| 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 | 37.1 | Very low | 60.4 | Low | 235 Ų | 235 | 89.9 Ų | 89.9 | 100% | 1.158 | 50% | 0.495 | S | S | * | . | 0 | 138.1 | 0 | -67 | 172.5 | -176.5 | 0 | 0 | 106.6 | E3 | M1-E3 PolarHBondContact O-N 3.22Š| |||
| 2 | A | 43.8 | Very low | 62 | Low | 104 Ų | 104 | 82.4 Ų | 82.4 | 86% | 0.86 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 123.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | E | 48.7 | Very low | 63.1 | Low | 85 Ų | 85 | 81.6 Ų | 81.6 | 40% | 0.397 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 151.9 | 178.2 | -65.6 | -166.1 | 136.3 | 0 | 0 | 111.3 | M1 V8 R11 | M1-E3 PolarHBondContact O-N 3.22Å; E3-V8 HydrophobicContact CB-CG2 4.43Å; E3-R11 IonicContact OE1-CZ 2.77Å; E3-R11 IonicContact OE1-NH1 3.64Å; E3-R11 PolarHBondContact OE1-NH1 3.3Å; E3-R11 IonicContact OE1-NH2 3.83Å; E3-R11 PolarHBondContact OE1-NH2 3.25Å; E3-R11 IonicContact OE2-CZ 2.72Å; E3-R11 IonicContact OE2-NH1 2.74Å; E3-R11 PolarHBondContact OE2-NH1 3.15Å; E3-R11 IonicContact OE2-NH2 2.7Å; E3-R11 PolarHBondContact OE2-NH2 3.38Å |
| 4 | S | 51.5 | Low | 63.9 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 137 | 176.6 | 61 | 0 | 0 | 0 | 0 | 110.5 | V6 G7 | S4-V6 PolarHBondContact O-N 3.02Å; S4-G7 PolarHBondContact O-N 3.34Å |
| 5 | P | 60.3 | Low | 64.7 | Low | 62 Ų | 62 | 79.9 Ų | 79.9 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -51.8 | -36.6 | -177.8 | -29.9 | 35.2 | 0 | 0 | 0 | 114.4 | G7 V8 Y9 | P5-G7 VanDerWaalsContact C-N 3.25Å; P5-G7 PolarHBondContact O-N 3.12Å; P5-V8 PolarHBondContact O-N 3.29Å; P5-Y9 HydrophobicContact CB-CE2 4.47Å; P5-Y9 WeakPolarHBondContact O-CD2 3.4Å; P5-Y9 PolarHBondContact O-N 3.38Å |
| 6 | V | 65.6 | Low | 65.7 | Low | 100 Ų | 100 | 75.8 Ų | 75.8 | 61% | 0.606 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.3 | -30 | 178.4 | -177.6 | 0 | 0 | 0 | 0 | 113.1 | S4 | S4-V6 PolarHBondContact O-N 3.02Å |
| 7 | G | 68.6 | Low | 66.7 | Low | 25 Ų | 25 | 76.4 Ų | 76.4 | 26% | 0.258 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.3 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S4 P5 K10 R11 | S4-G7 PolarHBondContact O-N 3.34Å; P5-G7 VanDerWaalsContact C-N 3.25Å; P5-G7 PolarHBondContact O-N 3.12Å; G7-K10 PolarHBondContact O-N 3.18Å; G7-R11 PolarHBondContact O-N 3.11Å |
| 8 | V | 73.3 | Confident | 67.8 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | E3 P5 K10 R11 R12 H56 D57 | E3-V8 HydrophobicContact CB-CG2 4.43Å; P5-V8 PolarHBondContact O-N 3.29Å; V8-K10 PolarHBondContact O-N 3.48Å; V8-R11 PolarHBondContact O-N 3.07Å; V8-R11 VanDerWaalsContact O-N 3.17Å; V8-R12 HydrophobicContact CG1-CG 4.45Å; V8-R12 WeakPolarHBondContact O-CG 3.46Å; V8-R12 PolarHBondContact O-N 2.97Å; V8-H56 WeakPolarHBondContact CG1-O 3.44Å; V8-D57 HydrophobicContact CG1-CB 4.42Å |
| 9 | Y | 70 | Confident | 68.9 | Low | 62 Ų | 62 | 72.1 Ų | 72.1 | 24% | 0.243 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 178.1 | -73.1 | -65.1 | 0 | 0 | 0 | 112.8 | P5 R11 R12 D13 Y40 Q54 | P5-Y9 HydrophobicContact CB-CE2 4.47Å; P5-Y9 WeakPolarHBondContact O-CD2 3.4Å; P5-Y9 PolarHBondContact O-N 3.38Å; Y9-R11 VanDerWaalsContact C-N 3.26Å; Y9-R11 PolarHBondContact O-N 3.22Å; Y9-R12 WeakPolarHBondContact O-CB 3.44Å; Y9-R12 PolarHBondContact O-N 2.98Å; Y9-D13 PolarHBondContact O-N 3.27Å; Y9-Y40 PolarHBondContact OH-OH 3.01Å; Y9-Y40 VanDerWaalsContact OH-OH 3.05Å; Y9-Q54 PolarHBondContact OH-NE2 3.02Å |
| 10 | K | 72.1 | Confident | 70.2 | Confident | 139 Ų | 139 | 71.9 Ų | 71.9 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.7 | -35.6 | 177.5 | -70.8 | -177.4 | 176.3 | -170.5 | 0 | 113 | G7 V8 T14 | G7-K10 PolarHBondContact O-N 3.18Å; V8-K10 PolarHBondContact O-N 3.48Å; K10-T14 PolarHBondContact O-N 3.34Å; K10-T14 VanDerWaalsContact O-N 3.12Å; K10-T14 PolarHBondContact O-OG1 2.86Å |
| 11 | R | 74.1 | Confident | 71.3 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 173.3 | -70.8 | -168.8 | -164.9 | 144.2 | 14 | 111.5 | E3 G7 V8 Y9 D13 T14 I15 D57 | E3-R11 IonicContact OE1-CZ 2.77Å; E3-R11 IonicContact OE1-NH1 3.64Å; E3-R11 PolarHBondContact OE1-NH1 3.3Å; E3-R11 IonicContact OE1-NH2 3.83Å; E3-R11 PolarHBondContact OE1-NH2 3.25Å; E3-R11 IonicContact OE2-CZ 2.72Å; E3-R11 IonicContact OE2-NH1 2.74Å; E3-R11 PolarHBondContact OE2-NH1 3.15Å; E3-R11 IonicContact OE2-NH2 2.7Å; E3-R11 PolarHBondContact OE2-NH2 3.38Å; G7-R11 PolarHBondContact O-N 3.11Å; V8-R11 PolarHBondContact O-N 3.07Å; V8-R11 VanDerWaalsContact O-N 3.17Å; Y9-R11 VanDerWaalsContact C-N 3.26Å; Y9-R11 PolarHBondContact O-N 3.22Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.03Å; R11-T14 CarbonylContact O-C 3.6Å; R11-T14 WeakPolarHBondContact O-CA 3.31Å; R11-T14 WeakPolarHBondContact O-CB 3.19Å; R11-T14 PolarHBondContact O-N 3.31Å; R11-I15 HydrophobicContact CB-CD1 4.24Å; R11-I15 WeakPolarHBondContact O-CB 3.35Å; R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 WeakPolarHBondContact O-CG1 3.42Å; R11-I15 PolarHBondContact O-N 3.17Å; R11-D57 HydrophobicContact CB-CB 3.81Å; R11-D57 VanDerWaalsContact CD-OD2 3.25Å; R11-D57 WeakPolarHBondContact CD-OD2 3.36Å; R11-D57 IonicContact CZ-OD2 2.71Å; R11-D57 IonicContact NE-OD2 3.23Å; R11-D57 IonicContact NH1-OD2 3.4Å; R11-D57 PolarHBondContact NH1-OD2 3.48Å |
| 12 | R | 79.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 175.2 | -69 | 177.7 | 178.6 | -176 | -4.2 | 112.1 | V8 Y9 T14 I15 T16 Y40 E42 Y51 D53 Q54 H56 D57 | V8-R12 HydrophobicContact CG1-CG 4.45Å; V8-R12 WeakPolarHBondContact O-CG 3.46Å; V8-R12 PolarHBondContact O-N 2.97Å; Y9-R12 WeakPolarHBondContact O-CB 3.44Å; Y9-R12 PolarHBondContact O-N 2.98Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.31Å; R12-I15 PolarHBondContact O-N 3.13Å; R12-T16 WeakPolarHBondContact O-CB 3.34Å; R12-T16 WeakPolarHBondContact O-CG2 3.48Å; R12-T16 PolarHBondContact O-N 3.45Å; R12-T16 PolarHBondContact O-OG1 3.43Å; R12-Y40 VanDerWaalsContact NH1-CE1 3.3Å; R12-E42 VanDerWaalsContact CD-OE1 3.23Å; R12-E42 WeakPolarHBondContact CD-OE1 3.2Å; R12-E42 IonicContact CZ-OE1 2.91Å; R12-E42 IonicContact NE-OE1 3.3Å; R12-E42 IonicContact NH1-OE1 2.74Å; R12-E42 PolarHBondContact NH1-OE1 2.95Å; R12-Y51 HydrophobicContact CG-CE1 3.86Å; R12-Y51 VanDerWaalsContact NE-CE1 3.28Å; R12-D53 PolarHBondContact NH2-O 2.95Å; R12-Q54 PolarHBondContact NH2-O 2.95Å; R12-Q54 VanDerWaalsContact NH2-O 3.1Å; R12-H56 VanDerWaalsContact CZ-O 3.24Å; R12-H56 PolarHBondContact NE-O 3.01Å; R12-H56 PolarHBondContact NH2-O 3.27Å; R12-D57 VanDerWaalsContact CG-O 3.3Å; R12-D57 WeakPolarHBondContact CG-O 3.39Å |
| 13 | D | 75.8 | Confident | 76.6 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 173.8 | -58.3 | -21.5 | 0 | 0 | 0 | 111.6 | Y9 R11 A17 R44 | Y9-D13 PolarHBondContact O-N 3.27Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.03Å; D13-A17 WeakPolarHBondContact O-CA 3.13Å; D13-A17 PolarHBondContact O-N 3.31Å; D13-R44 IonicContact OD1-CZ 3.96Å; D13-R44 VanDerWaalsContact OD1-CZ 3.23Å; D13-R44 IonicContact OD1-NH1 2.62Å; D13-R44 PolarHBondContact OD1-NH1 3.02Å; D13-R44 IonicContact OD1-NH2 3.16Å; D13-R44 PolarHBondContact OD1-NH2 2.85Å |
