51-W53 PolarHBondContact O-N 3.03Å; L51-W53 VanDerWaalsContact O-N 3.14Å; L51-L54 HydrophobicContact CB-CD1 4.12Å; L51-L54 HydrophobicContact CD1-CD1 4.42Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 3Å | ||
| 52 | W | 88.2 | Confident | 89.3 | Confident | 164 Ų | 164 | 89.8 Ų | 89.8 | 62% | 0.621 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.6 | -26.9 | -179.2 | 66.4 | -95.4 | 0 | 0 | 0 | 113.1 | L46 R50 L54 M55 A56 | L46-W52 PolarHBondContact O-N 2.9Å; R50-W52 VanDerWaalsContact C-N 3.3Å; W52-L54 PolarHBondContact O-N 2.79Å; W52-M55 WeakPolarHBondContact O-CA 3.47Å; W52-M55 VanDerWaalsContact O-CB 3.27Å; W52-M55 WeakPolarHBondContact O-CB 3.23Å; W52-M55 PolarHBondContact O-N 3.37Å; W52-A56 HydrophobicContact CZ3-CB 4.45Å; W52-A56 PolarHBondContact O-N 3.05Å; W52-A56 VanDerWaalsContact O-N 3.11Å |
| 53 | W | 91.3 | Very high | 89.9 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -28.4 | 176.6 | 61.2 | -91.7 | 0 | 0 | 0 | 112.1 | L51 M55 A56 L57 | L51-W53 HydrophobicContact CD2-CZ2 4.41Å; L51-W53 PolarHBondContact O-N 3.03Å; L51-W53 VanDerWaalsContact O-N 3.14Å; W53-M55 VanDerWaalsContact C-N 3.31Å; W53-M55 PolarHBondContact O-N 3.18Å; W53-A56 PolarHBondContact O-N 3.39Å; W53-L57 HydrophobicContact CE3-CD1 3.59Å; W53-L57 HydrophobicContact CE3-CG 4.41Å; W53-L57 HydrophobicContact CZ3-CD1 3.66Å; W53-L57 WeakPolarHBondContact O-CG 3.39Å; W53-L57 PolarHBondContact O-N 3.22Å |
| 54 | L | 90.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 170.7 | -67.6 | 175.8 | 0 | 0 | 0 | 111.6 | L46 L51 W52 Y58 | L46-L54 HydrophobicContact CD2-CD1 4.22Å; L51-L54 HydrophobicContact CB-CD1 4.12Å; L51-L54 HydrophobicContact CD1-CD1 4.42Å; L51-L54 WeakPolarHBondContact O-CB 3.44Å; L51-L54 PolarHBondContact O-N 3Å; W52-L54 PolarHBondContact O-N 2.79Å; L54-Y58 WeakPolarHBondContact O-CB 3.28Å; L54-Y58 PolarHBondContact O-N 3.41Å |
| 55 | M | 87 | Confident | 91 | Very high | 58 Ų | 58 | 93.3 Ų | 93.3 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 174.2 | -60.8 | 173 | 48.1 | 0 | 0 | 111.1 | L43 L46 I47 W52 W53 Y58 G59 | L43-M55 HydrophobicContact CB-CE 4.13Å; L43-M55 HydrophobicContact CB-SD 4.33Å; L43-M55 HydrophobicContact CD2-CE 3.63Å; L43-M55 HydrophobicContact CD2-CG 4Å; L43-M55 HydrophobicContact CD2-SD 3.94Å; L43-M55 HydrophobicContact CG-CE 4.32Å; L46-M55 HydrophobicContact CB-CG 4.14Å; L46-M55 HydrophobicContact CB-SD 3.93Å; L46-M55 HydrophobicContact CD1-CG 3.69Å; L46-M55 HydrophobicContact CD1-SD 4.36Å; I47-M55 HydrophobicContact CD1-CE 4.36Å; I47-M55 HydrophobicContact CD1-SD 4.36Å; I47-M55 HydrophobicContact CG1-CE 4.47Å; I47-M55 HydrophobicContact CG1-SD 3.89Å; W52-M55 WeakPolarHBondContact O-CA 3.47Å; W52-M55 VanDerWaalsContact O-CB 3.27Å; W52-M55 WeakPolarHBondContact O-CB 3.23Å; W52-M55 PolarHBondContact O-N 3.37Å; W53-M55 VanDerWaalsContact C-N 3.31Å; W53-M55 PolarHBondContact O-N 3.18Å; M55-Y58 PolarHBondContact O-N 3.37Å; M55-G59 PolarHBondContact O-N 3.43Å |
| 56 | A | 90.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 97.5 Ų | 97.5 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W52 W53 G59 L60 | W52-A56 HydrophobicContact CZ3-CB 4.45Å; W52-A56 PolarHBondContact O-N 3.05Å; W52-A56 VanDerWaalsContact O-N 3.11Å; W53-A56 PolarHBondContact O-N 3.39Å; A56-G59 PolarHBondContact O-N 2.77Å; A56-L60 WeakPolarHBondContact O-CB 3.34Å; A56-L60 PolarHBondContact O-N 3.01Å |
| 57 | L | 93.9 | Very high | 91.5 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.9 | -71 | 178.7 | 0 | 0 | 0 | 111.8 | W53 L60 W61 | W53-L57 HydrophobicContact CE3-CD1 3.59Å; W53-L57 HydrophobicContact CE3-CG 4.41Å; W53-L57 HydrophobicContact CZ3-CD1 3.66Å; W53-L57 WeakPolarHBondContact O-CG 3.39Å; W53-L57 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 2.81Å; L57-W61 PolarHBondContact O-N 2.86Å |
| 58 | Y | 91.5 | Very high | 91.9 | Very high | 64 Ų | 64 | 94.3 Ų | 94.3 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 178.4 | -169.5 | -138.5 | 0 | 0 | 0 | 112.2 | L54 M55 W61 L62 P154 I155 E158 | L54-Y58 WeakPolarHBondContact O-CB 3.28Å; L54-Y58 PolarHBondContact O-N 3.41Å; M55-Y58 PolarHBondContact O-N 3.37Å; Y58-W61 HydrophobicContact CD2-CB 4.3Å; Y58-W61 AromaticContact CD2-CD1 3.65Å; Y58-W61 HydrophobicContact CD2-CG 4.29Å; Y58-W61 AromaticContact CE2-CD1 3.49Å; Y58-W61 VanDerWaalsContact CE2-CD1 3.49Å; Y58-W61 WeakPolarHBondContact O-CB 3.29Å; Y58-W61 PolarHBondContact O-N 2.9Å; Y58-L62 HydrophobicContact CD1-CD1 4.26Å; Y58-L62 HydrophobicContact CD2-CG 4.46Å; Y58-L62 HydrophobicContact CE1-CD1 4.18Å; Y58-L62 HydrophobicContact CE2-CD2 4.25Å; Y58-L62 HydrophobicContact CE2-CG 4.23Å; Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.27Å; Y58-L62 WeakPolarHBondContact O-CG 3.42Å; Y58-L62 PolarHBondContact O-N 3.28Å; Y58-P154 HydrophobicContact CD1-CB 4.15Å; Y58-P154 HydrophobicContact CE1-CB 3.44Å; Y58-P154 VanDerWaalsContact CE1-CB 3.44Å; Y58-I155 HydrophobicContact CE1-CG1 4.19Å; Y58-I155 PolarHBondContact OH-N 2.85Å; Y58-E158 VanDerWaalsContact OH-CG 3.25Å; Y58-E158 WeakPolarHBondContact OH-CG 3.19Å; Y58-E158 PolarHBondContact OH-OE1 3.43Å |
| 59 | G | 91.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 89.2 Ų | 89.2 | 38% | 0.381 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M55 A56 L62 Y63 | M55-G59 PolarHBondContact O-N 3.43Å; A56-G59 PolarHBondContact O-N 2.77Å; G59-L62 PolarHBondContact O-N 3.27Å; G59-Y63 PolarHBondContact O-N 3.4Å |
| 60 | L | 95.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 82.5 Ų | 82.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 172.3 | 178 | 61.6 | 0 | 0 | 0 | 111 | A56 L57 L62 Y63 L64 | A56-L60 WeakPolarHBondContact O-CB 3.34Å; A56-L60 PolarHBondContact O-N 3.01Å; L57-L60 PolarHBondContact O-N 2.81Å; L60-L62 PolarHBondContact O-N 2.86Å; L60-Y63 PolarHBondContact O-N 2.88Å; L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.99Å; L60-L64 HydrophobicContact CG-CG 4.46Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 3.01Å |
| 61 | W | 94.3 | Very high | 92.6 | Very high | 107 Ų | 107 | 76 Ų | 76 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 174 | 168.7 | -103.5 | 0 | 0 | 0 | 112.4 | L57 Y58 Y63 L64 D65 E158 | L57-W61 PolarHBondContact O-N 2.86Å; Y58-W61 HydrophobicContact CD2-CB 4.3Å; Y58-W61 AromaticContact CD2-CD1 3.65Å; Y58-W61 HydrophobicContact CD2-CG 4.29Å; Y58-W61 AromaticContact CE2-CD1 3.49Å; Y58-W61 VanDerWaalsContact CE2-CD1 3.49Å; Y58-W61 WeakPolarHBondContact O-CB 3.29Å; Y58-W61 PolarHBondContact O-N 2.9Å; W61-Y63 VanDerWaalsContact C-N 3.27Å; W61-Y63 PolarHBondContact O-N 2.76Å; W61-L64 PolarHBondContact O-N 2.79Å; W61-D65 HydrophobicContact CD2-CB 4.28Å; W61-D65 HydrophobicContact CZ2-CB 4.4Å; W61-D65 WeakPolarHBondContact O-CB 3.48Å; W61-D65 PolarHBondContact O-N 3.39Å; W61-E158 PolarHBondContact NE1-OE1 2.99Å |
| 62 | L | 92.7 | Very high | 92.4 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 178.3 | -72.1 | 171.2 | 0 | 0 | 0 | 112.2 | Y58 G59 L60 R66 P154 | Y58-L62 HydrophobicContact CD1-CD1 4.26Å; Y58-L62 HydrophobicContact CD2-CG 4.46Å; Y58-L62 HydrophobicContact CE1-CD1 4.18Å; Y58-L62 HydrophobicContact CE2-CD2 4.25Å; Y58-L62 HydrophobicContact CE2-CG 4.23Å; Y58-L62 WeakPolarHBondContact O-CB 3.41Å; Y58-L62 VanDerWaalsContact O-CG 3.27Å; Y58-L62 WeakPolarHBondContact O-CG 3.42Å; Y58-L62 PolarHBondContact O-N 3.28Å; G59-L62 PolarHBondContact O-N 3.27Å; L60-L62 PolarHBondContact O-N 2.86Å; L62-R66 WeakPolarHBondContact O-CA 3.31Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.32Å; L62-P154 HydrophobicContact CD1-CB 3.93Å; L62-P154 HydrophobicContact CD1-CG 3.76Å |
| 63 | Y | 93.5 | Very high | 92.5 | Very high | 146 Ų | 146 | 66.4 Ų | 66.4 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 175.7 | 177.7 | -98.3 | 0 | 0 | 0 | 112 | G59 L60 W61 D65 R66 | G59-Y63 PolarHBondContact O-N 3.4Å; L60-Y63 PolarHBondContact O-N 2.88Å; W61-Y63 VanDerWaalsContact C-N 3.27Å; W61-Y63 PolarHBondContact O-N 2.76Å; Y63-D65 VanDerWaalsContact C-N 3.34Å; Y63-R66 WeakPolarHBondContact O-CD 3.43Å; Y63-R66 WeakPolarHBondContact O-CG 3.32Å; Y63-R66 PolarHBondContact OH-NH1 3.31Å |
| 64 | L | 95 | Very high | 92.6 | Very high | 124 Ų | 124 | 64.4 Ų | 64.4 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.6 | -35 | 178.5 | -66.6 | 173.9 | 0 | 0 | 0 | 112.1 | L60 W61 | L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CD1-CG 4.16Å; L60-L64 HydrophobicContact CG-CD1 3.99Å; L60-L64 HydrophobicContact CG-CG 4.46Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.45Å; L60-L64 PolarHBondContact O-N 3.01Å; W61-L64 PolarHBondContact O-N 2.79Å |
| 65 | D | 94.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 4.6 | -175.7 | -166.7 | 50 | 0 | 0 | 0 | 113.6 | W61 Y63 D67 A68 R74 R157 | W61-D65 HydrophobicContact CD2-CB 4.28Å; W61-D65 HydrophobicContact CZ2-CB 4.4Å; W61-D65 WeakPolarHBondContact O-CB 3.48Å; W61-D65 PolarHBondContact O-N 3.39Å; Y63-D65 VanDerWaalsContact C-N 3.34Å; D65-D67 PolarHBondContact O-N 3.25Å; D65-A68 WeakPolarHBondContact O-CB 3.37Å; D65-A68 PolarHBondContact O-N 3.04Å; D65-A68 WeakPolarHBondContact OD1-CB 3.34Å; D65-R74 IonicContact OD1-CZ 3.33Å; D65-R74 IonicContact OD1-NH1 2.69Å; D65-R74 IonicContact OD1-NH2 2.64Å; D65-R74 PolarHBondContact OD1-NH2 2.65Å; D65-R74 IonicContact OD2-CZ 3.16Å; D65-R74 IonicContact OD2-NH1 2.77Å; D65-R74 PolarHBondContact OD2-NH1 3.1Å; D65-R74 IonicContact OD2-NH2 2.67Å; D65-R74 PolarHBondContact OD2-NH2 3.24Å; D65-R74 VanDerWaalsContact OD2-NH2 3.08Å; D65-R157 PolarHBondContact O-NH2 3.01Å; D65-R157 IonicContact OD2-CZ 2.6Å; D65-R157 VanDerWaalsContact OD2-CZ 3.25Å; D65-R157 IonicContact OD2-NH1 2.8Å; D65-R157 PolarHBondContact OD2-NH1 3.21Å; D65-R157 IonicContact OD2-NH2 2.66Å; D65-R157 PolarHBondContact OD2-NH2 3.09Å |
| 66 | R | 92.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -32.5 | -168.7 | 68 | -171.8 | 177.2 | -146.7 | 1 | 114.8 | L62 Y63 P69 | L62-R66 WeakPolarHBondContact O-CA 3.31Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.32Å; Y63-R66 WeakPolarHBondContact O-CD 3.43Å; Y63-R66 WeakPolarHBondContact O-CG 3.32Å; Y63-R66 PolarHBondContact OH-NH1 3.31Å; R66-P69 WeakPolarHBondContact O-CD 3.35Å |
| 67 | D | 94 | Very high | 93.2 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2 | -175.7 | -62.7 | -55.1 | 0 | 0 | 0 | 113.6 | D65 P69 K70 H71 | D65-D67 PolarHBondContact O-N 3.25Å; D67-P69 VanDerWaalsContact C-CD 3.49Å; D67-K70 WeakPolarHBondContact O-CA 3.32Å; D67-K70 WeakPolarHBondContact O-CB 3.1Å; D67-K70 PolarHBondContact O-N 2.88Å; D67-H71 WeakPolarHBondContact CB-ND1 3.3Å; D67-H71 PolarHBondContact O-N 3.2Å; D67-H71 PolarHBondContact O-ND1 2.77Å |
| 68 | A | 94.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -36.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D65 K70 H71 S73 M161 | D65-A68 WeakPolarHBondContact O-CB 3.37Å; D65-A68 PolarHBondContact O-N 3.04Å; D65-A68 WeakPolarHBondContact OD1-CB 3.34Å; A68-K70 PolarHBondContact O-N 3.19Å; A68-H71 CarbonylContact O-C 3.39Å; A68-H71 PolarHBondContact O-N 2.96Å; A68-H71 VanDerWaalsContact O-N 3.15Å; A68-S73 WeakPolarHBondContact O-CA 3.41Å; A68-S73 PolarHBondContact O-N 2.87Å; A68-M161 HydrophobicContact CB-CE 3.33Å; A68-M161 HydrophobicContact CB-SD 4.45Å |
| 69 | P | 94.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.4 | 172 | -22.9 | 34.9 | 0 | 0 | 0 | 113.5 | R66 D67 F151 M161 I166 D167 S172 | R66-P69 WeakPolarHBondContact O-CD 3.35Å; D67-P69 VanDerWaalsContact C-CD 3.49Å; P69-F151 HydrophobicContact CB-CB 4.21Å; P69-F151 HydrophobicContact CB-CD1 3.84Å; P69-F151 HydrophobicContact CB-CD2 3.64Å; P69-F151 HydrophobicContact CB-CE1 4.05Å; P69-F151 HydrophobicContact CB-CE2 3.87Å; P69-F151 HydrophobicContact CB-CG 3.62Å; P69-F151 HydrophobicContact CB-CZ 4.07Å; P69-F151 HydrophobicContact CG-CB 3.76Å; P69-F151 HydrophobicContact CG-CD1 3.79Å; P69-F151 HydrophobicContact CG-CD2 4.16Å; P69-F151 HydrophobicContact CG-CE1 4.41Å; P69-F151 HydrophobicContact CG-CG 3.64Å; P69-M161 HydrophobicContact CG-SD 4.2Å; P69-I166 VanDerWaalsContact O-CA 3.3Å; P69-I166 WeakPolarHBondContact O-CA 3.41Å; P69-I166 VanDerWaalsContact O-CB 3.3Å; P69-I166 WeakPolarHBondContact O-CB 3.31Å; P69-D167 PolarHBondContact O-N 3.03Å; P69-S172 PolarHBondContact O-OG 3.25Å |
| 70 | K | 95 | Very high | 93.6 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 22% | 0.222 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -32.4 | 174.5 | -61.7 | 175.6 | 172.1 | -171.6 | 0 | 112 | D67 A68 G72 D167 E171 S172 | D67-K70 WeakPolarHBondContact O-CA 3.32Å; D67-K70 WeakPolarHBondContact O-CB 3.1Å; D67-K70 PolarHBondContact O-N 2.88Å; A68-K70 PolarHBondContact O-N 3.19Å; K70-G72 PolarHBondContact O-N 3.06Å; K70-D167 HydrophobicContact CG-CB 4.1Å; K70-E171 WeakPolarHBondContact CD-OE2 3.21Å; K70-E171 WeakPolarHBondContact CE-OE2 3.4Å; K70-E171 IonicContact NZ-OE2 2.75Å; K70-E171 PolarHBondContact NZ-OE2 3.41Å; K70-S172 WeakPolarHBondContact CA-OG 3.46Å; K70-S172 VanDerWaalsContact O-CA 3.27Å; K70-S172 WeakPolarHBondContact O-CA 3.26Å; K70-S172 WeakPolarHBondContact O-CB 3.49Å; K70-S172 PolarHBondContact O-OG 3.11Å |
| 71 | H | 93.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 67 Ų | 67 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 47 | -175.5 | -58.4 | 127.7 | 0 | 0 | 0 | 113.7 | D67 A68 S73 W175 | D67-H71 WeakPolarHBondContact CB-ND1 3.3Å; D67-H71 PolarHBondContact O-N 3.2Å; D67-H71 PolarHBondContact O-ND1 2.77Å; A68-H71 CarbonylContact O-C 3.39Å; A68-H71 PolarHBondContact O-N 2.96Å; A68-H71 VanDerWaalsContact O-N 3.15Å; H71-S73 PolarHBondContact O-N 2.8Å; H71-W175 VanDerWaalsContact C-CH2 3.41Å; H71-W175 HydrophobicContact CB-CD2 4.27Å; H71-W175 HydrophobicContact CB-CH2 4.42Å; H71-W175 HydrophobicContact CB-CZ2 4.01Å; H71-W175 AromaticContact CD2-CD1 3.39Å; H71-W175 AromaticContact CD2-CE2 3.91Å; H71-W175 AromaticContact CD2-CG 3.7Å; H71-W175 AromaticContact CD2-NE1 3.48Å; H71-W175 PolarHBondContact CD2-NE1 3.12Å; H71-W175 WeakPolarHBondContact O-CH2 3.27Å; H71-W175 WeakPolarHBondContact O-CZ3 3.33Å |
| 72 | G | 86.7 | Confident | 93.8 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 4.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K70 Y143 W175 | K70-G72 PolarHBondContact O-N 3.06Å; G72-Y143 WeakPolarHBondContact O-CE1 3.43Å; G72-W175 VanDerWaalsContact N-CZ3 3.3Å |
| 73 | S | 90.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 68.9 Ų | 68.9 | 11% | 0.112 | 33% | 0.328 | C | S | . | . | trans | 61.7 | -158.1 | 171.3 | -153.6 | 0 | 0 | 0 | 0 | 113.3 | A68 H71 M161 L165 | A68-S73 WeakPolarHBondContact O-CA 3.41Å; A68-S73 PolarHBondContact O-N 2.87Å; H71-S73 PolarHBondContact O-N 2.8Å; S73-M161 WeakPolarHBondContact OG-CA 3.47Å; S73-M161 WeakPolarHBondContact OG-CB 3.38Å; S73-M161 WeakPolarHBondContact OG-CG 3.38Å; S73-M161 PolarHBondContact OG-O 2.82Å; S73-M161 VanDerWaalsContact OG-O 3.06Å; S73-L165 WeakPolarHBondContact CB-O 3.41Å; S73-L165 PolarHBondContact OG-O 3.35Å | ||
| 74 | R | 93 | Very high | 94 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | trans | -137.9 | 68.9 | 177.5 | -66.8 | 179.8 | -173.1 | 134.2 | -7.1 | 111.3 | D65 L76 E158 M161 C162 | D65-R74 IonicContact OD1-CZ 3.33Å; D65-R74 IonicContact OD1-NH1 2.69Å; D65-R74 IonicContact OD1-NH2 2.64Å; D65-R74 PolarHBondContact OD1-NH2 2.65Å; D65-R74 IonicContact OD2-CZ 3.16Å; D65-R74 IonicContact OD2-NH1 2.77Å; D65-R74 PolarHBondContact OD2-NH1 3.1Å; D65-R74 IonicContact OD2-NH2 2.67Å; D65-R74 PolarHBondContact OD2-NH2 3.24Å; D65-R74 VanDerWaalsContact OD2-NH2 3.08Å; R74-L76 PolarHBondContact O-N 3.12Å; R74-E158 IonicContact NH1-OE2 3.71Å; R74-E158 PolarHBondContact NH1-OE2 3.2Å; R74-M161 CarbonylContact C-O 3.51Å; R74-M161 HydrophobicContact CB-CE 4.36Å; R74-M161 HydrophobicContact CG-CE 3.94Å; R74-M161 PolarHBondContact N-O 3.43Å; R74-M161 VanDerWaalsContact O-O 3.12Å; R74-C162 WeakPolarHBondContact O-CA 3.38Å | ||
| 75 | P | 93.2 | Very high | 94 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | trans | -66.6 | 137.7 | -173.6 | 28.6 | -36.3 | 0 | 0 | 0 | 112.8 | Y143 N164 | P75-Y143 HydrophobicContact CG-CE1 4.5Å; P75-N164 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 76 | L | 95.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | trans | -118.9 | 103.1 | 177.6 | -66.1 | -177.5 | 0 | 0 | 0 | 109.7 | R74 L78 I79 R80 C162 | R74-L76 PolarHBondContact O-N 3.12Å; L76-L78 PolarHBondContact O-N 3.3Å; L76-L78 VanDerWaalsContact O-N 3.11Å; L76-I79 HydrophobicContact CB-CB 4.33Å; L76-I79 HydrophobicContact CB-CD1 4.13Å; L76-I79 HydrophobicContact CB-CG1 4.11Å; L76-I79 HydrophobicContact CD1-CD1 3.78Å; L76-I79 HydrophobicContact CD1-CG1 4.47Å; L76-I79 PolarHBondContact O-N 2.87Å; L76-R80 PolarHBondContact O-N 3.45Å; L76-R80 VanDerWaalsContact O-N 3.11Å; L76-C162 HydrophobicContact CB-CB 4.2Å; L76-C162 HydrophobicContact CD1-CB 4.49Å; L76-C162 HydrophobicContact CG-CB 4.39Å; L76-C162 PolarHBondContact N-O 2.96Å | ||
| 77 | N | 93.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57 | -30.4 | -177.9 | -76.6 | -28.5 | 0 | 0 | 0 | 113.4 | R80 R81 | N77-R80 PolarHBondContact O-N 3.06Å; N77-R80 PolarHBondContact OD1-NH1 2.91Å; N77-R81 WeakPolarHBondContact O-CB 3.46Å; N77-R81 VanDerWaalsContact O-CG 3.28Å; N77-R81 WeakPolarHBondContact O-CG 3.19Å; N77-R81 PolarHBondContact O-N 3.07Å; N77-R81 VanDerWaalsContact O-N 3.16Å |
| 78 | L | 95.2 | Very high | 94.6 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 73% | 0.728 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 174.9 | -178 | 62.5 | 0 | 0 | 0 | 111.5 | L76 R81 W82 | L76-L78 PolarHBondContact O-N 3.3Å; L76-L78 VanDerWaalsContact O-N 3.11Å; L78-R81 PolarHBondContact O-N 3.2Å; L78-W82 PolarHBondContact O-N 2.86Å |
| 79 | I | 94.2 | Very high | 94.8 | Very high | 22 Ų | 22 | 57 Ų | 57 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | -180 | -61.6 | -176.6 | 0 | 0 | 0 | 110.5 | L76 R81 W82 Y85 Y159 C162 F163 | L76-I79 HydrophobicContact CB-CB 4.33Å; L76-I79 HydrophobicContact CB-CD1 4.13Å; L76-I79 HydrophobicContact CB-CG1 4.11Å; L76-I79 HydrophobicContact CD1-CD1 3.78Å; L76-I79 HydrophobicContact CD1-CG1 4.47Å; L76-I79 PolarHBondContact O-N 2.87Å; I79-R81 PolarHBondContact O-N 3.46Å; I79-R81 VanDerWaalsContact O-N 3.12Å; I79-W82 HydrophobicContact CD1-CZ2 4.48Å; I79-W82 HydrophobicContact CG1-CH2 4.49Å; I79-W82 HydrophobicContact CG1-CZ2 3.9Å; I79-W82 HydrophobicContact CG2-CD2 4.19Å; I79-W82 HydrophobicContact CG2-CE3 4.22Å; I79-W82 HydrophobicContact CG2-CZ2 4.48Å; I79-W82 HydrophobicContact CG2-CZ3 4.39Å; I79-W82 WeakPolarHBondContact O-CB 3.39Å; I79-W82 PolarHBondContact O-N 3.47Å; I79-W82 VanDerWaalsContact O-N 3.07Å; I79-Y85 WeakPolarHBondContact O-CE2 3.26Å; I79-Y159 HydrophobicContact CG2-CE2 4.38Å; I79-C162 HydrophobicContact CB-CB 4.44Å; I79-C162 HydrophobicContact CD1-CB 3.87Å; I79-C162 HydrophobicContact CG2-CB 4.39Å; I79-F163 HydrophobicContact CG2-CE1 3.62Å; I79-F163 HydrophobicContact CG2-CE2 4.08Å; I79-F163 HydrophobicContact CG2-CZ 3.27Å |
| 80 | R | 95.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -24.2 | 176.2 | -63.4 | 178.2 | 61.9 | -125.2 | -7.3 | 112.9 | L76 N77 S127 E129 C162 F163 N164 | L76-R80 PolarHBondContact O-N 3.45Å; L76-R80 VanDerWaalsContact O-N 3.11Å; N77-R80 PolarHBondContact O-N 3.06Å; N77-R80 PolarHBondContact OD1-NH1 2.91Å; R80-S127 WeakPolarHBondContact CG-O 3.33Å; R80-S127 PolarHBondContact NE-O 2.93Å; R80-E129 HydrophobicContact CB-CG 4.46Å; R80-E129 IonicContact CZ-OE1 3.2Å; R80-E129 IonicContact NH1-OE1 3.08Å; R80-E129 PolarHBondContact NH1-OE1 2.92Å; R80-E129 IonicContact NH2-OE1 2.61Å; R80-E129 PolarHBondContact NH2-OE1 3.49Å; R80-E129 PolarHBondContact O-N 3.43Å; R80-C162 WeakPolarHBondContact CG-O 3.32Å; R80-F163 HydrophobicContact CG-CD1 4.29Å; R80-N164 PolarHBondContact NE-ND2 2.8Å; R80-N164 PolarHBondContact NH2-ND2 3.03Å |
| 81 | R | 96.5 | Very high | 95 | Very high | 136 Ų | 136 | 56 Ų | 56 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 2.2 | 179.3 | -71.6 | 175.5 | 179.2 | -129 | -3 | 114.5 | N77 L78 I79 R86 E129 | N77-R81 WeakPolarHBondContact O-CB 3.46Å; N77-R81 VanDerWaalsContact O-CG 3.28Å; N77-R81 WeakPolarHBondContact O-CG 3.19Å; N77-R81 PolarHBondContact O-N 3.07Å; N77-R81 VanDerWaalsContact O-N 3.16Å; L78-R81 PolarHBondContact O-N 3.2Å; I79-R81 PolarHBondContact O-N 3.46Å; I79-R81 VanDerWaalsContact O-N 3.12Å; R81-R86 PolarHBondContact O-NH2 2.9Å; R81-E129 HydrophobicContact CG-CB 3.8Å; R81-E129 HydrophobicContact CG-CG 3.88Å |
| 82 | W | 96 | Very high | 95.2 | Very high | 112 Ų | 112 | 52.5 Ų | 52.5 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | trans | -56.2 | 139.7 | 178.8 | -77.6 | 0.9 | 0 | 0 | 0 | 112 | L78 I79 I84 Y85 Y159 | L78-W82 PolarHBondContact O-N 2.86Å; I79-W82 HydrophobicContact CD1-CZ2 4.48Å; I79-W82 HydrophobicContact CG1-CH2 4.49Å; I79-W82 HydrophobicContact CG1-CZ2 3.9Å; I79-W82 HydrophobicContact CG2-CD2 4.19Å; I79-W82 HydrophobicContact CG2-CE3 4.22Å; I79-W82 HydrophobicContact CG2-CZ2 4.48Å; I79-W82 HydrophobicContact CG2-CZ3 4.39Å; I79-W82 WeakPolarHBondContact O-CB 3.39Å; I79-W82 PolarHBondContact O-N 3.47Å; I79-W82 VanDerWaalsContact O-N 3.07Å; W82-I84 HydrophobicContact CB-CG2 3.99Å; W82-I84 HydrophobicContact CE3-CG2 4.43Å; W82-I84 PolarHBondContact O-N 2.78Å; W82-I84 VanDerWaalsContact O-N 3.15Å; W82-Y85 HydrophobicContact CB-CD2 4.07Å; W82-Y85 HydrophobicContact CB-CE2 4.13Å; W82-Y85 PolarHBondContact O-N 3.01Å; W82-Y85 VanDerWaalsContact O-N 3.14Å; W82-Y159 HydrophobicContact CZ3-CE2 4.26Å | ||
| 83 | S | 95.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -26.3 | -178 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | Y85 R86 H87 | S83-Y85 PolarHBondContact O-N 3.08Å; S83-R86 WeakPolarHBondContact O-CB 3.43Å; S83-R86 PolarHBondContact O-N 3.44Å; S83-R86 VanDerWaalsContact O-N 3.08Å; S83-H87 PolarHBondContact O-CD2 2.92Å; S83-H87 PolarHBondContact O-N 3.25Å; S83-H87 VanDerWaalsContact O-N 3.08Å |
| 84 | I | 95.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.8 | -36.6 | 176.2 | -162.7 | 169.6 | 0 | 0 | 0 | 112 | A24 H27 W82 H87 M88 | A24-I84 HydrophobicContact CB-CD1 4.44Å; A24-I84 HydrophobicContact CB-CG1 3.51Å; A24-I84 WeakPolarHBondContact CB-O 3.4Å; H27-I84 HydrophobicContact CB-CD1 3.99Å; W82-I84 HydrophobicContact CB-CG2 3.99Å; W82-I84 HydrophobicContact CE3-CG2 4.43Å; W82-I84 PolarHBondContact O-N 2.78Å; W82-I84 VanDerWaalsContact O-N 3.15Å; I84-H87 CarbonylContact O-C 3.46Å; I84-H87 WeakPolarHBondContact O-CB 3.28Å; I84-H87 PolarHBondContact O-N 3.47Å; I84-M88 PolarHBondContact O-N 3.26Å |
| 85 | Y | 96 | Very high | 96.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.8 | -27 | -179.6 | -59.1 | -61.7 | 0 | 0 | 0 | 113.2 | H27 I79 W82 S83 H87 M88 R89 F123 T128 A130 Y159 F163 | H27-Y85 PolarHBondContact CE1-OH 2.96Å; I79-Y85 WeakPolarHBondContact O-CE2 3.26Å; W82-Y85 HydrophobicContact CB-CD2 4.07Å; W82-Y85 HydrophobicContact CB-CE2 4.13Å; W82-Y85 PolarHBondContact O-N 3.01Å; W82-Y85 VanDerWaalsContact O-N 3.14Å; S83-Y85 PolarHBondContact O-N 3.08Å; Y85-H87 VanDerWaalsContact C-N 3.33Å; Y85-M88 HydrophobicContact CD1-CE 4.26Å; Y85-M88 HydrophobicContact CD1-SD 4.33Å; Y85-M88 WeakPolarHBondContact O-CB 3.27Å; Y85-M88 PolarHBondContact O-N 3.41Å; Y85-R89 PolarHBondContact O-N 3.14Å; Y85-F123 AromaticContact CD1-CE1 3.92Å; Y85-F123 HydrophobicContact CD1-CE1 3.92Å; Y85-F123 AromaticContact CE1-CE1 3.63Å; Y85-F123 HydrophobicContact CE1-CE1 3.63Å; Y85-F123 AromaticContact CE1-CZ 3.95Å; Y85-F123 HydrophobicContact CE1-CZ 3.95Å; Y85-T128 HydrophobicContact CD1-CG2 3.78Å; Y85-T128 HydrophobicContact CD2-CG2 4.04Å; Y85-T128 HydrophobicContact CE1-CG2 4.27Å; Y85-T128 HydrophobicContact CG-CG2 3.66Å; Y85-A130 VanDerWaalsContact O-CB 3.3Å; Y85-A130 WeakPolarHBondContact O-CB 3.45Å; Y85-Y159 PolarHBondContact OH-OH 3.2Å; Y85-F163 HydrophobicContact CD2-CE1 4.32Å; Y85-F163 HydrophobicContact CE1-CE1 4.34Å; Y85-F163 AromaticContact CE2-CE1 3.37Å; Y85-F163 HydrophobicContact CE2-CE1 3.37Å; Y85-F163 AromaticContact CE2-CZ 3.82Å; Y85-F163 HydrophobicContact CE2-CZ 3.82Å; Y85-F163 AromaticContact CZ-CE1 3.39Å; Y85-F163 AromaticContact CZ-CZ 3.56Å; Y85-F163 VanDerWaalsContact OH-CE1 3.27Å; Y85-F163 WeakPolarHBondContact OH-CE1 3.44Å; Y85-F163 WeakPolarHBondContact OH-CZ 3.46Å |
| 86 | R | 97.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 166.8 | -72 | -173.5 | -89 | -83.4 | -3.8 | 111.1 | R81 S83 R89 D90 | R81-R86 PolarHBondContact O-NH2 2.9Å; S83-R86 WeakPolarHBondContact O-CB 3.43Å; S83-R86 PolarHBondContact O-N 3.44Å; S83-R86 VanDerWaalsContact O-N 3.08Å; R86-R89 PolarHBondContact O-N 2.71Å; R86-D90 WeakPolarHBondContact O-CB 3.31Å; R86-D90 VanDerWaalsContact O-CG 3.29Å; R86-D90 PolarHBondContact O-N 2.81Å |
| 87 | H | 97.7 | Very high | 96.7 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 171.9 | -66.5 | -51.1 | 0 | 0 | 0 | 112.5 | Q21 A24 S83 I84 Y85 D90 Y91 | Q21-H87 HydrophobicContact CG-CB 4.3Å; Q21-H87 VanDerWaalsContact CG-O 3.31Å; Q21-H87 WeakPolarHBondContact CG-O 3.29Å; A24-H87 HydrophobicContact CB-CB 3.87Å; S83-H87 PolarHBondContact O-CD2 2.92Å; S83-H87 PolarHBondContact O-N 3.25Å; S83-H87 VanDerWaalsContact O-N 3.08Å; I84-H87 CarbonylContact O-C 3.46Å; I84-H87 WeakPolarHBondContact O-CB 3.28Å; I84-H87 PolarHBondContact O-N 3.47Å; Y85-H87 VanDerWaalsContact C-N 3.33Å; H87-D90 PolarHBondContact O-N 3.03Å; H87-Y91 PolarHBondContact O-N 3.1Å |
| 88 | M | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 172.9 | -171.6 | -177.6 | 78.7 | 0 | 0 | 111.4 | A24 V25 Y28 I84 Y85 D90 Y91 F92 F123 C124 | A24-M88 HydrophobicContact CB-CB 4.03Å; V25-M88 HydrophobicContact CG2-CG 4.05Å; Y28-M88 HydrophobicContact CD2-SD 4.41Å; Y28-M88 HydrophobicContact CG-SD 4.09Å; I84-M88 PolarHBondContact O-N 3.26Å; Y85-M88 HydrophobicContact CD1-CE 4.26Å; Y85-M88 HydrophobicContact CD1-SD 4.33Å; Y85-M88 WeakPolarHBondContact O-CB 3.27Å; Y85-M88 PolarHBondContact O-N 3.41Å; M88-D90 VanDerWaalsContact C-N 3.33Å; M88-D90 PolarHBondContact O-N 3.45Å; M88-Y91 VanDerWaalsContact O-CB 3.26Å; M88-Y91 WeakPolarHBondContact O-CB 3.45Å; M88-Y91 PolarHBondContact O-N 2.87Å; M88-Y91 VanDerWaalsContact O-N 3.09Å; M88-F92 HydrophobicContact CG-CE2 4.42Å; M88-F92 WeakPolarHBondContact O-CD2 3.38Å; M88-F123 HydrophobicContact CE-CD1 3.64Å; M88-F123 HydrophobicContact CE-CE1 4.03Å; M88-F123 HydrophobicContact SD-CD1 4.19Å; M88-F123 HydrophobicContact SD-CE1 4.31Å; M88-C124 HydrophobicContact CE-CB 3.55Å |
| 89 | R | 97.9 | Very high | 97 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.7 | -50 | 173.4 | 179.9 | -157.8 | 60.2 | -173.3 | 8.8 | 111.5 | Y85 R86 Y91 F92 P93 I94 A130 N131 | Y85-R89 PolarHBondContact O-N 3.14Å; R86-R89 PolarHBondContact O-N 2.71Å; R89-Y91 PolarHBondContact O-N 3.04Å; R89-F92 PolarHBondContact O-N 2.57Å; R89-P93 CarbonylContact O-C 3.6Å; R89-P93 WeakPolarHBondContact O-CA 3.46Å; R89-I94 HydrophobicContact CG-CB 4.08Å; R89-I94 VanDerWaalsContact CG-O 3.29Å; R89-I94 WeakPolarHBondContact CG-O 3.41Å; R89-I94 PolarHBondContact O-N 3.08Å; R89-A130 HydrophobicContact CB-CB 4.18Å; R89-A130 WeakPolarHBondContact CD-O 3.33Å; R89-A130 PolarHBondContact NH1-O 2.89Å; R89-N131 WeakPolarHBondContact CD-OD1 3.18Å |
| 90 | D | 97.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 45 Ų | 45 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.6 | -12.2 | -178.6 | -69.5 | 6.6 | 0 | 0 | 0 | 113.5 | R17 Q21 R86 H87 M88 P93 | R17-D90 IonicContact CZ-OD2 2.78Å; R17-D90 IonicContact NE-OD2 3.25Å; R17-D90 IonicContact NH2-OD2 3.81Å; R17-D90 PolarHBondContact NH2-OD2 3.1Å; Q21-D90 HydrophobicContact CG-CB 4.22Å; Q21-D90 PolarHBondContact NE2-O 3.42Å; R86-D90 WeakPolarHBondContact O-CB 3.31Å; R86-D90 VanDerWaalsContact O-CG 3.29Å; R86-D90 PolarHBondContact O-N 2.81Å; H87-D90 PolarHBondContact O-N 3.03Å; M88-D90 VanDerWaalsContact C-N 3.33Å; M88-D90 PolarHBondContact O-N 3.45Å; D90-P93 WeakPolarHBondContact O-CD 3.31Å |
| 91 | Y | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -45 | 174.2 | -178.8 | -85.6 | 0 | 0 | 0 | 111.1 | Q21 V25 H87 M88 R89 R269 P280 R282 | Q21-Y91 HydrophobicContact CB-CD2 3.92Å; Q21-Y91 HydrophobicContact CB-CG 4.47Å; Q21-Y91 WeakPolarHBondContact O-CD2 3.47Å; V25-Y91 HydrophobicContact CB-CD2 4.33Å; V25-Y91 HydrophobicContact CB-CE2 4.4Å; V25-Y91 HydrophobicContact CB-CG 4.39Å; V25-Y91 HydrophobicContact CG1-CE1 4.37Å; V25-Y91 HydrophobicContact CG2-CD1 3.61Å; V25-Y91 HydrophobicContact CG2-CD2 3.74Å; V25-Y91 HydrophobicContact CG2-CE1 4.1Å; V25-Y91 HydrophobicContact CG2-CE2 4.22Å; V25-Y91 HydrophobicContact CG2-CG 3.39Å; H87-Y91 PolarHBondContact O-N 3.1Å; M88-Y91 VanDerWaalsContact O-CB 3.26Å; M88-Y91 WeakPolarHBondContact O-CB 3.45Å; M88-Y91 PolarHBondContact O-N 2.87Å; M88-Y91 VanDerWaalsContact O-N 3.09Å; R89-Y91 PolarHBondContact O-N 3.04Å; Y91-R269 PolarHBondContact OH-NE 3.44Å; Y91-R269 PolarHBondContact OH-NH2 3.44Å; Y91-P280 HydrophobicContact CE1-CG 4.24Å; Y91-P280 WeakPolarHBondContact CE1-O 3.49Å; Y91-P280 PolarHBondContact OH-O 2.87Å; Y91-R282 HydrophobicContact CD1-CG 3.79Å; Y91-R282 HydrophobicContact CD2-CG 4.14Å; Y91-R282 VanDerWaalsContact CD2-NH2 3.28Å; Y91-R282 HydrophobicContact CE1-CB 4.35Å; Y91-R282 HydrophobicContact CE1-CG 3.44Å; Y91-R282 VanDerWaalsContact CE1-CG 3.44Å; Y91-R282 HydrophobicContact CE2-CG 3.81Å; Y91-R282 VanDerWaalsContact CE2-CZ 3.41Å; Y91-R282 VanDerWaalsContact CE2-NE 3.35Å; Y91-R282 HydrophobicContact CG-CG 4.14Å; Y91-R282 VanDerWaalsContact CZ-CG 3.46Å; Y91-R282 WeakPolarHBondContact O-CG 3.36Å |
| 92 | F | 97.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -22.2 | -179.1 | -62.8 | -76.7 | 0 | 0 | 0 | 112.6 | V25 M88 R89 I94 F120 V236 P280 H281 R283 P284 I285 | V25-F92 HydrophobicContact CG1-CE2 4.44Å; V25-F92 HydrophobicContact CG1-CZ 4.16Å; V25-F92 HydrophobicContact CG2-CD2 4.43Å; V25-F92 HydrophobicContact CG2-CE2 3.62Å; V25-F92 HydrophobicContact CG2-CZ 4.07Å; M88-F92 HydrophobicContact CG-CE2 4.42Å; M88-F92 WeakPolarHBondContact O-CD2 3.38Å; R89-F92 PolarHBondContact O-N 2.57Å; F92-I94 HydrophobicContact CB-CD1 4.32Å; F92-I94 HydrophobicContact CB-CG1 3.66Å; F92-I94 HydrophobicContact CD2-CD1 3.88Å; F92-I94 HydrophobicContact CD2-CG1 4.15Å; F92-I94 HydrophobicContact CG-CD1 4.4Å; F92-I94 HydrophobicContact CG-CG1 4.27Å; F92-F120 HydrophobicContact CE2-CB 4.25Å; F92-F120 AromaticContact CE2-CD1 3.64Å; F92-F120 HydrophobicContact CE2-CD1 3.64Å; F92-F120 HydrophobicContact CE2-CE1 4.15Å; F92-F120 HydrophobicContact CE2-CG 4.01Å; F92-F120 HydrophobicContact CZ-CB 4.39Å; F92-F120 AromaticContact CZ-CD1 3.6Å; F92-F120 HydrophobicContact CZ-CD1 3.6Å; F92-F120 HydrophobicContact CZ-CD2 4.18Å; F92-F120 AromaticContact CZ-CE1 3.78Å; F92-F120 HydrophobicContact CZ-CE1 3.78Å; F92-F120 HydrophobicContact CZ-CE2 4.35Å; F92-F120 AromaticContact CZ-CG 3.81Å; F92-F120 HydrophobicContact CZ-CG 3.81Å; F92-F120 HydrophobicContact CZ-CZ 4.2Å; F92-V236 HydrophobicContact CD1-CG1 3.83Å; F92-V236 HydrophobicContact CE1-CB 4.06Å; F92-V236 HydrophobicContact CE1-CG1 3.79Å; F92-P280 HydrophobicContact CE1-CB 3.82Å; F92-P280 HydrophobicContact CE1-CG 3.6Å; F92-P280 HydrophobicContact CZ-CB 4.08Å; F92-P280 HydrophobicContact CZ-CG 3.35Å; F92-H281 WeakPolarHBondContact CE1-O 3.42Å; F92-R283 CarbonylContact C-O 3.55Å; F92-R283 WeakPolarHBondContact CA-O 3.32Å; F92-R283 VanDerWaalsContact CB-O 3.26Å; F92-R283 WeakPolarHBondContact CB-O 3.39Å; F92-R283 CarbonylContact O-C 3.59Å; F92-P284 WeakPolarHBondContact O-CA 3.25Å; F92-I285 HydrophobicContact CB-CD1 4.33Å; F92-I285 HydrophobicContact CB-CG1 4.48Å; F92-I285 HydrophobicContact CD1-CD1 4.29Å; F92-I285 HydrophobicContact CG-CD1 4.21Å |
| 93 | P | 97.5 | Very high | 97.4 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.8 | 85 | -134.8 | -24.7 | 0.6 | 0 | 0 | 0 | 116.7 | R89 D90 H95 P284 I285 | R89-P93 CarbonylContact O-C 3.6Å; R89-P93 WeakPolarHBondContact O-CA 3.46Å; D90-P93 WeakPolarHBondContact O-CD 3.31Å; P93-H95 PolarHBondContact O-CD2 3.37Å; P93-P284 HydrophobicContact CB-CB 4.48Å; P93-P284 WeakPolarHBondContact O-CA 3.16Å; P93-I285 PolarHBondContact O-N 3.49Å |
| 94 | I | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.3 | 171.7 | -50.9 | -175.8 | 0 | 0 | 0 | 110.1 | R89 F92 F120 C124 N131 I285 | R89-I94 HydrophobicContact CG-CB 4.08Å; R89-I94 VanDerWaalsContact CG-O 3.29Å; R89-I94 WeakPolarHBondContact CG-O 3.41Å; R89-I94 PolarHBondContact O-N 3.08Å; F92-I94 HydrophobicContact CB-CD1 4.32Å; F92-I94 HydrophobicContact CB-CG1 3.66Å; F92-I94 HydrophobicContact CD2-CD1 3.88Å; F92-I94 HydrophobicContact CD2-CG1 4.15Å; F92-I94 HydrophobicContact CG-CD1 4.4Å; F92-I94 HydrophobicContact CG-CG1 4.27Å; I94-F120 HydrophobicContact CD1-CB 4.45Å; I94-C124 HydrophobicContact CD1-CB 3.49Å; I94-C124 VanDerWaalsContact CD1-CB 3.49Å; I94-C124 HydrophobicContact CG2-CB 4.19Å; I94-N131 PolarHBondContact O-ND2 2.83Å; I94-N131 PolarHBondContact O-OD1 2.84Å; I94-I285 CarbonylContact C-O 3.53Å; I94-I285 WeakPolarHBondContact CA-O 3.41Å; I94-I285 HydrophobicContact CD1-CD1 4.23Å; I94-I285 HydrophobicContact CG1-CB 4.26Å; I94-I285 HydrophobicContact CG1-CD1 4.24Å; I94-I285 HydrophobicContact CG2-CB 4.4Å |
| 95 | H | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.6 | 178.4 | -63 | -87 | 0 | 0 | 0 | 111.5 | P93 I285 Y286 C287 | P93-H95 PolarHBondContact O-CD2 3.37Å; H95-I285 PolarHBondContact N-O 3.34Å; H95-Y286 HydrophobicContact CB-CD1 3.67Å; H95-Y286 HydrophobicContact CB-CE1 4.1Å; H95-Y286 AromaticContact CD2-CD1 3.69Å; H95-Y286 AromaticContact CD2-CE1 3.28Å; H95-Y286 WeakPolarHBondContact CD2-CE1 3.34Å; H95-Y286 AromaticContact CD2-CZ 3.9Å; H95-Y286 AromaticContact CG-CD1 3.83Å; H95-Y286 AromaticContact CG-CE1 3.72Å; H95-Y286 AromaticContact NE2-CE1 3.92Å; H95-C287 PolarHBondContact O-N 3.24Å |
| 96 | L | 98.2 | Very high | 97.7 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.3 | 171.2 | -175.9 | 61 | 0 | 0 | 0 | 108.9 | N125 N131 F133 V136 F137 C287 I289 | L96-N125 HydrophobicContact CD1-CB 4.17Å; L96-N131 HydrophobicContact CB-CB 4.2Å; L96-F133 HydrophobicContact CD2-CD2 3.77Å; L96-F133 HydrophobicContact CD2-CE2 4.46Å; L96-V136 HydrophobicContact CD2-CB 4.22Å; L96-V136 HydrophobicContact CD2-CG1 4.17Å; L96-V136 HydrophobicContact CD2-CG2 4.26Å; L96-F137 HydrophobicContact CD2-CE2 4.29Å; L96-C287 HydrophobicContact CD1-CB 4.48Å; L96-I289 HydrophobicContact CD1-CD1 3.52Å; L96-I289 HydrophobicContact CD1-CG1 4.07Å; L96-I289 HydrophobicContact CG-CD1 4.49Å |
| 97 | V | 98.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 109 | -177.8 | -177.2 | 0 | 0 | 0 | 0 | 109 | C287 V288 I289 Y324 Y328 | V97-C287 PolarHBondContact N-O 2.74Å; V97-V288 HydrophobicContact CB-CB 4.39Å; V97-V288 HydrophobicContact CB-CG1 4.37Å; V97-V288 HydrophobicContact CB-CG2 4.11Å; V97-V288 HydrophobicContact CG1-CG1 4.26Å; V97-V288 HydrophobicContact CG1-CG2 4.46Å; V97-V288 HydrophobicContact CG2-CG2 4.43Å; V97-I289 PolarHBondContact O-N 3.33Å; V97-Y324 HydrophobicContact CG1-CE1 4.48Å; V97-Y328 HydrophobicContact CG2-CE2 4.13Å |
| 98 | K | 97.5 | Very high | 97.8 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.6 | 176.3 | 178.5 | -179.6 | -170.9 | 178 | 0 | 110.3 | A100 E101 V136 F137 | K98-A100 WeakPolarHBondContact CE-O 3.39Å; K98-A100 WeakPolarHBondContact CG-O 3.45Å; K98-E101 WeakPolarHBondContact CE-OE1 3.45Å; K98-E101 VanDerWaalsContact CE-OE2 3.31Å; K98-E101 WeakPolarHBondContact CE-OE2 3.5Å; K98-E101 IonicContact NZ-OE1 3.73Å; K98-E101 PolarHBondContact NZ-OE1 2.79Å; K98-E101 IonicContact NZ-OE2 3.32Å; K98-E101 PolarHBondContact NZ-OE2 3.13Å; K98-V136 HydrophobicContact CB-CG1 3.88Å; K98-V136 HydrophobicContact CD-CG1 3.9Å; K98-V136 WeakPolarHBondContact CE-O 3.3Å; K98-V136 HydrophobicContact CG-CG1 4.38Å; K98-V136 PolarHBondContact NZ-O 2.89Å; K98-F137 HydrophobicContact CB-CZ 3.99Å; K98-F137 HydrophobicContact CD-CD1 4.46Å; K98-F137 HydrophobicContact CD-CE1 3.95Å; K98-F137 HydrophobicContact CD-CZ 4.16Å; K98-F137 HydrophobicContact CG-CE1 3.74Å; K98-F137 HydrophobicContact CG-CZ 3.68Å |
| 99 | T | 97.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | trans | -111.7 | -15.2 | 176 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | V288 I289 G290 L320 Y324 | T99-V288 HydrophobicContact CG2-CG1 3.52Å; T99-I289 VanDerWaalsContact CB-O 3.3Å; T99-I289 WeakPolarHBondContact CB-O 3.41Å; T99-I289 VanDerWaalsContact CG2-O 3.26Å; T99-I289 WeakPolarHBondContact CG2-O 3.33Å; T99-I289 PolarHBondContact N-O 3.01Å; T99-I289 PolarHBondContact OG1-O 3.34Å; T99-G290 VanDerWaalsContact OG1-C 3.31Å; T99-G290 VanDerWaalsContact OG1-CA 3.22Å; T99-G290 WeakPolarHBondContact OG1-CA 3.46Å; T99-L320 HydrophobicContact CG2-CD1 4.35Å; T99-Y324 HydrophobicContact CG2-CE2 3.93Å; T99-Y324 WeakPolarHBondContact CG2-OH 3.07Å | ||
| 100 | A | 96.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -150.9 | 160.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K98 F137 K291 | K98-A100 WeakPolarHBondContact CE-O 3.39Å; K98-A100 WeakPolarHBondContact CG-O 3.45Å; A100-F137 WeakPolarHBondContact O-CE1 3.48Å; A100-K291 HydrophobicContact CB-CB 4.15Å |
| 101 | E | 97.2 | Very high | 97.9 | Very high | 131 Ų | 131 | 36.9 Ų | 36.9 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | trans | -73.5 | 151.5 | 168.1 | -65.3 | -59 | 143.6 | 0 | 0 | 111 | K98 | K98-E101 WeakPolarHBondContact CE-OE1 3.45Å; K98-E101 VanDerWaalsContact CE-OE2 3.31Å; K98-E101 WeakPolarHBondContact CE-OE2 3.5Å; K98-E101 IonicContact NZ-OE1 3.73Å; K98-E101 PolarHBondContact NZ-OE1 2.79Å; K98-E101 IonicContact NZ-OE2 3.32Å; K98-E101 PolarHBondContact NZ-OE2 3.13Å | ||
| 102 | L | 98 | Very high | 98 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -116.9 | 121 | 169.7 | -62.1 | -178.4 | 0 | 0 | 0 | 107.4 | P104 Y108 F137 I140 V226 P292 | L102-P104 WeakPolarHBondContact O-CD 3.39Å; L102-Y108 HydrophobicContact CB-CD2 4.45Å; L102-Y108 HydrophobicContact CB-CE2 3.82Å; L102-Y108 HydrophobicContact CD2-CD1 4.08Å; L102-Y108 HydrophobicContact CD2-CE1 3.76Å; L102-Y108 HydrophobicContact CD2-CE2 4.44Å; L102-F137 HydrophobicContact CB-CD1 3.99Å; L102-F137 HydrophobicContact CD1-CD1 3.65Å; L102-F137 HydrophobicContact CD1-CE1 3.82Å; L102-F137 HydrophobicContact CD1-CG 4.19Å; L102-F137 HydrophobicContact CG-CD1 3.65Å; L102-F137 HydrophobicContact CG-CE1 3.73Å; L102-I140 HydrophobicContact CB-CD1 3.93Å; L102-I140 HydrophobicContact CB-CG1 3.82Å; L102-I140 HydrophobicContact CD1-CG1 4.39Å; L102-I140 HydrophobicContact CD1-CG2 4.48Å; L102-V226 HydrophobicContact CD2-CG2 4.09Å; L102-P292 HydrophobicContact CD2-CB 4.34Å; L102-P292 HydrophobicContact CD2-CG 4.37Å | ||
| 103 | D | 97.8 | Very high | 98 | Very high | 73 Ų | 73 | 36.6 Ų | 36.6 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | trans | -71.3 | 117.8 | 179 | 178.9 | -1.5 | 0 | 0 | 0 | 110.4 | S105 R106 Y108 | D103-S105 PolarHBondContact O-N 3.49Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CB 3.25Å; D103-S105 WeakPolarHBondContact OD1-CB 3.4Å; D103-S105 PolarHBondContact OD1-N 2.97Å; D103-S105 PolarHBondContact OD1-OG 2.82Å; D103-S105 PolarHBondContact OD2-OG 2.8Å; D103-R106 HydrophobicContact CB-CG 4.29Å; D103-R106 PolarHBondContact O-N 3.49Å; D103-Y108 PolarHBondContact N-OH 3.14Å; D103-Y108 WeakPolarHBondContact O-CE2 3.34Å; D103-Y108 PolarHBondContact O-OH 3.49Å | ||
| 104 | P | 97.8 | Very high | 98 | Very high | 64 Ų | 64 | 34 Ų | 34 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.7 | 179.4 | 29.4 | -36.2 | 0 | 0 | 0 | 113.9 | L102 R106 I140 K182 G183 | L102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-R106 PolarHBondContact O-N 2.87Å; P104-I140 HydrophobicContact CB-CD1 4.38Å; P104-K182 CarbonylContact O-C 3.59Å; P104-G183 WeakPolarHBondContact O-CA 3.48Å; P104-G183 PolarHBondContact O-N 2.95Å; P104-G183 VanDerWaalsContact O-N 3.1Å |
| 105 | S | 97.5 | Very high | 97.8 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 52% | 0.517 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9 | 170.9 | 85.9 | 0 | 0 | 0 | 0 | 113.5 | D103 K182 | D103-S105 PolarHBondContact O-N 3.49Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CB 3.25Å; D103-S105 WeakPolarHBondContact OD1-CB 3.4Å; D103-S105 PolarHBondContact OD1-N 2.97Å; D103-S105 PolarHBondContact OD1-OG 2.82Å; D103-S105 PolarHBondContact OD2-OG 2.8Å; S105-K182 WeakPolarHBondContact O-CB 3.44Å; S105-K182 VanDerWaalsContact O-CG 3.28Å; S105-K182 WeakPolarHBondContact O-CG 3.41Å |
| 106 | R | 97.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -117 | 160 | -176.6 | -57.2 | -176.1 | 66.9 | 80.5 | 5 | 111.4 | D103 P104 Y108 G183 D224 | D103-R106 HydrophobicContact CB-CG 4.29Å; D103-R106 PolarHBondContact O-N 3.49Å; P104-R106 PolarHBondContact O-N 2.87Å; R106-Y108 HydrophobicContact CB-CE2 4.22Å; R106-G183 VanDerWaalsContact O-CA 3.29Å; R106-G183 WeakPolarHBondContact O-CA 3.23Å; R106-G183 PolarHBondContact O-N 3.44Å; R106-D224 IonicContact CZ-OD1 2.8Å; R106-D224 IonicContact CZ-OD2 3.38Å; R106-D224 IonicContact NE-OD1 3.68Å; R106-D224 IonicContact NE-OD2 2.83Å; R106-D224 PolarHBondContact NE-OD2 3.14Å; R106-D224 VanDerWaalsContact NH2-CG 3.31Å; R106-D224 IonicContact NH2-OD1 2.87Å; R106-D224 PolarHBondContact NH2-OD1 2.87Å; R106-D224 IonicContact NH2-OD2 2.76Å; R106-D224 PolarHBondContact NH2-OD2 2.78Å; R106-D224 VanDerWaalsContact NH2-OD2 3.16Å |
| 107 | N | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | trans | -105.8 | 150.9 | 173.4 | -73.8 | -18.2 | 0 | 0 | 0 | 109.3 | L177 K182 G183 Y184 A223 D224 | N107-L177 HydrophobicContact CB-CD2 4.02Å; N107-L177 PolarHBondContact ND2-O 3.33Å; N107-K182 WeakPolarHBondContact OD1-CA 3.39Å; N107-G183 PolarHBondContact OD1-N 3.47Å; N107-Y184 CarbonylContact C-O 3.03Å; N107-Y184 VanDerWaalsContact CA-O 3.31Å; N107-Y184 WeakPolarHBondContact CA-O 3.44Å; N107-Y184 PolarHBondContact OD1-N 2.97Å; N107-A223 HydrophobicContact CB-CB 4.25Å; N107-A223 CarbonylContact O-C 3.54Å; N107-A223 VanDerWaalsContact O-CA 3.28Å; N107-A223 WeakPolarHBondContact O-CA 3.47Å; N107-D224 PolarHBondContact O-N 3.49Å | ||
| 108 | Y | 98.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.3 | -172.5 | -62.8 | -78.2 | 0 | 0 | 0 | 111.9 | L102 D103 R106 I140 L177 Y184 A185 A186 D224 V226 P292 | L102-Y108 HydrophobicContact CB-CD2 4.45Å; L102-Y108 HydrophobicContact CB-CE2 3.82Å; L102-Y108 HydrophobicContact CD2-CD1 4.08Å; L102-Y108 HydrophobicContact CD2-CE1 3.76Å; L102-Y108 HydrophobicContact CD2-CE2 4.44Å; D103-Y108 PolarHBondContact N-OH 3.14Å; D103-Y108 WeakPolarHBondContact O-CE2 3.34Å; D103-Y108 PolarHBondContact O-OH 3.49Å; R106-Y108 HydrophobicContact CB-CE2 4.22Å; Y108-I140 HydrophobicContact CD2-CD1 4.1Å; Y108-I140 HydrophobicContact CE2-CD1 3.76Å; Y108-L177 WeakPolarHBondContact O-CD2 3.45Å; Y108-Y184 PolarHBondContact N-O 3.49Å; Y108-A185 CarbonylContact O-C 3.56Å; Y108-A185 VanDerWaalsContact O-CA 3.3Å; Y108-A185 WeakPolarHBondContact O-CA 3.37Å; Y108-A186 PolarHBondContact O-N 2.8Å; Y108-D224 CarbonylContact C-O 3.56Å; Y108-D224 VanDerWaalsContact CA-O 3.29Å; Y108-D224 WeakPolarHBondContact CA-O 3.13Å; Y108-D224 HydrophobicContact CD1-CB 3.76Å; Y108-D224 HydrophobicContact CE1-CB 3.81Å; Y108-V226 HydrophobicContact CD1-CG2 3.57Å; Y108-V226 HydrophobicContact CE1-CG2 4.38Å; Y108-V226 HydrophobicContact CG-CG2 4.21Å; Y108-P292 HydrophobicContact CD1-CB 4.46Å; Y108-P292 HydrophobicContact CE1-CB 3.92Å |
| 109 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 104.1 | 164.1 | -168.2 | 169 | 0 | 0 | 0 | 108 | I173 A186 I188 F214 T217 A218 A223 D224 L225 V226 | L109-I173 HydrophobicContact CD1-CG2 4.5Å; L109-A186 CarbonylContact C-O 3.49Å; L109-A186 WeakPolarHBondContact CA-O 3.48Å; L109-I188 HydrophobicContact CD1-CD1 3.99Å; L109-I188 HydrophobicContact CD2-CD1 3.83Å; L109-I188 HydrophobicContact CD2-CG1 4.17Å; L109-I188 HydrophobicContact CG-CD1 4.05Å; L109-F214 HydrophobicContact CD1-CB 4.32Å; L109-F214 WeakPolarHBondContact CD1-O 3.44Å; L109-F214 HydrophobicContact CD2-CB 4.28Å; L109-F214 HydrophobicContact CD2-CD2 3.78Å; L109-F214 HydrophobicContact CD2-CG 4.48Å; L109-T217 HydrophobicContact CD1-CG2 4.46Å; L109-A218 HydrophobicContact CB-CB 4.5Å; L109-A218 HydrophobicContact CD1-CB 4.13Å; L109-A223 HydrophobicContact CB-CB 4.5Å; L109-D224 PolarHBondContact N-O 3.49Å; L109-L225 HydrophobicContact CB-CD2 4.2Å; L109-L225 HydrophobicContact CD2-CD2 4.02Å; L109-L225 HydrophobicContact CG-CD2 4.49Å; L109-L225 CarbonylContact O-C 3.47Å; L109-L225 WeakPolarHBondContact O-CA 3.4Å; L109-V226 PolarHBondContact O-N 3.13Å |
| 110 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.8 | -179.4 | -48.1 | -172.5 | 0 | 0 | 0 | 108.6 | F126 A185 A186 V187 I188 V226 C228 | I110-F126 HydrophobicContact CD1-CE1 4.17Å; I110-A185 HydrophobicContact CD1-CB 3.98Å; I110-A185 HydrophobicContact CG1-CB 4.26Å; I110-A186 PolarHBondContact N-O 2.83Å; I110-V187 HydrophobicContact CB-CB 4.44Å; I110-V187 HydrophobicContact CB-CG1 4.23Å; I110-V187 HydrophobicContact CB-CG2 4.11Å; I110-V187 HydrophobicContact CD1-CG2 4.17Å; I110-V187 HydrophobicContact CG1-CG2 4.36Å; I110-V187 HydrophobicContact CG2-CG1 4.37Å; I110-V187 CarbonylContact O-C 3.46Å; I110-V187 WeakPolarHBondContact O-CA 3.45Å; I110-I188 PolarHBondContact O-N 2.76Å; I110-V226 CarbonylContact C-O 3.54Å; I110-V226 VanDerWaalsContact CA-O 3.31Å; I110-V226 WeakPolarHBondContact CA-O 3.47Å; I110-V226 HydrophobicContact CB-CB 4.39Å; I110-V226 HydrophobicContact CG1-CB 4.05Å; I110-V226 HydrophobicContact CG1-CG2 4.37Å; I110-V226 HydrophobicContact CG2-CB 4.34Å; I110-C228 HydrophobicContact CG2-CB 3.71Å |
| 111 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H113 I188 V226 C228 Y313 | G111-H113 PolarHBondContact O-CD2 2.69Å; G111-H113 VanDerWaalsContact O-CD2 3.25Å; G111-I188 WeakPolarHBondContact CA-O 3.3Å; G111-V226 PolarHBondContact N-O 2.95Å; G111-C228 PolarHBondContact O-N 3.29Å; G111-Y313 VanDerWaalsContact CA-OH 3.26Å; G111-Y313 WeakPolarHBondContact CA-OH 3.37Å; G111-Y313 PolarHBondContact O-OH 2.85Å |
| 112 | Y | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132 | 178.8 | -174.2 | -88.1 | 0 | 0 | 0 | 111.3 | P114 G121 A122 F126 I188 V189 V190 C228 A230 E233 C287 | Y112-P114 WeakPolarHBondContact CD1-O 3.39Å; Y112-P114 WeakPolarHBondContact CE1-O 3.26Å; Y112-G121 VanDerWaalsContact OH-CA 3.23Å; Y112-G121 WeakPolarHBondContact OH-CA 3.24Å; Y112-A122 HydrophobicContact CD1-CB 3.92Å; Y112-A122 HydrophobicContact CD2-CB 3.9Å; Y112-A122 HydrophobicContact CE1-CB 3.81Å; Y112-A122 HydrophobicContact CE2-CB 3.78Å; Y112-A122 HydrophobicContact CG-CB 3.95Å; Y112-A122 VanDerWaalsContact CZ-N 3.34Å; Y112-A122 PolarHBondContact OH-N 3.36Å; Y112-A122 VanDerWaalsContact OH-N 3.08Å; Y112-F126 HydrophobicContact CD2-CD2 4.48Å; Y112-F126 AromaticContact CD2-CE2 3.65Å; Y112-F126 HydrophobicContact CD2-CE2 3.65Å; Y112-F126 HydrophobicContact CD2-CZ 4.49Å; Y112-F126 AromaticContact CE2-CE2 3.99Å; Y112-F126 HydrophobicContact CE2-CE2 3.99Å; Y112-I188 PolarHBondContact N-O 3.09Å; Y112-V189 HydrophobicContact CD1-CG1 4.13Å; Y112-V189 HydrophobicContact CD1-CG2 4.31Å; Y112-V190 PolarHBondContact O-N 2.97Å; Y112-C228 HydrophobicContact CD2-CB 4.47Å; Y112-A230 HydrophobicContact CE1-CB 4.06Å; Y112-A230 HydrophobicContact CE2-CB 3.85Å; Y112-A230 VanDerWaalsContact CZ-CB 3.4Å; Y112-A230 WeakPolarHBondContact OH-CB 3.4Å; Y112-E233 HydrophobicContact CE1-CG 4.45Å; Y112-E233 PolarHBondContact OH-OE2 3.38Å; Y112-C287 PolarHBondContact OH-SG 2.78Å |
| 113 | H | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 149.6 | -177.6 | -59.9 | -87.2 | 0 | 0 | 0 | 111.3 | G111 V190 L206 C228 Y229 A230 Y313 | G111-H113 PolarHBondContact O-CD2 2.69Å; G111-H113 VanDerWaalsContact O-CD2 3.25Å; H113-V190 VanDerWaalsContact CE1-CB 3.48Å; H113-V190 WeakPolarHBondContact CE1-CB 3.17Å; H113-L206 HydrophobicContact CB-CD1 3.96Å; H113-L206 HydrophobicContact CB-CD2 3.75Å; H113-C228 PolarHBondContact N-O 3.26Å; H113-Y229 HydrophobicContact CB-CD2 4.13Å; H113-Y229 HydrophobicContact CB-CE2 4.49Å; H113-Y229 CarbonylContact O-C 3.41Å; H113-Y229 VanDerWaalsContact O-CA 3.27Å; H113-Y229 WeakPolarHBondContact O-CA 3.49Å; H113-A230 PolarHBondContact O-N 3.39Å; H113-Y313 PolarHBondContact CD2-OH 3.33Å; H113-Y313 AromaticContact NE2-CE1 3.67Å; H113-Y313 AromaticContact NE2-CZ 3.67Å; H113-Y313 PolarHBondContact NE2-OH 2.77Å |
| 114 | P | 96.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.013 | 8% | 0.081 | C | C | . | . | cis | -69.5 | 168.1 | -22.2 | 33.8 | -34.3 | 0 | 0 | 0 | 110.3 | Y112 G116 E195 L206 A230 E233 | Y112-P114 WeakPolarHBondContact CD1-O 3.39Å; Y112-P114 WeakPolarHBondContact CE1-O 3.26Å; P114-G116 VanDerWaalsContact C-N 3.26Å; P114-G116 PolarHBondContact O-N 2.8Å; P114-E195 WeakPolarHBondContact CA-OE1 3.45Å; P114-L206 HydrophobicContact CB-CD2 3.79Å; P114-A230 WeakPolarHBondContact CD-O 3.37Å; P114-E233 HydrophobicContact CG-CB 4.16Å | ||
| 115 | H | 94.4 | Very high | 96.5 | Very high | 36 Ų | 36 | 11.5 Ų | 11.5 | 17% | 0.167 | 6% | 0.061 | C | C | . | . | trans | -62.3 | -35.5 | 175.8 | -173.8 | -68.4 | 0 | 0 | 0 | 112 | S119 V189 G192 E195 | H115-S119 VanDerWaalsContact O-CA 3.31Å; H115-S119 WeakPolarHBondContact O-CA 3.31Å; H115-S119 WeakPolarHBondContact O-CB 3.46Å; H115-S119 PolarHBondContact O-N 3.05Å; H115-S119 PolarHBondContact O-OG 2.95Å; H115-V189 HydrophobicContact CB-CG1 3.49Å; H115-V189 VanDerWaalsContact CB-CG1 3.49Å; H115-V189 WeakPolarHBondContact CD2-CG1 3.03Å; H115-V189 VanDerWaalsContact CG-CG1 3.41Å; H115-G192 WeakPolarHBondContact CD2-CA 3.33Å; H115-E195 HydrophobicContact CB-CB 4.23Å; H115-E195 HydrophobicContact CB-CG 4.33Å; H115-E195 WeakPolarHBondContact CB-OE1 3.37Å; H115-E195 PolarHBondContact N-OE1 3.42Å | ||
| 116 | G | 92.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -165.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P114 A196 N234 | P114-G116 VanDerWaalsContact C-N 3.26Å; P114-G116 PolarHBondContact O-N 2.8Å; G116-A196 WeakPolarHBondContact O-CA 3.36Å; G116-A196 WeakPolarHBondContact O-CB 3.5Å; G116-N234 WeakPolarHBondContact CA-OD1 3.47Å |
| 117 | V | 89.4 | Confident | 96.5 | Very high | 12 Ų | 12 | 4.6 Ų | 4.6 | 7% | 0.073 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -44.1 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | A199 Y237 P264 I266 | V117-A199 HydrophobicContact CG2-CB 4.22Å; V117-Y237 HydrophobicContact CB-CD2 3.63Å; V117-Y237 HydrophobicContact CB-CE2 3.96Å; V117-Y237 HydrophobicContact CG1-CD2 3.99Å; V117-Y237 HydrophobicContact CG1-CE2 4Å; V117-Y237 HydrophobicContact CG2-CD2 3.7Å; V117-Y237 HydrophobicContact CG2-CG 4.36Å; V117-P264 HydrophobicContact CB-CG 4.2Å; V117-P264 HydrophobicContact CG1-CG 3.55Å; V117-P264 HydrophobicContact CG2-CG 3.89Å; V117-I266 HydrophobicContact CG1-CD1 4.11Å; V117-I266 HydrophobicContact CG1-CG2 3.97Å; V117-I266 HydrophobicContact CG2-CG2 3.84Å |
| 118 | M | 90.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 4.1 Ų | 4.1 | 8% | 0.079 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 6 | -177.1 | -63.2 | 178.4 | -163.4 | 0 | 0 | 113.9 | Y28 V29 F32 F120 Y237 I266 | Y28-M118 HydrophobicContact CE1-CB 4.13Å; Y28-M118 PolarHBondContact OH-O 2.77Å; V29-M118 HydrophobicContact CG1-CE 4.26Å; V29-M118 HydrophobicContact CG2-SD 4.01Å; F32-M118 HydrophobicContact CD2-SD 4.33Å; M118-F120 HydrophobicContact CB-CD2 4.23Å; M118-F120 HydrophobicContact CB-CE2 3.82Å; M118-F120 HydrophobicContact CB-CZ 4.08Å; M118-F120 HydrophobicContact CG-CE2 4.42Å; M118-F120 HydrophobicContact CG-CZ 4.48Å; M118-F120 PolarHBondContact O-N 3.31Å; M118-F120 HydrophobicContact SD-CE2 4.39Å; M118-F120 HydrophobicContact SD-CZ 3.91Å; M118-Y237 HydrophobicContact CE-CE2 4.28Å; M118-Y237 WeakPolarHBondContact CE-OH 3.1Å; M118-I266 HydrophobicContact CE-CD1 4.23Å |
| 119 | S | 94.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 4.3 Ų | 4.3 | 6% | 0.063 | 2% | 0.022 | C | C | . | . | trans | 52.5 | 51.9 | 179.6 | -43.6 | 0 | 0 | 0 | 0 | 113.5 | H115 G121 A122 F123 E233 | H115-S119 VanDerWaalsContact O-CA 3.31Å; H115-S119 WeakPolarHBondContact O-CA 3.31Å; H115-S119 WeakPolarHBondContact O-CB 3.46Å; H115-S119 PolarHBondContact O-N 3.05Å; H115-S119 PolarHBondContact O-OG 2.95Å; S119-G121 VanDerWaalsContact C-N 3.31Å; S119-G121 PolarHBondContact O-N 2.76Å; S119-A122 WeakPolarHBondContact O-CB 3.41Å; S119-A122 PolarHBondContact O-N 2.94Å; S119-A122 VanDerWaalsContact O-N 3.15Å; S119-F123 PolarHBondContact O-N 2.96Å; S119-E233 VanDerWaalsContact CA-OE1 3.24Å; S119-E233 WeakPolarHBondContact CA-OE1 3.25Å | ||