| 14 | T | 75.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 55% | 0.546 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 176.4 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | K10 R11 R12 | K10-T14 PolarHBondContact O-N 3.34Å; K10-T14 VanDerWaalsContact O-N 3.12Å; K10-T14 PolarHBondContact O-OG1 2.86Å; R11-T14 CarbonylContact O-C 3.6Å; R11-T14 WeakPolarHBondContact O-CA 3.31Å; R11-T14 WeakPolarHBondContact O-CB 3.19Å; R11-T14 PolarHBondContact O-N 3.31Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.31Å |
| 15 | I | 74.5 | Confident | 80.9 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | -176.3 | -72 | 162 | 0 | 0 | 0 | 111.4 | R11 R12 D57 Y59 | R11-I15 HydrophobicContact CB-CD1 4.24Å; R11-I15 WeakPolarHBondContact O-CB 3.35Å; R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 WeakPolarHBondContact O-CG1 3.42Å; R11-I15 PolarHBondContact O-N 3.17Å; R12-I15 PolarHBondContact O-N 3.13Å; I15-D57 HydrophobicContact CD1-CB 4.27Å; I15-D57 WeakPolarHBondContact CD1-O 3.19Å; I15-Y59 HydrophobicContact CG2-CD1 4.49Å; I15-Y59 HydrophobicContact CG2-CE1 4.34Å |
| 16 | T | 81 | Confident | 82.5 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -88.4 | -23.8 | -177 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | R12 L18 R44 F49 | R12-T16 WeakPolarHBondContact O-CB 3.34Å; R12-T16 WeakPolarHBondContact O-CG2 3.48Å; R12-T16 PolarHBondContact O-N 3.45Å; R12-T16 PolarHBondContact O-OG1 3.43Å; T16-L18 WeakPolarHBondContact O-CG 3.24Å; T16-L18 PolarHBondContact O-N 3.22Å; T16-R44 WeakPolarHBondContact OG1-CD 3.41Å; T16-R44 PolarHBondContact OG1-NH1 3.4Å; T16-F49 HydrophobicContact CG2-CD1 3.95Å; T16-F49 HydrophobicContact CG2-CD2 4.06Å; T16-F49 HydrophobicContact CG2-CE1 3.84Å; T16-F49 HydrophobicContact CG2-CE2 3.98Å; T16-F49 HydrophobicContact CG2-CG 4.04Å; T16-F49 HydrophobicContact CG2-CZ 3.84Å |
| 17 | A | 83.3 | Confident | 83.9 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | trans | 50.4 | 24.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D13 | D13-A17 WeakPolarHBondContact O-CA 3.13Å; D13-A17 PolarHBondContact O-N 3.31Å | ||
| 18 | L | 86.6 | Confident | 85.1 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -127.8 | 140.8 | -175 | -73.6 | 170 | 0 | 0 | 0 | 110.4 | T16 R44 F49 | T16-L18 WeakPolarHBondContact O-CG 3.24Å; T16-L18 PolarHBondContact O-N 3.22Å; L18-R44 HydrophobicContact CB-CB 3.73Å; L18-R44 PolarHBondContact O-NH1 2.98Å; L18-R44 VanDerWaalsContact O-NH1 3.1Å; L18-F49 HydrophobicContact CD1-CE2 4.06Å; L18-F49 HydrophobicContact CD1-CZ 4.18Å |
| 19 | P | 88.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | trans | -63.7 | 142.7 | 178 | 28.3 | -36.2 | 0 | 0 | 0 | 111.3 | Y21 R44 G45 E139 | P19-Y21 HydrophobicContact CB-CD1 4.39Å; P19-Y21 HydrophobicContact CB-CE1 3.83Å; P19-Y21 HydrophobicContact CG-CD1 4.41Å; P19-Y21 HydrophobicContact CG-CE1 3.5Å; P19-Y21 VanDerWaalsContact CG-CE1 3.5Å; P19-Y21 WeakPolarHBondContact CG-OH 3.23Å; P19-R44 WeakPolarHBondContact O-CA 3.47Å; P19-R44 WeakPolarHBondContact O-CB 3.31Å; P19-G45 PolarHBondContact O-N 3.36Å; P19-E139 WeakPolarHBondContact CB-OE1 3.44Å; P19-E139 VanDerWaalsContact CG-OE1 3.25Å; P19-E139 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 20 | L | 93.9 | Very high | 87.2 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.8 | 177.7 | -179.1 | 64.5 | 0 | 0 | 0 | 110.7 | E42 R44 | L20-E42 HydrophobicContact CD1-CB 3.73Å; L20-E42 HydrophobicContact CD1-CG 4.06Å; L20-R44 HydrophobicContact CB-CG 4.47Å; L20-R44 HydrophobicContact CD1-CG 3.84Å |
| 21 | Y | 94.9 | Very high | 87.7 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -41.1 | -179.6 | -61.1 | -29.2 | 0 | 0 | 0 | 112.6 | P19 L43 G45 V114 V136 E139 E140 | P19-Y21 HydrophobicContact CB-CD1 4.39Å; P19-Y21 HydrophobicContact CB-CE1 3.83Å; P19-Y21 HydrophobicContact CG-CD1 4.41Å; P19-Y21 HydrophobicContact CG-CE1 3.5Å; P19-Y21 VanDerWaalsContact CG-CE1 3.5Å; P19-Y21 WeakPolarHBondContact CG-OH 3.23Å; Y21-L43 PolarHBondContact N-O 3.21Å; Y21-G45 WeakPolarHBondContact CD2-O 3.31Å; Y21-G45 WeakPolarHBondContact CE2-O 3.21Å; Y21-V114 HydrophobicContact CD2-CG1 3.88Å; Y21-V114 HydrophobicContact CE2-CG1 4.06Å; Y21-V136 HydrophobicContact CD1-CB 4.35Å; Y21-V136 HydrophobicContact CD1-CG1 3.94Å; Y21-V136 HydrophobicContact CD1-CG2 3.75Å; Y21-V136 HydrophobicContact CD2-CG1 3.6Å; Y21-V136 HydrophobicContact CE1-CG1 4.32Å; Y21-V136 HydrophobicContact CE2-CG1 3.99Å; Y21-V136 HydrophobicContact CG-CB 4.35Å; Y21-V136 HydrophobicContact CG-CG1 3.56Å; Y21-V136 HydrophobicContact CG-CG2 3.88Å; Y21-E139 HydrophobicContact CE1-CB 4.32Å; Y21-E139 HydrophobicContact CE1-CG 4.16Å; Y21-E140 HydrophobicContact CE2-CB 4.12Å; Y21-E140 WeakPolarHBondContact OH-CA 3.36Å; Y21-E140 PolarHBondContact OH-N 3.09Å; Y21-E140 PolarHBondContact OH-OE2 3.3Å |
| 22 | Y | 96.5 | Very high | 88 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 152.1 | -179.9 | -165.8 | -109.4 | 0 | 0 | 0 | 111.1 | L43 T103 E106 W107 F110 | Y22-L43 PolarHBondContact N-O 3.22Å; Y22-L43 PolarHBondContact O-N 2.97Å; Y22-T103 VanDerWaalsContact OH-CG2 3.24Å; Y22-T103 WeakPolarHBondContact OH-CG2 3.32Å; Y22-E106 HydrophobicContact CE1-CB 4.35Å; Y22-E106 HydrophobicContact CE2-CB 4.09Å; Y22-E106 WeakPolarHBondContact OH-CB 3.17Å; Y22-E106 PolarHBondContact OH-OE2 2.98Å; Y22-W107 AromaticContact CD1-CD2 3.63Å; Y22-W107 HydrophobicContact CD1-CD2 3.63Å; Y22-W107 AromaticContact CD1-CE2 3.69Å; Y22-W107 AromaticContact CD1-CE3 3.82Å; Y22-W107 HydrophobicContact CD1-CE3 3.82Å; Y22-W107 HydrophobicContact CD1-CG 4.14Å; Y22-W107 HydrophobicContact CD1-CH2 4.1Å; Y22-W107 AromaticContact CD1-CZ2 3.93Å; Y22-W107 HydrophobicContact CD1-CZ2 3.93Å; Y22-W107 HydrophobicContact CD1-CZ3 4.06Å; Y22-W107 AromaticContact CE1-CD1 3.68Å; Y22-W107 AromaticContact CE1-CD2 3.63Å; Y22-W107 HydrophobicContact CE1-CD2 3.63Å; Y22-W107 AromaticContact CE1-CE2 3.56Å; Y22-W107 HydrophobicContact CE1-CE3 4.29Å; Y22-W107 AromaticContact CE1-CG 3.71Å; Y22-W107 HydrophobicContact CE1-CG 3.71Å; Y22-W107 HydrophobicContact CE1-CZ2 4.15Å; Y22-W107 AromaticContact CE1-NE1 3.6Å; Y22-F110 HydrophobicContact CD1-CD2 4.08Å; Y22-F110 AromaticContact CD2-CD2 3.53Å; Y22-F110 HydrophobicContact CD2-CD2 3.53Å; Y22-F110 AromaticContact CD2-CE2 3.26Å; Y22-F110 HydrophobicContact CD2-CE2 3.26Å; Y22-F110 HydrophobicContact CD2-CG 4.44Å; Y22-F110 AromaticContact CD2-CZ 3.97Å; Y22-F110 HydrophobicContact CD2-CZ 3.97Å; Y22-F110 HydrophobicContact CE2-CD2 4.07Å; Y22-F110 AromaticContact CE2-CE2 3.72Å; Y22-F110 HydrophobicContact CE2-CE2 3.72Å; Y22-F110 AromaticContact CG-CD2 3.53Å; Y22-F110 HydrophobicContact CG-CD2 3.53Å; Y22-F110 AromaticContact CG-CE2 3.78Å; Y22-F110 HydrophobicContact CG-CE2 3.78Å; Y22-F110 HydrophobicContact CG-CG 4.13Å |
| 23 | S | 95.2 | Very high | 88.5 | Confident | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.3 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | Y40 G41 | S23-Y40 PolarHBondContact OG-OH 2.98Å; S23-G41 CarbonylContact C-O 3.59Å; S23-G41 WeakPolarHBondContact CA-O 3.42Å; S23-G41 WeakPolarHBondContact CB-O 3.12Å |
| 24 | G | 94.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G41 | G24-G41 PolarHBondContact N-O 3.22Å; G24-G41 PolarHBondContact O-N 3Å |
| 25 | H | 94.5 | Very high | 90 | Very high | 100 Ų | 100 | 56.3 Ų | 56.3 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.4 | 172.2 | -64.4 | -79.4 | 0 | 0 | 0 | 110.8 | Y40 | H25-Y40 AromaticContact CE1-CD2 3.76Å; H25-Y40 AromaticContact ND1-CD2 3.92Å; H25-Y40 AromaticContact NE2-CD2 3.94Å |