| 120 | F | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | -177.5 | -71.3 | -87.1 | 0 | 0 | 0 | 111.8 | V25 Y28 V29 F92 I94 M118 A122 C124 E233 V236 Y237 P280 I285 | V25-F120 HydrophobicContact CG1-CE1 4.18Å; Y28-F120 AromaticContact CD1-CD1 3.51Å; Y28-F120 HydrophobicContact CD1-CD1 3.51Å; Y28-F120 AromaticContact CD1-CE1 3.33Å; Y28-F120 HydrophobicContact CD1-CE1 3.33Å; Y28-F120 HydrophobicContact CD1-CZ 4.25Å; Y28-F120 AromaticContact CE1-CD1 3.53Å; Y28-F120 HydrophobicContact CE1-CD1 3.53Å; Y28-F120 AromaticContact CE1-CE1 3.65Å; Y28-F120 HydrophobicContact CE1-CE1 3.65Å; Y28-F120 HydrophobicContact CE1-CG 4.19Å; Y28-F120 HydrophobicContact CE1-CZ 4.35Å; Y28-F120 HydrophobicContact CG-CE1 4.5Å; V29-F120 HydrophobicContact CG2-CE1 4.28Å; V29-F120 HydrophobicContact CG2-CZ 4.11Å; F92-F120 HydrophobicContact CE2-CB 4.25Å; F92-F120 AromaticContact CE2-CD1 3.64Å; F92-F120 HydrophobicContact CE2-CD1 3.64Å; F92-F120 HydrophobicContact CE2-CE1 4.15Å; F92-F120 HydrophobicContact CE2-CG 4.01Å; F92-F120 HydrophobicContact CZ-CB 4.39Å; F92-F120 AromaticContact CZ-CD1 3.6Å; F92-F120 HydrophobicContact CZ-CD1 3.6Å; F92-F120 HydrophobicContact CZ-CD2 4.18Å; F92-F120 AromaticContact CZ-CE1 3.78Å; F92-F120 HydrophobicContact CZ-CE1 3.78Å; F92-F120 HydrophobicContact CZ-CE2 4.35Å; F92-F120 AromaticContact CZ-CG 3.81Å; F92-F120 HydrophobicContact CZ-CG 3.81Å; F92-F120 HydrophobicContact CZ-CZ 4.2Å; I94-F120 HydrophobicContact CD1-CB 4.45Å; M118-F120 HydrophobicContact CB-CD2 4.23Å; M118-F120 HydrophobicContact CB-CE2 3.82Å; M118-F120 HydrophobicContact CB-CZ 4.08Å; M118-F120 HydrophobicContact CG-CE2 4.42Å; M118-F120 HydrophobicContact CG-CZ 4.48Å; M118-F120 PolarHBondContact O-N 3.31Å; M118-F120 HydrophobicContact SD-CE2 4.39Å; M118-F120 HydrophobicContact SD-CZ 3.91Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-C124 WeakPolarHBondContact O-CB 3.37Å; F120-C124 PolarHBondContact O-N 2.87Å; F120-E233 PolarHBondContact N-OE1 2.86Å; F120-V236 HydrophobicContact CD2-CG2 4.02Å; F120-V236 HydrophobicContact CE2-CG2 4.03Å; F120-Y237 AromaticContact CE2-CE2 3.74Å; F120-Y237 HydrophobicContact CE2-CE2 3.74Å; F120-Y237 HydrophobicContact CZ-CE2 4.16Å; F120-P280 HydrophobicContact CE1-CG 4.04Å; F120-P280 HydrophobicContact CE2-CB 4.22Å; F120-P280 HydrophobicContact CE2-CG 4.04Å; F120-P280 HydrophobicContact CZ-CB 4.22Å; F120-P280 HydrophobicContact CZ-CG 3.58Å; F120-I285 HydrophobicContact CB-CD1 3.94Å |
| 121 | G | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y112 S119 C124 N125 E233 | Y112-G121 VanDerWaalsContact OH-CA 3.23Å; Y112-G121 WeakPolarHBondContact OH-CA 3.24Å; S119-G121 VanDerWaalsContact C-N 3.31Å; S119-G121 PolarHBondContact O-N 2.76Å; G121-C124 PolarHBondContact O-N 3.32Å; G121-N125 VanDerWaalsContact O-CB 3.29Å; G121-N125 WeakPolarHBondContact O-CB 3.49Å; G121-N125 PolarHBondContact O-N 3.48Å; G121-N125 PolarHBondContact O-ND2 2.84Å; G121-N125 VanDerWaalsContact O-ND2 3.13Å; G121-E233 WeakPolarHBondContact CA-OE2 3.13Å; G121-E233 PolarHBondContact N-OE2 3.46Å |
| 122 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.3 | -51.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y112 S119 F120 C124 N125 F126 L144 V189 | Y112-A122 HydrophobicContact CD1-CB 3.92Å; Y112-A122 HydrophobicContact CD2-CB 3.9Å; Y112-A122 HydrophobicContact CE1-CB 3.81Å; Y112-A122 HydrophobicContact CE2-CB 3.78Å; Y112-A122 HydrophobicContact CG-CB 3.95Å; Y112-A122 VanDerWaalsContact CZ-N 3.34Å; Y112-A122 PolarHBondContact OH-N 3.36Å; Y112-A122 VanDerWaalsContact OH-N 3.08Å; S119-A122 WeakPolarHBondContact O-CB 3.41Å; S119-A122 PolarHBondContact O-N 2.94Å; S119-A122 VanDerWaalsContact O-N 3.15Å; F120-A122 VanDerWaalsContact C-N 3.34Å; A122-C124 PolarHBondContact O-N 3.06Å; A122-N125 PolarHBondContact O-N 3.47Å; A122-F126 HydrophobicContact CB-CD2 4.26Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.24Å; A122-F126 PolarHBondContact O-N 3.48Å; A122-L144 HydrophobicContact CB-CD1 4.1Å; A122-L144 HydrophobicContact CB-CD2 4.22Å; A122-V189 HydrophobicContact CB-CG2 4.4Å |
| 123 | F | 97 | Very high | 96.1 | Very high | 7 Ų | 7 | 8.4 Ų | 8.4 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -63.4 | -45.1 | 178.8 | 178 | -99 | 0 | 0 | 0 | 111.7 | Y28 Y85 M88 S119 N125 S127 T128 L144 F163 L165 | Y28-F123 AromaticContact CD2-CD1 3.46Å; Y28-F123 HydrophobicContact CD2-CD1 3.46Å; Y28-F123 VanDerWaalsContact CD2-CD1 3.46Å; Y28-F123 HydrophobicContact CD2-CD2 4.46Å; Y28-F123 AromaticContact CD2-CE1 3.48Å; Y28-F123 HydrophobicContact CD2-CE1 3.48Å; Y28-F123 VanDerWaalsContact CD2-CE1 3.48Å; Y28-F123 HydrophobicContact CD2-CE2 4.47Å; Y28-F123 AromaticContact CD2-CG 3.99Å; Y28-F123 HydrophobicContact CD2-CG 3.99Å; Y28-F123 HydrophobicContact CD2-CZ 4.01Å; Y28-F123 HydrophobicContact CE2-CB 3.68Å; Y28-F123 AromaticContact CE2-CD1 3.15Å; Y28-F123 HydrophobicContact CE2-CD1 3.15Å; Y28-F123 AromaticContact CE2-CD2 3.64Å; Y28-F123 HydrophobicContact CE2-CD2 3.64Å; Y28-F123 AromaticContact CE2-CE1 3.59Å; Y28-F123 HydrophobicContact CE2-CE1 3.59Å; Y28-F123 HydrophobicContact CE2-CE2 4.02Å; Y28-F123 AromaticContact CE2-CG 3.19Å; Y28-F123 HydrophobicContact CE2-CG 3.19Å; Y28-F123 AromaticContact CE2-CZ 4Å; Y28-F123 HydrophobicContact CE2-CZ 4Å; Y28-F123 HydrophobicContact CG-CD1 4.44Å; Y28-F123 AromaticContact CZ-CD1 3.9Å; Y28-F123 AromaticContact CZ-CG 3.76Å; Y28-F123 VanDerWaalsContact OH-CB 3.26Å; Y28-F123 WeakPolarHBondContact OH-CB 3.48Å; Y85-F123 AromaticContact CD1-CE1 3.92Å; Y85-F123 HydrophobicContact CD1-CE1 3.92Å; Y85-F123 AromaticContact CE1-CE1 3.63Å; Y85-F123 HydrophobicContact CE1-CE1 3.63Å; Y85-F123 AromaticContact CE1-CZ 3.95Å; Y85-F123 HydrophobicContact CE1-CZ 3.95Å; M88-F123 HydrophobicContact CE-CD1 3.64Å; M88-F123 HydrophobicContact CE-CE1 4.03Å; M88-F123 HydrophobicContact SD-CD1 4.19Å; M88-F123 HydrophobicContact SD-CE1 4.31Å; S119-F123 PolarHBondContact O-N 2.96Å; F123-N125 VanDerWaalsContact C-N 3.34Å; F123-N125 PolarHBondContact O-N 3.16Å; F123-S127 VanDerWaalsContact CD2-CB 3.45Å; F123-S127 WeakPolarHBondContact O-CA 3.27Å; F123-S127 WeakPolarHBondContact O-CB 3.23Å; F123-S127 PolarHBondContact O-N 2.75Å; F123-T128 HydrophobicContact CD1-CG2 4.23Å; F123-T128 HydrophobicContact CE1-CG2 3.73Å; F123-T128 HydrophobicContact CZ-CG2 3.96Å; F123-T128 PolarHBondContact O-N 3.26Å; F123-L144 HydrophobicContact CB-CD2 4.32Å; F123-F163 HydrophobicContact CE2-CB 4.19Å; F123-F163 HydrophobicContact CE2-CD1 4.28Å; F123-F163 HydrophobicContact CE2-CG 4.06Å; F123-F163 HydrophobicContact CZ-CD1 4.02Å; F123-F163 HydrophobicContact CZ-CE1 4.33Å; F123-F163 HydrophobicContact CZ-CG 4.18Å; F123-L165 HydrophobicContact CE2-CD1 4.31Å |
| 124 | C | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -58.3 | -46.3 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | M88 I94 F120 G121 A122 T128 | M88-C124 HydrophobicContact CE-CB 3.55Å; I94-C124 HydrophobicContact CD1-CB 3.49Å; I94-C124 VanDerWaalsContact CD1-CB 3.49Å; I94-C124 HydrophobicContact CG2-CB 4.19Å; F120-C124 WeakPolarHBondContact O-CB 3.37Å; F120-C124 PolarHBondContact O-N 2.87Å; G121-C124 PolarHBondContact O-N 3.32Å; A122-C124 PolarHBondContact O-N 3.06Å; C124-T128 PolarHBondContact O-OG1 3.48Å |
| 125 | N | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -83.4 | -36.2 | -173 | -69.7 | -36.7 | 0 | 0 | 0 | 114.2 | L96 G121 A122 F123 N131 F133 C287 | L96-N125 HydrophobicContact CD1-CB 4.17Å; G121-N125 VanDerWaalsContact O-CB 3.29Å; G121-N125 WeakPolarHBondContact O-CB 3.49Å; G121-N125 PolarHBondContact O-N 3.48Å; G121-N125 PolarHBondContact O-ND2 2.84Å; G121-N125 VanDerWaalsContact O-ND2 3.13Å; A122-N125 PolarHBondContact O-N 3.47Å; F123-N125 VanDerWaalsContact C-N 3.34Å; F123-N125 PolarHBondContact O-N 3.16Å; N125-N131 WeakPolarHBondContact OD1-CB 3.01Å; N125-N131 PolarHBondContact OD1-ND2 2.75Å; N125-F133 WeakPolarHBondContact O-CB 3.28Å; N125-F133 WeakPolarHBondContact O-CD2 3.2Å; N125-C287 VanDerWaalsContact ND2-CB 3.27Å; N125-C287 WeakPolarHBondContact ND2-CB 3.41Å; N125-C287 PolarHBondContact ND2-SG 2.97Å |
| 126 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -106.7 | -20.8 | -170.9 | -55.4 | -68.7 | 0 | 0 | 0 | 113.8 | I110 Y112 A122 F133 P142 L144 V187 I289 | I110-F126 HydrophobicContact CD1-CE1 4.17Å; Y112-F126 HydrophobicContact CD2-CD2 4.48Å; Y112-F126 AromaticContact CD2-CE2 3.65Å; Y112-F126 HydrophobicContact CD2-CE2 3.65Å; Y112-F126 HydrophobicContact CD2-CZ 4.49Å; Y112-F126 AromaticContact CE2-CE2 3.99Å; Y112-F126 HydrophobicContact CE2-CE2 3.99Å; A122-F126 HydrophobicContact CB-CD2 4.26Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.24Å; A122-F126 PolarHBondContact O-N 3.48Å; F126-F133 HydrophobicContact CD1-CD2 4.11Å; F126-F133 AromaticContact CD1-CE2 3.68Å; F126-F133 HydrophobicContact CD1-CE2 3.68Å; F126-F133 HydrophobicContact CD1-CZ 4.46Å; F126-F133 HydrophobicContact CE1-CD2 4.33Å; F126-F133 AromaticContact CE1-CE2 3.71Å; F126-F133 HydrophobicContact CE1-CE2 3.71Å; F126-P142 HydrophobicContact CB-CB 4.14Å; F126-P142 HydrophobicContact CD1-CB 4.09Å; F126-P142 WeakPolarHBondContact O-CG 3.33Å; F126-L144 HydrophobicContact CB-CB 4.37Å; F126-V187 HydrophobicContact CB-CB 4.5Å; F126-V187 HydrophobicContact CB-CG2 4.04Å; F126-V187 HydrophobicContact CD1-CG1 4.43Å; F126-V187 HydrophobicContact CD1-CG2 3.76Å; F126-V187 HydrophobicContact CD2-CG1 3.73Å; F126-V187 HydrophobicContact CD2-CG2 4.41Å; F126-V187 HydrophobicContact CE1-CG2 4.32Å; F126-V187 HydrophobicContact CE2-CG1 4Å; F126-V187 HydrophobicContact CG-CB 4.31Å; F126-V187 HydrophobicContact CG-CG1 4Å; F126-V187 HydrophobicContact CG-CG2 3.81Å; F126-V187 HydrophobicContact CZ-CG1 4.43Å; F126-I289 HydrophobicContact CE1-CD1 3.85Å; F126-I289 HydrophobicContact CZ-CD1 3.99Å; F126-I289 HydrophobicContact CZ-CG1 4.43Å |
| 127 | S | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -102.1 | -21.6 | -179.4 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | R80 F123 L144 F163 L165 | R80-S127 WeakPolarHBondContact CG-O 3.33Å; R80-S127 PolarHBondContact NE-O 2.93Å; F123-S127 VanDerWaalsContact CD2-CB 3.45Å; F123-S127 WeakPolarHBondContact O-CA 3.27Å; F123-S127 WeakPolarHBondContact O-CB 3.23Å; F123-S127 PolarHBondContact O-N 2.75Å; S127-L144 WeakPolarHBondContact OG-CB 2.79Å; S127-L144 WeakPolarHBondContact OG-CD2 3.36Å; S127-F163 VanDerWaalsContact CA-O 3.23Å; S127-F163 WeakPolarHBondContact CA-O 3.07Å; S127-F163 WeakPolarHBondContact CB-O 3.48Å; S127-F163 PolarHBondContact OG-O 2.73Å; S127-L165 WeakPolarHBondContact OG-CD2 3.18Å |
| 128 | T | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -123.7 | 170.5 | -178.2 | 84.6 | 0 | 0 | 0 | 0 | 111.7 | Y85 F123 C124 A130 F163 | Y85-T128 HydrophobicContact CD1-CG2 3.78Å; Y85-T128 HydrophobicContact CD2-CG2 4.04Å; Y85-T128 HydrophobicContact CE1-CG2 4.27Å; Y85-T128 HydrophobicContact CG-CG2 3.66Å; F123-T128 HydrophobicContact CD1-CG2 4.23Å; F123-T128 HydrophobicContact CE1-CG2 3.73Å; F123-T128 HydrophobicContact CZ-CG2 3.96Å; F123-T128 PolarHBondContact O-N 3.26Å; C124-T128 PolarHBondContact O-OG1 3.48Å; T128-A130 VanDerWaalsContact OG1-CB 3.3Å; T128-A130 WeakPolarHBondContact OG1-CB 3.29Å; T128-A130 PolarHBondContact OG1-N 3.12Å; T128-F163 HydrophobicContact CG2-CD1 4.27Å |
| 129 | E | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -100.9 | 25.9 | 171.8 | -65.2 | -65.1 | 146.1 | 0 | 0 | 111.6 | R80 R81 N131 D132 S134 | R80-E129 HydrophobicContact CB-CG 4.46Å; R80-E129 IonicContact CZ-OE1 3.2Å; R80-E129 IonicContact NH1-OE1 3.08Å; R80-E129 PolarHBondContact NH1-OE1 2.92Å; R80-E129 IonicContact NH2-OE1 2.61Å; R80-E129 PolarHBondContact NH2-OE1 3.49Å; R80-E129 PolarHBondContact O-N 3.43Å; R81-E129 HydrophobicContact CG-CB 3.8Å; R81-E129 HydrophobicContact CG-CG 3.88Å; E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 2.73Å; E129-D132 PolarHBondContact O-N 3.44Å; E129-S134 WeakPolarHBondContact OE2-CB 3.29Å; E129-S134 PolarHBondContact OE2-N 3.43Å; E129-S134 PolarHBondContact OE2-OG 2.93Å |
| 130 | A | 97.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y85 R89 T128 | Y85-A130 VanDerWaalsContact O-CB 3.3Å; Y85-A130 WeakPolarHBondContact O-CB 3.45Å; R89-A130 HydrophobicContact CB-CB 4.18Å; R89-A130 WeakPolarHBondContact CD-O 3.33Å; R89-A130 PolarHBondContact NH1-O 2.89Å; T128-A130 VanDerWaalsContact OG1-CB 3.3Å; T128-A130 WeakPolarHBondContact OG1-CB 3.29Å; T128-A130 PolarHBondContact OG1-N 3.12Å |
| 131 | N | 97.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 22.8 | 174 | -86.6 | -32.7 | 0 | 0 | 0 | 112.8 | R89 I94 L96 N125 E129 F133 | R89-N131 WeakPolarHBondContact CD-OD1 3.18Å; I94-N131 PolarHBondContact O-ND2 2.83Å; I94-N131 PolarHBondContact O-OD1 2.84Å; L96-N131 HydrophobicContact CB-CB 4.2Å; N125-N131 WeakPolarHBondContact OD1-CB 3.01Å; N125-N131 PolarHBondContact OD1-ND2 2.75Å; E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 2.73Å; N131-F133 VanDerWaalsContact C-N 3.28Å; N131-F133 PolarHBondContact O-N 3.02Å |
| 132 | D | 96.8 | Very high | 97.5 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 31% | 0.31 | 15% | 0.146 | S | C | . | . | trans | 50.3 | 44.3 | 176.1 | -67.8 | -70.4 | 0 | 0 | 0 | 113.1 | E129 S134 K135 V136 | E129-D132 PolarHBondContact O-N 3.44Å; D132-S134 PolarHBondContact O-N 3.32Å; D132-S134 VanDerWaalsContact O-N 3.1Å; D132-K135 HydrophobicContact CB-CB 4.12Å; D132-K135 HydrophobicContact CB-CD 3.89Å; D132-K135 HydrophobicContact CB-CG 4.09Å; D132-K135 WeakPolarHBondContact O-CA 2.89Å; D132-K135 WeakPolarHBondContact O-CB 3.3Å; D132-K135 PolarHBondContact O-N 3.37Å; D132-K135 WeakPolarHBondContact OD1-CE 3.4Å; D132-K135 IonicContact OD1-NZ 3.4Å; D132-K135 PolarHBondContact OD1-NZ 2.69Å; D132-K135 IonicContact OD2-NZ 3.8Å; D132-V136 PolarHBondContact O-N 3.4Å; D132-V136 VanDerWaalsContact O-N 3.09Å | ||
| 133 | F | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -49.5 | -43.4 | -176.9 | -176.9 | -79.8 | 0 | 0 | 0 | 111.9 | L96 N125 F126 N131 K135 V136 F137 I140 P142 I289 | L96-F133 HydrophobicContact CD2-CD2 3.77Å; L96-F133 HydrophobicContact CD2-CE2 4.46Å; N125-F133 WeakPolarHBondContact O-CB 3.28Å; N125-F133 WeakPolarHBondContact O-CD2 3.2Å; F126-F133 HydrophobicContact CD1-CD2 4.11Å; F126-F133 AromaticContact CD1-CE2 3.68Å; F126-F133 HydrophobicContact CD1-CE2 3.68Å; F126-F133 HydrophobicContact CD1-CZ 4.46Å; F126-F133 HydrophobicContact CE1-CD2 4.33Å; F126-F133 AromaticContact CE1-CE2 3.71Å; F126-F133 HydrophobicContact CE1-CE2 3.71Å; N131-F133 VanDerWaalsContact C-N 3.28Å; N131-F133 PolarHBondContact O-N 3.02Å; F133-K135 PolarHBondContact O-N 3.39Å; F133-V136 PolarHBondContact O-N 3.33Å; F133-F137 HydrophobicContact CD2-CD2 4.14Å; F133-F137 HydrophobicContact CE1-CB 3.95Å; F133-F137 HydrophobicContact CE1-CD2 4.15Å; F133-F137 HydrophobicContact CE1-CG 4.45Å; F133-F137 AromaticContact CE2-CD2 3.65Å; F133-F137 HydrophobicContact CE2-CD2 3.65Å; F133-F137 HydrophobicContact CE2-CE2 4.1Å; F133-F137 HydrophobicContact CZ-CB 4.14Å; F133-F137 AromaticContact CZ-CD2 3.66Å; F133-F137 HydrophobicContact CZ-CD2 3.66Å; F133-F137 HydrophobicContact CZ-CE2 4.44Å; F133-F137 HydrophobicContact CZ-CG 4.17Å; F133-F137 PolarHBondContact O-N 3.23Å; F133-I140 HydrophobicContact CE1-CB 4.09Å; F133-I140 HydrophobicContact CE1-CG2 3.92Å; F133-I140 HydrophobicContact CZ-CG2 4.11Å; F133-P142 HydrophobicContact CD1-CB 4.35Å; F133-P142 HydrophobicContact CD1-CG 3.51Å; F133-P142 HydrophobicContact CD2-CG 4.4Å; F133-P142 HydrophobicContact CE1-CB 3.94Å; F133-P142 VanDerWaalsContact CE1-CD 3.49Å; F133-P142 HydrophobicContact CE1-CG 3.54Å; F133-P142 HydrophobicContact CE2-CB 4.36Å; F133-P142 HydrophobicContact CE2-CG 4.43Å; F133-P142 HydrophobicContact CG-CG 3.99Å; F133-P142 HydrophobicContact CZ-CB 3.94Å; F133-P142 HydrophobicContact CZ-CG 4.02Å; F133-I289 HydrophobicContact CE2-CD1 4.39Å |
| 134 | S | 97.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 30% | 0.301 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.7 | -22.7 | 178.6 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | E129 D132 P138 | E129-S134 WeakPolarHBondContact OE2-CB 3.29Å; E129-S134 PolarHBondContact OE2-N 3.43Å; E129-S134 PolarHBondContact OE2-OG 2.93Å; D132-S134 PolarHBondContact O-N 3.32Å; D132-S134 VanDerWaalsContact O-N 3.1Å; S134-P138 WeakPolarHBondContact O-CA 3.3Å |
| 135 | K | 97.4 | Very high | 97.5 | Very high | 143 Ų | 143 | 26.7 Ų | 26.7 | 62% | 0.622 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -86.1 | -36.3 | 171.4 | -60.2 | -176.4 | -172.9 | 144.5 | 0 | 112 | D132 F133 | D132-K135 HydrophobicContact CB-CB 4.12Å; D132-K135 HydrophobicContact CB-CD 3.89Å; D132-K135 HydrophobicContact CB-CG 4.09Å; D132-K135 WeakPolarHBondContact O-CA 2.89Å; D132-K135 WeakPolarHBondContact O-CB 3.3Å; D132-K135 PolarHBondContact O-N 3.37Å; D132-K135 WeakPolarHBondContact OD1-CE 3.4Å; D132-K135 IonicContact OD1-NZ 3.4Å; D132-K135 PolarHBondContact OD1-NZ 2.69Å; D132-K135 IonicContact OD2-NZ 3.8Å; F133-K135 PolarHBondContact O-N 3.39Å |
| 136 | V | 97.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 24% | 0.236 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | 179.9 | -179 | 0 | 0 | 0 | 0 | 111 | L96 K98 D132 F133 | L96-V136 HydrophobicContact CD2-CB 4.22Å; L96-V136 HydrophobicContact CD2-CG1 4.17Å; L96-V136 HydrophobicContact CD2-CG2 4.26Å; K98-V136 HydrophobicContact CB-CG1 3.88Å; K98-V136 HydrophobicContact CD-CG1 3.9Å; K98-V136 WeakPolarHBondContact CE-O 3.3Å; K98-V136 HydrophobicContact CG-CG1 4.38Å; K98-V136 PolarHBondContact NZ-O 2.89Å; D132-V136 PolarHBondContact O-N 3.4Å; D132-V136 VanDerWaalsContact O-N 3.09Å; F133-V136 PolarHBondContact O-N 3.33Å |
| 137 | F | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -127.1 | 79.7 | 176.5 | -61.3 | -79.1 | 0 | 0 | 0 | 110.9 | L96 K98 A100 L102 F133 G139 I140 I289 | L96-F137 HydrophobicContact CD2-CE2 4.29Å; K98-F137 HydrophobicContact CB-CZ 3.99Å; K98-F137 HydrophobicContact CD-CD1 4.46Å; K98-F137 HydrophobicContact CD-CE1 3.95Å; K98-F137 HydrophobicContact CD-CZ 4.16Å; K98-F137 HydrophobicContact CG-CE1 3.74Å; K98-F137 HydrophobicContact CG-CZ 3.68Å; A100-F137 WeakPolarHBondContact O-CE1 3.48Å; L102-F137 HydrophobicContact CB-CD1 3.99Å; L102-F137 HydrophobicContact CD1-CD1 3.65Å; L102-F137 HydrophobicContact CD1-CE1 3.82Å; L102-F137 HydrophobicContact CD1-CG 4.19Å; L102-F137 HydrophobicContact CG-CD1 3.65Å; L102-F137 HydrophobicContact CG-CE1 3.73Å; F133-F137 HydrophobicContact CD2-CD2 4.14Å; F133-F137 HydrophobicContact CE1-CB 3.95Å; F133-F137 HydrophobicContact CE1-CD2 4.15Å; F133-F137 HydrophobicContact CE1-CG 4.45Å; F133-F137 AromaticContact CE2-CD2 3.65Å; F133-F137 HydrophobicContact CE2-CD2 3.65Å; F133-F137 HydrophobicContact CE2-CE2 4.1Å; F133-F137 HydrophobicContact CZ-CB 4.14Å; F133-F137 AromaticContact CZ-CD2 3.66Å; F133-F137 HydrophobicContact CZ-CD2 3.66Å; F133-F137 HydrophobicContact CZ-CE2 4.44Å; F133-F137 HydrophobicContact CZ-CG 4.17Å; F133-F137 PolarHBondContact O-N 3.23Å; F137-G139 PolarHBondContact O-N 3.22Å; F137-I140 HydrophobicContact CB-CB 3.89Å; F137-I140 HydrophobicContact CB-CG1 3.85Å; F137-I140 PolarHBondContact O-N 2.9Å; F137-I140 VanDerWaalsContact O-N 3.15Å; F137-I289 HydrophobicContact CE2-CD1 3.61Å; F137-I289 HydrophobicContact CZ-CB 4.27Å; F137-I289 HydrophobicContact CZ-CD1 3.87Å; F137-I289 HydrophobicContact CZ-CG2 4.09Å |
| 138 | P | 97.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 35 Ų | 35 | 51% | 0.506 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 132.5 | -179.9 | -24.2 | 35.1 | 0 | 0 | 0 | 112.1 | S134 I140 | S134-P138 WeakPolarHBondContact O-CA 3.3Å; P138-I140 PolarHBondContact O-N 2.77Å |
| 139 | G | 97.3 | Very high | 95.9 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 52% | 0.515 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -9.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | F137 | F137-G139 PolarHBondContact O-N 3.22Š|
| 140 | I | 98.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | trans | -86.9 | 133.3 | 176 | -53.8 | -57.4 | 0 | 0 | 0 | 111 | L102 P104 Y108 F133 F137 P138 P142 G183 A185 | L102-I140 HydrophobicContact CB-CD1 3.93Å; L102-I140 HydrophobicContact CB-CG1 3.82Å; L102-I140 HydrophobicContact CD1-CG1 4.39Å; L102-I140 HydrophobicContact CD1-CG2 4.48Å; P104-I140 HydrophobicContact CB-CD1 4.38Å; Y108-I140 HydrophobicContact CD2-CD1 4.1Å; Y108-I140 HydrophobicContact CE2-CD1 3.76Å; F133-I140 HydrophobicContact CE1-CB 4.09Å; F133-I140 HydrophobicContact CE1-CG2 3.92Å; F133-I140 HydrophobicContact CZ-CG2 4.11Å; F137-I140 HydrophobicContact CB-CB 3.89Å; F137-I140 HydrophobicContact CB-CG1 3.85Å; F137-I140 PolarHBondContact O-N 2.9Å; F137-I140 VanDerWaalsContact O-N 3.15Å; P138-I140 PolarHBondContact O-N 2.77Å; I140-P142 WeakPolarHBondContact O-CD 3.2Å; I140-G183 CarbonylContact C-O 3.54Å; I140-G183 WeakPolarHBondContact CA-O 3.48Å; I140-A185 HydrophobicContact CG2-CB 3.74Å | ||
| 141 | K | 97.4 | Very high | 95 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 95.4 | -178.7 | -56.9 | 179.8 | -166.2 | -176.7 | 0 | 109.4 | Y143 E181 G183 Y184 A185 | K141-Y143 HydrophobicContact CB-CE2 4.22Å; K141-Y143 WeakPolarHBondContact O-CD2 3.44Å; K141-E181 IonicContact NZ-OE1 2.8Å; K141-E181 PolarHBondContact NZ-OE1 3.02Å; K141-E181 IonicContact NZ-OE2 3.53Å; K141-E181 PolarHBondContact NZ-OE2 2.63Å; K141-G183 PolarHBondContact N-O 3.13Å; K141-Y184 HydrophobicContact CB-CD1 4.11Å; K141-Y184 HydrophobicContact CB-CE1 4.29Å; K141-Y184 HydrophobicContact CD-CD1 4.42Å; K141-Y184 HydrophobicContact CD-CE1 3.9Å; K141-A185 PolarHBondContact O-N 3.42Å |
| 142 | P | 97.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.8 | -178.6 | 32.9 | -35.2 | 0 | 0 | 0 | 110.6 | F126 F133 I140 N164 A185 V187 | F126-P142 HydrophobicContact CB-CB 4.14Å; F126-P142 HydrophobicContact CD1-CB 4.09Å; F126-P142 WeakPolarHBondContact O-CG 3.33Å; F133-P142 HydrophobicContact CD1-CB 4.35Å; F133-P142 HydrophobicContact CD1-CG 3.51Å; F133-P142 HydrophobicContact CD2-CG 4.4Å; F133-P142 HydrophobicContact CE1-CB 3.94Å; F133-P142 VanDerWaalsContact CE1-CD 3.49Å; F133-P142 HydrophobicContact CE1-CG 3.54Å; F133-P142 HydrophobicContact CE2-CB 4.36Å; F133-P142 HydrophobicContact CE2-CG 4.43Å; F133-P142 HydrophobicContact CG-CG 3.99Å; F133-P142 HydrophobicContact CZ-CB 3.94Å; F133-P142 HydrophobicContact CZ-CG 4.02Å; I140-P142 WeakPolarHBondContact O-CD 3.2Å; P142-N164 WeakPolarHBondContact O-CB 3.43Å; P142-N164 PolarHBondContact O-ND2 3.21Å; P142-A185 CarbonylContact C-O 3.57Å; P142-A185 WeakPolarHBondContact CA-O 3.41Å; P142-V187 HydrophobicContact CB-CG2 4.45Å |
| 143 | Y | 98 | Very high | 93.7 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.8 | 171.4 | -79.3 | -99.7 | 0 | 0 | 0 | 109.3 | G72 P75 K141 C145 N164 I166 L176 Y184 A185 V187 | G72-Y143 WeakPolarHBondContact O-CE1 3.43Å; P75-Y143 HydrophobicContact CG-CE1 4.5Å; K141-Y143 HydrophobicContact CB-CE2 4.22Å; K141-Y143 WeakPolarHBondContact O-CD2 3.44Å; Y143-C145 PolarHBondContact O-N 3.4Å; Y143-N164 CarbonylContact C-O 3.53Å; Y143-N164 WeakPolarHBondContact CA-O 3.18Å; Y143-N164 HydrophobicContact CD1-CB 3.83Å; Y143-N164 WeakPolarHBondContact CD1-O 3.46Å; Y143-N164 HydrophobicContact CE1-CB 4.09Å; Y143-N164 HydrophobicContact CG-CB 4.11Å; Y143-I166 HydrophobicContact CD1-CG2 3.79Å; Y143-I166 HydrophobicContact CE1-CG2 4.39Å; Y143-L176 HydrophobicContact CD1-CD1 4.47Å; Y143-L176 HydrophobicContact CD2-CD1 3.94Å; Y143-L176 HydrophobicContact CD2-CD2 3.96Å; Y143-L176 HydrophobicContact CE2-CD1 4.05Å; Y143-L176 HydrophobicContact CG-CD1 4.15Å; Y143-L176 HydrophobicContact CG-CD2 3.83Å; Y143-Y184 HydrophobicContact CD2-CD1 4.08Å; Y143-Y184 AromaticContact CE2-CD1 3.76Å; Y143-Y184 HydrophobicContact CE2-CD1 3.76Å; Y143-Y184 AromaticContact CE2-CE1 3.74Å; Y143-Y184 HydrophobicContact CE2-CE1 3.74Å; Y143-A185 PolarHBondContact N-O 2.85Å; Y143-V187 PolarHBondContact O-N 3.03Å |
| 144 | L | 97.7 | Very high | 93 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.5 | 179.1 | 178.6 | 65.7 | 0 | 0 | 0 | 109.6 | A122 F123 F126 S127 N164 L165 I166 V187 V189 | A122-L144 HydrophobicContact CB-CD1 4.1Å; A122-L144 HydrophobicContact CB-CD2 4.22Å; F123-L144 HydrophobicContact CB-CD2 4.32Å; F126-L144 HydrophobicContact CB-CB 4.37Å; S127-L144 WeakPolarHBondContact OG-CB 2.79Å; S127-L144 WeakPolarHBondContact OG-CD2 3.36Å; L144-N164 PolarHBondContact N-O 3.21Å; L144-L165 HydrophobicContact CB-CD2 3.76Å; L144-L165 HydrophobicContact CD2-CD2 3.91Å; L144-L165 HydrophobicContact CG-CD2 3.93Å; L144-L165 WeakPolarHBondContact O-CA 3.37Å; L144-I166 PolarHBondContact O-N 3.3Å; L144-I166 VanDerWaalsContact O-N 3.14Å; L144-V187 HydrophobicContact CD1-CB 4.04Å; L144-V187 HydrophobicContact CD1-CG1 3.95Å; L144-V189 HydrophobicContact CD1-CG2 4.14Å |
| 145 | C | 96.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125.3 | -179.9 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | Y143 I166 V168 V187 I188 | Y143-C145 PolarHBondContact O-N 3.4Å; C145-I166 WeakPolarHBondContact CA-O 3.3Å; C145-V168 HydrophobicContact CB-CB 3.87Å; C145-V168 HydrophobicContact CB-CG2 3.81Å; C145-V187 VanDerWaalsContact CB-O 3.28Å; C145-V187 WeakPolarHBondContact CB-O 3.3Å; C145-V187 PolarHBondContact N-O 3.09Å; C145-I188 HydrophobicContact CB-CG1 4.25Å |
| 146 | T | 93.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 165.5 | -176.9 | -159.2 | 0 | 0 | 0 | 0 | 112.2 | V148 N150 F151 M160 I166 V168 | T146-V148 PolarHBondContact O-N 3.15Å; T146-N150 HydrophobicContact CG2-CB 4Å; T146-N150 PolarHBondContact OG1-ND2 3.38Å; T146-F151 HydrophobicContact CG2-CE2 3.57Å; T146-F151 HydrophobicContact CG2-CZ 3.66Å; T146-M160 HydrophobicContact CG2-CE 4.4Å; T146-I166 PolarHBondContact N-O 3.15Å; T146-V168 PolarHBondContact O-N 3.06Å |
| 147 | L | 90 | Very high | 91.5 | Very high | 88 Ų | 88 | 40 Ų | 40 | 46% | 0.461 | 22% | 0.216 | S | C | . | . | trans | -60.6 | 137.9 | -179.5 | -66.6 | 173.6 | 0 | 0 | 0 | 110.9 | G149 N150 V168 W261 | L147-G149 PolarHBondContact O-N 3.05Å; L147-N150 VanDerWaalsContact O-CB 3.31Å; L147-N150 WeakPolarHBondContact O-CB 3.42Å; L147-N150 PolarHBondContact O-N 3.45Å; L147-V168 HydrophobicContact CD2-CG1 4.45Å; L147-W261 HydrophobicContact CD1-CB 4.43Å | ||
| 148 | V | 88.4 | Confident | 91.1 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -52.4 | -31.2 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | T146 N150 F151 W152 | T146-V148 PolarHBondContact O-N 3.15Å; V148-N150 PolarHBondContact O-N 2.94Å; V148-N150 VanDerWaalsContact O-N 3.13Å; V148-F151 PolarHBondContact O-N 2.93Å; V148-W152 HydrophobicContact CG1-CZ2 3.91Å |
| 149 | G | 84.5 | Confident | 90.8 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -57.6 | -26.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L147 F151 W152 | L147-G149 PolarHBondContact O-N 3.05Å; G149-F151 PolarHBondContact O-N 2.9Å; G149-W152 PolarHBondContact O-N 3.49Å |
| 150 | N | 86.5 | Confident | 90.6 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -66.8 | -19.6 | 174.8 | -75.8 | -25.1 | 0 | 0 | 0 | 113.1 | T146 L147 V148 R156 M160 | T146-N150 HydrophobicContact CG2-CB 4Å; T146-N150 PolarHBondContact OG1-ND2 3.38Å; L147-N150 VanDerWaalsContact O-CB 3.31Å; L147-N150 WeakPolarHBondContact O-CB 3.42Å; L147-N150 PolarHBondContact O-N 3.45Å; V148-N150 PolarHBondContact O-N 2.94Å; V148-N150 VanDerWaalsContact O-N 3.13Å; N150-R156 PolarHBondContact OD1-NH2 2.89Å; N150-M160 HydrophobicContact CB-CE 3.59Å; N150-M160 HydrophobicContact CB-SD 3.77Å |
| 151 | F | 89.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -101.8 | 1.5 | 179 | -55.5 | -72.6 | 0 | 0 | 0 | 113.7 | P69 T146 V148 G149 R157 M160 M161 L165 | P69-F151 HydrophobicContact CB-CB 4.21Å; P69-F151 HydrophobicContact CB-CD1 3.84Å; P69-F151 HydrophobicContact CB-CD2 3.64Å; P69-F151 HydrophobicContact CB-CE1 4.05Å; P69-F151 HydrophobicContact CB-CE2 3.87Å; P69-F151 HydrophobicContact CB-CG 3.62Å; P69-F151 HydrophobicContact CB-CZ 4.07Å; P69-F151 HydrophobicContact CG-CB 3.76Å; P69-F151 HydrophobicContact CG-CD1 3.79Å; P69-F151 HydrophobicContact CG-CD2 4.16Å; P69-F151 HydrophobicContact CG-CE1 4.41Å; P69-F151 HydrophobicContact CG-CG 3.64Å; T146-F151 HydrophobicContact CG2-CE2 3.57Å; T146-F151 HydrophobicContact CG2-CZ 3.66Å; V148-F151 PolarHBondContact O-N 2.93Å; G149-F151 PolarHBondContact O-N 2.9Å; F151-R157 HydrophobicContact CB-CG 4.18Å; F151-R157 HydrophobicContact CD1-CG 4.44Å; F151-R157 VanDerWaalsContact O-CD 3.29Å; F151-R157 WeakPolarHBondContact O-CD 3.28Å; F151-R157 WeakPolarHBondContact O-CG 3.11Å; F151-M160 HydrophobicContact CD1-CB 4.49Å; F151-M160 HydrophobicContact CE1-CB 4.18Å; F151-M161 HydrophobicContact CD1-CG 4.18Å; F151-M161 HydrophobicContact CE1-CG 4.14Å; F151-L165 HydrophobicContact CE1-CB 4.28Å; F151-L165 HydrophobicContact CZ-CB 4.04Å |
| 152 | W | 85 | Confident | 90.3 | Very high | 167 Ų | 167 | 36.1 Ų | 36.1 | 63% | 0.633 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -75.2 | -25.8 | -179.1 | -67.7 | -11.1 | 0 | 0 | 0 | 113.8 | V148 G149 P154 | V148-W152 HydrophobicContact CG1-CZ2 3.91Å; G149-W152 PolarHBondContact O-N 3.49Å; W152-P154 WeakPolarHBondContact O-CD 3.44Å |
| 153 | F | 82 | Confident | 90.1 | Very high | 61 Ų | 61 | 36 Ų | 36 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -91.9 | 121.8 | -172.4 | -66.5 | -86 | 0 | 0 | 0 | 111.2 | Y36 L39 R156 R157 | Y36-F153 AromaticContact CD1-CD1 3.65Å; Y36-F153 HydrophobicContact CD1-CD1 3.65Å; Y36-F153 HydrophobicContact CD1-CD2 4.48Å; Y36-F153 AromaticContact CD1-CE1 3.42Å; Y36-F153 HydrophobicContact CD1-CE1 3.42Å; Y36-F153 VanDerWaalsContact CD1-CE1 3.42Å; Y36-F153 HydrophobicContact CD1-CE2 4.32Å; Y36-F153 HydrophobicContact CD1-CG 4.17Å; Y36-F153 AromaticContact CD1-CZ 3.8Å; Y36-F153 HydrophobicContact CD1-CZ 3.8Å; Y36-F153 AromaticContact CE1-CD1 3.61Å; Y36-F153 HydrophobicContact CE1-CD1 3.61Å; Y36-F153 AromaticContact CE1-CD2 3.62Å; Y36-F153 HydrophobicContact CE1-CD2 3.62Å; Y36-F153 AromaticContact CE1-CE1 3.36Å; Y36-F153 HydrophobicContact CE1-CE1 3.36Å; Y36-F153 AromaticContact CE1-CE2 3.39Å; Y36-F153 HydrophobicContact CE1-CE2 3.39Å; Y36-F153 AromaticContact CE1-CG 3.73Å; Y36-F153 HydrophobicContact CE1-CG 3.73Å; Y36-F153 AromaticContact CE1-CZ 3.24Å; Y36-F153 HydrophobicContact CE1-CZ 3.24Å; L39-F153 HydrophobicContact CD2-CB 4.47Å; L39-F153 HydrophobicContact CD2-CD1 4.08Å; F153-R156 HydrophobicContact CB-CB 4.21Å; F153-R157 VanDerWaalsContact O-CB 3.27Å; F153-R157 WeakPolarHBondContact O-CB 3.35Å; F153-R157 PolarHBondContact O-N 3.28Å |
| 154 | P | 82.8 | Confident | 90 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 150.9 | 174.9 | -21.1 | 26.1 | 0 | 0 | 0 | 112.3 | L39 Y58 L62 W152 R156 | L39-P154 HydrophobicContact CD1-CB 4.03Å; L39-P154 HydrophobicContact CD1-CG 4.31Å; L39-P154 HydrophobicContact CD2-CG 4.25Å; Y58-P154 HydrophobicContact CD1-CB 4.15Å; Y58-P154 HydrophobicContact CE1-CB 3.44Å; Y58-P154 VanDerWaalsContact CE1-CB 3.44Å; L62-P154 HydrophobicContact CD1-CB 3.93Å; L62-P154 HydrophobicContact CD1-CG 3.76Å; W152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-R156 PolarHBondContact O-N 3.11Å |
| 155 | I | 84.8 | Confident | 89.9 | Confident | 99 Ų | 99 | 35.2 Ų | 35.2 | 51% | 0.508 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -53.2 | -175 | -53.3 | 172.1 | 0 | 0 | 0 | 113.6 | Y58 R157 E158 Y159 | Y58-I155 HydrophobicContact CE1-CG1 4.19Å; Y58-I155 PolarHBondContact OH-N 2.85Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 2.88Å; I155-E158 PolarHBondContact O-N 3.08Å; I155-Y159 PolarHBondContact O-N 3.4Å |
| 156 | R | 85.5 | Confident | 89.9 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.7 | -44.9 | 172.3 | 176.2 | -167 | 175.3 | 159.3 | -5 | 110.1 | L31 F32 P35 Y36 N150 F153 P154 E158 Y159 M160 | L31-R156 PolarHBondContact O-NE 2.92Å; L31-R156 VanDerWaalsContact O-NE 3.14Å; L31-R156 PolarHBondContact O-NH1 2.76Å; L31-R156 PolarHBondContact O-NH2 3.41Å; F32-R156 PolarHBondContact O-NH1 2.99Å; P35-R156 HydrophobicContact CB-CB 4.23Å; P35-R156 HydrophobicContact CG-CB 4.15Å; P35-R156 HydrophobicContact CG-CG 4.08Å; Y36-R156 PolarHBondContact OH-NH1 2.86Å; N150-R156 PolarHBondContact OD1-NH2 2.89Å; F153-R156 HydrophobicContact CB-CB 4.21Å; P154-R156 PolarHBondContact O-N 3.11Å; R156-E158 PolarHBondContact O-N 3.28Å; R156-Y159 WeakPolarHBondContact O-CB 3.14Å; R156-Y159 PolarHBondContact O-N 3.43Å; R156-M160 HydrophobicContact CG-CG 4.12Å; R156-M160 HydrophobicContact CG-SD 3.93Å; R156-M160 PolarHBondContact NE-SD 3.19Å; R156-M160 WeakPolarHBondContact O-CB 3.45Å; R156-M160 WeakPolarHBondContact O-CG 3.46Å; R156-M160 PolarHBondContact O-N 3.41Å |
| 157 | R | 89.9 | Confident | 90 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.8 | -55.7 | 175.5 | 176.9 | -172.5 | 176.4 | -85.1 | -3 | 111.5 | D65 F151 F153 I155 Y159 M160 M161 | D65-R157 PolarHBondContact O-NH2 3.01Å; D65-R157 IonicContact OD2-CZ 2.6Å; D65-R157 VanDerWaalsContact OD2-CZ 3.25Å; D65-R157 IonicContact OD2-NH1 2.8Å; D65-R157 PolarHBondContact OD2-NH1 3.21Å; D65-R157 IonicContact OD2-NH2 2.66Å; D65-R157 PolarHBondContact OD2-NH2 3.09Å; F151-R157 HydrophobicContact CB-CG 4.18Å; F151-R157 HydrophobicContact CD1-CG 4.44Å; F151-R157 VanDerWaalsContact O-CD 3.29Å; F151-R157 WeakPolarHBondContact O-CD 3.28Å; F151-R157 WeakPolarHBondContact O-CG 3.11Å; F153-R157 VanDerWaalsContact O-CB 3.27Å; F153-R157 WeakPolarHBondContact O-CB 3.35Å; F153-R157 PolarHBondContact O-N 3.28Å; I155-R157 VanDerWaalsContact C-N 3.26Å; I155-R157 PolarHBondContact O-N 2.88Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 PolarHBondContact O-N 2.91Å; R157-M160 PolarHBondContact O-N 3.4Å; R157-M161 HydrophobicContact CG-SD 3.98Å; R157-M161 VanDerWaalsContact CZ-SD 3.51Å; R157-M161 VanDerWaalsContact O-CG 3.25Å; R157-M161 WeakPolarHBondContact O-CG 3.38Å; R157-M161 PolarHBondContact O-N 2.97Å |
| 158 | E | 90.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | -179.4 | -54.4 | -56.5 | 147.8 | 0 | 0 | 111 | Y58 W61 R74 I155 R156 M161 C162 | Y58-E158 VanDerWaalsContact OH-CG 3.25Å; Y58-E158 WeakPolarHBondContact OH-CG 3.19Å; Y58-E158 PolarHBondContact OH-OE1 3.43Å; W61-E158 PolarHBondContact NE1-OE1 2.99Å; R74-E158 IonicContact NH1-OE2 3.71Å; R74-E158 PolarHBondContact NH1-OE2 3.2Å; I155-E158 PolarHBondContact O-N 3.08Å; R156-E158 PolarHBondContact O-N 3.28Å; E158-M161 PolarHBondContact O-N 3.14Å; E158-C162 PolarHBondContact O-N 3.15Å; E158-C162 PolarHBondContact O-SG 3.08Å |
| 159 | Y | 91 | Very high | 90.5 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 18% | 0.184 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 177.6 | -170 | -110.9 | 0 | 0 | 0 | 112.1 | H27 L31 I79 W82 Y85 I155 R156 R157 M161 C162 F163 | H27-Y159 AromaticContact CE1-CE1 3.77Å; H27-Y159 AromaticContact CE1-CZ 3.83Å; H27-Y159 PolarHBondContact CE1-OH 3.3Å; H27-Y159 AromaticContact NE2-CE1 3.69Å; H27-Y159 AromaticContact NE2-CZ 3.79Å; H27-Y159 PolarHBondContact NE2-OH 2.89Å; L31-Y159 HydrophobicContact CD1-CD1 4.26Å; L31-Y159 HydrophobicContact CD1-CE1 3.83Å; L31-Y159 HydrophobicContact CD2-CD1 3.63Å; L31-Y159 HydrophobicContact CD2-CE1 3.66Å; L31-Y159 HydrophobicContact CG-CE1 4.38Å; I79-Y159 HydrophobicContact CG2-CE2 4.38Å; W82-Y159 HydrophobicContact CZ3-CE2 4.26Å; Y85-Y159 PolarHBondContact OH-OH 3.2Å; I155-Y159 PolarHBondContact O-N 3.4Å; R156-Y159 WeakPolarHBondContact O-CB 3.14Å; R156-Y159 PolarHBondContact O-N 3.43Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 PolarHBondContact O-N 2.91Å; Y159-M161 VanDerWaalsContact C-N 3.29Å; Y159-M161 PolarHBondContact O-N 2.87Å; Y159-C162 VanDerWaalsContact O-CB 3.27Å; Y159-C162 WeakPolarHBondContact O-CB 3.43Å; Y159-C162 PolarHBondContact O-N 3.03Å; Y159-C162 VanDerWaalsContact O-N 3.16Å; Y159-F163 AromaticContact CD1-CE2 3.78Å; Y159-F163 HydrophobicContact CD1-CE2 3.78Å; Y159-F163 HydrophobicContact CD2-CE2 4.3Å; Y159-F163 AromaticContact CE1-CE2 3.42Å; Y159-F163 HydrophobicContact CE1-CE2 3.42Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.42Å; Y159-F163 AromaticContact CE1-CZ 3.9Å; Y159-F163 HydrophobicContact CE1-CZ 3.9Å; Y159-F163 AromaticContact CE2-CE2 3.99Å; Y159-F163 HydrophobicContact CE2-CE2 3.99Å; Y159-F163 HydrophobicContact CE2-CZ 4.15Å; Y159-F163 HydrophobicContact CG-CE2 4.2Å; Y159-F163 AromaticContact CZ-CE2 3.53Å; Y159-F163 AromaticContact CZ-CZ 3.61Å; Y159-F163 WeakPolarHBondContact O-CD2 3.43Å; Y159-F163 VanDerWaalsContact O-CE2 3.25Å; Y159-F163 WeakPolarHBondContact O-CE2 3.19Å |
| 160 | M | 92.3 | Very high | 91 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.5 | -70.7 | -168.8 | 71.8 | 0 | 0 | 111.4 | T146 N150 F151 R156 R157 C162 F163 L165 | T146-M160 HydrophobicContact CG2-CE 4.4Å; N150-M160 HydrophobicContact CB-CE 3.59Å; N150-M160 HydrophobicContact CB-SD 3.77Å; F151-M160 HydrophobicContact CD1-CB 4.49Å; F151-M160 HydrophobicContact CE1-CB 4.18Å; R156-M160 HydrophobicContact CG-CG 4.12Å; R156-M160 HydrophobicContact CG-SD 3.93Å; R156-M160 PolarHBondContact NE-SD 3.19Å; R156-M160 WeakPolarHBondContact O-CB 3.45Å; R156-M160 WeakPolarHBondContact O-CG 3.46Å; R156-M160 PolarHBondContact O-N 3.41Å; R157-M160 PolarHBondContact O-N 3.4Å; M160-C162 PolarHBondContact O-N 3.47Å; M160-C162 VanDerWaalsContact O-N 3.12Å; M160-F163 PolarHBondContact O-N 3.19Å; M160-L165 HydrophobicContact CB-CD1 3.97Å; M160-L165 HydrophobicContact CE-CD1 3.63Å; M160-L165 HydrophobicContact CG-CD1 4.36Å; M160-L165 WeakPolarHBondContact O-CB 3.26Å; M160-L165 WeakPolarHBondContact O-CD1 3.24Å |
| 161 | M | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -20.4 | 178.6 | -73.3 | 177.2 | 68.1 | 0 | 0 | 113.9 | A68 P69 S73 R74 F151 R157 E158 Y159 F163 | A68-M161 HydrophobicContact CB-CE 3.33Å; A68-M161 HydrophobicContact CB-SD 4.45Å; P69-M161 HydrophobicContact CG-SD 4.2Å; S73-M161 WeakPolarHBondContact OG-CA 3.47Å; S73-M161 WeakPolarHBondContact OG-CB 3.38Å; S73-M161 WeakPolarHBondContact OG-CG 3.38Å; S73-M161 PolarHBondContact OG-O 2.82Å; S73-M161 VanDerWaalsContact OG-O 3.06Å; R74-M161 CarbonylContact C-O 3.51Å; R74-M161 HydrophobicContact CB-CE 4.36Å; R74-M161 HydrophobicContact CG-CE 3.94Å; R74-M161 PolarHBondContact N-O 3.43Å; R74-M161 VanDerWaalsContact O-O 3.12Å; F151-M161 HydrophobicContact CD1-CG 4.18Å; F151-M161 HydrophobicContact CE1-CG 4.14Å; R157-M161 HydrophobicContact CG-SD 3.98Å; R157-M161 VanDerWaalsContact CZ-SD 3.51Å; R157-M161 VanDerWaalsContact O-CG 3.25Å; R157-M161 WeakPolarHBondContact O-CG 3.38Å; R157-M161 PolarHBondContact O-N 2.97Å; E158-M161 PolarHBondContact O-N 3.14Å; Y159-M161 VanDerWaalsContact C-N 3.29Å; Y159-M161 PolarHBondContact O-N 2.87Å; M161-F163 PolarHBondContact O-N 3.08Å |
| 162 | C | 95.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 10% | 0.095 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.9 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | R74 L76 I79 R80 E158 Y159 M160 | R74-C162 WeakPolarHBondContact O-CA 3.38Å; L76-C162 HydrophobicContact CB-CB 4.2Å; L76-C162 HydrophobicContact CD1-CB 4.49Å; L76-C162 HydrophobicContact CG-CB 4.39Å; L76-C162 PolarHBondContact N-O 2.96Å; I79-C162 HydrophobicContact CB-CB 4.44Å; I79-C162 HydrophobicContact CD1-CB 3.87Å; I79-C162 HydrophobicContact CG2-CB 4.39Å; R80-C162 WeakPolarHBondContact CG-O 3.32Å; E158-C162 PolarHBondContact O-N 3.15Å; E158-C162 PolarHBondContact O-SG 3.08Å; Y159-C162 VanDerWaalsContact O-CB 3.27Å; Y159-C162 WeakPolarHBondContact O-CB 3.43Å; Y159-C162 PolarHBondContact O-N 3.03Å; Y159-C162 VanDerWaalsContact O-N 3.16Å; M160-C162 PolarHBondContact O-N 3.47Å; M160-C162 VanDerWaalsContact O-N 3.12Å |
| 163 | F | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 26.9 | -168.6 | -70.9 | -71.6 | 0 | 0 | 0 | 115.6 | I79 R80 Y85 F123 S127 T128 Y159 M160 M161 L165 | I79-F163 HydrophobicContact CG2-CE1 3.62Å; I79-F163 HydrophobicContact CG2-CE2 4.08Å; I79-F163 HydrophobicContact CG2-CZ 3.27Å; R80-F163 HydrophobicContact CG-CD1 4.29Å; Y85-F163 HydrophobicContact CD2-CE1 4.32Å; Y85-F163 HydrophobicContact CE1-CE1 4.34Å; Y85-F163 AromaticContact CE2-CE1 3.37Å; Y85-F163 HydrophobicContact CE2-CE1 3.37Å; Y85-F163 AromaticContact CE2-CZ 3.82Å; Y85-F163 HydrophobicContact CE2-CZ 3.82Å; Y85-F163 AromaticContact CZ-CE1 3.39Å; Y85-F163 AromaticContact CZ-CZ 3.56Å; Y85-F163 VanDerWaalsContact OH-CE1 3.27Å; Y85-F163 WeakPolarHBondContact OH-CE1 3.44Å; Y85-F163 WeakPolarHBondContact OH-CZ 3.46Å; F123-F163 HydrophobicContact CE2-CB 4.19Å; F123-F163 HydrophobicContact CE2-CD1 4.28Å; F123-F163 HydrophobicContact CE2-CG 4.06Å; F123-F163 HydrophobicContact CZ-CD1 4.02Å; F123-F163 HydrophobicContact CZ-CE1 4.33Å; F123-F163 HydrophobicContact CZ-CG 4.18Å; S127-F163 VanDerWaalsContact CA-O 3.23Å; S127-F163 WeakPolarHBondContact CA-O 3.07Å; S127-F163 WeakPolarHBondContact CB-O 3.48Å; S127-F163 PolarHBondContact OG-O 2.73Å; T128-F163 HydrophobicContact CG2-CD1 4.27Å; Y159-F163 AromaticContact CD1-CE2 3.78Å; Y159-F163 HydrophobicContact CD1-CE2 3.78Å; Y159-F163 HydrophobicContact CD2-CE2 4.3Å; Y159-F163 AromaticContact CE1-CE2 3.42Å; Y159-F163 HydrophobicContact CE1-CE2 3.42Å; Y159-F163 VanDerWaalsContact CE1-CE2 3.42Å; Y159-F163 AromaticContact CE1-CZ 3.9Å; Y159-F163 HydrophobicContact CE1-CZ 3.9Å; Y159-F163 AromaticContact CE2-CE2 3.99Å; Y159-F163 HydrophobicContact CE2-CE2 3.99Å; Y159-F163 HydrophobicContact CE2-CZ 4.15Å; Y159-F163 HydrophobicContact CG-CE2 4.2Å; Y159-F163 AromaticContact CZ-CE2 3.53Å; Y159-F163 AromaticContact CZ-CZ 3.61Å; Y159-F163 WeakPolarHBondContact O-CD2 3.43Å; Y159-F163 VanDerWaalsContact O-CE2 3.25Å; Y159-F163 WeakPolarHBondContact O-CE2 3.19Å; M160-F163 PolarHBondContact O-N 3.19Å; M161-F163 PolarHBondContact O-N 3.08Å; F163-L165 HydrophobicContact CB-CD1 3.92Å; F163-L165 HydrophobicContact CB-CG 3.95Å; F163-L165 PolarHBondContact O-N 3.14Å |
| 164 | N | 95.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 34.1 | -168.2 | -62.5 | -2.7 | 0 | 0 | 0 | 112.1 | P75 R80 P142 Y143 L144 | P75-N164 WeakPolarHBondContact CB-OD1 3.48Å; R80-N164 PolarHBondContact NE-ND2 2.8Å; R80-N164 PolarHBondContact NH2-ND2 3.03Å; P142-N164 WeakPolarHBondContact O-CB 3.43Å; P142-N164 PolarHBondContact O-ND2 3.21Å; Y143-N164 CarbonylContact C-O 3.53Å; Y143-N164 WeakPolarHBondContact CA-O 3.18Å; Y143-N164 HydrophobicContact CD1-CB 3.83Å; Y143-N164 WeakPolarHBondContact CD1-O 3.46Å; Y143-N164 HydrophobicContact CE1-CB 4.09Å; Y143-N164 HydrophobicContact CG-CB 4.11Å; L144-N164 PolarHBondContact N-O 3.21Å |
| 165 | L | 96 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.2 | 176.5 | -67.9 | 170.1 | 0 | 0 | 0 | 110 | S73 F123 S127 L144 F151 M160 F163 | S73-L165 WeakPolarHBondContact CB-O 3.41Å; S73-L165 PolarHBondContact OG-O 3.35Å; F123-L165 HydrophobicContact CE2-CD1 4.31Å; S127-L165 WeakPolarHBondContact OG-CD2 3.18Å; L144-L165 HydrophobicContact CB-CD2 3.76Å; L144-L165 HydrophobicContact CD2-CD2 3.91Å; L144-L165 HydrophobicContact CG-CD2 3.93Å; L144-L165 WeakPolarHBondContact O-CA 3.37Å; F151-L165 HydrophobicContact CE1-CB 4.28Å; F151-L165 HydrophobicContact CZ-CB 4.04Å; M160-L165 HydrophobicContact CB-CD1 3.97Å; M160-L165 HydrophobicContact CE-CD1 3.63Å; M160-L165 HydrophobicContact CG-CD1 4.36Å; M160-L165 WeakPolarHBondContact O-CB 3.26Å; M160-L165 WeakPolarHBondContact O-CD1 3.24Å; F163-L165 HydrophobicContact CB-CD1 3.92Å; F163-L165 HydrophobicContact CB-CG 3.95Å; F163-L165 PolarHBondContact O-N 3.14Å |
| 166 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 165.9 | 176.1 | 57.4 | 164 | 0 | 0 | 0 | 111 | P69 Y143 L144 C145 T146 L176 | P69-I166 VanDerWaalsContact O-CA 3.3Å; P69-I166 WeakPolarHBondContact O-CA 3.41Å; P69-I166 VanDerWaalsContact O-CB 3.3Å; P69-I166 WeakPolarHBondContact O-CB 3.31Å; Y143-I166 HydrophobicContact CD1-CG2 3.79Å; Y143-I166 HydrophobicContact CE1-CG2 4.39Å; L144-I166 PolarHBondContact O-N 3.3Å; L144-I166 VanDerWaalsContact O-N 3.14Å; C145-I166 WeakPolarHBondContact CA-O 3.3Å; T146-I166 PolarHBondContact N-O 3.15Å; I166-L176 HydrophobicContact CD1-CB 4.4Å; I166-L176 HydrophobicContact CD1-CD2 3.8Å |
| 167 | D | 94.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.7 | 170.3 | -177.2 | -0.8 | 0 | 0 | 0 | 110.6 | P69 K70 S169 S172 | P69-D167 PolarHBondContact O-N 3.03Å; K70-D167 HydrophobicContact CG-CB 4.1Å; D167-S169 PolarHBondContact O-N 2.96Å; D167-S169 PolarHBondContact OD1-N 3.06Å; D167-S169 WeakPolarHBondContact OD2-CB 3.46Å; D167-S169 PolarHBondContact OD2-OG 3.41Å; D167-S172 VanDerWaalsContact O-CB 3.23Å; D167-S172 WeakPolarHBondContact O-CB 3.39Å; D167-S172 PolarHBondContact O-OG 3.32Å |
| 168 | V | 95.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 30% | 0.297 | 16% | 0.164 | S | C | . | . | trans | -78.7 | 0.5 | 174.5 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | C145 T146 L147 I173 I188 | C145-V168 HydrophobicContact CB-CB 3.87Å; C145-V168 HydrophobicContact CB-CG2 3.81Å; T146-V168 PolarHBondContact O-N 3.06Å; L147-V168 HydrophobicContact CD2-CG1 4.45Å; V168-I173 VanDerWaalsContact O-CD1 3.3Å; V168-I173 WeakPolarHBondContact O-CD1 3.21Å; V168-I188 HydrophobicContact CG2-CG2 4.03Å | ||
| 169 | S | 94.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -58.6 | 148.3 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | D167 E171 S172 I173 | D167-S169 PolarHBondContact O-N 2.96Å; D167-S169 PolarHBondContact OD1-N 3.06Å; D167-S169 WeakPolarHBondContact OD2-CB 3.46Å; D167-S169 PolarHBondContact OD2-OG 3.41Å; S169-E171 PolarHBondContact O-N 3.35Å; S169-S172 PolarHBondContact O-N 2.92Å; S169-S172 VanDerWaalsContact O-N 3.11Å; S169-I173 PolarHBondContact O-N 2.99Å; S169-I173 VanDerWaalsContact O-N 3.08Å |
| 170 | R | 94.6 | Very high | 95.5 | Very high | 132 Ų | 132 | 35.5 Ų | 35.5 | 50% | 0.498 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.5 | -38.1 | 177.5 | -179.4 | 172.9 | 171.6 | -133.2 | -10.9 | 111.8 | I173 S174 | R170-I173 PolarHBondContact O-N 3.18Å; R170-S174 WeakPolarHBondContact O-CB 3.23Å; R170-S174 PolarHBondContact O-N 3.32Å; R170-S174 PolarHBondContact O-OG 2.87Å; R170-S174 VanDerWaalsContact O-OG 3.14Å |
| 171 | E | 95.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 45% | 0.453 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55 | -50.6 | 174.5 | -178.8 | -179.2 | -166.5 | 0 | 0 | 111.3 | K70 S169 W175 | K70-E171 WeakPolarHBondContact CD-OE2 3.21Å; K70-E171 WeakPolarHBondContact CE-OE2 3.4Å; K70-E171 IonicContact NZ-OE2 2.75Å; K70-E171 PolarHBondContact NZ-OE2 3.41Å; S169-E171 PolarHBondContact O-N 3.35Å; E171-W175 WeakPolarHBondContact O-CB 3.42Å; E171-W175 PolarHBondContact O-N 3.07Å |
| 172 | S | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.3 | -45 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 113 | P69 K70 D167 S169 W175 L176 | P69-S172 PolarHBondContact O-OG 3.25Å; K70-S172 WeakPolarHBondContact CA-OG 3.46Å; K70-S172 VanDerWaalsContact O-CA 3.27Å; K70-S172 WeakPolarHBondContact O-CA 3.26Å; K70-S172 WeakPolarHBondContact O-CB 3.49Å; K70-S172 PolarHBondContact O-OG 3.11Å; D167-S172 VanDerWaalsContact O-CB 3.23Å; D167-S172 WeakPolarHBondContact O-CB 3.39Å; D167-S172 PolarHBondContact O-OG 3.32Å; S169-S172 PolarHBondContact O-N 2.92Å; S169-S172 VanDerWaalsContact O-N 3.11Å; S172-W175 PolarHBondContact O-N 3.12Å; S172-L176 PolarHBondContact O-N 3.26Å |
| 173 | I | 97.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 179.3 | -62.9 | 161.1 | 0 | 0 | 0 | 110.4 | L109 V168 S169 R170 W175 L176 L177 A186 I188 T217 | L109-I173 HydrophobicContact CD1-CG2 4.5Å; V168-I173 VanDerWaalsContact O-CD1 3.3Å; V168-I173 WeakPolarHBondContact O-CD1 3.21Å; S169-I173 PolarHBondContact O-N 2.99Å; S169-I173 VanDerWaalsContact O-N 3.08Å; R170-I173 PolarHBondContact O-N 3.18Å; I173-W175 VanDerWaalsContact C-N 3.34Å; I173-W175 PolarHBondContact O-N 3.11Å; I173-L176 PolarHBondContact O-N 3.48Å; I173-L177 HydrophobicContact CG2-CD1 3.56Å; I173-L177 HydrophobicContact CG2-CG 4.27Å; I173-L177 WeakPolarHBondContact O-CB 3.31Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 2.92Å; I173-A186 HydrophobicContact CG2-CB 4.06Å; I173-I188 HydrophobicContact CD1-CD1 3.56Å; I173-I188 HydrophobicContact CD1-CG1 4.23Å; I173-T217 HydrophobicContact CB-CG2 4.15Å; I173-T217 HydrophobicContact CG2-CG2 3.55Å |
| 174 | S | 96.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -41 | 175.5 | -74.5 | 0 | 0 | 0 | 0 | 112 | R170 G178 | R170-S174 WeakPolarHBondContact O-CB 3.23Å; R170-S174 PolarHBondContact O-N 3.32Å; R170-S174 PolarHBondContact O-OG 2.87Å; R170-S174 VanDerWaalsContact O-OG 3.14Å; S174-G178 WeakPolarHBondContact O-CA 3.47Å; S174-G178 PolarHBondContact O-N 3.09Å |
| 175 | W | 96.7 | Very high | 96.2 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 36% | 0.36 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.9 | -177.7 | 93.8 | 0 | 0 | 0 | 111.3 | H71 G72 E171 S172 I173 R179 | H71-W175 VanDerWaalsContact C-CH2 3.41Å; H71-W175 HydrophobicContact CB-CD2 4.27Å; H71-W175 HydrophobicContact CB-CH2 4.42Å; H71-W175 HydrophobicContact CB-CZ2 4.01Å; H71-W175 AromaticContact CD2-CD1 3.39Å; H71-W175 AromaticContact CD2-CE2 3.91Å; H71-W175 AromaticContact CD2-CG 3.7Å; H71-W175 AromaticContact CD2-NE1 3.48Å; H71-W175 PolarHBondContact CD2-NE1 3.12Å; H71-W175 WeakPolarHBondContact O-CH2 3.27Å; H71-W175 WeakPolarHBondContact O-CZ3 3.33Å; G72-W175 VanDerWaalsContact N-CZ3 3.3Å; E171-W175 WeakPolarHBondContact O-CB 3.42Å; E171-W175 PolarHBondContact O-N 3.07Å; S172-W175 PolarHBondContact O-N 3.12Å; I173-W175 VanDerWaalsContact C-N 3.34Å; I173-W175 PolarHBondContact O-N 3.11Å; W175-R179 WeakPolarHBondContact O-CG 3.39Å |
| 176 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -49.8 | -179.2 | -177.3 | 71.3 | 0 | 0 | 0 | 111.7 | Y143 I166 S172 I173 G178 R179 Y184 A186 | Y143-L176 HydrophobicContact CD1-CD1 4.47Å; Y143-L176 HydrophobicContact CD2-CD1 3.94Å; Y143-L176 HydrophobicContact CD2-CD2 3.96Å; Y143-L176 HydrophobicContact CE2-CD1 4.05Å; Y143-L176 HydrophobicContact CG-CD1 4.15Å; Y143-L176 HydrophobicContact CG-CD2 3.83Å; I166-L176 HydrophobicContact CD1-CB 4.4Å; I166-L176 HydrophobicContact CD1-CD2 3.8Å; S172-L176 PolarHBondContact O-N 3.26Å; I173-L176 PolarHBondContact O-N 3.48Å; L176-G178 VanDerWaalsContact C-N 3.31Å; L176-R179 WeakPolarHBondContact O-CG 3.48Å; L176-Y184 HydrophobicContact CD1-CD1 3.48Å; L176-Y184 VanDerWaalsContact CD1-CD1 3.48Å; L176-Y184 HydrophobicContact CD1-CE1 3.86Å; L176-Y184 HydrophobicContact CD1-CG 4.09Å; L176-Y184 HydrophobicContact CG-CD1 4.04Å; L176-Y184 HydrophobicContact CG-CG 4.24Å; L176-A186 HydrophobicContact CD2-CB 4.21Å |
| 177 | L | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.9 | -16.6 | -175.4 | -59.1 | 174.5 | 0 | 0 | 0 | 112.9 | N107 Y108 I173 A186 T221 A223 | N107-L177 HydrophobicContact CB-CD2 4.02Å; N107-L177 PolarHBondContact ND2-O 3.33Å; Y108-L177 WeakPolarHBondContact O-CD2 3.45Å; I173-L177 HydrophobicContact CG2-CD1 3.56Å; I173-L177 HydrophobicContact CG2-CG 4.27Å; I173-L177 WeakPolarHBondContact O-CB 3.31Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 2.92Å; L177-A186 HydrophobicContact CD1-CB 4.14Å; L177-A186 HydrophobicContact CD2-CB 4.1Å; L177-A186 HydrophobicContact CG-CB 4.27Å; L177-T221 HydrophobicContact CB-CG2 4.06Å; L177-T221 HydrophobicContact CD1-CG2 4.34Å; L177-A223 HydrophobicContact CD1-CB 3.75Å; L177-A223 HydrophobicContact CD2-CB 4.27Å; L177-A223 HydrophobicContact CG-CB 4.42Å |
| 178 | G | 94.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 62% | 0.619 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S174 L176 | S174-G178 WeakPolarHBondContact O-CA 3.47Å; S174-G178 PolarHBondContact O-N 3.09Å; L176-G178 VanDerWaalsContact C-N 3.31Å |
| 179 | R | 94.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 42 Ų | 42 | 30% | 0.302 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -62.4 | 150.4 | 177.5 | -68.1 | 179.7 | 64.9 | 161.6 | -0.8 | 111.8 | W175 L176 E181 Y184 | W175-R179 WeakPolarHBondContact O-CG 3.39Å; L176-R179 WeakPolarHBondContact O-CG 3.48Å; R179-E181 VanDerWaalsContact C-N 3.34Å; R179-Y184 HydrophobicContact CB-CD2 4.32Å; R179-Y184 HydrophobicContact CB-CE2 4.01Å; R179-Y184 HydrophobicContact CG-CE2 4.48Å; R179-Y184 PolarHBondContact NE-OH 2.73Å; R179-Y184 PolarHBondContact NH1-OH 2.91Å; R179-Y184 VanDerWaalsContact NH1-OH 3.12Å; R179-Y184 PolarHBondContact NH2-OH 2.75Å |
| 180 | A | 94.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 41.1 Ų | 41.1 | 87% | 0.868 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -62.6 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 181 | E | 96 | Very high | 96.4 | Very high | 97 Ų | 97 | 34.8 Ų | 34.8 | 45% | 0.453 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -69.7 | 139.5 | 172.3 | -174.1 | -178.4 | -159.3 | 0 | 0 | 110.9 | K141 R179 Y184 | K141-E181 IonicContact NZ-OE1 2.8Å; K141-E181 PolarHBondContact NZ-OE1 3.02Å; K141-E181 IonicContact NZ-OE2 3.53Å; K141-E181 PolarHBondContact NZ-OE2 2.63Å; R179-E181 VanDerWaalsContact C-N 3.34Å; E181-Y184 HydrophobicContact CB-CE2 4.1Å; E181-Y184 HydrophobicContact CG-CE2 4.32Å; E181-Y184 WeakPolarHBondContact O-CD2 3.21Å; E181-Y184 WeakPolarHBondContact O-CE2 3.22Å; E181-Y184 PolarHBondContact OE2-OH 3.5Å; E181-Y184 VanDerWaalsContact OE2-OH 3.06Å |
| 182 | K | 96.9 | Very high | 96 | Very high | 100 Ų | 100 | 31 Ų | 31 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | trans | -101.4 | 178.8 | -179.6 | -58.8 | -59.9 | -176.2 | -168.5 | 0 | 112.3 | P104 S105 N107 | P104-K182 CarbonylContact O-C 3.59Å; S105-K182 WeakPolarHBondContact O-CB 3.44Å; S105-K182 VanDerWaalsContact O-CG 3.28Å; S105-K182 WeakPolarHBondContact O-CG 3.41Å; N107-K182 WeakPolarHBondContact OD1-CA 3.39Å | ||
| 183 | G | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 87.5 | 8.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P104 R106 N107 I140 K141 | P104-G183 WeakPolarHBondContact O-CA 3.48Å; P104-G183 PolarHBondContact O-N 2.95Å; P104-G183 VanDerWaalsContact O-N 3.1Å; R106-G183 VanDerWaalsContact O-CA 3.29Å; R106-G183 WeakPolarHBondContact O-CA 3.23Å; R106-G183 PolarHBondContact O-N 3.44Å; N107-G183 PolarHBondContact OD1-N 3.47Å; I140-G183 CarbonylContact C-O 3.54Å; I140-G183 WeakPolarHBondContact CA-O 3.48Å; K141-G183 PolarHBondContact N-O 3.13Å | ||