| 26 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157 | 174.5 | 65.6 | 100.1 | 0 | 0 | 0 | 108.7 | C39 L50 L96 V98 W107 | L26-C39 VanDerWaalsContact CD1-SG 3.52Å; L26-C39 PolarHBondContact N-O 3.34Å; L26-C39 PolarHBondContact O-N 3Å; L26-C39 PolarHBondContact O-SG 3.23Å; L26-L50 HydrophobicContact CD1-CD2 4.17Å; L26-L50 HydrophobicContact CD2-CD2 4.39Å; L26-L96 HydrophobicContact CD1-CB 4.42Å; L26-L96 HydrophobicContact CD1-CD1 4.25Å; L26-L96 HydrophobicContact CD1-CD2 3.82Å; L26-L96 HydrophobicContact CD1-CG 4.39Å; L26-V98 HydrophobicContact CB-CG2 4.24Å; L26-W107 HydrophobicContact CD2-CD2 4.43Å; L26-W107 HydrophobicContact CD2-CH2 3.83Å; L26-W107 HydrophobicContact CD2-CZ2 3.52Å; L26-W107 HydrophobicContact CD2-CZ3 4.38Å |
| 27 | L | 94.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.6 | 172.2 | -47.9 | 85 | 0 | 0 | 0 | 109.4 | F36 K37 L96 K97 D99 | L27-F36 HydrophobicContact CB-CB 3.86Å; L27-F36 HydrophobicContact CB-CD1 4.11Å; L27-F36 HydrophobicContact CB-CG 4.37Å; L27-F36 HydrophobicContact CD2-CB 3.97Å; L27-K37 CarbonylContact C-O 3.59Å; L27-K37 VanDerWaalsContact CA-O 3.22Å; L27-K37 WeakPolarHBondContact CA-O 3.46Å; L27-L96 CarbonylContact O-C 3.54Å; L27-L96 WeakPolarHBondContact O-CA 3.2Å; L27-K97 HydrophobicContact CB-CB 4.32Å; L27-K97 HydrophobicContact CD1-CD 4.48Å; L27-K97 HydrophobicContact CD1-CG 4.21Å; L27-K97 PolarHBondContact N-O 3.03Å; L27-K97 PolarHBondContact O-N 3.28Å; L27-D99 WeakPolarHBondContact CD1-OD2 3.38Å |
| 28 | K | 94.6 | Very high | 92 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 155.1 | 177.6 | 74.2 | -176.4 | -163.3 | 175 | 0 | 111.3 | F36 K37 L50 E61 V94 Q95 L96 | K28-F36 WeakPolarHBondContact O-CA 3.35Å; K28-K37 HydrophobicContact CG-CB 4.48Å; K28-K37 PolarHBondContact N-O 3.44Å; K28-K37 PolarHBondContact O-N 2.98Å; K28-L50 HydrophobicContact CD-CD1 3.85Å; K28-E61 IonicContact NZ-OE1 3.57Å; K28-E61 PolarHBondContact NZ-OE1 3.07Å; K28-E61 IonicContact NZ-OE2 2.94Å; K28-E61 PolarHBondContact NZ-OE2 2.92Å; K28-V94 HydrophobicContact CB-CG2 4.46Å; K28-Q95 CarbonylContact C-O 3.44Å; K28-Q95 WeakPolarHBondContact CA-O 3.45Å; K28-L96 HydrophobicContact CB-CD2 3.62Å |
| 29 | K | 94.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 129.7 | 173.7 | -171.9 | -169.3 | 72.9 | -178.2 | 0 | 110.1 | E33 F36 Q95 | K29-E33 WeakPolarHBondContact CA-OE2 3.29Å; K29-E33 WeakPolarHBondContact CD-O 3.49Å; K29-E33 HydrophobicContact CG-CB 3.72Å; K29-F36 HydrophobicContact CB-CD1 3.57Å; K29-F36 HydrophobicContact CB-CD2 4.49Å; K29-F36 HydrophobicContact CB-CE1 3.68Å; K29-F36 HydrophobicContact CB-CG 4Å; K29-F36 HydrophobicContact CB-CZ 4.21Å; K29-F36 HydrophobicContact CD-CD2 4.18Å; K29-F36 HydrophobicContact CD-CE2 4.11Å; K29-F36 HydrophobicContact CD-CG 4.46Å; K29-F36 HydrophobicContact CD-CZ 4.32Å; K29-Q95 PolarHBondContact N-O 3.48Å; K29-Q95 PolarHBondContact O-N 3.19Å |
| 30 | Y | 92.2 | Very high | 92.6 | Very high | 46 Ų | 46 | 60 Ų | 60 | 18% | 0.18 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 158.4 | 174.6 | -82.1 | -72.3 | 0 | 0 | 0 | 113.3 | G32 E33 E61 E92 E93 V94 | Y30-G32 PolarHBondContact O-N 2.65Å; Y30-G32 VanDerWaalsContact O-N 3.11Å; Y30-E33 PolarHBondContact N-OE2 3.21Å; Y30-E33 WeakPolarHBondContact O-CB 3.5Å; Y30-E33 PolarHBondContact O-N 2.86Å; Y30-E61 WeakPolarHBondContact CE2-OE2 3.35Å; Y30-E61 PolarHBondContact OH-OE1 3.24Å; Y30-E92 HydrophobicContact CE1-CB 4.32Å; Y30-E92 HydrophobicContact CE1-CG 4.23Å; Y30-E92 WeakPolarHBondContact CE1-OE2 3.19Å; Y30-E92 VanDerWaalsContact CZ-OE2 3.28Å; Y30-E92 PolarHBondContact OH-OE2 2.86Å; Y30-E93 WeakPolarHBondContact CD1-O 3.5Å; Y30-V94 HydrophobicContact CD1-CB 4.04Å; Y30-V94 HydrophobicContact CD1-CG2 4.21Å; Y30-V94 HydrophobicContact CE1-CB 3.89Å; Y30-V94 HydrophobicContact CE1-CG2 4.11Å |
| 31 | T | 83.6 | Confident | 92.7 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 64% | 0.644 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 114.4 | 170.6 | -60 | 0 | 0 | 0 | 0 | 110.7 | E93 | T31-E93 PolarHBondContact N-O 3.38Å; T31-E93 PolarHBondContact OG1-O 2.88Å |
| 32 | G | 80.2 | Confident | 92.8 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 83% | 0.825 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.8 | -14.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y30 | Y30-G32 PolarHBondContact O-N 2.65Å; Y30-G32 VanDerWaalsContact O-N 3.11Å |
| 33 | E | 90.2 | Very high | 92.8 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | trans | -78.3 | 142.3 | 169.7 | -63.4 | -171.5 | 133.6 | 0 | 0 | 111.1 | K29 Y30 K37 | K29-E33 WeakPolarHBondContact CA-OE2 3.29Å; K29-E33 WeakPolarHBondContact CD-O 3.49Å; K29-E33 HydrophobicContact CG-CB 3.72Å; Y30-E33 PolarHBondContact N-OE2 3.21Å; Y30-E33 WeakPolarHBondContact O-CB 3.5Å; Y30-E33 PolarHBondContact O-N 2.86Å; E33-K37 WeakPolarHBondContact OE1-CE 3.4Å; E33-K37 IonicContact OE1-NZ 3.04Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å | ||
| 34 | K | 87.8 | Confident | 92.7 | Very high | 191 Ų | 191 | 52.6 Ų | 52.6 | 83% | 0.83 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -79.3 | -45.8 | 178.5 | -66.5 | -174.5 | 178.5 | -178.2 | 0 | 112.1 | ||
| 35 | D | 92.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -117.4 | 146.4 | -166.6 | -57.3 | -64.4 | 0 | 0 | 0 | 111.8 | ||
| 36 | F | 94.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 25% | 0.254 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 130.7 | 174 | -80.9 | -86.9 | 0 | 0 | 0 | 111 | L27 K28 K29 I84 Q95 K97 | L27-F36 HydrophobicContact CB-CB 3.86Å; L27-F36 HydrophobicContact CB-CD1 4.11Å; L27-F36 HydrophobicContact CB-CG 4.37Å; L27-F36 HydrophobicContact CD2-CB 3.97Å; K28-F36 WeakPolarHBondContact O-CA 3.35Å; K29-F36 HydrophobicContact CB-CD1 3.57Å; K29-F36 HydrophobicContact CB-CD2 4.49Å; K29-F36 HydrophobicContact CB-CE1 3.68Å; K29-F36 HydrophobicContact CB-CG 4Å; K29-F36 HydrophobicContact CB-CZ 4.21Å; K29-F36 HydrophobicContact CD-CD2 4.18Å; K29-F36 HydrophobicContact CD-CE2 4.11Å; K29-F36 HydrophobicContact CD-CG 4.46Å; K29-F36 HydrophobicContact CD-CZ 4.32Å; F36-I84 HydrophobicContact CZ-CD1 4.46Å; F36-I84 HydrophobicContact CZ-CG2 4.19Å; F36-Q95 HydrophobicContact CE1-CB 3.99Å; F36-Q95 HydrophobicContact CZ-CB 4.13Å; F36-K97 HydrophobicContact CD1-CB 3.86Å; F36-K97 HydrophobicContact CD2-CD 4.39Å; F36-K97 HydrophobicContact CE1-CB 3.66Å; F36-K97 HydrophobicContact CE2-CD 4.46Å; F36-K97 HydrophobicContact CG-CD 4.43Å; F36-K97 HydrophobicContact CZ-CB 4.19Å |
| 37 | K | 93.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 48 Ų | 48 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.1 | 177.2 | -67.1 | 170.2 | 178.4 | 170.8 | 0 | 110.3 | L27 K28 E33 | L27-K37 CarbonylContact C-O 3.59Å; L27-K37 VanDerWaalsContact CA-O 3.22Å; L27-K37 WeakPolarHBondContact CA-O 3.46Å; K28-K37 HydrophobicContact CG-CB 4.48Å; K28-K37 PolarHBondContact N-O 3.44Å; K28-K37 PolarHBondContact O-N 2.98Å; E33-K37 WeakPolarHBondContact OE1-CE 3.4Å; E33-K37 IonicContact OE1-NZ 3.04Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å |
| 38 | N | 94.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 141 | 174.3 | -170 | 25 | 0 | 0 | 0 | 110.8 | ||