| 184 | Y | 98.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.8 | 176 | -73 | -75.5 | 0 | 0 | 0 | 111.3 | N107 Y108 K141 Y143 L176 R179 E181 | N107-Y184 CarbonylContact C-O 3.03Å; N107-Y184 VanDerWaalsContact CA-O 3.31Å; N107-Y184 WeakPolarHBondContact CA-O 3.44Å; N107-Y184 PolarHBondContact OD1-N 2.97Å; Y108-Y184 PolarHBondContact N-O 3.49Å; K141-Y184 HydrophobicContact CB-CD1 4.11Å; K141-Y184 HydrophobicContact CB-CE1 4.29Å; K141-Y184 HydrophobicContact CD-CD1 4.42Å; K141-Y184 HydrophobicContact CD-CE1 3.9Å; Y143-Y184 HydrophobicContact CD2-CD1 4.08Å; Y143-Y184 AromaticContact CE2-CD1 3.76Å; Y143-Y184 HydrophobicContact CE2-CD1 3.76Å; Y143-Y184 AromaticContact CE2-CE1 3.74Å; Y143-Y184 HydrophobicContact CE2-CE1 3.74Å; L176-Y184 HydrophobicContact CD1-CD1 3.48Å; L176-Y184 VanDerWaalsContact CD1-CD1 3.48Å; L176-Y184 HydrophobicContact CD1-CE1 3.86Å; L176-Y184 HydrophobicContact CD1-CG 4.09Å; L176-Y184 HydrophobicContact CG-CD1 4.04Å; L176-Y184 HydrophobicContact CG-CG 4.24Å; R179-Y184 HydrophobicContact CB-CD2 4.32Å; R179-Y184 HydrophobicContact CB-CE2 4.01Å; R179-Y184 HydrophobicContact CG-CE2 4.48Å; R179-Y184 PolarHBondContact NE-OH 2.73Å; R179-Y184 PolarHBondContact NH1-OH 2.91Å; R179-Y184 VanDerWaalsContact NH1-OH 3.12Å; R179-Y184 PolarHBondContact NH2-OH 2.75Å; E181-Y184 HydrophobicContact CB-CE2 4.1Å; E181-Y184 HydrophobicContact CG-CE2 4.32Å; E181-Y184 WeakPolarHBondContact O-CD2 3.21Å; E181-Y184 WeakPolarHBondContact O-CE2 3.22Å; E181-Y184 PolarHBondContact OE2-OH 3.5Å; E181-Y184 VanDerWaalsContact OE2-OH 3.06Å |
| 185 | A | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 106.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y108 I110 I140 K141 P142 Y143 | Y108-A185 CarbonylContact O-C 3.56Å; Y108-A185 VanDerWaalsContact O-CA 3.3Å; Y108-A185 WeakPolarHBondContact O-CA 3.37Å; I110-A185 HydrophobicContact CD1-CB 3.98Å; I110-A185 HydrophobicContact CG1-CB 4.26Å; I140-A185 HydrophobicContact CG2-CB 3.74Å; K141-A185 PolarHBondContact O-N 3.42Å; P142-A185 CarbonylContact C-O 3.57Å; P142-A185 WeakPolarHBondContact CA-O 3.41Å; Y143-A185 PolarHBondContact N-O 2.85Å |
| 186 | A | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y108 L109 I110 I173 L176 L177 | Y108-A186 PolarHBondContact O-N 2.8Å; L109-A186 CarbonylContact C-O 3.49Å; L109-A186 WeakPolarHBondContact CA-O 3.48Å; I110-A186 PolarHBondContact N-O 2.83Å; I173-A186 HydrophobicContact CG2-CB 4.06Å; L176-A186 HydrophobicContact CD2-CB 4.21Å; L177-A186 HydrophobicContact CD1-CB 4.14Å; L177-A186 HydrophobicContact CD2-CB 4.1Å; L177-A186 HydrophobicContact CG-CB 4.27Å |
| 187 | V | 98.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.1 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 109.5 | I110 F126 P142 Y143 L144 C145 | I110-V187 HydrophobicContact CB-CB 4.44Å; I110-V187 HydrophobicContact CB-CG1 4.23Å; I110-V187 HydrophobicContact CB-CG2 4.11Å; I110-V187 HydrophobicContact CD1-CG2 4.17Å; I110-V187 HydrophobicContact CG1-CG2 4.36Å; I110-V187 HydrophobicContact CG2-CG1 4.37Å; I110-V187 CarbonylContact O-C 3.46Å; I110-V187 WeakPolarHBondContact O-CA 3.45Å; F126-V187 HydrophobicContact CB-CB 4.5Å; F126-V187 HydrophobicContact CB-CG2 4.04Å; F126-V187 HydrophobicContact CD1-CG1 4.43Å; F126-V187 HydrophobicContact CD1-CG2 3.76Å; F126-V187 HydrophobicContact CD2-CG1 3.73Å; F126-V187 HydrophobicContact CD2-CG2 4.41Å; F126-V187 HydrophobicContact CE1-CG2 4.32Å; F126-V187 HydrophobicContact CE2-CG1 4Å; F126-V187 HydrophobicContact CG-CB 4.31Å; F126-V187 HydrophobicContact CG-CG1 4Å; F126-V187 HydrophobicContact CG-CG2 3.81Å; F126-V187 HydrophobicContact CZ-CG1 4.43Å; P142-V187 HydrophobicContact CB-CG2 4.45Å; Y143-V187 PolarHBondContact O-N 3.03Å; L144-V187 HydrophobicContact CD1-CB 4.04Å; L144-V187 HydrophobicContact CD1-CG1 3.95Å; C145-V187 VanDerWaalsContact CB-O 3.28Å; C145-V187 WeakPolarHBondContact CB-O 3.3Å; C145-V187 PolarHBondContact N-O 3.09Å |
| 188 | I | 97.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.1 | -177.5 | -54.1 | -177.8 | 0 | 0 | 0 | 109.2 | L109 I110 G111 Y112 C145 V168 I173 V190 F214 | L109-I188 HydrophobicContact CD1-CD1 3.99Å; L109-I188 HydrophobicContact CD2-CD1 3.83Å; L109-I188 HydrophobicContact CD2-CG1 4.17Å; L109-I188 HydrophobicContact CG-CD1 4.05Å; I110-I188 PolarHBondContact O-N 2.76Å; G111-I188 WeakPolarHBondContact CA-O 3.3Å; Y112-I188 PolarHBondContact N-O 3.09Å; C145-I188 HydrophobicContact CB-CG1 4.25Å; V168-I188 HydrophobicContact CG2-CG2 4.03Å; I173-I188 HydrophobicContact CD1-CD1 3.56Å; I173-I188 HydrophobicContact CD1-CG1 4.23Å; I188-V190 HydrophobicContact CG2-CG2 4.34Å; I188-V190 PolarHBondContact O-N 3.3Å; I188-F214 HydrophobicContact CD1-CB 3.88Å |
| 189 | V | 96.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 92.8 | 167.9 | -166.2 | 0 | 0 | 0 | 0 | 108.8 | Y112 H115 A122 L144 G191 G192 | Y112-V189 HydrophobicContact CD1-CG1 4.13Å; Y112-V189 HydrophobicContact CD1-CG2 4.31Å; H115-V189 HydrophobicContact CB-CG1 3.49Å; H115-V189 VanDerWaalsContact CB-CG1 3.49Å; H115-V189 WeakPolarHBondContact CD2-CG1 3.03Å; H115-V189 VanDerWaalsContact CG-CG1 3.41Å; A122-V189 HydrophobicContact CB-CG2 4.4Å; L144-V189 HydrophobicContact CD1-CG2 4.14Å; V189-G191 PolarHBondContact O-N 2.91Å; V189-G192 PolarHBondContact O-N 3.01Å |
| 190 | V | 94.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 7% | 0.073 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -39.4 | -157.6 | 179.2 | 0 | 0 | 0 | 0 | 113.5 | Y112 H113 I188 G192 L208 R211 F214 | Y112-V190 PolarHBondContact O-N 2.97Å; H113-V190 VanDerWaalsContact CE1-CB 3.48Å; H113-V190 WeakPolarHBondContact CE1-CB 3.17Å; I188-V190 HydrophobicContact CG2-CG2 4.34Å; I188-V190 PolarHBondContact O-N 3.3Å; V190-G192 VanDerWaalsContact C-N 3.28Å; V190-G192 PolarHBondContact O-N 3.4Å; V190-L208 HydrophobicContact CG1-CD1 3.85Å; V190-R211 HydrophobicContact CG1-CB 3.77Å; V190-R211 HydrophobicContact CG1-CG 4.2Å; V190-F214 HydrophobicContact CG1-CD1 3.7Å; V190-F214 HydrophobicContact CG1-CE1 3.51Å; V190-F214 HydrophobicContact CG1-CZ 4.34Å; V190-F214 HydrophobicContact CG2-CD1 4.25Å; V190-F214 HydrophobicContact CG2-CE1 4.21Å; V190-F214 HydrophobicContact CG2-CG 4.49Å; V190-F214 HydrophobicContact CG2-CZ 4.41Å |
| 191 | G | 88.8 | Confident | 92.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | V189 E195 R211 | V189-G191 PolarHBondContact O-N 2.91Å; G191-E195 WeakPolarHBondContact CA-OE2 3.48Å; G191-R211 PolarHBondContact O-NH2 3.25Å |
| 192 | G | 87.2 | Confident | 91.9 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 19% | 0.186 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | 58.5 | -155.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H115 V189 V190 R194 E195 A196 | H115-G192 WeakPolarHBondContact CD2-CA 3.33Å; V189-G192 PolarHBondContact O-N 3.01Å; V190-G192 VanDerWaalsContact C-N 3.28Å; V190-G192 PolarHBondContact O-N 3.4Å; G192-R194 PolarHBondContact O-N 3.4Å; G192-E195 PolarHBondContact O-N 3.15Å; G192-E195 VanDerWaalsContact O-N 3.09Å; G192-A196 PolarHBondContact O-N 3.03Å; G192-A196 VanDerWaalsContact O-N 3.13Å |
| 193 | A | 82.4 | Confident | 91.7 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 19% | 0.19 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -18.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | L197 | A193-L197 WeakPolarHBondContact O-CG 3.33Å |
| 194 | R | 85.6 | Confident | 91.5 | Very high | 98 Ų | 98 | 21.1 Ų | 21.1 | 37% | 0.37 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -74.6 | -45.2 | 175.2 | -176 | 175.5 | 165.5 | -159.7 | -2.7 | 110.8 | G192 A196 L197 V207 | G192-R194 PolarHBondContact O-N 3.4Å; R194-A196 VanDerWaalsContact C-N 3.33Å; R194-L197 WeakPolarHBondContact O-CB 3.42Å; R194-L197 PolarHBondContact O-N 3.41Å; R194-V207 HydrophobicContact CB-CG1 4.44Å; R194-V207 HydrophobicContact CB-CG2 4.48Å; R194-V207 HydrophobicContact CG-CG1 4.23Å; R194-V207 HydrophobicContact CG-CG2 4.05Å |
| 195 | E | 89.4 | Confident | 91.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -32.4 | 178.5 | -170.7 | 174.3 | 84.7 | 0 | 0 | 111.9 | P114 H115 G191 G192 L197 E198 A199 L206 V207 | P114-E195 WeakPolarHBondContact CA-OE1 3.45Å; H115-E195 HydrophobicContact CB-CB 4.23Å; H115-E195 HydrophobicContact CB-CG 4.33Å; H115-E195 WeakPolarHBondContact CB-OE1 3.37Å; H115-E195 PolarHBondContact N-OE1 3.42Å; G191-E195 WeakPolarHBondContact CA-OE2 3.48Å; G192-E195 PolarHBondContact O-N 3.15Å; G192-E195 VanDerWaalsContact O-N 3.09Å; E195-L197 PolarHBondContact O-N 3.47Å; E195-L197 VanDerWaalsContact O-N 3.12Å; E195-E198 CarbonylContact O-C 3.22Å; E195-E198 WeakPolarHBondContact O-CA 3.4Å; E195-E198 WeakPolarHBondContact O-CB 3.5Å; E195-E198 PolarHBondContact O-N 3.11Å; E195-A199 PolarHBondContact O-N 3.25Å; E195-L206 WeakPolarHBondContact OE2-CA 3.35Å; E195-V207 HydrophobicContact CB-CB 4.1Å; E195-V207 HydrophobicContact CB-CG2 3.82Å; E195-V207 HydrophobicContact CG-CG2 4.3Å; E195-V207 PolarHBondContact OE2-N 3.12Å |
| 196 | A | 86.9 | Confident | 91.3 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -58.4 | -24.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G116 G192 R194 E198 A199 | G116-A196 WeakPolarHBondContact O-CA 3.36Å; G116-A196 WeakPolarHBondContact O-CB 3.5Å; G192-A196 PolarHBondContact O-N 3.03Å; G192-A196 VanDerWaalsContact O-N 3.13Å; R194-A196 VanDerWaalsContact C-N 3.33Å; A196-E198 VanDerWaalsContact C-N 3.35Å; A196-A199 WeakPolarHBondContact O-CB 3.25Å |
| 197 | L | 84.7 | Confident | 91.1 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -78.3 | -21 | 174 | -63.6 | 172.2 | 0 | 0 | 0 | 112.5 | A193 R194 E195 R239 V262 P264 | A193-L197 WeakPolarHBondContact O-CG 3.33Å; R194-L197 WeakPolarHBondContact O-CB 3.42Å; R194-L197 PolarHBondContact O-N 3.41Å; E195-L197 PolarHBondContact O-N 3.47Å; E195-L197 VanDerWaalsContact O-N 3.12Å; L197-R239 PolarHBondContact O-NH2 3Å; L197-V262 HydrophobicContact CD2-CG1 4.06Å; L197-P264 HydrophobicContact CD2-CB 4.38Å |
| 198 | E | 86.2 | Confident | 91 | Very high | 61 Ų | 61 | 22.1 Ų | 22.1 | 29% | 0.285 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -92.9 | 5 | 176.3 | -52.7 | -58.9 | 156.9 | 0 | 0 | 112.4 | E195 A196 Y200 T203 T205 | E195-E198 CarbonylContact O-C 3.22Å; E195-E198 WeakPolarHBondContact O-CA 3.4Å; E195-E198 WeakPolarHBondContact O-CB 3.5Å; E195-E198 PolarHBondContact O-N 3.11Å; A196-E198 VanDerWaalsContact C-N 3.35Å; E198-Y200 VanDerWaalsContact C-N 3.33Å; E198-Y200 WeakPolarHBondContact O-CD2 3.47Å; E198-Y200 PolarHBondContact O-N 2.91Å; E198-T203 PolarHBondContact O-OG1 2.87Å; E198-T205 HydrophobicContact CB-CG2 4.09Å; E198-T205 HydrophobicContact CG-CG2 4.29Å |
| 199 | A | 88.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -76.4 | 78.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V117 E195 A196 N234 R239 | V117-A199 HydrophobicContact CG2-CB 4.22Å; E195-A199 PolarHBondContact O-N 3.25Å; A196-A199 WeakPolarHBondContact O-CB 3.25Å; A199-N234 WeakPolarHBondContact CB-OD1 3.04Å; A199-R239 WeakPolarHBondContact O-CG 3.39Å | ||
| 200 | Y | 89.4 | Confident | 90.7 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | trans | -101.7 | 143.7 | 174.5 | -68 | -91.3 | 0 | 0 | 0 | 110.5 | E198 G202 T203 N234 R239 N242 | E198-Y200 VanDerWaalsContact C-N 3.33Å; E198-Y200 WeakPolarHBondContact O-CD2 3.47Å; E198-Y200 PolarHBondContact O-N 2.91Å; Y200-G202 PolarHBondContact O-N 3.16Å; Y200-T203 PolarHBondContact N-OG1 3.38Å; Y200-T203 PolarHBondContact O-N 3.4Å; Y200-T203 VanDerWaalsContact O-N 3.12Å; Y200-T203 PolarHBondContact O-OG1 3.13Å; Y200-N234 WeakPolarHBondContact O-CB 3.17Å; Y200-R239 HydrophobicContact CD1-CB 3.62Å; Y200-R239 HydrophobicContact CD1-CG 4.09Å; Y200-R239 HydrophobicContact CE1-CB 3.51Å; Y200-R239 HydrophobicContact CE1-CG 4.17Å; Y200-R239 HydrophobicContact CG-CB 4.5Å; Y200-N242 PolarHBondContact OH-ND2 2.63Å | ||
| 201 | P | 91.4 | Very high | 90.7 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.3 | 172.9 | -26.6 | 34.4 | 0 | 0 | 0 | 112.3 | T203 D235 Y237 | P201-T203 PolarHBondContact O-N 2.92Å; P201-D235 WeakPolarHBondContact CA-OD1 3.2Å; P201-Y237 WeakPolarHBondContact CD-O 3.49Å; P201-Y237 VanDerWaalsContact CG-O 3.25Å; P201-Y237 WeakPolarHBondContact CG-O 3.42Å |
| 202 | G | 91.4 | Very high | 91.1 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | -0.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y200 D235 | Y200-G202 PolarHBondContact O-N 3.16Å; G202-D235 PolarHBondContact N-OD1 2.81Å |
| 203 | T | 92 | Very high | 91.5 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | trans | -101.7 | 146.7 | 179.9 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | E198 Y200 P201 N234 | E198-T203 PolarHBondContact O-OG1 2.87Å; Y200-T203 PolarHBondContact N-OG1 3.38Å; Y200-T203 PolarHBondContact O-N 3.4Å; Y200-T203 VanDerWaalsContact O-N 3.12Å; Y200-T203 PolarHBondContact O-OG1 3.13Å; P201-T203 PolarHBondContact O-N 2.92Å; T203-N234 PolarHBondContact O-ND2 3.41Å | ||
| 204 | H | 95 | Very high | 92.2 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 60 | -176.1 | -65.3 | -81.7 | 0 | 0 | 0 | 109.4 | Y229 F321 L336 V337 | H204-Y229 VanDerWaalsContact CB-OH 3.26Å; H204-Y229 WeakPolarHBondContact CB-OH 3.34Å; H204-Y229 AromaticContact ND1-CE1 3.87Å; H204-Y229 AromaticContact ND1-CZ 3.74Å; H204-Y229 PolarHBondContact ND1-OH 2.9Å; H204-F321 HydrophobicContact CB-CE2 3.8Å; H204-F321 HydrophobicContact CB-CZ 4.03Å; H204-F321 AromaticContact CG-CE2 3.53Å; H204-F321 AromaticContact CG-CZ 3.92Å; H204-F321 AromaticContact ND1-CE2 3.53Å; H204-L336 HydrophobicContact CB-CD1 4.34Å; H204-L336 WeakPolarHBondContact O-CA 3.27Å; H204-L336 WeakPolarHBondContact O-CD1 3.44Å; H204-V337 PolarHBondContact O-N 3.38Å |
| 205 | T | 94.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 35.8 Ų | 35.8 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.9 | -178.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | E198 V337 L339 | E198-T205 HydrophobicContact CB-CG2 4.09Å; E198-T205 HydrophobicContact CG-CG2 4.29Å; T205-V337 CarbonylContact C-O 3.59Å; T205-V337 WeakPolarHBondContact CA-O 3.38Å; T205-V337 HydrophobicContact CG2-CB 4.47Å; T205-V337 HydrophobicContact CG2-CG1 4.43Å; T205-L339 HydrophobicContact CG2-CD1 3.48Å; T205-L339 VanDerWaalsContact CG2-CD1 3.48Å; T205-L339 HydrophobicContact CG2-CG 3.8Å |
| 206 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.7 | 176.5 | -55.5 | -172.6 | 0 | 0 | 0 | 111.4 | H113 P114 E195 L208 Y229 I317 L336 V337 I338 L339 | H113-L206 HydrophobicContact CB-CD1 3.96Å; H113-L206 HydrophobicContact CB-CD2 3.75Å; P114-L206 HydrophobicContact CB-CD2 3.79Å; E195-L206 WeakPolarHBondContact OE2-CA 3.35Å; L206-L208 HydrophobicContact CB-CB 4.45Å; L206-Y229 HydrophobicContact CD1-CE2 4.11Å; L206-Y229 HydrophobicContact CD2-CE2 4.2Å; L206-Y229 HydrophobicContact CG-CE2 4.47Å; L206-I317 HydrophobicContact CD1-CG2 3.73Å; L206-L336 HydrophobicContact CD1-CD1 3.79Å; L206-L336 HydrophobicContact CG-CD1 3.76Å; L206-V337 PolarHBondContact N-O 3.14Å; L206-I338 CarbonylContact O-C 3.41Å; L206-I338 WeakPolarHBondContact O-CA 3.32Å; L206-L339 PolarHBondContact O-N 3.44Å |
| 207 | V | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | trans | -96.5 | 90.3 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 108 | R194 E195 R211 L339 | R194-V207 HydrophobicContact CB-CG1 4.44Å; R194-V207 HydrophobicContact CB-CG2 4.48Å; R194-V207 HydrophobicContact CG-CG1 4.23Å; R194-V207 HydrophobicContact CG-CG2 4.05Å; E195-V207 HydrophobicContact CB-CB 4.1Å; E195-V207 HydrophobicContact CB-CG2 3.82Å; E195-V207 HydrophobicContact CG-CG2 4.3Å; E195-V207 PolarHBondContact OE2-N 3.12Å; V207-R211 WeakPolarHBondContact O-CG 3.45Å; V207-L339 CarbonylContact C-O 3.6Å | ||
| 208 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -133.3 | -26.2 | -168.7 | -177.6 | 57.6 | 0 | 0 | 0 | 114.1 | V190 L206 K210 R211 F214 H310 Y313 V314 I338 L339 | V190-L208 HydrophobicContact CG1-CD1 3.85Å; L206-L208 HydrophobicContact CB-CB 4.45Å; L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 2.93Å; L208-R211 HydrophobicContact CD1-CB 4.41Å; L208-R211 PolarHBondContact O-N 3.33Å; L208-F214 HydrophobicContact CD1-CE1 3.82Å; L208-F214 HydrophobicContact CD1-CZ 4.03Å; L208-H310 PolarHBondContact O-CE1 3.25Å; L208-H310 PolarHBondContact O-NE2 3.47Å; L208-Y313 HydrophobicContact CD1-CD1 4.43Å; L208-Y313 HydrophobicContact CD1-CE1 4.16Å; L208-Y313 HydrophobicContact CD2-CD1 4.26Å; L208-Y313 HydrophobicContact CD2-CE1 4.07Å; L208-V314 HydrophobicContact CD2-CG2 3.75Å; L208-V314 HydrophobicContact CG-CG2 4Å; L208-I338 HydrophobicContact CB-CG2 3.82Å; L208-L339 PolarHBondContact N-O 3.34Å | ||
| 209 | N | 94.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 37 Ų | 37 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -42.2 | -172.3 | -72.3 | -32.6 | 0 | 0 | 0 | 112.7 | H310 I338 L339 | N209-H310 PolarHBondContact O-CE1 3.4Å; N209-I338 PolarHBondContact ND2-O 3.06Å; N209-I338 WeakPolarHBondContact OD1-CG2 3.33Å; N209-L339 WeakPolarHBondContact CB-O 3.37Å; N209-L339 WeakPolarHBondContact CB-OXT 3.13Å; N209-L339 PolarHBondContact N-O 3.16Å; N209-L339 WeakPolarHBondContact ND2-CA 3.43Å; N209-L339 PolarHBondContact ND2-OXT 3.4Å |
| 210 | K | 93.7 | Very high | 95.3 | Very high | 177 Ų | 177 | 38.3 Ų | 38.3 | 77% | 0.77 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5.8 | -180 | -60.3 | -172.8 | -179 | -176.5 | 0 | 113.4 | L208 K212 | L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 2.93Å; K210-K212 PolarHBondContact O-N 2.81Å; K210-K212 VanDerWaalsContact O-N 3.08Å |
| 211 | R | 94.5 | Very high | 95.6 | Very high | 99 Ų | 99 | 36.8 Ų | 36.8 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | trans | -86.6 | 74 | -175.7 | -64 | -60.4 | -166.2 | 170.1 | 7.7 | 110.8 | V190 G191 V207 L208 F214 | V190-R211 HydrophobicContact CG1-CB 3.77Å; V190-R211 HydrophobicContact CG1-CG 4.2Å; G191-R211 PolarHBondContact O-NH2 3.25Å; V207-R211 WeakPolarHBondContact O-CG 3.45Å; L208-R211 HydrophobicContact CD1-CB 4.41Å; L208-R211 PolarHBondContact O-N 3.33Å; R211-F214 VanDerWaalsContact O-CD1 3.31Å; R211-F214 WeakPolarHBondContact O-CD1 3.19Å; R211-F214 WeakPolarHBondContact O-CE1 3.2Å | ||
| 212 | K | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 27% | 0.265 | 19% | 0.188 | S | C | . | . | trans | -98.2 | -4.1 | -179.8 | -61.6 | -178.6 | 178.4 | 178.9 | 0 | 114.4 | K210 F214 I215 K216 I306 D307 H310 | K210-K212 PolarHBondContact O-N 2.81Å; K210-K212 VanDerWaalsContact O-N 3.08Å; K212-F214 PolarHBondContact O-N 3.18Å; K212-I215 WeakPolarHBondContact O-CB 3.26Å; K212-I215 PolarHBondContact O-N 2.78Å; K212-K216 PolarHBondContact O-N 2.93Å; K212-I306 HydrophobicContact CB-CG2 3.85Å; K212-I306 HydrophobicContact CD-CG2 4.26Å; K212-I306 HydrophobicContact CG-CG2 4.45Å; K212-D307 WeakPolarHBondContact CD-OD1 3.41Å; K212-D307 WeakPolarHBondContact CE-OD1 3.47Å; K212-D307 VanDerWaalsContact NZ-CG 3.28Å; K212-D307 IonicContact NZ-OD1 3.29Å; K212-D307 PolarHBondContact NZ-OD1 2.85Å; K212-D307 IonicContact NZ-OD2 2.78Å; K212-H310 HydrophobicContact CG-CB 4.41Å | ||
| 213 | G | 96 | Very high | 96.2 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 53% | 0.526 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -41.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K216 T217 | G213-K216 WeakPolarHBondContact O-CB 3.44Å; G213-K216 PolarHBondContact O-N 2.73Å; G213-T217 PolarHBondContact O-N 2.94Å; G213-T217 PolarHBondContact O-OG1 2.95Å; G213-T217 VanDerWaalsContact O-OG1 3.14Å |
| 214 | F | 96.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -34.1 | 178.4 | 77.5 | -84.7 | 0 | 0 | 0 | 112.5 | L109 I188 V190 L208 R211 K212 T217 A218 L225 Y313 | L109-F214 HydrophobicContact CD1-CB 4.32Å; L109-F214 WeakPolarHBondContact CD1-O 3.44Å; L109-F214 HydrophobicContact CD2-CB 4.28Å; L109-F214 HydrophobicContact CD2-CD2 3.78Å; L109-F214 HydrophobicContact CD2-CG 4.48Å; I188-F214 HydrophobicContact CD1-CB 3.88Å; V190-F214 HydrophobicContact CG1-CD1 3.7Å; V190-F214 HydrophobicContact CG1-CE1 3.51Å; V190-F214 HydrophobicContact CG1-CZ 4.34Å; V190-F214 HydrophobicContact CG2-CD1 4.25Å; V190-F214 HydrophobicContact CG2-CE1 4.21Å; V190-F214 HydrophobicContact CG2-CG 4.49Å; V190-F214 HydrophobicContact CG2-CZ 4.41Å; L208-F214 HydrophobicContact CD1-CE1 3.82Å; L208-F214 HydrophobicContact CD1-CZ 4.03Å; R211-F214 VanDerWaalsContact O-CD1 3.31Å; R211-F214 WeakPolarHBondContact O-CD1 3.19Å; R211-F214 WeakPolarHBondContact O-CE1 3.2Å; K212-F214 PolarHBondContact O-N 3.18Å; F214-T217 PolarHBondContact O-N 3.29Å; F214-A218 PolarHBondContact O-N 3.48Å; F214-L225 HydrophobicContact CD2-CD2 3.8Å; F214-L225 HydrophobicContact CE2-CD2 3.84Å; F214-Y313 HydrophobicContact CE2-CD1 4.19Å; F214-Y313 HydrophobicContact CE2-CD2 4.2Å; F214-Y313 AromaticContact CE2-CE1 4Å; F214-Y313 HydrophobicContact CE2-CE1 4Å; F214-Y313 HydrophobicContact CE2-CE2 4Å; F214-Y313 HydrophobicContact CE2-CG 4.29Å; F214-Y313 AromaticContact CE2-CZ 3.9Å; F214-Y313 AromaticContact CZ-CD1 3.71Å; F214-Y313 HydrophobicContact CZ-CD1 3.71Å; F214-Y313 AromaticContact CZ-CE1 3.57Å; F214-Y313 HydrophobicContact CZ-CE1 3.57Å; F214-Y313 HydrophobicContact CZ-CE2 4.41Å; F214-Y313 HydrophobicContact CZ-CG 4.2Å; F214-Y313 AromaticContact CZ-CZ 3.94Å |
| 215 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 173 | -56.3 | -65.6 | 0 | 0 | 0 | 109.9 | K212 T217 A218 I219 L225 I306 L309 H310 Y313 | K212-I215 WeakPolarHBondContact O-CB 3.26Å; K212-I215 PolarHBondContact O-N 2.78Å; I215-T217 VanDerWaalsContact C-N 3.31Å; I215-T217 PolarHBondContact O-N 2.61Å; I215-A218 PolarHBondContact O-N 3.08Å; I215-I219 HydrophobicContact CG2-CD1 4.13Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 2.98Å; I215-L225 HydrophobicContact CD1-CD1 3.45Å; I215-L225 VanDerWaalsContact CD1-CD1 3.45Å; I215-L225 HydrophobicContact CD1-CD2 4.28Å; I215-I306 HydrophobicContact CB-CG2 4.42Å; I215-I306 HydrophobicContact CG2-CG2 4.17Å; I215-L309 HydrophobicContact CG2-CB 3.89Å; I215-L309 HydrophobicContact CG2-CD2 3.83Å; I215-L309 HydrophobicContact CG2-CG 3.91Å; I215-H310 HydrophobicContact CD1-CB 4.42Å; I215-H310 HydrophobicContact CG1-CB 3.95Å; I215-H310 HydrophobicContact CG2-CB 4.42Å; I215-Y313 HydrophobicContact CD1-CG 4.13Å |
| 216 | K | 97.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 31 Ų | 31 | 36% | 0.361 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 174.8 | -177 | 175.3 | -178.2 | 170.3 | 0 | 111.7 | K212 G213 I219 Q220 P301 I306 | K212-K216 PolarHBondContact O-N 2.93Å; G213-K216 WeakPolarHBondContact O-CB 3.44Å; G213-K216 PolarHBondContact O-N 2.73Å; K216-I219 PolarHBondContact O-N 2.92Å; K216-Q220 VanDerWaalsContact O-CG 3.31Å; K216-Q220 WeakPolarHBondContact O-CG 3.48Å; K216-Q220 PolarHBondContact O-N 3.47Å; K216-P301 HydrophobicContact CG-CG 4.07Å; K216-I306 HydrophobicContact CB-CD1 4.07Å; K216-I306 HydrophobicContact CB-CG1 4.42Å; K216-I306 HydrophobicContact CD-CD1 4.16Å; K216-I306 HydrophobicContact CG-CD1 4.05Å |
| 217 | T | 97.3 | Very high | 97 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | L109 I173 G213 F214 I215 Q220 T221 | L109-T217 HydrophobicContact CD1-CG2 4.46Å; I173-T217 HydrophobicContact CB-CG2 4.15Å; I173-T217 HydrophobicContact CG2-CG2 3.55Å; G213-T217 PolarHBondContact O-N 2.94Å; G213-T217 PolarHBondContact O-OG1 2.95Å; G213-T217 VanDerWaalsContact O-OG1 3.14Å; F214-T217 PolarHBondContact O-N 3.29Å; I215-T217 VanDerWaalsContact C-N 3.31Å; I215-T217 PolarHBondContact O-N 2.61Å; T217-Q220 PolarHBondContact O-N 3.35Å; T217-T221 HydrophobicContact CG2-CG2 4.31Å; T217-T221 WeakPolarHBondContact O-CB 3.36Å; T217-T221 WeakPolarHBondContact O-CG2 3.47Å; T217-T221 PolarHBondContact O-N 3.1Å; T217-T221 PolarHBondContact O-OG1 3.4Å |
| 218 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L109 F214 I215 Q220 T221 G222 A223 L225 V295 | L109-A218 HydrophobicContact CB-CB 4.5Å; L109-A218 HydrophobicContact CD1-CB 4.13Å; F214-A218 PolarHBondContact O-N 3.48Å; I215-A218 PolarHBondContact O-N 3.08Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 2.91Å; A218-T221 PolarHBondContact O-N 2.87Å; A218-T221 PolarHBondContact O-OG1 2.79Å; A218-G222 WeakPolarHBondContact O-CA 3.42Å; A218-G222 PolarHBondContact O-N 2.56Å; A218-A223 PolarHBondContact O-N 2.69Å; A218-L225 HydrophobicContact CB-CD1 4.33Å; A218-L225 HydrophobicContact CB-CD2 3.55Å; A218-L225 HydrophobicContact CB-CG 3.76Å; A218-V295 HydrophobicContact CB-CG2 4.46Å |
| 219 | I | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.4 | -61.8 | 164.4 | 0 | 0 | 0 | 111.6 | I215 K216 T221 V295 Q297 S298 P301 I306 L309 | I215-I219 HydrophobicContact CG2-CD1 4.13Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 2.98Å; K216-I219 PolarHBondContact O-N 2.92Å; I219-T221 VanDerWaalsContact C-N 3.34Å; I219-T221 PolarHBondContact O-N 3.25Å; I219-V295 HydrophobicContact CB-CG1 4.3Å; I219-V295 HydrophobicContact CG1-CG1 3.97Å; I219-Q297 CarbonylContact O-C 3.47Å; I219-Q297 VanDerWaalsContact O-CA 3.23Å; I219-Q297 WeakPolarHBondContact O-CA 3.34Å; I219-Q297 WeakPolarHBondContact O-CG 3.44Å; I219-S298 PolarHBondContact O-N 2.93Å; I219-P301 HydrophobicContact CB-CB 4.23Å; I219-P301 HydrophobicContact CB-CG 4.43Å; I219-P301 HydrophobicContact CD1-CB 4.21Å; I219-P301 HydrophobicContact CG2-CB 3.64Å; I219-P301 HydrophobicContact CG2-CG 4.17Å; I219-I306 HydrophobicContact CD1-CG1 3.94Å; I219-L309 HydrophobicContact CD1-CD2 3.9Å; I219-L309 HydrophobicContact CG1-CD2 3.51Å |
| 220 | Q | 97.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.5 | -30 | -178.1 | -71.2 | 179.1 | -44.6 | 0 | 0 | 113.7 | K216 T217 A218 Q297 S298 D299 P301 | K216-Q220 VanDerWaalsContact O-CG 3.31Å; K216-Q220 WeakPolarHBondContact O-CG 3.48Å; K216-Q220 PolarHBondContact O-N 3.47Å; T217-Q220 PolarHBondContact O-N 3.35Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 2.91Å; Q220-Q297 PolarHBondContact O-NE2 3.3Å; Q220-Q297 VanDerWaalsContact O-NE2 3.12Å; Q220-S298 WeakPolarHBondContact CA-O 3.22Å; Q220-D299 PolarHBondContact NE2-O 3.28Å; Q220-P301 HydrophobicContact CG-CG 3.99Å |
| 221 | T | 97.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 14% | 0.141 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -93 | -14.4 | -179.8 | 55 | 0 | 0 | 0 | 0 | 113.1 | L177 T217 A218 I219 A223 | L177-T221 HydrophobicContact CB-CG2 4.06Å; L177-T221 HydrophobicContact CD1-CG2 4.34Å; T217-T221 HydrophobicContact CG2-CG2 4.31Å; T217-T221 WeakPolarHBondContact O-CB 3.36Å; T217-T221 WeakPolarHBondContact O-CG2 3.47Å; T217-T221 PolarHBondContact O-N 3.1Å; T217-T221 PolarHBondContact O-OG1 3.4Å; A218-T221 PolarHBondContact O-N 2.87Å; A218-T221 PolarHBondContact O-OG1 2.79Å; I219-T221 VanDerWaalsContact C-N 3.34Å; I219-T221 PolarHBondContact O-N 3.25Å; T221-A223 PolarHBondContact O-N 2.73Å |