| 39 | C | 93.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163.3 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | L26 Y51 | L26-C39 VanDerWaalsContact CD1-SG 3.52Å; L26-C39 PolarHBondContact N-O 3.34Å; L26-C39 PolarHBondContact O-N 3Å; L26-C39 PolarHBondContact O-SG 3.23Å; C39-Y51 WeakPolarHBondContact CA-O 3.22Å; C39-Y51 VanDerWaalsContact CB-O 3.31Å; C39-Y51 WeakPolarHBondContact CB-O 3.41Å |
| 40 | Y | 94.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.8 | 168.2 | -172.4 | -97 | 0 | 0 | 0 | 108.4 | Y9 R12 S23 H25 E42 Y51 Q54 | Y9-Y40 PolarHBondContact OH-OH 3.01Å; Y9-Y40 VanDerWaalsContact OH-OH 3.05Å; R12-Y40 VanDerWaalsContact NH1-CE1 3.3Å; S23-Y40 PolarHBondContact OG-OH 2.98Å; H25-Y40 AromaticContact CE1-CD2 3.76Å; H25-Y40 AromaticContact ND1-CD2 3.92Å; H25-Y40 AromaticContact NE2-CD2 3.94Å; Y40-E42 HydrophobicContact CD1-CG 4.1Å; Y40-E42 HydrophobicContact CE1-CG 3.7Å; Y40-Y51 HydrophobicContact CD1-CD2 4.42Å; Y40-Y51 PolarHBondContact N-O 3.19Å; Y40-Y51 WeakPolarHBondContact O-CD2 3.37Å; Y40-Y51 PolarHBondContact O-N 2.9Å; Y40-Q54 HydrophobicContact CD2-CB 4.36Å; Y40-Q54 HydrophobicContact CE1-CG 4.46Å; Y40-Q54 HydrophobicContact CE2-CG 4.26Å; Y40-Q54 HydrophobicContact CG-CB 4.43Å |
| 41 | G | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S23 G24 F49 | S23-G41 CarbonylContact C-O 3.59Å; S23-G41 WeakPolarHBondContact CA-O 3.42Å; S23-G41 WeakPolarHBondContact CB-O 3.12Å; G24-G41 PolarHBondContact N-O 3.22Å; G24-G41 PolarHBondContact O-N 3Å; G41-F49 WeakPolarHBondContact CA-O 3.39Å |
| 42 | E | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 117.6 | 166.8 | -65.4 | -169.1 | 176.2 | 0 | 0 | 109.3 | R12 L20 Y40 R44 F49 Y51 | R12-E42 VanDerWaalsContact CD-OE1 3.23Å; R12-E42 WeakPolarHBondContact CD-OE1 3.2Å; R12-E42 IonicContact CZ-OE1 2.91Å; R12-E42 IonicContact NE-OE1 3.3Å; R12-E42 IonicContact NH1-OE1 2.74Å; R12-E42 PolarHBondContact NH1-OE1 2.95Å; L20-E42 HydrophobicContact CD1-CB 3.73Å; L20-E42 HydrophobicContact CD1-CG 4.06Å; Y40-E42 HydrophobicContact CD1-CG 4.1Å; Y40-E42 HydrophobicContact CE1-CG 3.7Å; E42-R44 HydrophobicContact CB-CG 4.3Å; E42-R44 IonicContact OE2-CZ 3.69Å; E42-R44 IonicContact OE2-NE 3.16Å; E42-R44 PolarHBondContact OE2-NE 2.74Å; E42-R44 IonicContact OE2-NH2 3.18Å; E42-R44 PolarHBondContact OE2-NH2 3.49Å; E42-F49 PolarHBondContact N-O 3.45Å; E42-F49 PolarHBondContact O-N 3.21Å; E42-Y51 HydrophobicContact CB-CE2 4.12Å; E42-Y51 HydrophobicContact CG-CD2 4.41Å; E42-Y51 HydrophobicContact CG-CE2 3.91Å |
| 43 | L | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.3 | 169.8 | -175.3 | 71.3 | 0 | 0 | 0 | 108.9 | Y21 Y22 I48 L65 W107 F110 V114 | Y21-L43 PolarHBondContact N-O 3.21Å; Y22-L43 PolarHBondContact N-O 3.22Å; Y22-L43 PolarHBondContact O-N 2.97Å; L43-I48 HydrophobicContact CD1-CG1 3.7Å; L43-L65 HydrophobicContact CD1-CD1 3.62Å; L43-W107 HydrophobicContact CB-CZ3 4.08Å; L43-F110 HydrophobicContact CD2-CB 3.69Å; L43-V114 HydrophobicContact CD1-CG2 4.04Å; L43-V114 HydrophobicContact CD2-CG1 4.22Å; L43-V114 HydrophobicContact CD2-CG2 4.08Å; L43-V114 HydrophobicContact CG-CG2 4.49Å |
| 44 | R | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.8 | 178.6 | -54.5 | 177.2 | 168 | -106.5 | 0.7 | 110.5 | D13 T16 L18 P19 L20 E42 S46 T47 F49 | D13-R44 IonicContact OD1-CZ 3.96Å; D13-R44 VanDerWaalsContact OD1-CZ 3.23Å; D13-R44 IonicContact OD1-NH1 2.62Å; D13-R44 PolarHBondContact OD1-NH1 3.02Å; D13-R44 IonicContact OD1-NH2 3.16Å; D13-R44 PolarHBondContact OD1-NH2 2.85Å; T16-R44 WeakPolarHBondContact OG1-CD 3.41Å; T16-R44 PolarHBondContact OG1-NH1 3.4Å; L18-R44 HydrophobicContact CB-CB 3.73Å; L18-R44 PolarHBondContact O-NH1 2.98Å; L18-R44 VanDerWaalsContact O-NH1 3.1Å; P19-R44 WeakPolarHBondContact O-CA 3.47Å; P19-R44 WeakPolarHBondContact O-CB 3.31Å; L20-R44 HydrophobicContact CB-CG 4.47Å; L20-R44 HydrophobicContact CD1-CG 3.84Å; E42-R44 HydrophobicContact CB-CG 4.3Å; E42-R44 IonicContact OE2-CZ 3.69Å; E42-R44 IonicContact OE2-NE 3.16Å; E42-R44 PolarHBondContact OE2-NE 2.74Å; E42-R44 IonicContact OE2-NH2 3.18Å; E42-R44 PolarHBondContact OE2-NH2 3.49Å; R44-S46 PolarHBondContact O-N 2.92Å; R44-T47 PolarHBondContact N-O 2.86Å; R44-T47 PolarHBondContact O-N 3.08Å; R44-T47 VanDerWaalsContact O-O 3.08Å; R44-F49 HydrophobicContact CB-CD2 3.96Å; R44-F49 HydrophobicContact CB-CE2 3.89Å; R44-F49 HydrophobicContact CG-CD2 4.15Å; R44-F49 HydrophobicContact CG-CE2 4.5Å |
| 45 | G | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -131.3 | -169 | 0 | 0 | 0 | 0 | 0 | 111.2 | P19 Y21 T47 E140 | P19-G45 PolarHBondContact O-N 3.36Å; Y21-G45 WeakPolarHBondContact CD2-O 3.31Å; Y21-G45 WeakPolarHBondContact CE2-O 3.21Å; G45-T47 VanDerWaalsContact C-N 3.35Å; G45-E140 WeakPolarHBondContact CA-OE2 3.08Å |
| 46 | S | 91 | Very high | 91 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 18.9 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | R44 L65 Q66 | R44-S46 PolarHBondContact O-N 2.92Å; S46-L65 WeakPolarHBondContact O-CA 3.2Å; S46-L65 WeakPolarHBondContact O-CB 3.24Å; S46-L65 WeakPolarHBondContact O-CG 3.28Å; S46-L65 PolarHBondContact O-N 3.29Å; S46-Q66 WeakPolarHBondContact OG-CG 3.21Å; S46-Q66 PolarHBondContact OG-NE2 2.84Å |
| 47 | T | 94.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.3 | -169.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | R44 G45 F49 K62 L63 | R44-T47 PolarHBondContact N-O 2.86Å; R44-T47 PolarHBondContact O-N 3.08Å; R44-T47 VanDerWaalsContact O-O 3.08Å; G45-T47 VanDerWaalsContact C-N 3.35Å; T47-F49 HydrophobicContact CG2-CD1 4.46Å; T47-F49 HydrophobicContact CG2-CD2 4.06Å; T47-F49 HydrophobicContact CG2-CE1 4.12Å; T47-F49 HydrophobicContact CG2-CE2 3.65Å; T47-F49 HydrophobicContact CG2-CG 4.47Å; T47-F49 HydrophobicContact CG2-CZ 3.71Å; T47-K62 HydrophobicContact CG2-CB 3.92Å; T47-K62 HydrophobicContact CG2-CD 4.49Å; T47-L63 WeakPolarHBondContact CA-O 3.35Å |
| 48 | I | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.1 | 167.8 | -51.4 | 173.1 | 0 | 0 | 0 | 108.2 | L43 L50 K62 L63 L65 L87 L96 I111 | L43-I48 HydrophobicContact CD1-CG1 3.7Å; I48-L50 HydrophobicContact CG2-CD2 3.7Å; I48-L50 HydrophobicContact CG2-CG 4.13Å; I48-K62 CarbonylContact O-C 3.57Å; I48-K62 VanDerWaalsContact O-CA 3.25Å; I48-K62 WeakPolarHBondContact O-CA 3.47Å; I48-L63 HydrophobicContact CB-CB 4.28Å; I48-L63 HydrophobicContact CD1-CD1 4.41Å; I48-L63 PolarHBondContact N-O 3.47Å; I48-L63 PolarHBondContact O-N 3.46Å; I48-L65 HydrophobicContact CD1-CD1 4.34Å; I48-L65 HydrophobicContact CD1-CD2 3.99Å; I48-L65 HydrophobicContact CG1-CD1 4Å; I48-L65 HydrophobicContact CG1-CD2 4.22Å; I48-L65 HydrophobicContact CG1-CG 4.26Å; I48-L87 HydrophobicContact CD1-CD1 4.34Å; I48-L96 HydrophobicContact CD1-CD1 4.07Å; I48-I111 HydrophobicContact CD1-CD1 3.75Å; I48-I111 HydrophobicContact CD1-CG1 3.93Å |
| 49 | F | 95 | Very high | 89.2 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.3 | 171.6 | -65.7 | -87.1 | 0 | 0 | 0 | 109.6 | T16 L18 G41 E42 R44 T47 Y51 Y59 K62 | T16-F49 HydrophobicContact CG2-CD1 3.95Å; T16-F49 HydrophobicContact CG2-CD2 4.06Å; T16-F49 HydrophobicContact CG2-CE1 3.84Å; T16-F49 HydrophobicContact CG2-CE2 3.98Å; T16-F49 HydrophobicContact CG2-CG 4.04Å; T16-F49 HydrophobicContact CG2-CZ 3.84Å; L18-F49 HydrophobicContact CD1-CE2 4.06Å; L18-F49 HydrophobicContact CD1-CZ 4.18Å; G41-F49 WeakPolarHBondContact CA-O 3.39Å; E42-F49 PolarHBondContact N-O 3.45Å; E42-F49 PolarHBondContact O-N 3.21Å; R44-F49 HydrophobicContact CB-CD2 3.96Å; R44-F49 HydrophobicContact CB-CE2 3.89Å; R44-F49 HydrophobicContact CG-CD2 4.15Å; R44-F49 HydrophobicContact CG-CE2 4.5Å; T47-F49 HydrophobicContact CG2-CD1 4.46Å; T47-F49 HydrophobicContact CG2-CD2 4.06Å; T47-F49 HydrophobicContact CG2-CE1 4.12Å; T47-F49 HydrophobicContact CG2-CE2 3.65Å; T47-F49 HydrophobicContact CG2-CG 4.47Å; T47-F49 HydrophobicContact CG2-CZ 3.71Å; F49-Y51 HydrophobicContact CB-CE2 3.81Å; F49-Y59 AromaticContact CD1-CD1 3.41Å; F49-Y59 HydrophobicContact CD1-CD1 3.41Å; F49-Y59 VanDerWaalsContact CD1-CD1 3.41Å; F49-Y59 HydrophobicContact CD1-CD2 4.2Å; F49-Y59 AromaticContact CD1-CE1 3.67Å; F49-Y59 HydrophobicContact CD1-CE1 3.67Å; F49-Y59 HydrophobicContact CD1-CE2 4.44Å; F49-Y59 AromaticContact CD1-CG 3.71Å; F49-Y59 HydrophobicContact CD1-CG 3.71Å; F49-Y59 AromaticContact CE1-CD1 3.9Å; F49-Y59 HydrophobicContact CE1-CD1 3.9Å; F49-Y59 AromaticContact CE1-CE1 3.65Å; F49-Y59 HydrophobicContact CE1-CE1 3.65Å; F49-Y59 HydrophobicContact CE1-CG 4.5Å; F49-Y59 HydrophobicContact CG-CD1 4.43Å; F49-K62 HydrophobicContact CD1-CB 4.05Å; F49-K62 HydrophobicContact CE1-CB 4.26Å; F49-K62 HydrophobicContact CE1-CD 4.36Å |
| 50 | L | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.4 | -172.5 | -62.6 | 172.3 | 0 | 0 | 0 | 110.3 | L26 K28 I48 S60 E61 L63 | L26-L50 HydrophobicContact CD1-CD2 4.17Å; L26-L50 HydrophobicContact CD2-CD2 4.39Å; K28-L50 HydrophobicContact CD-CD1 3.85Å; I48-L50 HydrophobicContact CG2-CD2 3.7Å; I48-L50 HydrophobicContact CG2-CG 4.13Å; L50-S60 PolarHBondContact O-N 3.13Å; L50-E61 HydrophobicContact CB-CB 4.26Å; L50-E61 VanDerWaalsContact CD1-OE1 3.29Å; L50-E61 WeakPolarHBondContact CD1-OE1 3.42Å; L50-E61 PolarHBondContact N-O 3.44Å; L50-E61 PolarHBondContact O-N 3.32Å; L50-L63 HydrophobicContact CD1-CD1 3.85Å; L50-L63 HydrophobicContact CD1-CG 3.93Å |
| 51 | Y | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.6 | -178.6 | -56.8 | -98.6 | 0 | 0 | 0 | 109.9 | R12 C39 Y40 E42 F49 D53 H56 T58 Y59 | R12-Y51 HydrophobicContact CG-CE1 3.86Å; R12-Y51 VanDerWaalsContact NE-CE1 3.28Å; C39-Y51 WeakPolarHBondContact CA-O 3.22Å; C39-Y51 VanDerWaalsContact CB-O 3.31Å; C39-Y51 WeakPolarHBondContact CB-O 3.41Å; Y40-Y51 HydrophobicContact CD1-CD2 4.42Å; Y40-Y51 PolarHBondContact N-O 3.19Å; Y40-Y51 WeakPolarHBondContact O-CD2 3.37Å; Y40-Y51 PolarHBondContact O-N 2.9Å; E42-Y51 HydrophobicContact CB-CE2 4.12Å; E42-Y51 HydrophobicContact CG-CD2 4.41Å; E42-Y51 HydrophobicContact CG-CE2 3.91Å; F49-Y51 HydrophobicContact CB-CE2 3.81Å; Y51-D53 PolarHBondContact O-N 3.38Å; Y51-H56 WeakPolarHBondContact CD1-O 3.43Å; Y51-T58 WeakPolarHBondContact CD1-O 3.19Å; Y51-Y59 VanDerWaalsContact CE1-N 3.34Å |
| 52 | T | 88.4 | Confident | 88.7 | Confident | 85 Ų | 85 | 41.1 Ų | 41.1 | 52% | 0.521 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -57.8 | -38.2 | 169.5 | 40.2 | 0 | 0 | 0 | 0 | 112.2 | H56 | T52-H56 PolarHBondContact OG1-CE1 3Å; T52-H56 PolarHBondContact OG1-ND1 2.89Å |
| 53 | D | 80 | Confident | 88.5 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -156.3 | 162.9 | 177.6 | -179.1 | 37.6 | 0 | 0 | 0 | 111.6 | R12 Y51 M55 H56 | R12-D53 PolarHBondContact NH2-O 2.95Å; Y51-D53 PolarHBondContact O-N 3.38Å; D53-M55 PolarHBondContact O-N 3.13Å; D53-M55 VanDerWaalsContact O-N 3.15Å; D53-M55 VanDerWaalsContact OD2-CG 3.3Å; D53-M55 WeakPolarHBondContact OD2-CG 3.3Å; D53-M55 PolarHBondContact OD2-N 3.39Å; D53-H56 PolarHBondContact O-N 2.98Å |
| 54 | Q | 80.9 | Confident | 88.3 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22 | 177 | -166.1 | -177 | 3.4 | 0 | 0 | 113.3 | Y9 R12 Y40 | Y9-Q54 PolarHBondContact OH-NE2 3.02Å; R12-Q54 PolarHBondContact NH2-O 2.95Å; R12-Q54 VanDerWaalsContact NH2-O 3.1Å; Y40-Q54 HydrophobicContact CD2-CB 4.36Å; Y40-Q54 HydrophobicContact CE1-CG 4.46Å; Y40-Q54 HydrophobicContact CE2-CG 4.26Å; Y40-Q54 HydrophobicContact CG-CB 4.43Å |
| 55 | M | 78.1 | Confident | 88.2 | Confident | 89 Ų | 89 | 43.9 Ų | 43.9 | 44% | 0.438 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.4 | -177.3 | -57.5 | -61.2 | 163.3 | 0 | 0 | 115.2 | D53 | D53-M55 PolarHBondContact O-N 3.13Å; D53-M55 VanDerWaalsContact O-N 3.15Å; D53-M55 VanDerWaalsContact OD2-CG 3.3Å; D53-M55 WeakPolarHBondContact OD2-CG 3.3Å; D53-M55 PolarHBondContact OD2-N 3.39Å |
| 56 | H | 77.1 | Confident | 87.9 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | trans | -91.4 | 129.2 | -178.2 | -66.7 | 75.3 | 0 | 0 | 0 | 111.3 | V8 R12 Y51 T52 D53 | V8-H56 WeakPolarHBondContact CG1-O 3.44Å; R12-H56 VanDerWaalsContact CZ-O 3.24Å; R12-H56 PolarHBondContact NE-O 3.01Å; R12-H56 PolarHBondContact NH2-O 3.27Å; Y51-H56 WeakPolarHBondContact CD1-O 3.43Å; T52-H56 PolarHBondContact OG1-CE1 3Å; T52-H56 PolarHBondContact OG1-ND1 2.89Å; D53-H56 PolarHBondContact O-N 2.98Å | ||
| 57 | D | 76.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -74.2 | -30.6 | 177.2 | 53.9 | 13.7 | 0 | 0 | 0 | 113.3 | V8 R11 R12 I15 | V8-D57 HydrophobicContact CG1-CB 4.42Å; R11-D57 HydrophobicContact CB-CB 3.81Å; R11-D57 VanDerWaalsContact CD-OD2 3.25Å; R11-D57 WeakPolarHBondContact CD-OD2 3.36Å; R11-D57 IonicContact CZ-OD2 2.71Å; R11-D57 IonicContact NE-OD2 3.23Å; R11-D57 IonicContact NH1-OD2 3.4Å; R11-D57 PolarHBondContact NH1-OD2 3.48Å; R12-D57 VanDerWaalsContact CG-O 3.3Å; R12-D57 WeakPolarHBondContact CG-O 3.39Å; I15-D57 HydrophobicContact CD1-CB 4.27Å; I15-D57 WeakPolarHBondContact CD1-O 3.19Å |
| 58 | T | 81 | Confident | 87.4 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 49% | 0.485 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -99.5 | 135.7 | -178.5 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | Y51 | Y51-T58 WeakPolarHBondContact CD1-O 3.19Š|
| 59 | Y | 87.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | trans | -74.6 | 148.8 | 176.4 | 62.9 | -95.7 | 0 | 0 | 0 | 110.8 | I15 F49 Y51 E61 K62 | I15-Y59 HydrophobicContact CG2-CD1 4.49Å; I15-Y59 HydrophobicContact CG2-CE1 4.34Å; F49-Y59 AromaticContact CD1-CD1 3.41Å; F49-Y59 HydrophobicContact CD1-CD1 3.41Å; F49-Y59 VanDerWaalsContact CD1-CD1 3.41Å; F49-Y59 HydrophobicContact CD1-CD2 4.2Å; F49-Y59 AromaticContact CD1-CE1 3.67Å; F49-Y59 HydrophobicContact CD1-CE1 3.67Å; F49-Y59 HydrophobicContact CD1-CE2 4.44Å; F49-Y59 AromaticContact CD1-CG 3.71Å; F49-Y59 HydrophobicContact CD1-CG 3.71Å; F49-Y59 AromaticContact CE1-CD1 3.9Å; F49-Y59 HydrophobicContact CE1-CD1 3.9Å; F49-Y59 AromaticContact CE1-CE1 3.65Å; F49-Y59 HydrophobicContact CE1-CE1 3.65Å; F49-Y59 HydrophobicContact CE1-CG 4.5Å; F49-Y59 HydrophobicContact CG-CD1 4.43Å; Y51-Y59 VanDerWaalsContact CE1-N 3.34Å; Y59-E61 WeakPolarHBondContact CD2-O 3.28Å; Y59-K62 HydrophobicContact CD2-CB 4.36Å; Y59-K62 HydrophobicContact CE2-CB 4.19Å; Y59-K62 HydrophobicContact CE2-CD 4.2Å; Y59-K62 HydrophobicContact CE2-CG 4.26Å | ||
| 60 | S | 89.9 | Confident | 87 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -90.4 | -24.8 | 176.9 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | L50 | L50-S60 PolarHBondContact O-N 3.13Š|
| 61 | E | 90.3 | Very high | 86.9 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 160.3 | -178.8 | -169.4 | 179.9 | 88.9 | 0 | 0 | 109.8 | K28 Y30 L50 Y59 | K28-E61 IonicContact NZ-OE1 3.57Å; K28-E61 PolarHBondContact NZ-OE1 3.07Å; K28-E61 IonicContact NZ-OE2 2.94Å; K28-E61 PolarHBondContact NZ-OE2 2.92Å; Y30-E61 WeakPolarHBondContact CE2-OE2 3.35Å; Y30-E61 PolarHBondContact OH-OE1 3.24Å; L50-E61 HydrophobicContact CB-CB 4.26Å; L50-E61 VanDerWaalsContact CD1-OE1 3.29Å; L50-E61 WeakPolarHBondContact CD1-OE1 3.42Å; L50-E61 PolarHBondContact N-O 3.44Å; L50-E61 PolarHBondContact O-N 3.32Å; Y59-E61 WeakPolarHBondContact CD2-O 3.28Å |