| 222 | G | 97.4 | Very high | 97.7 | Very high | 17 Ų | 17 | 14.6 Ų | 14.6 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 16.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A218 | A218-G222 WeakPolarHBondContact O-CA 3.42Å; A218-G222 PolarHBondContact O-N 2.56Å |
| 223 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 134.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N107 L109 L177 A218 T221 V295 | N107-A223 HydrophobicContact CB-CB 4.25Å; N107-A223 CarbonylContact O-C 3.54Å; N107-A223 VanDerWaalsContact O-CA 3.28Å; N107-A223 WeakPolarHBondContact O-CA 3.47Å; L109-A223 HydrophobicContact CB-CB 4.5Å; L177-A223 HydrophobicContact CD1-CB 3.75Å; L177-A223 HydrophobicContact CD2-CB 4.27Å; L177-A223 HydrophobicContact CG-CB 4.42Å; A218-A223 PolarHBondContact O-N 2.69Å; T221-A223 PolarHBondContact O-N 2.73Å; A223-V295 WeakPolarHBondContact O-CB 3.31Å; A223-V295 WeakPolarHBondContact O-CG2 3.31Å |
| 224 | D | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 9.7 Ų | 9.7 | 4% | 0.037 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.1 | 178.8 | -71.9 | -11.5 | 0 | 0 | 0 | 110.4 | R106 N107 Y108 L109 P292 I293 Y294 V295 | R106-D224 IonicContact CZ-OD1 2.8Å; R106-D224 IonicContact CZ-OD2 3.38Å; R106-D224 IonicContact NE-OD1 3.68Å; R106-D224 IonicContact NE-OD2 2.83Å; R106-D224 PolarHBondContact NE-OD2 3.14Å; R106-D224 VanDerWaalsContact NH2-CG 3.31Å; R106-D224 IonicContact NH2-OD1 2.87Å; R106-D224 PolarHBondContact NH2-OD1 2.87Å; R106-D224 IonicContact NH2-OD2 2.76Å; R106-D224 PolarHBondContact NH2-OD2 2.78Å; R106-D224 VanDerWaalsContact NH2-OD2 3.16Å; N107-D224 PolarHBondContact O-N 3.49Å; Y108-D224 CarbonylContact C-O 3.56Å; Y108-D224 VanDerWaalsContact CA-O 3.29Å; Y108-D224 WeakPolarHBondContact CA-O 3.13Å; Y108-D224 HydrophobicContact CD1-CB 3.76Å; Y108-D224 HydrophobicContact CE1-CB 3.81Å; L109-D224 PolarHBondContact N-O 3.49Å; D224-P292 HydrophobicContact CB-CB 4.38Å; D224-I293 WeakPolarHBondContact CA-O 3.33Å; D224-I293 WeakPolarHBondContact CB-O 3.4Å; D224-Y294 WeakPolarHBondContact OD1-CA 3.18Å; D224-V295 PolarHBondContact OD1-N 3.36Å |
| 225 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140 | 178 | -71.8 | 167 | 0 | 0 | 0 | 109.9 | L109 F214 I215 A218 P292 I293 V295 L309 Y313 | L109-L225 HydrophobicContact CB-CD2 4.2Å; L109-L225 HydrophobicContact CD2-CD2 4.02Å; L109-L225 HydrophobicContact CG-CD2 4.49Å; L109-L225 CarbonylContact O-C 3.47Å; L109-L225 WeakPolarHBondContact O-CA 3.4Å; F214-L225 HydrophobicContact CD2-CD2 3.8Å; F214-L225 HydrophobicContact CE2-CD2 3.84Å; I215-L225 HydrophobicContact CD1-CD1 3.45Å; I215-L225 VanDerWaalsContact CD1-CD1 3.45Å; I215-L225 HydrophobicContact CD1-CD2 4.28Å; A218-L225 HydrophobicContact CB-CD1 4.33Å; A218-L225 HydrophobicContact CB-CD2 3.55Å; A218-L225 HydrophobicContact CB-CG 3.76Å; L225-P292 CarbonylContact O-C 3.56Å; L225-P292 WeakPolarHBondContact O-CA 3.33Å; L225-I293 HydrophobicContact CB-CB 4.14Å; L225-I293 HydrophobicContact CB-CD1 4.46Å; L225-I293 HydrophobicContact CB-CG1 4.32Å; L225-I293 PolarHBondContact N-O 3.48Å; L225-I293 PolarHBondContact O-N 3.24Å; L225-V295 HydrophobicContact CB-CG2 4.49Å; L225-V295 HydrophobicContact CD1-CG2 4.26Å; L225-V295 HydrophobicContact CG-CG2 4.02Å; L225-L309 HydrophobicContact CD1-CD1 3.99Å; L225-L309 HydrophobicContact CD1-CD2 3.7Å; L225-L309 HydrophobicContact CD1-CG 3.66Å; L225-Y313 HydrophobicContact CB-CD2 4.08Å; L225-Y313 HydrophobicContact CB-CE2 4.49Å; L225-Y313 HydrophobicContact CD1-CD2 4.25Å |
| 226 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.4 | 174 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | L102 Y108 L109 I110 G111 I289 G290 P292 | L102-V226 HydrophobicContact CD2-CG2 4.09Å; Y108-V226 HydrophobicContact CD1-CG2 3.57Å; Y108-V226 HydrophobicContact CE1-CG2 4.38Å; Y108-V226 HydrophobicContact CG-CG2 4.21Å; L109-V226 PolarHBondContact O-N 3.13Å; I110-V226 CarbonylContact C-O 3.54Å; I110-V226 VanDerWaalsContact CA-O 3.31Å; I110-V226 WeakPolarHBondContact CA-O 3.47Å; I110-V226 HydrophobicContact CB-CB 4.39Å; I110-V226 HydrophobicContact CG1-CB 4.05Å; I110-V226 HydrophobicContact CG1-CG2 4.37Å; I110-V226 HydrophobicContact CG2-CB 4.34Å; G111-V226 PolarHBondContact N-O 2.95Å; V226-I289 HydrophobicContact CG1-CG2 3.57Å; V226-G290 WeakPolarHBondContact CG1-O 3.32Å; V226-P292 HydrophobicContact CG2-CB 4.23Å |
| 227 | P | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.8 | 172.9 | 27.7 | -29.2 | 0 | 0 | 0 | 110.4 | G290 K291 Y313 Q316 I317 | P227-G290 WeakPolarHBondContact O-CA 3.45Å; P227-G290 PolarHBondContact O-N 2.83Å; P227-K291 WeakPolarHBondContact CD-O 3.46Å; P227-Y313 HydrophobicContact CB-CE2 4.09Å; P227-Q316 HydrophobicContact CG-CB 3.99Å; P227-I317 HydrophobicContact CB-CD1 3.28Å; P227-I317 HydrophobicContact CB-CG1 3.65Å |
| 228 | C | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.2 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | I110 G111 Y112 H113 V288 I289 | I110-C228 HydrophobicContact CG2-CB 3.71Å; G111-C228 PolarHBondContact O-N 3.29Å; Y112-C228 HydrophobicContact CD2-CB 4.47Å; H113-C228 PolarHBondContact N-O 3.26Å; C228-V288 CarbonylContact C-O 3.59Å; C228-V288 VanDerWaalsContact CA-O 3.29Å; C228-V288 WeakPolarHBondContact CA-O 3.02Å; C228-I289 HydrophobicContact CB-CG1 4.37Å |
| 229 | Y | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.3 | -179.9 | -161.9 | -83 | 0 | 0 | 0 | 111.3 | H113 H204 L206 F231 C287 V288 I317 F321 L336 | H113-Y229 HydrophobicContact CB-CD2 4.13Å; H113-Y229 HydrophobicContact CB-CE2 4.49Å; H113-Y229 CarbonylContact O-C 3.41Å; H113-Y229 VanDerWaalsContact O-CA 3.27Å; H113-Y229 WeakPolarHBondContact O-CA 3.49Å; H204-Y229 VanDerWaalsContact CB-OH 3.26Å; H204-Y229 WeakPolarHBondContact CB-OH 3.34Å; H204-Y229 AromaticContact ND1-CE1 3.87Å; H204-Y229 AromaticContact ND1-CZ 3.74Å; H204-Y229 PolarHBondContact ND1-OH 2.9Å; L206-Y229 HydrophobicContact CD1-CE2 4.11Å; L206-Y229 HydrophobicContact CD2-CE2 4.2Å; L206-Y229 HydrophobicContact CG-CE2 4.47Å; Y229-F231 HydrophobicContact CD1-CD1 4.09Å; Y229-F231 AromaticContact CD1-CD2 3.77Å; Y229-F231 HydrophobicContact CD1-CD2 3.77Å; Y229-F231 AromaticContact CD1-CE1 3.93Å; Y229-F231 HydrophobicContact CD1-CE1 3.93Å; Y229-F231 AromaticContact CD1-CE2 3.6Å; Y229-F231 HydrophobicContact CD1-CE2 3.6Å; Y229-F231 HydrophobicContact CD1-CG 4.01Å; Y229-F231 AromaticContact CD1-CZ 3.7Å; Y229-F231 HydrophobicContact CD1-CZ 3.7Å; Y229-F231 AromaticContact CE1-CD1 3.79Å; Y229-F231 HydrophobicContact CE1-CD1 3.79Å; Y229-F231 HydrophobicContact CE1-CD2 4.3Å; Y229-F231 AromaticContact CE1-CE1 3.75Å; Y229-F231 HydrophobicContact CE1-CE1 3.75Å; Y229-F231 HydrophobicContact CE1-CE2 4.27Å; Y229-F231 HydrophobicContact CE1-CG 4.07Å; Y229-F231 HydrophobicContact CE1-CZ 4.01Å; Y229-F231 HydrophobicContact CG-CE2 4.49Å; Y229-C287 CarbonylContact O-C 3.13Å; Y229-V288 PolarHBondContact N-O 3.02Å; Y229-V288 PolarHBondContact O-N 3.24Å; Y229-I317 HydrophobicContact CD2-CG2 4.46Å; Y229-F321 HydrophobicContact CD1-CD2 4.31Å; Y229-F321 AromaticContact CE1-CD2 3.71Å; Y229-F321 HydrophobicContact CE1-CD2 3.71Å; Y229-F321 HydrophobicContact CE1-CE2 4.15Å; Y229-F321 HydrophobicContact CE2-CD2 4.08Å; Y229-F321 AromaticContact CZ-CD2 3.58Å; Y229-F321 AromaticContact CZ-CE2 4Å; Y229-L336 HydrophobicContact CE2-CD1 3.73Å |
| 230 | A | 98.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 92.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y112 H113 P114 E233 I285 Y286 | Y112-A230 HydrophobicContact CE1-CB 4.06Å; Y112-A230 HydrophobicContact CE2-CB 3.85Å; Y112-A230 VanDerWaalsContact CZ-CB 3.4Å; Y112-A230 WeakPolarHBondContact OH-CB 3.4Å; H113-A230 PolarHBondContact O-N 3.39Å; P114-A230 WeakPolarHBondContact CD-O 3.37Å; A230-E233 HydrophobicContact CB-CB 4.01Å; A230-E233 WeakPolarHBondContact O-CB 2.9Å; A230-E233 PolarHBondContact O-N 3.06Å; A230-I285 HydrophobicContact CB-CG2 4.23Å; A230-Y286 CarbonylContact C-O 3.6Å; A230-Y286 WeakPolarHBondContact CA-O 3.4Å |
| 231 | F | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.4 | 173.6 | -62.4 | -89.9 | 0 | 0 | 0 | 110.2 | Y229 E233 I285 Y286 V288 F321 K325 Y328 A329 | Y229-F231 HydrophobicContact CD1-CD1 4.09Å; Y229-F231 AromaticContact CD1-CD2 3.77Å; Y229-F231 HydrophobicContact CD1-CD2 3.77Å; Y229-F231 AromaticContact CD1-CE1 3.93Å; Y229-F231 HydrophobicContact CD1-CE1 3.93Å; Y229-F231 AromaticContact CD1-CE2 3.6Å; Y229-F231 HydrophobicContact CD1-CE2 3.6Å; Y229-F231 HydrophobicContact CD1-CG 4.01Å; Y229-F231 AromaticContact CD1-CZ 3.7Å; Y229-F231 HydrophobicContact CD1-CZ 3.7Å; Y229-F231 AromaticContact CE1-CD1 3.79Å; Y229-F231 HydrophobicContact CE1-CD1 3.79Å; Y229-F231 HydrophobicContact CE1-CD2 4.3Å; Y229-F231 AromaticContact CE1-CE1 3.75Å; Y229-F231 HydrophobicContact CE1-CE1 3.75Å; Y229-F231 HydrophobicContact CE1-CE2 4.27Å; Y229-F231 HydrophobicContact CE1-CG 4.07Å; Y229-F231 HydrophobicContact CE1-CZ 4.01Å; Y229-F231 HydrophobicContact CG-CE2 4.49Å; F231-E233 VanDerWaalsContact C-N 3.29Å; F231-E233 PolarHBondContact O-N 3.33Å; F231-I285 CarbonylContact O-C 3.59Å; F231-I285 VanDerWaalsContact O-CA 3.24Å; F231-I285 WeakPolarHBondContact O-CA 3.29Å; F231-Y286 PolarHBondContact N-O 3.14Å; F231-Y286 PolarHBondContact O-N 3.2Å; F231-V288 HydrophobicContact CD2-CG2 4.05Å; F231-V288 HydrophobicContact CE2-CG2 3.92Å; F231-F321 AromaticContact CE1-CD2 3.63Å; F231-F321 HydrophobicContact CE1-CD2 3.63Å; F231-F321 AromaticContact CE1-CE2 3.77Å; F231-F321 HydrophobicContact CE1-CE2 3.77Å; F231-F321 AromaticContact CZ-CD2 3.99Å; F231-F321 HydrophobicContact CZ-CD2 3.99Å; F231-K325 HydrophobicContact CE1-CB 4.01Å; F231-Y328 WeakPolarHBondContact CB-O 3.22Å; F231-Y328 HydrophobicContact CD2-CD2 4.18Å; F231-Y328 HydrophobicContact CD2-CG 4.5Å; F231-Y328 HydrophobicContact CE2-CD2 4.46Å; F231-A329 HydrophobicContact CD1-CB 4.12Å; F231-A329 HydrophobicContact CE1-CB 4.47Å |
| 232 | G | 96.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -7.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | N234 D235 P284 | G232-N234 VanDerWaalsContact C-N 3.28Å; G232-N234 PolarHBondContact O-N 2.86Å; G232-D235 WeakPolarHBondContact O-CB 3.27Å; G232-D235 PolarHBondContact O-N 2.79Å; G232-P284 WeakPolarHBondContact CA-O 3.27Å |
| 233 | E | 96.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -62 | -34.4 | 179.1 | -175.6 | 71.7 | -127.3 | 0 | 0 | 112.4 | Y112 P114 S119 F120 G121 A230 F231 D235 V236 I285 | Y112-E233 HydrophobicContact CE1-CG 4.45Å; Y112-E233 PolarHBondContact OH-OE2 3.38Å; P114-E233 HydrophobicContact CG-CB 4.16Å; S119-E233 VanDerWaalsContact CA-OE1 3.24Å; S119-E233 WeakPolarHBondContact CA-OE1 3.25Å; F120-E233 PolarHBondContact N-OE1 2.86Å; G121-E233 WeakPolarHBondContact CA-OE2 3.13Å; G121-E233 PolarHBondContact N-OE2 3.46Å; A230-E233 HydrophobicContact CB-CB 4.01Å; A230-E233 WeakPolarHBondContact O-CB 2.9Å; A230-E233 PolarHBondContact O-N 3.06Å; F231-E233 VanDerWaalsContact C-N 3.29Å; F231-E233 PolarHBondContact O-N 3.33Å; E233-D235 VanDerWaalsContact C-N 3.35Å; E233-V236 WeakPolarHBondContact O-CG2 3.5Å; E233-I285 HydrophobicContact CB-CG2 4.48Å |
| 234 | N | 94.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -79.6 | -14.4 | 175.2 | -71.8 | -15.1 | 0 | 0 | 0 | 113.5 | G116 A199 Y200 T203 G232 V236 | G116-N234 WeakPolarHBondContact CA-OD1 3.47Å; A199-N234 WeakPolarHBondContact CB-OD1 3.04Å; Y200-N234 WeakPolarHBondContact O-CB 3.17Å; T203-N234 PolarHBondContact O-ND2 3.41Å; G232-N234 VanDerWaalsContact C-N 3.28Å; G232-N234 PolarHBondContact O-N 2.86Å; N234-V236 VanDerWaalsContact C-N 3.32Å; N234-V236 PolarHBondContact O-N 3.35Å |
| 235 | D | 94 | Very high | 83.9 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -85.1 | -8.5 | -173.4 | -62.1 | -21.8 | 0 | 0 | 0 | 113 | P201 G202 G232 E233 Y237 R283 S330 | P201-D235 WeakPolarHBondContact CA-OD1 3.2Å; G202-D235 PolarHBondContact N-OD1 2.81Å; G232-D235 WeakPolarHBondContact O-CB 3.27Å; G232-D235 PolarHBondContact O-N 2.79Å; E233-D235 VanDerWaalsContact C-N 3.35Å; D235-Y237 VanDerWaalsContact C-N 3.31Å; D235-Y237 PolarHBondContact O-N 3.4Å; D235-R283 HydrophobicContact CB-CB 4.27Å; D235-R283 HydrophobicContact CB-CG 4.24Å; D235-R283 WeakPolarHBondContact O-CG 3.4Å; D235-S330 VanDerWaalsContact OD2-CB 3.24Å; D235-S330 WeakPolarHBondContact OD2-CB 3.33Å; D235-S330 PolarHBondContact OD2-OG 3.34Å |
| 236 | V | 93.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -76.9 | -16.3 | -173.6 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | F92 F120 E233 N234 P280 H281 I285 | F92-V236 HydrophobicContact CD1-CG1 3.83Å; F92-V236 HydrophobicContact CE1-CB 4.06Å; F92-V236 HydrophobicContact CE1-CG1 3.79Å; F120-V236 HydrophobicContact CD2-CG2 4.02Å; F120-V236 HydrophobicContact CE2-CG2 4.03Å; E233-V236 WeakPolarHBondContact O-CG2 3.5Å; N234-V236 VanDerWaalsContact C-N 3.32Å; N234-V236 PolarHBondContact O-N 3.35Å; V236-P280 HydrophobicContact CB-CB 3.9Å; V236-P280 HydrophobicContact CG2-CB 4.24Å; V236-P280 CarbonylContact O-C 3.54Å; V236-P280 WeakPolarHBondContact O-CA 3.25Å; V236-P280 WeakPolarHBondContact O-CB 3.33Å; V236-H281 PolarHBondContact O-N 3.33Å; V236-I285 HydrophobicContact CG1-CD1 3.96Å; V236-I285 HydrophobicContact CG1-CG1 4.21Å |
| 237 | Y | 91.4 | Very high | 80.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -135.1 | 140.8 | 172.6 | -72.6 | -70.6 | 0 | 0 | 0 | 109.9 | V117 M118 F120 P201 D235 I266 V278 P280 | V117-Y237 HydrophobicContact CB-CD2 3.63Å; V117-Y237 HydrophobicContact CB-CE2 3.96Å; V117-Y237 HydrophobicContact CG1-CD2 3.99Å; V117-Y237 HydrophobicContact CG1-CE2 4Å; V117-Y237 HydrophobicContact CG2-CD2 3.7Å; V117-Y237 HydrophobicContact CG2-CG 4.36Å; M118-Y237 HydrophobicContact CE-CE2 4.28Å; M118-Y237 WeakPolarHBondContact CE-OH 3.1Å; F120-Y237 AromaticContact CE2-CE2 3.74Å; F120-Y237 HydrophobicContact CE2-CE2 3.74Å; F120-Y237 HydrophobicContact CZ-CE2 4.16Å; P201-Y237 WeakPolarHBondContact CD-O 3.49Å; P201-Y237 VanDerWaalsContact CG-O 3.25Å; P201-Y237 WeakPolarHBondContact CG-O 3.42Å; D235-Y237 VanDerWaalsContact C-N 3.31Å; D235-Y237 PolarHBondContact O-N 3.4Å; Y237-I266 HydrophobicContact CD1-CB 4.01Å; Y237-I266 HydrophobicContact CD1-CD1 3.89Å; Y237-I266 HydrophobicContact CD1-CG1 4.28Å; Y237-I266 HydrophobicContact CD2-CD1 4.29Å; Y237-I266 HydrophobicContact CD2-CG2 4.46Å; Y237-I266 HydrophobicContact CE1-CD1 3.67Å; Y237-I266 HydrophobicContact CE1-CG1 4.42Å; Y237-I266 HydrophobicContact CE2-CD1 4.05Å; Y237-I266 HydrophobicContact CG-CB 4.08Å; Y237-I266 HydrophobicContact CG-CD1 4.2Å; Y237-I266 HydrophobicContact CG-CG2 4.12Å; Y237-V278 PolarHBondContact OH-O 2.91Å; Y237-P280 HydrophobicContact CD1-CB 4.22Å; Y237-P280 HydrophobicContact CD2-CB 4.35Å; Y237-P280 HydrophobicContact CE1-CB 3.78Å; Y237-P280 HydrophobicContact CE2-CB 3.97Å; Y237-P280 HydrophobicContact CG-CB 4.49Å; Y237-P280 WeakPolarHBondContact OH-CD 3.35Å |
| 238 | N | 85.8 | Confident | 79.5 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 146.7 | 162 | -61.3 | -39.5 | 0 | 0 | 0 | 109 | I266 C267 H281 | N238-I266 CarbonylContact O-C 3.53Å; N238-I266 WeakPolarHBondContact O-CA 3.45Å; N238-C267 HydrophobicContact CB-CB 4.2Å; N238-C267 WeakPolarHBondContact CB-O 3.33Å; N238-C267 PolarHBondContact N-O 3.42Å; N238-C267 PolarHBondContact O-N 3.16Å; N238-H281 PolarHBondContact ND2-NE2 3.49Å; N238-H281 VanDerWaalsContact ND2-NE2 3.1Å |
| 239 | R | 74.5 | Confident | 78 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.3 | 167.8 | -68.4 | -90.6 | -81.3 | 140.4 | -2.6 | 107.5 | L197 A199 Y200 V265 | L197-R239 PolarHBondContact O-NH2 3Å; A199-R239 WeakPolarHBondContact O-CG 3.39Å; Y200-R239 HydrophobicContact CD1-CB 3.62Å; Y200-R239 HydrophobicContact CD1-CG 4.09Å; Y200-R239 HydrophobicContact CE1-CB 3.51Å; Y200-R239 HydrophobicContact CE1-CG 4.17Å; Y200-R239 HydrophobicContact CG-CB 4.5Å; R239-V265 PolarHBondContact NH1-O 2.89Å |
| 240 | F | 67.1 | Low | 76.7 | Confident | 101 Ų | 101 | 60 Ų | 60 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | trans | -67.3 | 136.2 | 164.2 | -65.9 | -86.5 | 0 | 0 | 0 | 108 | N242 V265 C267 | F240-N242 PolarHBondContact O-N 3.33Å; F240-V265 HydrophobicContact CD2-CG1 3.74Å; F240-V265 HydrophobicContact CE2-CG1 4.2Å; F240-C267 HydrophobicContact CD2-CB 4.32Å; F240-C267 HydrophobicContact CE2-CB 3.59Å; F240-C267 HydrophobicContact CZ-CB 3.73Å | ||
| 241 | D | 59.3 | Low | 75.3 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | trans | -60.9 | 122.4 | 178.8 | -171.6 | -10.2 | 0 | 0 | 0 | 109.5 | Q243 | D241-Q243 PolarHBondContact O-N 3Å; D241-Q243 PolarHBondContact OD1-N 3.04Å | ||
| 242 | N | 54.8 | Low | 74.1 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -69.1 | -18.2 | -177.8 | -72.5 | -22.6 | 0 | 0 | 0 | 111.7 | Y200 F240 Q244 Q245 | Y200-N242 PolarHBondContact OH-ND2 2.63Å; F240-N242 PolarHBondContact O-N 3.33Å; N242-Q244 PolarHBondContact O-N 3.14Å; N242-Q244 VanDerWaalsContact O-N 3.15Å; N242-Q245 CarbonylContact O-C 3.58Å; N242-Q245 PolarHBondContact O-N 3.15Å |
| 243 | Q | 52.4 | Low | 72.9 | Confident | 176 Ų | 176 | 66.3 Ų | 66.3 | 82% | 0.822 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -60.1 | -28.1 | -176.9 | -71.8 | -160.1 | -12.5 | 0 | 0 | 113 | D241 | D241-Q243 PolarHBondContact O-N 3Å; D241-Q243 PolarHBondContact OD1-N 3.04Å |
| 244 | Q | 50.5 | Low | 71.7 | Confident | 180 Ų | 180 | 70.9 Ų | 70.9 | 84% | 0.841 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -91.4 | -5.4 | 178.7 | -65 | -174.2 | -2.7 | 0 | 0 | 114 | N242 | N242-Q244 PolarHBondContact O-N 3.14Å; N242-Q244 VanDerWaalsContact O-N 3.15Å |
| 245 | Q | 62.4 | Low | 70.4 | Confident | 92 Ų | 92 | 74 Ų | 74 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | trans | -137.2 | 55.3 | -173.8 | -58.6 | -170.6 | -1.9 | 0 | 0 | 112.5 | N242 V247 L248 Y249 | N242-Q245 CarbonylContact O-C 3.58Å; N242-Q245 PolarHBondContact O-N 3.15Å; Q245-V247 PolarHBondContact O-N 2.94Å; Q245-V247 VanDerWaalsContact O-N 3.09Å; Q245-L248 HydrophobicContact CB-CB 3.72Å; Q245-L248 HydrophobicContact CB-CD2 4.41Å; Q245-L248 WeakPolarHBondContact O-CA 3.43Å; Q245-L248 WeakPolarHBondContact O-CB 3.49Å; Q245-L248 PolarHBondContact O-N 3.21Å; Q245-Y249 PolarHBondContact O-N 2.87Å | ||
| 246 | Y | 68.9 | Low | 69.3 | Low | 175 Ų | 175 | 76 Ų | 76 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -48.3 | -37.7 | 171.1 | 178.4 | -103.3 | 0 | 0 | 0 | 112.2 | L248 Y249 C250 | Y246-L248 PolarHBondContact O-N 3Å; Y246-Y249 PolarHBondContact O-N 3.47Å; Y246-C250 WeakPolarHBondContact CE1-SG 3.44Å; Y246-C250 WeakPolarHBondContact O-CB 3.49Å; Y246-C250 PolarHBondContact O-N 2.67Å; Y246-C250 PolarHBondContact O-SG 3.31Å |
| 247 | V | 65.1 | Low | 68 | Low | 110 Ų | 110 | 85.1 Ų | 85.1 | 67% | 0.667 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.5 | -47 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | Q245 C250 V251 | Q245-V247 PolarHBondContact O-N 2.94Å; Q245-V247 VanDerWaalsContact O-N 3.09Å; V247-C250 WeakPolarHBondContact O-CB 3.47Å; V247-C250 PolarHBondContact O-N 2.75Å; V247-V251 VanDerWaalsContact O-CG2 3.32Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.37Å |
| 248 | L | 68.8 | Low | 66.6 | Low | 44 Ų | 44 | 91.3 Ų | 91.3 | 23% | 0.23 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 179 | 179.9 | 69 | 0 | 0 | 0 | 111.1 | Q245 Y246 C250 V251 Q252 V265 | Q245-L248 HydrophobicContact CB-CB 3.72Å; Q245-L248 HydrophobicContact CB-CD2 4.41Å; Q245-L248 WeakPolarHBondContact O-CA 3.43Å; Q245-L248 WeakPolarHBondContact O-CB 3.49Å; Q245-L248 PolarHBondContact O-N 3.21Å; Y246-L248 PolarHBondContact O-N 3Å; L248-C250 VanDerWaalsContact C-N 3.33Å; L248-C250 PolarHBondContact O-N 3.03Å; L248-V251 PolarHBondContact O-N 2.81Å; L248-Q252 WeakPolarHBondContact O-CB 3.38Å; L248-Q252 WeakPolarHBondContact O-CG 3.35Å; L248-Q252 PolarHBondContact O-N 3.38Å; L248-V265 HydrophobicContact CD1-CG2 3.74Å; L248-V265 HydrophobicContact CD2-CB 3.79Å; L248-V265 HydrophobicContact CD2-CG1 4.14Å; L248-V265 HydrophobicContact CD2-CG2 3.38Å; L248-V265 HydrophobicContact CG-CG2 3.89Å |
| 249 | Y | 68.1 | Low | 65.5 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 34% | 0.337 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.8 | 178.3 | -104.2 | 0 | 0 | 0 | 111.6 | Q245 Y246 Q252 L253 | Q245-Y249 PolarHBondContact O-N 2.87Å; Y246-Y249 PolarHBondContact O-N 3.47Å; Y249-Q252 WeakPolarHBondContact O-CB 3.39Å; Y249-Q252 PolarHBondContact O-N 3.24Å; Y249-L253 HydrophobicContact CD1-CD1 3.95Å; Y249-L253 HydrophobicContact CD1-CG 4.46Å; Y249-L253 HydrophobicContact CE1-CD1 3.36Å; Y249-L253 HydrophobicContact CE1-CG 4.08Å; Y249-L253 HydrophobicContact CE2-CG 4.46Å; Y249-L253 WeakPolarHBondContact O-CG 3.48Å; Y249-L253 PolarHBondContact O-N 2.78Å |
| 250 | C | 69.5 | Low | 64.9 | Low | 35 Ų | 35 | 93.2 Ų | 93.2 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.4 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | Y246 V247 L248 Q252 L253 I254 | Y246-C250 WeakPolarHBondContact CE1-SG 3.44Å; Y246-C250 WeakPolarHBondContact O-CB 3.49Å; Y246-C250 PolarHBondContact O-N 2.67Å; Y246-C250 PolarHBondContact O-SG 3.31Å; V247-C250 WeakPolarHBondContact O-CB 3.47Å; V247-C250 PolarHBondContact O-N 2.75Å; L248-C250 VanDerWaalsContact C-N 3.33Å; L248-C250 PolarHBondContact O-N 3.03Å; C250-Q252 VanDerWaalsContact C-N 3.34Å; C250-Q252 PolarHBondContact O-N 3.23Å; C250-L253 PolarHBondContact O-N 3.41Å; C250-I254 VanDerWaalsContact O-CG1 3.3Å; C250-I254 WeakPolarHBondContact O-CG1 3.18Å; C250-I254 PolarHBondContact O-N 3.48Å |
| 251 | V | 70.6 | Confident | 64.7 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 39% | 0.394 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | V247 L248 L253 I254 L255 | V247-V251 VanDerWaalsContact O-CG2 3.32Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.37Å; L248-V251 PolarHBondContact O-N 2.81Å; V251-L253 VanDerWaalsContact C-N 3.34Å; V251-L253 PolarHBondContact O-N 3.03Å; V251-I254 PolarHBondContact O-N 3.35Å; V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 2.92Å |
| 252 | Q | 72.6 | Confident | 64.8 | Low | 5 Ų | 5 | 89.2 Ų | 89.2 | 2% | 0.023 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.5 | -79.2 | -171.4 | -37.5 | 0 | 0 | 111.5 | L248 Y249 C250 I254 L255 K256 V262 L263 P264 | L248-Q252 WeakPolarHBondContact O-CB 3.38Å; L248-Q252 WeakPolarHBondContact O-CG 3.35Å; L248-Q252 PolarHBondContact O-N 3.38Å; Y249-Q252 WeakPolarHBondContact O-CB 3.39Å; Y249-Q252 PolarHBondContact O-N 3.24Å; C250-Q252 VanDerWaalsContact C-N 3.34Å; C250-Q252 PolarHBondContact O-N 3.23Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 3.24Å; Q252-L255 PolarHBondContact O-N 2.94Å; Q252-K256 WeakPolarHBondContact O-CB 3.47Å; Q252-K256 PolarHBondContact O-N 3.15Å; Q252-V262 HydrophobicContact CB-CG1 3.72Å; Q252-V262 HydrophobicContact CG-CG1 3.72Å; Q252-V262 WeakPolarHBondContact O-CG2 3.29Å; Q252-L263 PolarHBondContact NE2-O 3.29Å; Q252-P264 VanDerWaalsContact NE2-CA 3.32Å |
| 253 | L | 70.8 | Confident | 65.2 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 176.2 | -70.9 | -179.6 | 0 | 0 | 0 | 112.9 | Y249 C250 V251 K256 K257 | Y249-L253 HydrophobicContact CD1-CD1 3.95Å; Y249-L253 HydrophobicContact CD1-CG 4.46Å; Y249-L253 HydrophobicContact CE1-CD1 3.36Å; Y249-L253 HydrophobicContact CE1-CG 4.08Å; Y249-L253 HydrophobicContact CE2-CG 4.46Å; Y249-L253 WeakPolarHBondContact O-CG 3.48Å; Y249-L253 PolarHBondContact O-N 2.78Å; C250-L253 PolarHBondContact O-N 3.41Å; V251-L253 VanDerWaalsContact C-N 3.34Å; V251-L253 PolarHBondContact O-N 3.03Å; L253-K256 VanDerWaalsContact O-CB 3.32Å; L253-K256 WeakPolarHBondContact O-CB 3.24Å; L253-K256 PolarHBondContact O-N 3.21Å; L253-K257 PolarHBondContact O-N 3.05Å; L253-K257 VanDerWaalsContact O-N 3.09Å |
| 254 | I | 70 | Confident | 65.8 | Low | 97 Ų | 97 | 83.7 Ų | 83.7 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 174.9 | -67.9 | 164 | 0 | 0 | 0 | 110.1 | C250 V251 Q252 K256 K257 L258 | C250-I254 VanDerWaalsContact O-CG1 3.3Å; C250-I254 WeakPolarHBondContact O-CG1 3.18Å; C250-I254 PolarHBondContact O-N 3.48Å; V251-I254 PolarHBondContact O-N 3.35Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 3.24Å; I254-K256 PolarHBondContact O-N 3.03Å; I254-K257 WeakPolarHBondContact O-CB 3.43Å; I254-K257 PolarHBondContact O-N 3.45Å; I254-L258 HydrophobicContact CG2-CD1 3.75Å; I254-L258 HydrophobicContact CG2-CG 4.31Å; I254-L258 WeakPolarHBondContact O-CG 3.31Å; I254-L258 PolarHBondContact O-N 3.3Å |
| 255 | L | 68.3 | Low | 66.8 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 176.6 | -69.8 | 176.3 | 0 | 0 | 0 | 111.4 | V251 Q252 K257 L258 L259 | V251-L255 HydrophobicContact CG1-CD1 4.02Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 2.92Å; Q252-L255 PolarHBondContact O-N 2.94Å; L255-K257 VanDerWaalsContact C-N 3.32Å; L255-K257 PolarHBondContact O-N 3.36Å; L255-L258 PolarHBondContact O-N 3.45Å; L255-L259 HydrophobicContact CD2-CD1 4.08Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.15Å; L255-L259 PolarHBondContact O-N 2.84Å |
| 256 | K | 70.4 | Confident | 67.5 | Low | 63 Ų | 63 | 74.7 Ų | 74.7 | 27% | 0.274 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 172.7 | -162.4 | 175.9 | 169.3 | 179.9 | 0 | 111.9 | Q252 L253 I254 L258 G260 V262 | Q252-K256 WeakPolarHBondContact O-CB 3.47Å; Q252-K256 PolarHBondContact O-N 3.15Å; L253-K256 VanDerWaalsContact O-CB 3.32Å; L253-K256 WeakPolarHBondContact O-CB 3.24Å; L253-K256 PolarHBondContact O-N 3.21Å; I254-K256 PolarHBondContact O-N 3.03Å; K256-L258 VanDerWaalsContact C-N 3.31Å; K256-G260 WeakPolarHBondContact O-CA 3.47Å; K256-G260 PolarHBondContact O-N 3.09Å; K256-V262 HydrophobicContact CB-CG2 3.24Å; K256-V262 HydrophobicContact CD-CG2 4.35Å; K256-V262 HydrophobicContact CG-CG2 3.76Å; K256-V262 VanDerWaalsContact N-CG2 3.3Å |
| 257 | K | 66.4 | Low | 68 | Low | 192 Ų | 192 | 67.3 Ų | 67.3 | 84% | 0.835 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.1 | -35.3 | -177 | -171.3 | -180 | 177.5 | -176 | 0 | 111 | L253 I254 L255 | L253-K257 PolarHBondContact O-N 3.05Å; L253-K257 VanDerWaalsContact O-N 3.09Å; I254-K257 WeakPolarHBondContact O-CB 3.43Å; I254-K257 PolarHBondContact O-N 3.45Å; L255-K257 VanDerWaalsContact C-N 3.32Å; L255-K257 PolarHBondContact O-N 3.36Å |
| 258 | L | 62.5 | Low | 68.9 | Low | 131 Ų | 131 | 62 Ų | 62 | 69% | 0.686 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -82.2 | -46.8 | -178.8 | -66.8 | 175 | 0 | 0 | 0 | 113.3 | I254 L255 K256 | I254-L258 HydrophobicContact CG2-CD1 3.75Å; I254-L258 HydrophobicContact CG2-CG 4.31Å; I254-L258 WeakPolarHBondContact O-CG 3.31Å; I254-L258 PolarHBondContact O-N 3.3Å; L255-L258 PolarHBondContact O-N 3.45Å; K256-L258 VanDerWaalsContact C-N 3.31Å |