| 62 | K | 92.8 | Very high | 86.8 | Confident | 118 Ų | 118 | 68.2 Ų | 68.2 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.9 | 172.8 | 65.7 | 178 | -176.3 | 175.8 | 0 | 110.5 | T47 I48 F49 Y59 | T47-K62 HydrophobicContact CG2-CB 3.92Å; T47-K62 HydrophobicContact CG2-CD 4.49Å; I48-K62 CarbonylContact O-C 3.57Å; I48-K62 VanDerWaalsContact O-CA 3.25Å; I48-K62 WeakPolarHBondContact O-CA 3.47Å; F49-K62 HydrophobicContact CD1-CB 4.05Å; F49-K62 HydrophobicContact CE1-CB 4.26Å; F49-K62 HydrophobicContact CE1-CD 4.36Å; Y59-K62 HydrophobicContact CD2-CB 4.36Å; Y59-K62 HydrophobicContact CE2-CB 4.19Å; Y59-K62 HydrophobicContact CE2-CD 4.2Å; Y59-K62 HydrophobicContact CE2-CG 4.26Å |
| 63 | L | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.7 | 174.9 | -54 | 174.1 | 0 | 0 | 0 | 108.5 | T47 I48 L50 L65 L87 V94 L96 | T47-L63 WeakPolarHBondContact CA-O 3.35Å; I48-L63 HydrophobicContact CB-CB 4.28Å; I48-L63 HydrophobicContact CD1-CD1 4.41Å; I48-L63 PolarHBondContact N-O 3.47Å; I48-L63 PolarHBondContact O-N 3.46Å; L50-L63 HydrophobicContact CD1-CD1 3.85Å; L50-L63 HydrophobicContact CD1-CG 3.93Å; L63-L65 PolarHBondContact O-N 2.87Å; L63-L87 HydrophobicContact CD1-CD1 4.43Å; L63-V94 HydrophobicContact CD1-CG1 3.79Å; L63-V94 HydrophobicContact CD2-CG1 4.1Å; L63-L96 HydrophobicContact CD1-CD1 4.42Å; L63-L96 HydrophobicContact CD1-CD2 4.43Å |
| 64 | D | 91.4 | Very high | 86.7 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 107.7 | 179.6 | -174.9 | -5.7 | 0 | 0 | 0 | 110.8 | Q66 M67 L89 | D64-Q66 PolarHBondContact O-N 3.43Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.4Å; D64-Q66 WeakPolarHBondContact OD1-CG 3.32Å; D64-Q66 PolarHBondContact OD1-N 2.98Å; D64-M67 PolarHBondContact O-N 3.21Å; D64-M67 VanDerWaalsContact O-N 3.09Å; D64-L89 VanDerWaalsContact O-CD2 3.3Å; D64-L89 WeakPolarHBondContact O-CD2 3.49Å |
| 65 | L | 91.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -73.6 | -9.9 | -176.5 | -53.6 | 175.8 | 0 | 0 | 0 | 113.1 | L43 S46 I48 L63 M67 L68 I111 V114 A115 | L43-L65 HydrophobicContact CD1-CD1 3.62Å; S46-L65 WeakPolarHBondContact O-CA 3.2Å; S46-L65 WeakPolarHBondContact O-CB 3.24Å; S46-L65 WeakPolarHBondContact O-CG 3.28Å; S46-L65 PolarHBondContact O-N 3.29Å; I48-L65 HydrophobicContact CD1-CD1 4.34Å; I48-L65 HydrophobicContact CD1-CD2 3.99Å; I48-L65 HydrophobicContact CG1-CD1 4Å; I48-L65 HydrophobicContact CG1-CD2 4.22Å; I48-L65 HydrophobicContact CG1-CG 4.26Å; L63-L65 PolarHBondContact O-N 2.87Å; L65-M67 PolarHBondContact O-N 3.09Å; L65-L68 HydrophobicContact CD2-CD2 4.48Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-I111 HydrophobicContact CD1-CB 4.45Å; L65-I111 HydrophobicContact CD1-CG1 4.49Å; L65-I111 HydrophobicContact CD1-CG2 3.98Å; L65-I111 HydrophobicContact CD2-CG2 4.11Å; L65-V114 HydrophobicContact CD1-CG2 3.59Å; L65-A115 HydrophobicContact CB-CB 4.11Å |
| 66 | Q | 86 | Confident | 86.1 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -66.3 | -24.4 | 168.1 | -57.5 | -171.3 | 29.6 | 0 | 0 | 111.8 | S46 D64 | S46-Q66 WeakPolarHBondContact OG-CG 3.21Å; S46-Q66 PolarHBondContact OG-NE2 2.84Å; D64-Q66 PolarHBondContact O-N 3.43Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.4Å; D64-Q66 WeakPolarHBondContact OD1-CG 3.32Å; D64-Q66 PolarHBondContact OD1-N 2.98Å |
| 67 | M | 84.6 | Confident | 85.8 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -90.1 | 1.6 | 177.1 | -62.5 | -176.8 | 62.8 | 0 | 0 | 113.1 | D64 L65 K69 L89 S90 N91 | D64-M67 PolarHBondContact O-N 3.21Å; D64-M67 VanDerWaalsContact O-N 3.09Å; L65-M67 PolarHBondContact O-N 3.09Å; M67-K69 PolarHBondContact O-N 3.38Å; M67-L89 CarbonylContact O-C 3.45Å; M67-L89 WeakPolarHBondContact O-CA 3.44Å; M67-S90 PolarHBondContact O-N 3.1Å; M67-S90 PolarHBondContact O-OG 2.58Å; M67-N91 HydrophobicContact CE-CB 4.26Å |
| 68 | L | 90.2 | Very high | 85.6 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 118.2 | -178.2 | -172.7 | 68 | 0 | 0 | 0 | 111.3 | L65 S70 M71 L87 L89 A115 | L65-L68 HydrophobicContact CD2-CD2 4.48Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 PolarHBondContact O-N 2.93Å; L68-S70 WeakPolarHBondContact CD1-O 3.43Å; L68-M71 HydrophobicContact CD2-CB 4.46Å; L68-L87 HydrophobicContact CD1-CB 3.86Å; L68-L87 HydrophobicContact CD1-CD2 3.64Å; L68-L87 HydrophobicContact CD1-CG 4.35Å; L68-L87 HydrophobicContact CD2-CD2 4.03Å; L68-L89 HydrophobicContact CD1-CG 4.28Å; L68-A115 HydrophobicContact CD2-CB 3.79Å |
| 69 | K | 90.5 | Very high | 85 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -39.5 | 176.3 | -68.2 | 171.7 | 173 | 162 | 0 | 112.1 | M67 T88 S90 | M67-K69 PolarHBondContact O-N 3.38Å; K69-T88 WeakPolarHBondContact CB-O 3.4Å; K69-T88 PolarHBondContact N-O 2.93Å; K69-S90 VanDerWaalsContact CE-OG 3.31Å; K69-S90 WeakPolarHBondContact CE-OG 3.39Å |
| 70 | S | 92 | Very high | 84.3 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 151.5 | -179.7 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | L68 T88 | L68-S70 WeakPolarHBondContact CD1-O 3.43Å; S70-T88 PolarHBondContact N-O 3Å; S70-T88 PolarHBondContact O-N 3.31Å; S70-T88 WeakPolarHBondContact OG-CB 3.35Å; S70-T88 PolarHBondContact OG-OG1 2.96Å |
| 71 | M | 92.7 | Very high | 83.9 | Confident | 39 Ų | 39 | 79 Ų | 79 | 19% | 0.192 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.7 | 171.7 | -176.6 | -180 | -163 | 0 | 0 | 108.3 | L68 Y85 T86 L87 R108 I111 M112 | L68-M71 HydrophobicContact CD2-CB 4.46Å; M71-Y85 HydrophobicContact CE-CD1 4.02Å; M71-Y85 HydrophobicContact CE-CD2 3.2Å; M71-Y85 HydrophobicContact CE-CE1 4.24Å; M71-Y85 HydrophobicContact CE-CE2 3.42Å; M71-Y85 VanDerWaalsContact CE-CE2 3.42Å; M71-Y85 HydrophobicContact CE-CG 3.54Å; M71-T86 WeakPolarHBondContact CA-O 3.38Å; M71-L87 HydrophobicContact CB-CD2 4.07Å; M71-L87 HydrophobicContact CE-CD2 4.07Å; M71-L87 HydrophobicContact CG-CD2 3.73Å; M71-L87 HydrophobicContact SD-CD2 4.02Å; M71-R108 HydrophobicContact CE-CB 4.3Å; M71-R108 HydrophobicContact CE-CG 4.16Å; M71-R108 HydrophobicContact SD-CG 4.46Å; M71-I111 HydrophobicContact CE-CB 4.21Å; M71-I111 HydrophobicContact CE-CD1 4.26Å; M71-I111 HydrophobicContact CE-CG2 3.96Å; M71-I111 HydrophobicContact SD-CG2 3.92Å; M71-M112 HydrophobicContact SD-CG 3.52Å; M71-M112 VanDerWaalsContact SD-CG 3.52Å; M71-M112 HydrophobicContact SD-SD 4.36Å |
| 72 | V | 90.5 | Very high | 83.7 | Confident | 84 Ų | 84 | 79 Ų | 79 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | -176.7 | -177.5 | 0 | 0 | 0 | 0 | 109 | Y85 T86 | V72-Y85 CarbonylContact O-C 3.56Å; V72-Y85 WeakPolarHBondContact O-CA 3.17Å; V72-Y85 WeakPolarHBondContact O-CB 3.42Å; V72-T86 PolarHBondContact N-O 3.15Å; V72-T86 PolarHBondContact O-N 2.82Å |
| 73 | M | 87.4 | Confident | 83.6 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.9 | 171.9 | -64.6 | 177.1 | 67.5 | 0 | 0 | 109.9 | A75 T83 R108 | M73-A75 WeakPolarHBondContact CB-O 3.5Å; M73-A75 PolarHBondContact O-N 2.98Å; M73-T83 HydrophobicContact CE-CG2 3.8Å; M73-R108 VanDerWaalsContact SD-CD 3.59Å |