| 259 | L | 62.4 | Low | 69.7 | Low | 85 Ų | 85 | 60.5 Ų | 60.5 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -100.2 | -13.5 | -170.8 | -57.4 | 177.5 | 0 | 0 | 0 | 113 | L255 W261 | L255-L259 HydrophobicContact CD2-CD1 4.08Å; L255-L259 VanDerWaalsContact O-CB 3.31Å; L255-L259 WeakPolarHBondContact O-CB 3.15Å; L255-L259 PolarHBondContact O-N 2.84Å; L259-W261 HydrophobicContact CD1-CZ2 4.28Å; L259-W261 PolarHBondContact O-N 3.03Å; L259-W261 PolarHBondContact O-NE1 3.43Å |
| 260 | G | 61.1 | Low | 70.2 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 77.8 | -8.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | K256 | K256-G260 WeakPolarHBondContact O-CA 3.47Å; K256-G260 PolarHBondContact O-N 3.09Å |
| 261 | W | 63.7 | Low | 70.6 | Confident | 101 Ų | 101 | 60 Ų | 60 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | trans | -138.1 | 156.1 | 177.5 | 58.6 | -87.3 | 0 | 0 | 0 | 110.5 | L147 L259 L263 | L147-W261 HydrophobicContact CD1-CB 4.43Å; L259-W261 HydrophobicContact CD1-CZ2 4.28Å; L259-W261 PolarHBondContact O-N 3.03Å; L259-W261 PolarHBondContact O-NE1 3.43Å; W261-L263 HydrophobicContact CE3-CG 4.22Å; W261-L263 HydrophobicContact CZ3-CD1 3.92Å; W261-L263 HydrophobicContact CZ3-CG 3.84Å | ||
| 262 | V | 62.1 | Low | 71.1 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | trans | -138.6 | 133 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | L197 Q252 K256 P264 | L197-V262 HydrophobicContact CD2-CG1 4.06Å; Q252-V262 HydrophobicContact CB-CG1 3.72Å; Q252-V262 HydrophobicContact CG-CG1 3.72Å; Q252-V262 WeakPolarHBondContact O-CG2 3.29Å; K256-V262 HydrophobicContact CB-CG2 3.24Å; K256-V262 HydrophobicContact CD-CG2 4.35Å; K256-V262 HydrophobicContact CG-CG2 3.76Å; K256-V262 VanDerWaalsContact N-CG2 3.3Å; V262-P264 WeakPolarHBondContact O-CD 3.2Å | ||
| 263 | L | 63.2 | Low | 71.6 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | trans | -81.8 | 121.3 | 163.4 | -71.9 | 168.7 | 0 | 0 | 0 | 108.2 | Q252 W261 V265 | Q252-L263 PolarHBondContact NE2-O 3.29Å; W261-L263 HydrophobicContact CE3-CG 4.22Å; W261-L263 HydrophobicContact CZ3-CD1 3.92Å; W261-L263 HydrophobicContact CZ3-CG 3.84Å; L263-V265 PolarHBondContact O-N 3.43Å | ||
| 264 | P | 65.5 | Low | 72.2 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -55.9 | 141 | 167.6 | 22.1 | -28.3 | 0 | 0 | 0 | 108.3 | V117 L197 Q252 V262 I266 | V117-P264 HydrophobicContact CB-CG 4.2Å; V117-P264 HydrophobicContact CG1-CG 3.55Å; V117-P264 HydrophobicContact CG2-CG 3.89Å; L197-P264 HydrophobicContact CD2-CB 4.38Å; Q252-P264 VanDerWaalsContact NE2-CA 3.32Å; V262-P264 WeakPolarHBondContact O-CD 3.2Å; P264-I266 HydrophobicContact CB-CG2 4.09Å; P264-I266 HydrophobicContact CG-CG2 3.91Å; P264-I266 WeakPolarHBondContact O-CG2 3.3Å; P264-I266 PolarHBondContact O-N 2.86Å | ||
| 265 | V | 70.1 | Confident | 72.3 | Confident | 49 Ų | 49 | 61 Ų | 61 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | trans | -69.8 | 111.5 | 168.8 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | R239 F240 L248 L263 | R239-V265 PolarHBondContact NH1-O 2.89Å; F240-V265 HydrophobicContact CD2-CG1 3.74Å; F240-V265 HydrophobicContact CE2-CG1 4.2Å; L248-V265 HydrophobicContact CD1-CG2 3.74Å; L248-V265 HydrophobicContact CD2-CB 3.79Å; L248-V265 HydrophobicContact CD2-CG1 4.14Å; L248-V265 HydrophobicContact CD2-CG2 3.38Å; L248-V265 HydrophobicContact CG-CG2 3.89Å; L263-V265 PolarHBondContact O-N 3.43Å | ||
| 266 | I | 77.8 | Confident | 72.9 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.7 | -172.6 | 54.3 | -176.5 | 0 | 0 | 0 | 109.7 | V117 M118 Y237 N238 P264 | V117-I266 HydrophobicContact CG1-CD1 4.11Å; V117-I266 HydrophobicContact CG1-CG2 3.97Å; V117-I266 HydrophobicContact CG2-CG2 3.84Å; M118-I266 HydrophobicContact CE-CD1 4.23Å; Y237-I266 HydrophobicContact CD1-CB 4.01Å; Y237-I266 HydrophobicContact CD1-CD1 3.89Å; Y237-I266 HydrophobicContact CD1-CG1 4.28Å; Y237-I266 HydrophobicContact CD2-CD1 4.29Å; Y237-I266 HydrophobicContact CD2-CG2 4.46Å; Y237-I266 HydrophobicContact CE1-CD1 3.67Å; Y237-I266 HydrophobicContact CE1-CG1 4.42Å; Y237-I266 HydrophobicContact CE2-CD1 4.05Å; Y237-I266 HydrophobicContact CG-CB 4.08Å; Y237-I266 HydrophobicContact CG-CD1 4.2Å; Y237-I266 HydrophobicContact CG-CG2 4.12Å; N238-I266 CarbonylContact O-C 3.53Å; N238-I266 WeakPolarHBondContact O-CA 3.45Å; P264-I266 HydrophobicContact CB-CG2 4.09Å; P264-I266 HydrophobicContact CG-CG2 3.91Å; P264-I266 WeakPolarHBondContact O-CG2 3.3Å; P264-I266 PolarHBondContact O-N 2.86Å |
| 267 | C | 78.6 | Confident | 73.4 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.2 | 165.3 | -168.1 | 0 | 0 | 0 | 0 | 107.6 | N238 F240 S275 H281 | N238-C267 HydrophobicContact CB-CB 4.2Å; N238-C267 WeakPolarHBondContact CB-O 3.33Å; N238-C267 PolarHBondContact N-O 3.42Å; N238-C267 PolarHBondContact O-N 3.16Å; F240-C267 HydrophobicContact CD2-CB 4.32Å; F240-C267 HydrophobicContact CE2-CB 3.59Å; F240-C267 HydrophobicContact CZ-CB 3.73Å; C267-S275 PolarHBondContact SG-O 3.31Å; C267-H281 PolarHBondContact O-NE2 3.46Å |
| 268 | G | 83.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -109.1 | -129.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F276 G277 L279 H281 | G268-F276 CarbonylContact O-C 3.42Å; G268-F276 WeakPolarHBondContact O-CA 3.34Å; G268-G277 WeakPolarHBondContact CA-O 3.34Å; G268-G277 PolarHBondContact N-O 2.97Å; G268-L279 CarbonylContact C-O 3.55Å; G268-L279 WeakPolarHBondContact CA-O 3.4Å; G268-H281 PolarHBondContact O-CE1 3.03Å | ||
| 269 | R | 86 | Confident | 75.6 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -130.3 | 161.5 | 178 | 56.1 | 176.8 | -131.7 | 137.6 | 8.4 | 111.1 | T22 Y91 F276 G277 L279 P280 | T22-R269 PolarHBondContact OG1-NH2 3.07Å; Y91-R269 PolarHBondContact OH-NE 3.44Å; Y91-R269 PolarHBondContact OH-NH2 3.44Å; R269-F276 CarbonylContact C-O 3.55Å; R269-F276 VanDerWaalsContact C-O 3.22Å; R269-G277 CarbonylContact O-C 3.55Å; R269-G277 WeakPolarHBondContact O-CA 3.4Å; R269-L279 HydrophobicContact CG-CB 4.14Å; R269-L279 WeakPolarHBondContact CG-O 3.43Å; R269-L279 PolarHBondContact N-O 2.81Å; R269-L279 VanDerWaalsContact O-CB 3.3Å; R269-L279 WeakPolarHBondContact O-CB 3.46Å; R269-L279 PolarHBondContact O-N 2.94Å; R269-P280 WeakPolarHBondContact CG-O 3.27Å |
| 270 | G | 79.9 | Confident | 77.1 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | trans | -89.1 | -179.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N273 F276 | G270-N273 CarbonylContact C-O 3.53Å; G270-N273 WeakPolarHBondContact CA-O 3.48Å; G270-N273 PolarHBondContact N-O 3.24Å; G270-N273 VanDerWaalsContact O-O 3.07Å; G270-F276 WeakPolarHBondContact CA-O 3.29Å; G270-F276 PolarHBondContact N-O 2.74Å | ||
| 271 | L | 78 | Confident | 78.7 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -69.1 | -37.8 | 168.5 | -72.2 | 169.1 | 0 | 0 | 0 | 111.4 | T22 L279 | T22-L271 HydrophobicContact CG2-CD2 3.79Å; L271-L279 HydrophobicContact CD2-CD1 3.61Å; L271-L279 HydrophobicContact CG-CD1 4.02Å |
| 272 | F | 80.8 | Confident | 80.2 | Confident | 162 Ų | 162 | 43.5 Ų | 43.5 | 71% | 0.711 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -113.9 | -3.8 | -173.8 | -53.1 | -68.1 | 0 | 0 | 0 | 114.1 | A10 | A10-F272 WeakPolarHBondContact CB-O 3.22Å; A10-F272 PolarHBondContact N-O 2.67Å |
| 273 | N | 83.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 156 | 176.4 | 81.3 | 76.9 | 0 | 0 | 0 | 109.8 | I7 E8 G270 S275 F276 | I7-N273 HydrophobicContact CG2-CB 3.73Å; E8-N273 CarbonylContact O-C 3.52Å; E8-N273 VanDerWaalsContact O-CA 3.31Å; E8-N273 WeakPolarHBondContact O-CA 3.49Å; G270-N273 CarbonylContact C-O 3.53Å; G270-N273 WeakPolarHBondContact CA-O 3.48Å; G270-N273 PolarHBondContact N-O 3.24Å; G270-N273 VanDerWaalsContact O-O 3.07Å; N273-S275 PolarHBondContact OD1-N 2.76Å; N273-S275 VanDerWaalsContact OD1-N 3.11Å; N273-F276 PolarHBondContact ND2-O 3.11Å; N273-F276 PolarHBondContact OD1-N 2.87Å; N273-F276 PolarHBondContact OD1-O 2.92Å |
| 274 | Y | 82.2 | Confident | 83.4 | Confident | 32 Ų | 32 | 48 Ų | 48 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -108.5 | 1.4 | -179.2 | -59.1 | -19.8 | 0 | 0 | 0 | 113.7 | M1 E8 A10 P11 | M1-Y274 HydrophobicContact SD-CD2 3.86Å; M1-Y274 HydrophobicContact SD-CE2 4.08Å; E8-Y274 PolarHBondContact O-N 2.64Å; A10-Y274 HydrophobicContact CB-CD1 4.47Å; A10-Y274 HydrophobicContact CB-CE1 3.58Å; A10-Y274 HydrophobicContact CB-CE2 4.5Å; P11-Y274 VanDerWaalsContact CD-OH 3.29Å; P11-Y274 WeakPolarHBondContact CD-OH 3.49Å |
| 275 | S | 73.4 | Confident | 84.9 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.5 | -27.4 | -173.6 | -56.7 | 0 | 0 | 0 | 0 | 114.6 | E8 C267 N273 | E8-S275 PolarHBondContact N-OG 2.8Å; C267-S275 PolarHBondContact SG-O 3.31Å; N273-S275 PolarHBondContact OD1-N 2.76Å; N273-S275 VanDerWaalsContact OD1-N 3.11Å |
| 276 | F | 79.1 | Confident | 86.3 | Confident | 106 Ų | 106 | 48.2 Ų | 48.2 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -155.7 | 149.4 | 179.8 | 63 | -87.1 | 0 | 0 | 0 | 112.3 | I7 G268 R269 G270 N273 | I7-F276 HydrophobicContact CD1-CE1 4Å; I7-F276 HydrophobicContact CG1-CE1 4.12Å; I7-F276 HydrophobicContact CG2-CE1 4.09Å; G268-F276 CarbonylContact O-C 3.42Å; G268-F276 WeakPolarHBondContact O-CA 3.34Å; R269-F276 CarbonylContact C-O 3.55Å; R269-F276 VanDerWaalsContact C-O 3.22Å; G270-F276 WeakPolarHBondContact CA-O 3.29Å; G270-F276 PolarHBondContact N-O 2.74Å; N273-F276 PolarHBondContact ND2-O 3.11Å; N273-F276 PolarHBondContact OD1-N 2.87Å; N273-F276 PolarHBondContact OD1-O 2.92Å |
| 277 | G | 82.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 148.2 | -173.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | G268 R269 | G268-G277 WeakPolarHBondContact CA-O 3.34Å; G268-G277 PolarHBondContact N-O 2.97Å; R269-G277 CarbonylContact O-C 3.55Å; R269-G277 WeakPolarHBondContact O-CA 3.4Å |
| 278 | V | 84.3 | Confident | 88.2 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 60% | 0.6 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -91.7 | -8.4 | -175.6 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | V29 Y237 | V29-V278 HydrophobicContact CG1-CG2 4.43Å; Y237-V278 PolarHBondContact OH-O 2.91Å |
| 279 | L | 91.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 140.7 | 177.3 | -60.8 | 176.7 | 0 | 0 | 0 | 109.7 | T22 V25 A26 V29 G268 R269 L271 | T22-L279 HydrophobicContact CG2-CD1 3.84Å; V25-L279 HydrophobicContact CG1-CD2 4.47Å; A26-L279 HydrophobicContact CB-CD2 3.77Å; V29-L279 HydrophobicContact CB-CD2 4.48Å; V29-L279 HydrophobicContact CG2-CD2 4.31Å; G268-L279 CarbonylContact C-O 3.55Å; G268-L279 WeakPolarHBondContact CA-O 3.4Å; R269-L279 HydrophobicContact CG-CB 4.14Å; R269-L279 WeakPolarHBondContact CG-O 3.43Å; R269-L279 PolarHBondContact N-O 2.81Å; R269-L279 VanDerWaalsContact O-CB 3.3Å; R269-L279 WeakPolarHBondContact O-CB 3.46Å; R269-L279 PolarHBondContact O-N 2.94Å; L271-L279 HydrophobicContact CD2-CD1 3.61Å; L271-L279 HydrophobicContact CG-CD1 4.02Å |
| 280 | P | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 160 | -179.5 | 28.5 | -33 | 0 | 0 | 0 | 112.7 | V25 Y91 F92 F120 V236 Y237 R269 | V25-P280 VanDerWaalsContact CG1-CD 3.42Å; V25-P280 HydrophobicContact CG1-CG 3.53Å; Y91-P280 HydrophobicContact CE1-CG 4.24Å; Y91-P280 WeakPolarHBondContact CE1-O 3.49Å; Y91-P280 PolarHBondContact OH-O 2.87Å; F92-P280 HydrophobicContact CE1-CB 3.82Å; F92-P280 HydrophobicContact CE1-CG 3.6Å; F92-P280 HydrophobicContact CZ-CB 4.08Å; F92-P280 HydrophobicContact CZ-CG 3.35Å; F120-P280 HydrophobicContact CE1-CG 4.04Å; F120-P280 HydrophobicContact CE2-CB 4.22Å; F120-P280 HydrophobicContact CE2-CG 4.04Å; F120-P280 HydrophobicContact CZ-CB 4.22Å; F120-P280 HydrophobicContact CZ-CG 3.58Å; V236-P280 HydrophobicContact CB-CB 3.9Å; V236-P280 HydrophobicContact CG2-CB 4.24Å; V236-P280 CarbonylContact O-C 3.54Å; V236-P280 WeakPolarHBondContact O-CA 3.25Å; V236-P280 WeakPolarHBondContact O-CB 3.33Å; Y237-P280 HydrophobicContact CD1-CB 4.22Å; Y237-P280 HydrophobicContact CD2-CB 4.35Å; Y237-P280 HydrophobicContact CE1-CB 3.78Å; Y237-P280 HydrophobicContact CE2-CB 3.97Å; Y237-P280 HydrophobicContact CG-CB 4.49Å; Y237-P280 WeakPolarHBondContact OH-CD 3.35Å; R269-P280 WeakPolarHBondContact CG-O 3.27Å |
| 281 | H | 94.1 | Very high | 90.3 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65 | 156.3 | 167.3 | -59.5 | -66.1 | 0 | 0 | 0 | 111.5 | F92 V236 N238 C267 G268 R283 | F92-H281 WeakPolarHBondContact CE1-O 3.42Å; V236-H281 PolarHBondContact O-N 3.33Å; N238-H281 PolarHBondContact ND2-NE2 3.49Å; N238-H281 VanDerWaalsContact ND2-NE2 3.1Å; C267-H281 PolarHBondContact O-NE2 3.46Å; G268-H281 PolarHBondContact O-CE1 3.03Å; H281-R283 HydrophobicContact CB-CG 4.17Å; H281-R283 PolarHBondContact O-N 3.21Å |
| 282 | R | 94.6 | Very high | 91.3 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | trans | -87.3 | 85.8 | 178.2 | -69.3 | 171.2 | 166.9 | -93.4 | 2.9 | 109 | R18 T22 Y91 | R18-R282 PolarHBondContact O-NH2 2.9Å; T22-R282 PolarHBondContact OG1-NH2 3.32Å; T22-R282 VanDerWaalsContact OG1-NH2 3.09Å; Y91-R282 HydrophobicContact CD1-CG 3.79Å; Y91-R282 HydrophobicContact CD2-CG 4.14Å; Y91-R282 VanDerWaalsContact CD2-NH2 3.28Å; Y91-R282 HydrophobicContact CE1-CB 4.35Å; Y91-R282 HydrophobicContact CE1-CG 3.44Å; Y91-R282 VanDerWaalsContact CE1-CG 3.44Å; Y91-R282 HydrophobicContact CE2-CG 3.81Å; Y91-R282 VanDerWaalsContact CE2-CZ 3.41Å; Y91-R282 VanDerWaalsContact CE2-NE 3.35Å; Y91-R282 HydrophobicContact CG-CG 4.14Å; Y91-R282 VanDerWaalsContact CZ-CG 3.46Å; Y91-R282 WeakPolarHBondContact O-CG 3.36Å | ||
| 283 | R | 95.2 | Very high | 92.1 | Very high | 141 Ų | 141 | 39.3 Ų | 39.3 | 53% | 0.532 | 20% | 0.197 | S | C | . | . | trans | -123.3 | 142.2 | 179.5 | -60.6 | -62.9 | -172.1 | 176.3 | 1 | 110.3 | F92 D235 H281 | F92-R283 CarbonylContact C-O 3.55Å; F92-R283 WeakPolarHBondContact CA-O 3.32Å; F92-R283 VanDerWaalsContact CB-O 3.26Å; F92-R283 WeakPolarHBondContact CB-O 3.39Å; F92-R283 CarbonylContact O-C 3.59Å; D235-R283 HydrophobicContact CB-CB 4.27Å; D235-R283 HydrophobicContact CB-CG 4.24Å; D235-R283 WeakPolarHBondContact O-CG 3.4Å; H281-R283 HydrophobicContact CB-CG 4.17Å; H281-R283 PolarHBondContact O-N 3.21Å | ||
| 284 | P | 97.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | trans | -64 | 145.8 | 179.3 | 29.9 | -35.7 | 0 | 0 | 0 | 111.6 | F92 P93 G232 Y286 | F92-P284 WeakPolarHBondContact O-CA 3.25Å; P93-P284 HydrophobicContact CB-CB 4.48Å; P93-P284 WeakPolarHBondContact O-CA 3.16Å; G232-P284 WeakPolarHBondContact CA-O 3.27Å; P284-Y286 HydrophobicContact CB-CD2 4.32Å; P284-Y286 HydrophobicContact CB-CE2 3.59Å; P284-Y286 HydrophobicContact CG-CE2 4.02Å | ||
| 285 | I | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.8 | 173 | -58.1 | 169.2 | 0 | 0 | 0 | 108.3 | F92 P93 I94 H95 F120 A230 F231 E233 V236 | F92-I285 HydrophobicContact CB-CD1 4.33Å; F92-I285 HydrophobicContact CB-CG1 4.48Å; F92-I285 HydrophobicContact CD1-CD1 4.29Å; F92-I285 HydrophobicContact CG-CD1 4.21Å; P93-I285 PolarHBondContact O-N 3.49Å; I94-I285 CarbonylContact C-O 3.53Å; I94-I285 WeakPolarHBondContact CA-O 3.41Å; I94-I285 HydrophobicContact CD1-CD1 4.23Å; I94-I285 HydrophobicContact CG1-CB 4.26Å; I94-I285 HydrophobicContact CG1-CD1 4.24Å; I94-I285 HydrophobicContact CG2-CB 4.4Å; H95-I285 PolarHBondContact N-O 3.34Å; F120-I285 HydrophobicContact CB-CD1 3.94Å; A230-I285 HydrophobicContact CB-CG2 4.23Å; F231-I285 CarbonylContact O-C 3.59Å; F231-I285 VanDerWaalsContact O-CA 3.24Å; F231-I285 WeakPolarHBondContact O-CA 3.29Å; E233-I285 HydrophobicContact CB-CG2 4.48Å; V236-I285 HydrophobicContact CG1-CD1 3.96Å; V236-I285 HydrophobicContact CG1-CG1 4.21Å |
| 286 | Y | 98.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 101 | 177.7 | -61.6 | -87.8 | 0 | 0 | 0 | 109.9 | H95 A230 F231 P284 V288 Y328 | H95-Y286 HydrophobicContact CB-CD1 3.67Å; H95-Y286 HydrophobicContact CB-CE1 4.1Å; H95-Y286 AromaticContact CD2-CD1 3.69Å; H95-Y286 AromaticContact CD2-CE1 3.28Å; H95-Y286 WeakPolarHBondContact CD2-CE1 3.34Å; H95-Y286 AromaticContact CD2-CZ 3.9Å; H95-Y286 AromaticContact CG-CD1 3.83Å; H95-Y286 AromaticContact CG-CE1 3.72Å; H95-Y286 AromaticContact NE2-CE1 3.92Å; A230-Y286 CarbonylContact C-O 3.6Å; A230-Y286 WeakPolarHBondContact CA-O 3.4Å; F231-Y286 PolarHBondContact N-O 3.14Å; F231-Y286 PolarHBondContact O-N 3.2Å; P284-Y286 HydrophobicContact CB-CD2 4.32Å; P284-Y286 HydrophobicContact CB-CE2 3.59Å; P284-Y286 HydrophobicContact CG-CE2 4.02Å; Y286-V288 PolarHBondContact O-N 2.96Å; Y286-Y328 AromaticContact CD1-CD1 3.52Å; Y286-Y328 HydrophobicContact CD1-CD1 3.52Å; Y286-Y328 AromaticContact CD1-CE1 3.51Å; Y286-Y328 HydrophobicContact CD1-CE1 3.51Å; Y286-Y328 HydrophobicContact CD1-CG 4.13Å; Y286-Y328 AromaticContact CD2-CD1 3.69Å; Y286-Y328 HydrophobicContact CD2-CD1 3.69Å; Y286-Y328 AromaticContact CD2-CG 3.94Å; Y286-Y328 HydrophobicContact CD2-CG 3.94Å; Y286-Y328 AromaticContact CE1-CD1 3.82Å; Y286-Y328 HydrophobicContact CE1-CD1 3.82Å; Y286-Y328 AromaticContact CE1-CE1 3.74Å; Y286-Y328 HydrophobicContact CE1-CE1 3.74Å; Y286-Y328 AromaticContact CE2-CD1 3.95Å; Y286-Y328 HydrophobicContact CE2-CD1 3.95Å; Y286-Y328 AromaticContact CG-CD1 3.47Å; Y286-Y328 HydrophobicContact CG-CD1 3.47Å; Y286-Y328 VanDerWaalsContact CG-CD1 3.47Å; Y286-Y328 HydrophobicContact CG-CD2 4.29Å; Y286-Y328 AromaticContact CG-CE1 3.95Å; Y286-Y328 HydrophobicContact CG-CE1 3.95Å; Y286-Y328 AromaticContact CG-CG 3.68Å; Y286-Y328 HydrophobicContact CG-CG 3.68Å |
| 287 | C | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 102.7 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | H95 L96 V97 Y112 N125 Y229 | H95-C287 PolarHBondContact O-N 3.24Å; L96-C287 HydrophobicContact CD1-CB 4.48Å; V97-C287 PolarHBondContact N-O 2.74Å; Y112-C287 PolarHBondContact OH-SG 2.78Å; N125-C287 VanDerWaalsContact ND2-CB 3.27Å; N125-C287 WeakPolarHBondContact ND2-CB 3.41Å; N125-C287 PolarHBondContact ND2-SG 2.97Å; Y229-C287 CarbonylContact O-C 3.13Å |
| 288 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.5 | 177.1 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | V97 T99 C228 Y229 F231 Y286 L320 Y324 Y328 | V97-V288 HydrophobicContact CB-CB 4.39Å; V97-V288 HydrophobicContact CB-CG1 4.37Å; V97-V288 HydrophobicContact CB-CG2 4.11Å; V97-V288 HydrophobicContact CG1-CG1 4.26Å; V97-V288 HydrophobicContact CG1-CG2 4.46Å; V97-V288 HydrophobicContact CG2-CG2 4.43Å; T99-V288 HydrophobicContact CG2-CG1 3.52Å; C228-V288 CarbonylContact C-O 3.59Å; C228-V288 VanDerWaalsContact CA-O 3.29Å; C228-V288 WeakPolarHBondContact CA-O 3.02Å; Y229-V288 PolarHBondContact N-O 3.02Å; Y229-V288 PolarHBondContact O-N 3.24Å; F231-V288 HydrophobicContact CD2-CG2 4.05Å; F231-V288 HydrophobicContact CE2-CG2 3.92Å; Y286-V288 PolarHBondContact O-N 2.96Å; V288-L320 HydrophobicContact CB-CD2 4.43Å; V288-L320 HydrophobicContact CB-CG 4.49Å; V288-L320 HydrophobicContact CG1-CD1 3.71Å; V288-L320 HydrophobicContact CG1-CD2 4.32Å; V288-L320 HydrophobicContact CG1-CG 4.09Å; V288-Y324 HydrophobicContact CG1-CD2 3.73Å; V288-Y324 HydrophobicContact CG1-CE2 3.66Å; V288-Y324 HydrophobicContact CG1-CG 4.21Å; V288-Y324 HydrophobicContact CG2-CD1 4.48Å; V288-Y324 HydrophobicContact CG2-CD2 4.47Å; V288-Y324 HydrophobicContact CG2-CG 4.19Å; V288-Y328 HydrophobicContact CG2-CD2 4Å; V288-Y328 HydrophobicContact CG2-CE2 4.05Å |
| 289 | I | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.2 | 174.8 | -66 | 178 | 0 | 0 | 0 | 108.5 | L96 V97 T99 F126 F133 F137 V226 C228 | L96-I289 HydrophobicContact CD1-CD1 3.52Å; L96-I289 HydrophobicContact CD1-CG1 4.07Å; L96-I289 HydrophobicContact CG-CD1 4.49Å; V97-I289 PolarHBondContact O-N 3.33Å; T99-I289 VanDerWaalsContact CB-O 3.3Å; T99-I289 WeakPolarHBondContact CB-O 3.41Å; T99-I289 VanDerWaalsContact CG2-O 3.26Å; T99-I289 WeakPolarHBondContact CG2-O 3.33Å; T99-I289 PolarHBondContact N-O 3.01Å; T99-I289 PolarHBondContact OG1-O 3.34Å; F126-I289 HydrophobicContact CE1-CD1 3.85Å; F126-I289 HydrophobicContact CZ-CD1 3.99Å; F126-I289 HydrophobicContact CZ-CG1 4.43Å; F133-I289 HydrophobicContact CE2-CD1 4.39Å; F137-I289 HydrophobicContact CE2-CD1 3.61Å; F137-I289 HydrophobicContact CZ-CB 4.27Å; F137-I289 HydrophobicContact CZ-CD1 3.87Å; F137-I289 HydrophobicContact CZ-CG2 4.09Å; V226-I289 HydrophobicContact CG1-CG2 3.57Å; C228-I289 HydrophobicContact CB-CG1 4.37Å |
| 290 | G | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | trans | -72 | 180 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T99 V226 P227 | T99-G290 VanDerWaalsContact OG1-C 3.31Å; T99-G290 VanDerWaalsContact OG1-CA 3.22Å; T99-G290 WeakPolarHBondContact OG1-CA 3.46Å; V226-G290 WeakPolarHBondContact CG1-O 3.32Å; P227-G290 WeakPolarHBondContact O-CA 3.45Å; P227-G290 PolarHBondContact O-N 2.83Å | ||
| 291 | K | 97.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 62.2 Ų | 62.2 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 146.3 | 174.9 | 65.4 | -171.6 | 175.7 | -167.8 | 0 | 111.2 | A100 P227 Q316 E319 | A100-K291 HydrophobicContact CB-CB 4.15Å; P227-K291 WeakPolarHBondContact CD-O 3.46Å; K291-Q316 VanDerWaalsContact CE-CD 3.48Å; K291-Q316 PolarHBondContact O-OE1 3.48Å; K291-E319 IonicContact NZ-OE2 3.54Å |
| 292 | P | 98.2 | Very high | 97.3 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 144.3 | 174.4 | 28.2 | -34 | 0 | 0 | 0 | 111.6 | L102 Y108 D224 L225 V226 | L102-P292 HydrophobicContact CD2-CB 4.34Å; L102-P292 HydrophobicContact CD2-CG 4.37Å; Y108-P292 HydrophobicContact CD1-CB 4.46Å; Y108-P292 HydrophobicContact CE1-CB 3.92Å; D224-P292 HydrophobicContact CB-CB 4.38Å; L225-P292 CarbonylContact O-C 3.56Å; L225-P292 WeakPolarHBondContact O-CA 3.33Å; V226-P292 HydrophobicContact CG2-CB 4.23Å |
| 293 | I | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 116.1 | 171 | -42.1 | -169.3 | 0 | 0 | 0 | 107 | D224 L225 V295 L309 Q312 Y313 Q316 | D224-I293 WeakPolarHBondContact CA-O 3.33Å; D224-I293 WeakPolarHBondContact CB-O 3.4Å; L225-I293 HydrophobicContact CB-CB 4.14Å; L225-I293 HydrophobicContact CB-CD1 4.46Å; L225-I293 HydrophobicContact CB-CG1 4.32Å; L225-I293 PolarHBondContact N-O 3.48Å; L225-I293 PolarHBondContact O-N 3.24Å; I293-V295 PolarHBondContact O-N 3.33Å; I293-L309 HydrophobicContact CG2-CD1 3.88Å; I293-Q312 HydrophobicContact CD1-CG 4.5Å; I293-Q312 HydrophobicContact CG2-CG 4.2Å; I293-Y313 HydrophobicContact CD1-CD2 4.1Å; I293-Q316 HydrophobicContact CD1-CB 4.31Å; I293-Q316 VanDerWaalsContact CD1-CD 3.47Å; I293-Q316 HydrophobicContact CD1-CG 4.05Å |
| 294 | Y | 97.9 | Very high | 97.6 | Very high | 156 Ų | 156 | 63.6 Ų | 63.6 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 128.2 | 177.2 | 177.5 | -93.6 | 0 | 0 | 0 | 110.6 | D224 K296 | D224-Y294 WeakPolarHBondContact OD1-CA 3.18Å; Y294-K296 HydrophobicContact CE1-CB 4.39Å |
| 295 | V | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | trans | -112.1 | 121.7 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | A218 I219 A223 D224 L225 I293 L309 | A218-V295 HydrophobicContact CB-CG2 4.46Å; I219-V295 HydrophobicContact CB-CG1 4.3Å; I219-V295 HydrophobicContact CG1-CG1 3.97Å; A223-V295 WeakPolarHBondContact O-CB 3.31Å; A223-V295 WeakPolarHBondContact O-CG2 3.31Å; D224-V295 PolarHBondContact OD1-N 3.36Å; L225-V295 HydrophobicContact CB-CG2 4.49Å; L225-V295 HydrophobicContact CD1-CG2 4.26Å; L225-V295 HydrophobicContact CG-CG2 4.02Å; I293-V295 PolarHBondContact O-N 3.33Å; V295-L309 HydrophobicContact CG1-CD2 4.01Å; V295-L309 HydrophobicContact CG2-CD1 4.33Å; V295-L309 HydrophobicContact CG2-CD2 3.81Å | ||
| 296 | K | 96.8 | Very high | 97.6 | Very high | 172 Ų | 172 | 65.5 Ų | 65.5 | 75% | 0.748 | 32% | 0.321 | S | S | * | . | trans | -77.8 | 121.5 | 170.3 | -175.2 | 176.9 | -179.6 | 178.5 | 0 | 109.3 | Y294 | Y294-K296 HydrophobicContact CE1-CB 4.39Š| ||
| 297 | Q | 97 | Very high | 97.6 | Very high | 115 Ų | 115 | 65.5 Ų | 65.5 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | trans | -68.1 | 138.4 | -178 | -168.9 | 175.4 | -2.5 | 0 | 0 | 112.1 | I219 Q220 | I219-Q297 CarbonylContact O-C 3.47Å; I219-Q297 VanDerWaalsContact O-CA 3.23Å; I219-Q297 WeakPolarHBondContact O-CA 3.34Å; I219-Q297 WeakPolarHBondContact O-CG 3.44Å; Q220-Q297 PolarHBondContact O-NE2 3.3Å; Q220-Q297 VanDerWaalsContact O-NE2 3.12Å | ||
| 298 | S | 97.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | trans | -149.1 | 126.4 | 170.9 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | I219 Q220 K300 P301 | I219-S298 PolarHBondContact O-N 2.93Å; Q220-S298 WeakPolarHBondContact CA-O 3.22Å; S298-K300 VanDerWaalsContact C-N 3.28Å; S298-K300 PolarHBondContact O-N 2.88Å; S298-P301 WeakPolarHBondContact O-CD 3.5Å | ||
| 299 | D | 95.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 70.2 Ų | 70.2 | 66% | 0.663 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -64.9 | -35.4 | -179.8 | -65.9 | -27.7 | 0 | 0 | 0 | 112.2 | Q220 P301 | Q220-D299 PolarHBondContact NE2-O 3.28Å; D299-P301 WeakPolarHBondContact O-CD 3.3Å |
| 300 | K | 96.5 | Very high | 97.6 | Very high | 188 Ų | 188 | 70.8 Ų | 70.8 | 82% | 0.817 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -125 | 72.3 | -178.6 | -64.8 | -178.9 | -177.7 | 176 | 0 | 109.5 | S298 D302 | S298-K300 VanDerWaalsContact C-N 3.28Å; S298-K300 PolarHBondContact O-N 2.88Å; K300-D302 PolarHBondContact O-N 3.47Å |
| 301 | P | 96.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 77 Ų | 77 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | trans | -65.8 | 134 | 179.6 | 28.4 | -33.5 | 0 | 0 | 0 | 110.4 | K216 I219 Q220 S298 D299 I306 | K216-P301 HydrophobicContact CG-CG 4.07Å; I219-P301 HydrophobicContact CB-CB 4.23Å; I219-P301 HydrophobicContact CB-CG 4.43Å; I219-P301 HydrophobicContact CD1-CB 4.21Å; I219-P301 HydrophobicContact CG2-CB 3.64Å; I219-P301 HydrophobicContact CG2-CG 4.17Å; Q220-P301 HydrophobicContact CG-CG 3.99Å; S298-P301 WeakPolarHBondContact O-CD 3.5Å; D299-P301 WeakPolarHBondContact O-CD 3.3Å; P301-I306 HydrophobicContact CB-CD1 4.4Å; P301-I306 HydrophobicContact CB-CG1 4.16Å; P301-I306 HydrophobicContact CG-CD1 4.29Å; P301-I306 HydrophobicContact CG-CG1 4.43Å | ||
| 302 | D | 97.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 76.2 Ų | 76.2 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | trans | -75.7 | 167.6 | 171.5 | 67.1 | 48.7 | 0 | 0 | 0 | 111 | K300 A304 Q305 I306 | K300-D302 PolarHBondContact O-N 3.47Å; D302-A304 VanDerWaalsContact C-N 3.28Å; D302-A304 PolarHBondContact O-N 2.88Å; D302-A304 WeakPolarHBondContact OD1-CA 3.46Å; D302-A304 WeakPolarHBondContact OD1-CB 3.2Å; D302-A304 PolarHBondContact OD1-N 3.09Å; D302-Q305 PolarHBondContact O-N 3.24Å; D302-Q305 WeakPolarHBondContact OD1-CB 3.22Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.92Å; D302-I306 WeakPolarHBondContact O-CG1 3.27Å; D302-I306 PolarHBondContact O-N 3.47Å | ||