| 74 | D | 79.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -64.8 | -24.6 | -179.6 | -70.1 | 23.5 | 0 | 0 | 0 | 112 | I84 T86 Q95 | D74-I84 HydrophobicContact CB-CB 4.22Å; D74-I84 HydrophobicContact CB-CG2 4.3Å; D74-I84 PolarHBondContact N-O 3.42Å; D74-I84 WeakPolarHBondContact OD2-CG2 3.27Å; D74-T86 PolarHBondContact OD1-OG1 2.89Å; D74-Q95 PolarHBondContact OD1-NE2 3.26Å; D74-Q95 PolarHBondContact OD2-NE2 2.9Å |
| 75 | A | 74.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 73 Ų | 73 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -147.3 | 155.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M73 | M73-A75 WeakPolarHBondContact CB-O 3.5Å; M73-A75 PolarHBondContact O-N 2.98Å |
| 76 | P | 71.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 70% | 0.695 | 38% | 0.378 | S | S | * | . | trans | -56.8 | 151.1 | 171.4 | -22.7 | 33.4 | 0 | 0 | 0 | 112 | Q78 | P76-Q78 PolarHBondContact O-N 3.48Š| ||
| 77 | Y | 70.4 | Confident | 84.3 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | trans | -53.1 | 128.9 | 178.3 | 177 | -98.6 | 0 | 0 | 0 | 112.5 | K79 P101 E105 Q124 | Y77-K79 HydrophobicContact CE1-CB 4.45Å; Y77-P101 HydrophobicContact CE2-CB 3.68Å; Y77-P101 WeakPolarHBondContact CE2-O 3.33Å; Y77-E105 HydrophobicContact CD2-CG 3.4Å; Y77-E105 HydrophobicContact CE2-CB 4.41Å; Y77-E105 HydrophobicContact CE2-CG 3.4Å; Y77-E105 HydrophobicContact CG-CG 4.24Å; Y77-Q124 HydrophobicContact CD1-CG 4.3Å; Y77-Q124 HydrophobicContact CE1-CB 4.44Å | ||
| 78 | Q | 71.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | trans | -135.7 | 122.4 | 176.2 | -70 | -179.6 | 14.6 | 0 | 0 | 109.6 | P76 N80 R81 | P76-Q78 PolarHBondContact O-N 3.48Å; Q78-N80 PolarHBondContact O-N 2.99Å; Q78-R81 HydrophobicContact CB-CB 4.33Å; Q78-R81 HydrophobicContact CB-CG 4.46Å; Q78-R81 PolarHBondContact O-N 2.94Å; Q78-R81 VanDerWaalsContact O-N 3.13Å; Q78-R81 VanDerWaalsContact OE1-CD 3.23Å | ||
| 79 | K | 68.6 | Low | 84.8 | Confident | 151 Ų | 151 | 64.8 Ų | 64.8 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -10.8 | -174.3 | -165 | 172.1 | -179.1 | 178 | 0 | 115.5 | Y77 P101 | Y77-K79 HydrophobicContact CE1-CB 4.45Å; K79-P101 WeakPolarHBondContact O-CG 3.49Å |
| 80 | N | 73.9 | Confident | 84.5 | Confident | 156 Ų | 156 | 60.7 Ų | 60.7 | 83% | 0.834 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 18.3 | -177.1 | -61 | -7.4 | 0 | 0 | 0 | 113.4 | Q78 | Q78-N80 PolarHBondContact O-N 2.99Š|
| 81 | R | 81.1 | Confident | 84.1 | Confident | 169 Ų | 169 | 63.1 Ų | 63.1 | 64% | 0.638 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -132.2 | 153.8 | 175.8 | -68.5 | -164.9 | 179.3 | -170.4 | -1.4 | 111.6 | Q78 T83 P101 | Q78-R81 HydrophobicContact CB-CB 4.33Å; Q78-R81 HydrophobicContact CB-CG 4.46Å; Q78-R81 PolarHBondContact O-N 2.94Å; Q78-R81 VanDerWaalsContact O-N 3.13Å; Q78-R81 VanDerWaalsContact OE1-CD 3.23Å; R81-T83 PolarHBondContact O-N 2.89Å; R81-P101 WeakPolarHBondContact O-CB 3.46Å |
| 82 | S | 86 | Confident | 83.8 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | trans | -58.5 | 133.2 | 168.9 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | K97 V98 | S82-K97 WeakPolarHBondContact OG-CE 3.31Å; S82-V98 CarbonylContact C-O 3.59Å; S82-V98 WeakPolarHBondContact CA-O 3.25Å; S82-V98 WeakPolarHBondContact CB-O 2.98Å | ||
| 83 | T | 90.3 | Very high | 83.9 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.2 | 172.2 | -47.6 | 0 | 0 | 0 | 0 | 108.6 | M73 R81 Y85 K97 V98 | M73-T83 HydrophobicContact CE-CG2 3.8Å; R81-T83 PolarHBondContact O-N 2.89Å; T83-Y85 HydrophobicContact CG2-CD1 3.87Å; T83-Y85 HydrophobicContact CG2-CE1 4.12Å; T83-K97 CarbonylContact O-C 3.48Å; T83-K97 WeakPolarHBondContact O-CA 3.29Å; T83-V98 PolarHBondContact N-O 3.46Å; T83-V98 PolarHBondContact O-N 2.79Å |
| 84 | I | 93.4 | Very high | 84.2 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130 | 172.5 | -53.4 | 178.3 | 0 | 0 | 0 | 107.6 | F36 D74 L96 K97 | F36-I84 HydrophobicContact CZ-CD1 4.46Å; F36-I84 HydrophobicContact CZ-CG2 4.19Å; D74-I84 HydrophobicContact CB-CB 4.22Å; D74-I84 HydrophobicContact CB-CG2 4.3Å; D74-I84 PolarHBondContact N-O 3.42Å; D74-I84 WeakPolarHBondContact OD2-CG2 3.27Å; I84-L96 WeakPolarHBondContact CA-O 3.2Å; I84-K97 HydrophobicContact CD1-CD 4.08Å; I84-K97 HydrophobicContact CD1-CG 4.35Å; I84-K97 HydrophobicContact CG1-CB 4.01Å; I84-K97 HydrophobicContact CG1-CD 4.16Å; I84-K97 HydrophobicContact CG1-CG 3.87Å |
| 85 | Y | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.6 | 173 | 44.1 | -100.2 | 0 | 0 | 0 | 110.9 | M71 V72 T83 L87 L96 W107 I111 | M71-Y85 HydrophobicContact CE-CD1 4.02Å; M71-Y85 HydrophobicContact CE-CD2 3.2Å; M71-Y85 HydrophobicContact CE-CE1 4.24Å; M71-Y85 HydrophobicContact CE-CE2 3.42Å; M71-Y85 VanDerWaalsContact CE-CE2 3.42Å; M71-Y85 HydrophobicContact CE-CG 3.54Å; V72-Y85 CarbonylContact O-C 3.56Å; V72-Y85 WeakPolarHBondContact O-CA 3.17Å; V72-Y85 WeakPolarHBondContact O-CB 3.42Å; T83-Y85 HydrophobicContact CG2-CD1 3.87Å; T83-Y85 HydrophobicContact CG2-CE1 4.12Å; Y85-L87 HydrophobicContact CD2-CG 4.44Å; Y85-L96 HydrophobicContact CD2-CB 4.09Å; Y85-L96 HydrophobicContact CE2-CB 3.57Å; Y85-L96 HydrophobicContact CE2-CD1 4.1Å; Y85-L96 HydrophobicContact CE2-CG 4.25Å; Y85-L96 PolarHBondContact N-O 3.41Å; Y85-L96 PolarHBondContact O-N 3.06Å; Y85-W107 VanDerWaalsContact OH-CB 3.28Å; Y85-W107 WeakPolarHBondContact OH-CB 3.42Å; Y85-I111 HydrophobicContact CE2-CD1 3.99Å |
| 86 | T | 94.6 | Very high | 86 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.2 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 108.4 | M71 V72 D74 E93 Q95 | M71-T86 WeakPolarHBondContact CA-O 3.38Å; V72-T86 PolarHBondContact N-O 3.15Å; V72-T86 PolarHBondContact O-N 2.82Å; D74-T86 PolarHBondContact OD1-OG1 2.89Å; T86-E93 VanDerWaalsContact CG2-CD 3.47Å; T86-E93 HydrophobicContact CG2-CG 3.49Å; T86-E93 VanDerWaalsContact CG2-CG 3.49Å; T86-Q95 HydrophobicContact CG2-CG 4.31Å; T86-Q95 PolarHBondContact OG1-NE2 3.43Å |
| 87 | L | 95.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.5 | 173.4 | -66.2 | 170.5 | 0 | 0 | 0 | 108.1 | I48 L63 L68 M71 Y85 L89 E93 V94 L96 I111 | I48-L87 HydrophobicContact CD1-CD1 4.34Å; L63-L87 HydrophobicContact CD1-CD1 4.43Å; L68-L87 HydrophobicContact CD1-CB 3.86Å; L68-L87 HydrophobicContact CD1-CD2 3.64Å; L68-L87 HydrophobicContact CD1-CG 4.35Å; L68-L87 HydrophobicContact CD2-CD2 4.03Å; M71-L87 HydrophobicContact CB-CD2 4.07Å; M71-L87 HydrophobicContact CE-CD2 4.07Å; M71-L87 HydrophobicContact CG-CD2 3.73Å; M71-L87 HydrophobicContact SD-CD2 4.02Å; Y85-L87 HydrophobicContact CD2-CG 4.44Å; L87-L89 HydrophobicContact CB-CD1 4.13Å; L87-E93 WeakPolarHBondContact O-CA 3.36Å; L87-V94 HydrophobicContact CB-CG1 3.92Å; L87-V94 HydrophobicContact CD1-CG1 4.27Å; L87-V94 PolarHBondContact N-O 3.31Å; L87-V94 PolarHBondContact O-N 2.91Å; L87-L96 HydrophobicContact CD1-CD1 3.58Å; L87-L96 HydrophobicContact CD1-CG 3.96Å; L87-I111 HydrophobicContact CD2-CG2 4.03Å |
| 88 | T | 94.2 | Very high | 88.3 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 102.2 | 173.9 | -46.6 | 0 | 0 | 0 | 0 | 108.1 | K69 S70 E93 | K69-T88 WeakPolarHBondContact CB-O 3.4Å; K69-T88 PolarHBondContact N-O 2.93Å; S70-T88 PolarHBondContact N-O 3Å; S70-T88 PolarHBondContact O-N 3.31Å; S70-T88 WeakPolarHBondContact OG-CB 3.35Å; S70-T88 PolarHBondContact OG-OG1 2.96Å; T88-E93 WeakPolarHBondContact CB-OE2 3.36Å; T88-E93 WeakPolarHBondContact CG2-OE2 3.39Å; T88-E93 PolarHBondContact OG1-OE2 3.16Å |