| 303 | Q | 97.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -30.5 | -177.5 | -169 | 59.5 | 49.8 | 0 | 0 | 112.4 | I306 D307 | Q303-I306 PolarHBondContact O-N 3.5Å; Q303-D307 PolarHBondContact NE2-OD1 3.2Å; Q303-D307 VanDerWaalsContact O-CB 3.32Å; Q303-D307 WeakPolarHBondContact O-CB 3.49Å; Q303-D307 PolarHBondContact O-N 2.88Å |
| 304 | A | 97.7 | Very high | 97.6 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D302 D307 S308 | D302-A304 VanDerWaalsContact C-N 3.28Å; D302-A304 PolarHBondContact O-N 2.88Å; D302-A304 WeakPolarHBondContact OD1-CA 3.46Å; D302-A304 WeakPolarHBondContact OD1-CB 3.2Å; D302-A304 PolarHBondContact OD1-N 3.09Å; A304-D307 PolarHBondContact O-N 3.28Å; A304-S308 VanDerWaalsContact O-CB 3.29Å; A304-S308 WeakPolarHBondContact O-CB 3.48Å; A304-S308 PolarHBondContact O-N 2.94Å |
| 305 | Q | 97.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 172.6 | -72.1 | 174.6 | -10.3 | 0 | 0 | 111.3 | D302 L309 | D302-Q305 PolarHBondContact O-N 3.24Å; D302-Q305 WeakPolarHBondContact OD1-CB 3.22Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.92Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 PolarHBondContact O-N 3.27Å; Q305-L309 VanDerWaalsContact O-N 3.08Å |
| 306 | I | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.2 | -65.4 | 167.6 | 0 | 0 | 0 | 110.5 | K212 I215 K216 I219 P301 D302 Q303 H310 | K212-I306 HydrophobicContact CB-CG2 3.85Å; K212-I306 HydrophobicContact CD-CG2 4.26Å; K212-I306 HydrophobicContact CG-CG2 4.45Å; I215-I306 HydrophobicContact CB-CG2 4.42Å; I215-I306 HydrophobicContact CG2-CG2 4.17Å; K216-I306 HydrophobicContact CB-CD1 4.07Å; K216-I306 HydrophobicContact CB-CG1 4.42Å; K216-I306 HydrophobicContact CD-CD1 4.16Å; K216-I306 HydrophobicContact CG-CD1 4.05Å; I219-I306 HydrophobicContact CD1-CG1 3.94Å; P301-I306 HydrophobicContact CB-CD1 4.4Å; P301-I306 HydrophobicContact CB-CG1 4.16Å; P301-I306 HydrophobicContact CG-CD1 4.29Å; P301-I306 HydrophobicContact CG-CG1 4.43Å; D302-I306 WeakPolarHBondContact O-CG1 3.27Å; D302-I306 PolarHBondContact O-N 3.47Å; Q303-I306 PolarHBondContact O-N 3.5Å; I306-H310 WeakPolarHBondContact O-CB 3.32Å; I306-H310 PolarHBondContact O-N 2.97Å |
| 307 | D | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | -176.8 | -71.9 | -4.8 | 0 | 0 | 0 | 112.4 | K212 Q303 A304 H310 K311 | K212-D307 WeakPolarHBondContact CD-OD1 3.41Å; K212-D307 WeakPolarHBondContact CE-OD1 3.47Å; K212-D307 VanDerWaalsContact NZ-CG 3.28Å; K212-D307 IonicContact NZ-OD1 3.29Å; K212-D307 PolarHBondContact NZ-OD1 2.85Å; K212-D307 IonicContact NZ-OD2 2.78Å; Q303-D307 PolarHBondContact NE2-OD1 3.2Å; Q303-D307 VanDerWaalsContact O-CB 3.32Å; Q303-D307 WeakPolarHBondContact O-CB 3.49Å; Q303-D307 PolarHBondContact O-N 2.88Å; A304-D307 PolarHBondContact O-N 3.28Å; D307-H310 PolarHBondContact O-N 3.21Å; D307-K311 WeakPolarHBondContact O-CB 3.43Å; D307-K311 PolarHBondContact O-N 2.84Å |
| 308 | S | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | A304 K311 Q312 | A304-S308 VanDerWaalsContact O-CB 3.29Å; A304-S308 WeakPolarHBondContact O-CB 3.48Å; A304-S308 PolarHBondContact O-N 2.94Å; S308-K311 PolarHBondContact O-N 3.32Å; S308-Q312 PolarHBondContact O-N 2.91Å; S308-Q312 VanDerWaalsContact O-N 3.08Å |
| 309 | L | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.6 | -37 | 179.6 | -176.2 | 61 | 0 | 0 | 0 | 111.7 | I215 I219 L225 I293 V295 Q305 Q312 Y313 | I215-L309 HydrophobicContact CG2-CB 3.89Å; I215-L309 HydrophobicContact CG2-CD2 3.83Å; I215-L309 HydrophobicContact CG2-CG 3.91Å; I219-L309 HydrophobicContact CD1-CD2 3.9Å; I219-L309 HydrophobicContact CG1-CD2 3.51Å; L225-L309 HydrophobicContact CD1-CD1 3.99Å; L225-L309 HydrophobicContact CD1-CD2 3.7Å; L225-L309 HydrophobicContact CD1-CG 3.66Å; I293-L309 HydrophobicContact CG2-CD1 3.88Å; V295-L309 HydrophobicContact CG1-CD2 4.01Å; V295-L309 HydrophobicContact CG2-CD1 4.33Å; V295-L309 HydrophobicContact CG2-CD2 3.81Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 PolarHBondContact O-N 3.27Å; Q305-L309 VanDerWaalsContact O-N 3.08Å; L309-Q312 PolarHBondContact O-N 2.97Å; L309-Y313 WeakPolarHBondContact O-CB 3.49Å; L309-Y313 PolarHBondContact O-N 3.36Å |
| 310 | H | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 173.7 | -178.7 | -104.4 | 0 | 0 | 0 | 111.6 | L208 N209 K212 I215 I306 D307 Y313 V314 | L208-H310 PolarHBondContact O-CE1 3.25Å; L208-H310 PolarHBondContact O-NE2 3.47Å; N209-H310 PolarHBondContact O-CE1 3.4Å; K212-H310 HydrophobicContact CG-CB 4.41Å; I215-H310 HydrophobicContact CD1-CB 4.42Å; I215-H310 HydrophobicContact CG1-CB 3.95Å; I215-H310 HydrophobicContact CG2-CB 4.42Å; I306-H310 WeakPolarHBondContact O-CB 3.32Å; I306-H310 PolarHBondContact O-N 2.97Å; D307-H310 PolarHBondContact O-N 3.21Å; H310-Y313 WeakPolarHBondContact O-CB 3.49Å; H310-Y313 PolarHBondContact O-N 3.49Å; H310-V314 WeakPolarHBondContact O-CG2 3.37Å; H310-V314 PolarHBondContact O-N 2.89Å |
| 311 | K | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 52.6 Ų | 52.6 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.8 | -48.7 | 174.8 | -179.3 | 179.2 | 173.2 | -177.4 | 0 | 111.4 | D307 S308 Y313 V314 E315 | D307-K311 WeakPolarHBondContact O-CB 3.43Å; D307-K311 PolarHBondContact O-N 2.84Å; S308-K311 PolarHBondContact O-N 3.32Å; K311-Y313 VanDerWaalsContact C-N 3.3Å; K311-Y313 PolarHBondContact O-N 2.66Å; K311-V314 PolarHBondContact O-N 3.06Å; K311-E315 WeakPolarHBondContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact O-CG 3.42Å; K311-E315 PolarHBondContact O-N 3.11Å |
| 312 | Q | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.7 | -171.1 | 179.9 | 33.9 | 0 | 0 | 112 | I293 S308 L309 E315 Q316 | I293-Q312 HydrophobicContact CD1-CG 4.5Å; I293-Q312 HydrophobicContact CG2-CG 4.2Å; S308-Q312 PolarHBondContact O-N 2.91Å; S308-Q312 VanDerWaalsContact O-N 3.08Å; L309-Q312 PolarHBondContact O-N 2.97Å; Q312-E315 PolarHBondContact O-N 3.24Å; Q312-Q316 WeakPolarHBondContact O-CG 3.3Å; Q312-Q316 PolarHBondContact O-N 3.39Å |
| 313 | Y | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.8 | -180 | -89.9 | 0 | 0 | 0 | 112.3 | G111 H113 L208 F214 I215 L225 P227 I293 L309 H310 K311 Q316 I317 | G111-Y313 VanDerWaalsContact CA-OH 3.26Å; G111-Y313 WeakPolarHBondContact CA-OH 3.37Å; G111-Y313 PolarHBondContact O-OH 2.85Å; H113-Y313 PolarHBondContact CD2-OH 3.33Å; H113-Y313 AromaticContact NE2-CE1 3.67Å; H113-Y313 AromaticContact NE2-CZ 3.67Å; H113-Y313 PolarHBondContact NE2-OH 2.77Å; L208-Y313 HydrophobicContact CD1-CD1 4.43Å; L208-Y313 HydrophobicContact CD1-CE1 4.16Å; L208-Y313 HydrophobicContact CD2-CD1 4.26Å; L208-Y313 HydrophobicContact CD2-CE1 4.07Å; F214-Y313 HydrophobicContact CE2-CD1 4.19Å; F214-Y313 HydrophobicContact CE2-CD2 4.2Å; F214-Y313 AromaticContact CE2-CE1 4Å; F214-Y313 HydrophobicContact CE2-CE1 4Å; F214-Y313 HydrophobicContact CE2-CE2 4Å; F214-Y313 HydrophobicContact CE2-CG 4.29Å; F214-Y313 AromaticContact CE2-CZ 3.9Å; F214-Y313 AromaticContact CZ-CD1 3.71Å; F214-Y313 HydrophobicContact CZ-CD1 3.71Å; F214-Y313 AromaticContact CZ-CE1 3.57Å; F214-Y313 HydrophobicContact CZ-CE1 3.57Å; F214-Y313 HydrophobicContact CZ-CE2 4.41Å; F214-Y313 HydrophobicContact CZ-CG 4.2Å; F214-Y313 AromaticContact CZ-CZ 3.94Å; I215-Y313 HydrophobicContact CD1-CG 4.13Å; L225-Y313 HydrophobicContact CB-CD2 4.08Å; L225-Y313 HydrophobicContact CB-CE2 4.49Å; L225-Y313 HydrophobicContact CD1-CD2 4.25Å; P227-Y313 HydrophobicContact CB-CE2 4.09Å; I293-Y313 HydrophobicContact CD1-CD2 4.1Å; L309-Y313 WeakPolarHBondContact O-CB 3.49Å; L309-Y313 PolarHBondContact O-N 3.36Å; H310-Y313 WeakPolarHBondContact O-CB 3.49Å; H310-Y313 PolarHBondContact O-N 3.49Å; K311-Y313 VanDerWaalsContact C-N 3.3Å; K311-Y313 PolarHBondContact O-N 2.66Å; Y313-Q316 PolarHBondContact O-N 2.96Å; Y313-I317 HydrophobicContact CD1-CG1 4.26Å; Y313-I317 HydrophobicContact CE1-CD1 4.39Å; Y313-I317 HydrophobicContact CE1-CG1 3.74Å; Y313-I317 PolarHBondContact O-N 2.91Å |
| 314 | V | 98.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | L208 H310 K311 I317 K318 I338 | L208-V314 HydrophobicContact CD2-CG2 3.75Å; L208-V314 HydrophobicContact CG-CG2 4Å; H310-V314 WeakPolarHBondContact O-CG2 3.37Å; H310-V314 PolarHBondContact O-N 2.89Å; K311-V314 PolarHBondContact O-N 3.06Å; V314-I317 PolarHBondContact O-N 2.91Å; V314-K318 HydrophobicContact CG1-CD 4.44Å; V314-K318 WeakPolarHBondContact O-CG 3.45Å; V314-K318 PolarHBondContact O-N 3.43Å; V314-I338 HydrophobicContact CG1-CD1 3.66Å |
| 315 | E | 98 | Very high | 97.7 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.7 | -74.1 | 168.2 | -179.4 | 0 | 0 | 111.3 | K311 Q312 I317 K318 E319 | K311-E315 WeakPolarHBondContact CE-OE1 3.29Å; K311-E315 WeakPolarHBondContact O-CG 3.42Å; K311-E315 PolarHBondContact O-N 3.11Å; Q312-E315 PolarHBondContact O-N 3.24Å; E315-I317 PolarHBondContact O-N 2.89Å; E315-K318 WeakPolarHBondContact O-CB 3.36Å; E315-K318 PolarHBondContact O-N 3.48Å; E315-E319 WeakPolarHBondContact O-CG 3.31Å; E315-E319 PolarHBondContact O-N 3.29Å |
| 316 | Q | 97.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -34 | 177.2 | -69.8 | -161.4 | 20.3 | 0 | 0 | 113.9 | P227 K291 I293 Q312 Y313 K318 L320 | P227-Q316 HydrophobicContact CG-CB 3.99Å; K291-Q316 VanDerWaalsContact CE-CD 3.48Å; K291-Q316 PolarHBondContact O-OE1 3.48Å; I293-Q316 HydrophobicContact CD1-CB 4.31Å; I293-Q316 VanDerWaalsContact CD1-CD 3.47Å; I293-Q316 HydrophobicContact CD1-CG 4.05Å; Q312-Q316 WeakPolarHBondContact O-CG 3.3Å; Q312-Q316 PolarHBondContact O-N 3.39Å; Y313-Q316 PolarHBondContact O-N 2.96Å; Q316-K318 VanDerWaalsContact C-N 3.35Å; Q316-L320 VanDerWaalsContact O-CB 3.24Å; Q316-L320 WeakPolarHBondContact O-CB 3.05Å; Q316-L320 PolarHBondContact O-N 3.42Å |
| 317 | I | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 172.4 | -75.2 | -74.8 | 0 | 0 | 0 | 110.6 | L206 P227 Y229 Y313 V314 E315 L320 F321 L336 | L206-I317 HydrophobicContact CD1-CG2 3.73Å; P227-I317 HydrophobicContact CB-CD1 3.28Å; P227-I317 HydrophobicContact CB-CG1 3.65Å; Y229-I317 HydrophobicContact CD2-CG2 4.46Å; Y313-I317 HydrophobicContact CD1-CG1 4.26Å; Y313-I317 HydrophobicContact CE1-CD1 4.39Å; Y313-I317 HydrophobicContact CE1-CG1 3.74Å; Y313-I317 PolarHBondContact O-N 2.91Å; V314-I317 PolarHBondContact O-N 2.91Å; E315-I317 PolarHBondContact O-N 2.89Å; I317-L320 PolarHBondContact O-N 2.84Å; I317-F321 WeakPolarHBondContact O-CB 3.33Å; I317-F321 PolarHBondContact O-N 3.18Å; I317-L336 HydrophobicContact CG2-CD2 3.95Å |
| 318 | K | 97.9 | Very high | 97.4 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 176 | -70.8 | 178.1 | 177 | -170.5 | 0 | 111.7 | V314 E315 Q316 L320 F321 D322 L336 I338 | V314-K318 HydrophobicContact CG1-CD 4.44Å; V314-K318 WeakPolarHBondContact O-CG 3.45Å; V314-K318 PolarHBondContact O-N 3.43Å; E315-K318 WeakPolarHBondContact O-CB 3.36Å; E315-K318 PolarHBondContact O-N 3.48Å; Q316-K318 VanDerWaalsContact C-N 3.35Å; K318-L320 VanDerWaalsContact C-N 3.3Å; K318-L320 PolarHBondContact O-N 3.19Å; K318-F321 WeakPolarHBondContact O-CB 3.16Å; K318-F321 PolarHBondContact O-N 2.87Å; K318-F321 VanDerWaalsContact O-N 3.17Å; K318-D322 PolarHBondContact O-N 2.87Å; K318-L336 HydrophobicContact CB-CD2 4.49Å; K318-L336 HydrophobicContact CG-CD2 3.93Å; K318-I338 HydrophobicContact CD-CD1 4.42Å; K318-I338 HydrophobicContact CG-CD1 4.09Å |
| 319 | E | 97.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 175.4 | -73.7 | 176.9 | -173.1 | 0 | 0 | 111.7 | K291 E315 K323 | K291-E319 IonicContact NZ-OE2 3.54Å; E315-E319 WeakPolarHBondContact O-CG 3.31Å; E315-E319 PolarHBondContact O-N 3.29Å; E319-K323 VanDerWaalsContact O-CB 3.23Å; E319-K323 WeakPolarHBondContact O-CB 3.35Å; E319-K323 PolarHBondContact O-N 3.37Å |
| 320 | L | 97.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 178.5 | -165.2 | 69.4 | 0 | 0 | 0 | 111.1 | T99 V288 Q316 I317 K318 Y324 | T99-L320 HydrophobicContact CG2-CD1 4.35Å; V288-L320 HydrophobicContact CB-CD2 4.43Å; V288-L320 HydrophobicContact CB-CG 4.49Å; V288-L320 HydrophobicContact CG1-CD1 3.71Å; V288-L320 HydrophobicContact CG1-CD2 4.32Å; V288-L320 HydrophobicContact CG1-CG 4.09Å; Q316-L320 VanDerWaalsContact O-CB 3.24Å; Q316-L320 WeakPolarHBondContact O-CB 3.05Å; Q316-L320 PolarHBondContact O-N 3.42Å; I317-L320 PolarHBondContact O-N 2.84Å; K318-L320 VanDerWaalsContact C-N 3.3Å; K318-L320 PolarHBondContact O-N 3.19Å; L320-Y324 HydrophobicContact CD1-CD2 4.04Å; L320-Y324 HydrophobicContact CD1-CE2 3.9Å; L320-Y324 HydrophobicContact CG-CD2 4.46Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 PolarHBondContact O-N 3.08Å |
| 321 | F | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -54.5 | 175.8 | 177.1 | -96.6 | 0 | 0 | 0 | 111.4 | H204 Y229 F231 I317 K318 K323 Y324 K325 C334 L336 | H204-F321 HydrophobicContact CB-CE2 3.8Å; H204-F321 HydrophobicContact CB-CZ 4.03Å; H204-F321 AromaticContact CG-CE2 3.53Å; H204-F321 AromaticContact CG-CZ 3.92Å; H204-F321 AromaticContact ND1-CE2 3.53Å; Y229-F321 HydrophobicContact CD1-CD2 4.31Å; Y229-F321 AromaticContact CE1-CD2 3.71Å; Y229-F321 HydrophobicContact CE1-CD2 3.71Å; Y229-F321 HydrophobicContact CE1-CE2 4.15Å; Y229-F321 HydrophobicContact CE2-CD2 4.08Å; Y229-F321 AromaticContact CZ-CD2 3.58Å; Y229-F321 AromaticContact CZ-CE2 4Å; F231-F321 AromaticContact CE1-CD2 3.63Å; F231-F321 HydrophobicContact CE1-CD2 3.63Å; F231-F321 AromaticContact CE1-CE2 3.77Å; F231-F321 HydrophobicContact CE1-CE2 3.77Å; F231-F321 AromaticContact CZ-CD2 3.99Å; F231-F321 HydrophobicContact CZ-CD2 3.99Å; I317-F321 WeakPolarHBondContact O-CB 3.33Å; I317-F321 PolarHBondContact O-N 3.18Å; K318-F321 WeakPolarHBondContact O-CB 3.16Å; K318-F321 PolarHBondContact O-N 2.87Å; K318-F321 VanDerWaalsContact O-N 3.17Å; F321-K323 VanDerWaalsContact C-N 3.28Å; F321-K323 PolarHBondContact O-N 2.96Å; F321-Y324 PolarHBondContact O-N 3.32Å; F321-Y324 VanDerWaalsContact O-N 3.14Å; F321-K325 HydrophobicContact CD1-CB 4.45Å; F321-K325 HydrophobicContact CD1-CD 3.93Å; F321-K325 HydrophobicContact CE1-CB 4.15Å; F321-K325 HydrophobicContact CE1-CD 3.48Å; F321-K325 VanDerWaalsContact CE1-CD 3.48Å; F321-K325 HydrophobicContact CE1-CG 4.45Å; F321-K325 HydrophobicContact CE2-CB 4.31Å; F321-K325 HydrophobicContact CZ-CB 4.09Å; F321-K325 HydrophobicContact CZ-CD 4.11Å; F321-K325 VanDerWaalsContact O-CB 3.3Å; F321-K325 WeakPolarHBondContact O-CB 3.27Å; F321-K325 PolarHBondContact O-N 3.35Å; F321-C334 HydrophobicContact CZ-CB 4.45Å; F321-C334 VanDerWaalsContact CZ-SG 3.53Å; F321-L336 HydrophobicContact CB-CD2 3.89Å; F321-L336 HydrophobicContact CD1-CB 3.56Å; F321-L336 HydrophobicContact CD1-CD2 4.43Å; F321-L336 HydrophobicContact CD2-CB 4.29Å; F321-L336 HydrophobicContact CD2-CD1 4.32Å; F321-L336 HydrophobicContact CE1-CB 3.68Å; F321-L336 HydrophobicContact CE2-CB 4.41Å; F321-L336 HydrophobicContact CG-CB 3.86Å; F321-L336 HydrophobicContact CG-CD1 4.45Å; F321-L336 HydrophobicContact CG-CD2 4.11Å; F321-L336 HydrophobicContact CG-CG 4.38Å; F321-L336 HydrophobicContact CZ-CB 4.1Å |
| 322 | D | 96.8 | Very high | 95.3 | Very high | 86 Ų | 86 | 67.7 Ų | 67.7 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | -176 | -76 | -37.9 | 0 | 0 | 0 | 112.8 | K318 K325 | K318-D322 PolarHBondContact O-N 2.87Å; D322-K325 WeakPolarHBondContact OD1-CE 3.45Å; D322-K325 IonicContact OD1-NZ 3.76Å; D322-K325 PolarHBondContact OD1-NZ 3.44Å |
| 323 | K | 96.8 | Very high | 94.6 | Very high | 148 Ų | 148 | 71.1 Ų | 71.1 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | 176.7 | -177.3 | 173.5 | 177.9 | -178.5 | 0 | 112.9 | E319 F321 | E319-K323 VanDerWaalsContact O-CB 3.23Å; E319-K323 WeakPolarHBondContact O-CB 3.35Å; E319-K323 PolarHBondContact O-N 3.37Å; F321-K323 VanDerWaalsContact C-N 3.28Å; F321-K323 PolarHBondContact O-N 2.96Å |
| 324 | Y | 97.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 71.5 Ų | 71.5 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -110.4 | -10.8 | -169.9 | -72.2 | -78.6 | 0 | 0 | 0 | 114.6 | V97 T99 V288 L320 F321 K326 Q327 Y328 | V97-Y324 HydrophobicContact CG1-CE1 4.48Å; T99-Y324 HydrophobicContact CG2-CE2 3.93Å; T99-Y324 WeakPolarHBondContact CG2-OH 3.07Å; V288-Y324 HydrophobicContact CG1-CD2 3.73Å; V288-Y324 HydrophobicContact CG1-CE2 3.66Å; V288-Y324 HydrophobicContact CG1-CG 4.21Å; V288-Y324 HydrophobicContact CG2-CD1 4.48Å; V288-Y324 HydrophobicContact CG2-CD2 4.47Å; V288-Y324 HydrophobicContact CG2-CG 4.19Å; L320-Y324 HydrophobicContact CD1-CD2 4.04Å; L320-Y324 HydrophobicContact CD1-CE2 3.9Å; L320-Y324 HydrophobicContact CG-CD2 4.46Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 PolarHBondContact O-N 3.08Å; F321-Y324 PolarHBondContact O-N 3.32Å; F321-Y324 VanDerWaalsContact O-N 3.14Å; Y324-K326 VanDerWaalsContact C-N 3.33Å; Y324-K326 PolarHBondContact O-N 2.97Å; Y324-Q327 PolarHBondContact O-N 3.27Å; Y324-Y328 HydrophobicContact CD1-CD2 4.01Å; Y324-Y328 AromaticContact CD1-CE2 3.56Å; Y324-Y328 HydrophobicContact CD1-CE2 3.56Å; Y324-Y328 HydrophobicContact CE1-CE2 4.26Å; Y324-Y328 HydrophobicContact CG-CD2 4.38Å; Y324-Y328 HydrophobicContact CG-CE2 4.33Å; Y324-Y328 PolarHBondContact O-N 3.28Å |
| 325 | K | 96 | Very high | 94 | Very high | 46 Ų | 46 | 78 Ų | 78 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.4 | -42.3 | -177.5 | 68.4 | -175.3 | -175.8 | -171.9 | 0 | 113.2 | F231 F321 D322 Q327 Y328 A329 | F231-K325 HydrophobicContact CE1-CB 4.01Å; F321-K325 HydrophobicContact CD1-CB 4.45Å; F321-K325 HydrophobicContact CD1-CD 3.93Å; F321-K325 HydrophobicContact CE1-CB 4.15Å; F321-K325 HydrophobicContact CE1-CD 3.48Å; F321-K325 VanDerWaalsContact CE1-CD 3.48Å; F321-K325 HydrophobicContact CE1-CG 4.45Å; F321-K325 HydrophobicContact CE2-CB 4.31Å; F321-K325 HydrophobicContact CZ-CB 4.09Å; F321-K325 HydrophobicContact CZ-CD 4.11Å; F321-K325 VanDerWaalsContact O-CB 3.3Å; F321-K325 WeakPolarHBondContact O-CB 3.27Å; F321-K325 PolarHBondContact O-N 3.35Å; D322-K325 WeakPolarHBondContact OD1-CE 3.45Å; D322-K325 IonicContact OD1-NZ 3.76Å; D322-K325 PolarHBondContact OD1-NZ 3.44Å; K325-Q327 PolarHBondContact O-N 3.02Å; K325-Q327 VanDerWaalsContact O-N 3.17Å; K325-Y328 PolarHBondContact O-N 3.14Å; K325-A329 HydrophobicContact CB-CB 4.26Å; K325-A329 WeakPolarHBondContact O-CB 3.43Å; K325-A329 PolarHBondContact O-N 3.29Å |
| 326 | K | 95.1 | Very high | 93.9 | Very high | 187 Ų | 187 | 75.2 Ų | 75.2 | 81% | 0.813 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.1 | -26.1 | 177.7 | -66.7 | -170.2 | 177.3 | -172.4 | 0 | 113.5 | Y324 | Y324-K326 VanDerWaalsContact C-N 3.33Å; Y324-K326 PolarHBondContact O-N 2.97Å |
| 327 | Q | 95.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 77.4 Ų | 77.4 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -92 | -35.2 | -177.4 | -168.1 | -179.6 | -5.8 | 0 | 0 | 112.4 | Y324 K325 | Y324-Q327 PolarHBondContact O-N 3.27Å; K325-Q327 PolarHBondContact O-N 3.02Å; K325-Q327 VanDerWaalsContact O-N 3.17Å |
| 328 | Y | 96.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 15% | 0.153 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -126.5 | -14.7 | -166 | -59.7 | -42.8 | 0 | 0 | 0 | 115.5 | V97 F231 Y286 V288 Y324 K325 | V97-Y328 HydrophobicContact CG2-CE2 4.13Å; F231-Y328 WeakPolarHBondContact CB-O 3.22Å; F231-Y328 HydrophobicContact CD2-CD2 4.18Å; F231-Y328 HydrophobicContact CD2-CG 4.5Å; F231-Y328 HydrophobicContact CE2-CD2 4.46Å; Y286-Y328 AromaticContact CD1-CD1 3.52Å; Y286-Y328 HydrophobicContact CD1-CD1 3.52Å; Y286-Y328 AromaticContact CD1-CE1 3.51Å; Y286-Y328 HydrophobicContact CD1-CE1 3.51Å; Y286-Y328 HydrophobicContact CD1-CG 4.13Å; Y286-Y328 AromaticContact CD2-CD1 3.69Å; Y286-Y328 HydrophobicContact CD2-CD1 3.69Å; Y286-Y328 AromaticContact CD2-CG 3.94Å; Y286-Y328 HydrophobicContact CD2-CG 3.94Å; Y286-Y328 AromaticContact CE1-CD1 3.82Å; Y286-Y328 HydrophobicContact CE1-CD1 3.82Å; Y286-Y328 AromaticContact CE1-CE1 3.74Å; Y286-Y328 HydrophobicContact CE1-CE1 3.74Å; Y286-Y328 AromaticContact CE2-CD1 3.95Å; Y286-Y328 HydrophobicContact CE2-CD1 3.95Å; Y286-Y328 AromaticContact CG-CD1 3.47Å; Y286-Y328 HydrophobicContact CG-CD1 3.47Å; Y286-Y328 VanDerWaalsContact CG-CD1 3.47Å; Y286-Y328 HydrophobicContact CG-CD2 4.29Å; Y286-Y328 AromaticContact CG-CE1 3.95Å; Y286-Y328 HydrophobicContact CG-CE1 3.95Å; Y286-Y328 AromaticContact CG-CG 3.68Å; Y286-Y328 HydrophobicContact CG-CG 3.68Å; V288-Y328 HydrophobicContact CG2-CD2 4Å; V288-Y328 HydrophobicContact CG2-CE2 4.05Å; Y324-Y328 HydrophobicContact CD1-CD2 4.01Å; Y324-Y328 AromaticContact CD1-CE2 3.56Å; Y324-Y328 HydrophobicContact CD1-CE2 3.56Å; Y324-Y328 HydrophobicContact CE1-CE2 4.26Å; Y324-Y328 HydrophobicContact CG-CD2 4.38Å; Y324-Y328 HydrophobicContact CG-CE2 4.33Å; Y324-Y328 PolarHBondContact O-N 3.28Å; K325-Y328 PolarHBondContact O-N 3.14Å |
| 329 | A | 93.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 77.3 Ų | 77.3 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | trans | -70.4 | 150.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F231 K325 T331 C334 | F231-A329 HydrophobicContact CD1-CB 4.12Å; F231-A329 HydrophobicContact CE1-CB 4.47Å; K325-A329 HydrophobicContact CB-CB 4.26Å; K325-A329 WeakPolarHBondContact O-CB 3.43Å; K325-A329 PolarHBondContact O-N 3.29Å; A329-T331 VanDerWaalsContact C-N 3.28Å; A329-C334 WeakPolarHBondContact CB-SG 3.31Å | ||
| 330 | S | 88 | Confident | 93.4 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -77.9 | -14.8 | 178.2 | 45 | 0 | 0 | 0 | 0 | 113.2 | D235 | D235-S330 VanDerWaalsContact OD2-CB 3.24Å; D235-S330 WeakPolarHBondContact OD2-CB 3.33Å; D235-S330 PolarHBondContact OD2-OG 3.34Å |
| 331 | T | 87.7 | Confident | 93.2 | Very high | 65 Ų | 65 | 79 Ų | 79 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -132.5 | 135 | -179.3 | 50 | 0 | 0 | 0 | 0 | 110 | A329 C334 | A329-T331 VanDerWaalsContact C-N 3.28Å; T331-C334 PolarHBondContact O-SG 2.92Å; T331-C334 WeakPolarHBondContact OG1-CB 3.31Å |
| 332 | E | 79.1 | Confident | 93 | Very high | 178 Ų | 178 | 83.4 Ų | 83.4 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -36.2 | -171.5 | -67.1 | -174 | 172 | 0 | 0 | 113.3 | C334 | E332-C334 PolarHBondContact O-N 3.25Š|
| 333 | D | 84.9 | Confident | 92.7 | Very high | 156 Ų | 156 | 83.2 Ų | 83.2 | 83% | 0.834 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 27.7 | -176.2 | -62.6 | -42.9 | 0 | 0 | 0 | 113.2 | ||
| 334 | C | 90.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | trans | -72.1 | 141.7 | -177.8 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | F321 A329 T331 E332 | F321-C334 HydrophobicContact CZ-CB 4.45Å; F321-C334 VanDerWaalsContact CZ-SG 3.53Å; A329-C334 WeakPolarHBondContact CB-SG 3.31Å; T331-C334 PolarHBondContact O-SG 2.92Å; T331-C334 WeakPolarHBondContact OG1-CB 3.31Å; E332-C334 PolarHBondContact O-N 3.25Å | ||
| 335 | E | 93.7 | Very high | 92.2 | Very high | 152 Ų | 152 | 82.5 Ų | 82.5 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | trans | -116.9 | 141.8 | 176.6 | -65.2 | -169.6 | 162.1 | 0 | 0 | 111.2 | V337 | E335-V337 PolarHBondContact O-N 2.82Š| ||
| 336 | L | 96.5 | Very high | 91.9 | Very high | 30 Ų | 30 | 85.1 Ų | 85.1 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 110.5 | 174.1 | -179.2 | 67.9 | 0 | 0 | 0 | 109.8 | H204 L206 Y229 I317 K318 F321 I338 | H204-L336 HydrophobicContact CB-CD1 4.34Å; H204-L336 WeakPolarHBondContact O-CA 3.27Å; H204-L336 WeakPolarHBondContact O-CD1 3.44Å; L206-L336 HydrophobicContact CD1-CD1 3.79Å; L206-L336 HydrophobicContact CG-CD1 3.76Å; Y229-L336 HydrophobicContact CE2-CD1 3.73Å; I317-L336 HydrophobicContact CG2-CD2 3.95Å; K318-L336 HydrophobicContact CB-CD2 4.49Å; K318-L336 HydrophobicContact CG-CD2 3.93Å; F321-L336 HydrophobicContact CB-CD2 3.89Å; F321-L336 HydrophobicContact CD1-CB 3.56Å; F321-L336 HydrophobicContact CD1-CD2 4.43Å; F321-L336 HydrophobicContact CD2-CB 4.29Å; F321-L336 HydrophobicContact CD2-CD1 4.32Å; F321-L336 HydrophobicContact CE1-CB 3.68Å; F321-L336 HydrophobicContact CE2-CB 4.41Å; F321-L336 HydrophobicContact CG-CB 3.86Å; F321-L336 HydrophobicContact CG-CD1 4.45Å; F321-L336 HydrophobicContact CG-CD2 4.11Å; F321-L336 HydrophobicContact CG-CG 4.38Å; F321-L336 HydrophobicContact CZ-CB 4.1Å; L336-I338 HydrophobicContact CD2-CD1 4.25Å; L336-I338 HydrophobicContact CD2-CG1 4.44Å; L336-I338 HydrophobicContact CG-CG1 4.18Å |
| 337 | V | 96.4 | Very high | 91.7 | Very high | 66 Ų | 66 | 77.3 Ų | 77.3 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.4 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | H204 T205 L206 E335 L339 | H204-V337 PolarHBondContact O-N 3.38Å; T205-V337 CarbonylContact C-O 3.59Å; T205-V337 WeakPolarHBondContact CA-O 3.38Å; T205-V337 HydrophobicContact CG2-CB 4.47Å; T205-V337 HydrophobicContact CG2-CG1 4.43Å; L206-V337 PolarHBondContact N-O 3.14Å; E335-V337 PolarHBondContact O-N 2.82Å; V337-L339 HydrophobicContact CG1-CD2 3.96Å; V337-L339 HydrophobicContact CG1-CG 4.38Å |
| 338 | I | 96 | Very high | 91.3 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.138 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117 | 179 | -53.9 | -174.1 | 0 | 0 | 0 | 110.5 | L206 L208 N209 V314 K318 L336 | L206-I338 CarbonylContact O-C 3.41Å; L206-I338 WeakPolarHBondContact O-CA 3.32Å; L208-I338 HydrophobicContact CB-CG2 3.82Å; N209-I338 PolarHBondContact ND2-O 3.06Å; N209-I338 WeakPolarHBondContact OD1-CG2 3.33Å; V314-I338 HydrophobicContact CG1-CD1 3.66Å; K318-I338 HydrophobicContact CD-CD1 4.42Å; K318-I338 HydrophobicContact CG-CD1 4.09Å; L336-I338 HydrophobicContact CD2-CD1 4.25Å; L336-I338 HydrophobicContact CD2-CG1 4.44Å; L336-I338 HydrophobicContact CG-CG1 4.18Å |
| 339 | L | 93.4 | Very high | 90.9 | Very high | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.366 | 41% | 0.413 | S | S | . | . | trans | -101.3 | 0 | -178.3 | -57.1 | -176.6 | 0 | 0 | 0 | 113.9 | T205 L206 V207 L208 N209 V337 | T205-L339 HydrophobicContact CG2-CD1 3.48Å; T205-L339 VanDerWaalsContact CG2-CD1 3.48Å; T205-L339 HydrophobicContact CG2-CG 3.8Å; L206-L339 PolarHBondContact O-N 3.44Å; V207-L339 CarbonylContact C-O 3.6Å; L208-L339 PolarHBondContact N-O 3.34Å; N209-L339 WeakPolarHBondContact CB-O 3.37Å; N209-L339 WeakPolarHBondContact CB-OXT 3.13Å; N209-L339 PolarHBondContact N-O 3.16Å; N209-L339 WeakPolarHBondContact ND2-CA 3.43Å; N209-L339 PolarHBondContact ND2-OXT 3.4Å; V337-L339 HydrophobicContact CG1-CD2 3.96Å; V337-L339 HydrophobicContact CG1-CG 4.38Å |
Retrieved 339 of 339 residues in 253.1 ms
(Link to these results)