| 89 | L | 90.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 179.1 | 174.3 | -58.9 | 99.3 | 0 | 0 | 0 | 110.3 | D64 M67 L68 L87 N91 E92 V94 | D64-L89 VanDerWaalsContact O-CD2 3.3Å; D64-L89 WeakPolarHBondContact O-CD2 3.49Å; M67-L89 CarbonylContact O-C 3.45Å; M67-L89 WeakPolarHBondContact O-CA 3.44Å; L68-L89 HydrophobicContact CD1-CG 4.28Å; L87-L89 HydrophobicContact CB-CD1 4.13Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 WeakPolarHBondContact CB-OD1 3.34Å; L89-N91 PolarHBondContact O-N 2.87Å; L89-E92 CarbonylContact C-O 3.59Å; L89-E92 WeakPolarHBondContact CA-O 3.49Å; L89-E92 HydrophobicContact CB-CG 4.2Å; L89-E92 WeakPolarHBondContact CB-O 3.41Å; L89-E92 HydrophobicContact CD1-CG 3.87Å; L89-E92 PolarHBondContact N-O 3.01Å; L89-V94 HydrophobicContact CD1-CG1 3.87Å |
| 90 | S | 84.3 | Confident | 90.4 | Very high | 59 Ų | 59 | 48 Ų | 48 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -74.6 | -23.7 | -176.7 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | M67 K69 | M67-S90 PolarHBondContact O-N 3.1Å; M67-S90 PolarHBondContact O-OG 2.58Å; K69-S90 VanDerWaalsContact CE-OG 3.31Å; K69-S90 WeakPolarHBondContact CE-OG 3.39Å |
| 91 | N | 82.9 | Confident | 91.1 | Very high | 102 Ų | 102 | 41.1 Ų | 41.1 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -112.8 | -29.1 | -175.3 | 60 | -49.2 | 0 | 0 | 0 | 113.6 | M67 L89 | M67-N91 HydrophobicContact CE-CB 4.26Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 WeakPolarHBondContact CB-OD1 3.34Å; L89-N91 PolarHBondContact O-N 2.87Å |
| 92 | E | 87.5 | Confident | 91.6 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | trans | -147.7 | 162.8 | -170.5 | 70.9 | -159.7 | 121.8 | 0 | 0 | 111.8 | Y30 L89 | Y30-E92 HydrophobicContact CE1-CB 4.32Å; Y30-E92 HydrophobicContact CE1-CG 4.23Å; Y30-E92 WeakPolarHBondContact CE1-OE2 3.19Å; Y30-E92 VanDerWaalsContact CZ-OE2 3.28Å; Y30-E92 PolarHBondContact OH-OE2 2.86Å; L89-E92 CarbonylContact C-O 3.59Å; L89-E92 WeakPolarHBondContact CA-O 3.49Å; L89-E92 HydrophobicContact CB-CG 4.2Å; L89-E92 WeakPolarHBondContact CB-O 3.41Å; L89-E92 HydrophobicContact CD1-CG 3.87Å; L89-E92 PolarHBondContact N-O 3.01Å | ||
| 93 | E | 92.8 | Very high | 91.9 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.4 | 170.5 | -178.7 | 166.9 | 97.9 | 0 | 0 | 109.7 | Y30 T31 T86 L87 T88 | Y30-E93 WeakPolarHBondContact CD1-O 3.5Å; T31-E93 PolarHBondContact N-O 3.38Å; T31-E93 PolarHBondContact OG1-O 2.88Å; T86-E93 VanDerWaalsContact CG2-CD 3.47Å; T86-E93 HydrophobicContact CG2-CG 3.49Å; T86-E93 VanDerWaalsContact CG2-CG 3.49Å; L87-E93 WeakPolarHBondContact O-CA 3.36Å; T88-E93 WeakPolarHBondContact CB-OE2 3.36Å; T88-E93 WeakPolarHBondContact CG2-OE2 3.39Å; T88-E93 PolarHBondContact OG1-OE2 3.16Å |
| 94 | V | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.2 | -174.4 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | K28 Y30 L63 L87 L89 L96 | K28-V94 HydrophobicContact CB-CG2 4.46Å; Y30-V94 HydrophobicContact CD1-CB 4.04Å; Y30-V94 HydrophobicContact CD1-CG2 4.21Å; Y30-V94 HydrophobicContact CE1-CB 3.89Å; Y30-V94 HydrophobicContact CE1-CG2 4.11Å; L63-V94 HydrophobicContact CD1-CG1 3.79Å; L63-V94 HydrophobicContact CD2-CG1 4.1Å; L87-V94 HydrophobicContact CB-CG1 3.92Å; L87-V94 HydrophobicContact CD1-CG1 4.27Å; L87-V94 PolarHBondContact N-O 3.31Å; L87-V94 PolarHBondContact O-N 2.91Å; L89-V94 HydrophobicContact CD1-CG1 3.87Å; V94-L96 HydrophobicContact CG2-CD2 4.02Å |
| 95 | Q | 95.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127 | 171.7 | -57.2 | -156.4 | -65.5 | 0 | 0 | 109.6 | K28 K29 F36 D74 T86 | K28-Q95 CarbonylContact C-O 3.44Å; K28-Q95 WeakPolarHBondContact CA-O 3.45Å; K29-Q95 PolarHBondContact N-O 3.48Å; K29-Q95 PolarHBondContact O-N 3.19Å; F36-Q95 HydrophobicContact CE1-CB 3.99Å; F36-Q95 HydrophobicContact CZ-CB 4.13Å; D74-Q95 PolarHBondContact OD1-NE2 3.26Å; D74-Q95 PolarHBondContact OD2-NE2 2.9Å; T86-Q95 HydrophobicContact CG2-CG 4.31Å; T86-Q95 PolarHBondContact OG1-NE2 3.43Å |
| 96 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.2 | 169.8 | -55.2 | -171.8 | 0 | 0 | 0 | 109.6 | L26 L27 K28 I48 L63 I84 Y85 L87 V94 | L26-L96 HydrophobicContact CD1-CB 4.42Å; L26-L96 HydrophobicContact CD1-CD1 4.25Å; L26-L96 HydrophobicContact CD1-CD2 3.82Å; L26-L96 HydrophobicContact CD1-CG 4.39Å; L27-L96 CarbonylContact O-C 3.54Å; L27-L96 WeakPolarHBondContact O-CA 3.2Å; K28-L96 HydrophobicContact CB-CD2 3.62Å; I48-L96 HydrophobicContact CD1-CD1 4.07Å; L63-L96 HydrophobicContact CD1-CD1 4.42Å; L63-L96 HydrophobicContact CD1-CD2 4.43Å; I84-L96 WeakPolarHBondContact CA-O 3.2Å; Y85-L96 HydrophobicContact CD2-CB 4.09Å; Y85-L96 HydrophobicContact CE2-CB 3.57Å; Y85-L96 HydrophobicContact CE2-CD1 4.1Å; Y85-L96 HydrophobicContact CE2-CG 4.25Å; Y85-L96 PolarHBondContact N-O 3.41Å; Y85-L96 PolarHBondContact O-N 3.06Å; L87-L96 HydrophobicContact CD1-CD1 3.58Å; L87-L96 HydrophobicContact CD1-CG 3.96Å; V94-L96 HydrophobicContact CG2-CD2 4.02Å |
| 97 | K | 95.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.6 | 179.5 | 172.6 | 175.4 | 178.9 | -111.7 | 0 | 109.8 | L27 F36 S82 T83 I84 D99 | L27-K97 HydrophobicContact CB-CB 4.32Å; L27-K97 HydrophobicContact CD1-CD 4.48Å; L27-K97 HydrophobicContact CD1-CG 4.21Å; L27-K97 PolarHBondContact N-O 3.03Å; L27-K97 PolarHBondContact O-N 3.28Å; F36-K97 HydrophobicContact CD1-CB 3.86Å; F36-K97 HydrophobicContact CD2-CD 4.39Å; F36-K97 HydrophobicContact CE1-CB 3.66Å; F36-K97 HydrophobicContact CE2-CD 4.46Å; F36-K97 HydrophobicContact CG-CD 4.43Å; F36-K97 HydrophobicContact CZ-CB 4.19Å; S82-K97 WeakPolarHBondContact OG-CE 3.31Å; T83-K97 CarbonylContact O-C 3.48Å; T83-K97 WeakPolarHBondContact O-CA 3.29Å; I84-K97 HydrophobicContact CD1-CD 4.08Å; I84-K97 HydrophobicContact CD1-CG 4.35Å; I84-K97 HydrophobicContact CG1-CB 4.01Å; I84-K97 HydrophobicContact CG1-CD 4.16Å; I84-K97 HydrophobicContact CG1-CG 3.87Å; K97-D99 WeakPolarHBondContact CE-OD1 3.44Å; K97-D99 IonicContact NZ-OD1 3.32Å; K97-D99 PolarHBondContact NZ-OD1 3.31Å; K97-D99 IonicContact NZ-OD2 2.72Å |
| 98 | V | 95 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.1 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | L26 S82 T83 T103 W107 | L26-V98 HydrophobicContact CB-CG2 4.24Å; S82-V98 CarbonylContact C-O 3.59Å; S82-V98 WeakPolarHBondContact CA-O 3.25Å; S82-V98 WeakPolarHBondContact CB-O 2.98Å; T83-V98 PolarHBondContact N-O 3.46Å; T83-V98 PolarHBondContact O-N 2.79Å; V98-T103 HydrophobicContact CG1-CG2 4.26Å; V98-W107 HydrophobicContact CG2-CB 4.5Å; V98-W107 HydrophobicContact CG2-CG 4.24Å |
| 99 | D | 91 | Very high | 92.3 | Very high | 95 Ų | 95 | 34.9 Ų | 34.9 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -70.8 | -32.3 | -172.9 | -73 | -43.2 | 0 | 0 | 0 | 113.6 | L27 K97 | L27-D99 WeakPolarHBondContact CD1-OD2 3.38Å; K97-D99 WeakPolarHBondContact CE-OD1 3.44Å; K97-D99 IonicContact NZ-OD1 3.32Å; K97-D99 PolarHBondContact NZ-OD1 3.31Å; K97-D99 IonicContact NZ-OD2 2.72Å |
| 100 | N | 91.4 | Very high | 92.6 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -89 | 119.1 | 173.7 | -175 | -36.1 | 0 | 0 | 0 | 110.2 | N102 T103 G104 | N100-N102 PolarHBondContact O-N 3.01Å; N100-N102 PolarHBondContact OD1-N 3.25Å; N100-N102 PolarHBondContact OD1-ND2 2.96Å; N100-T103 WeakPolarHBondContact CB-OG1 3.47Å; N100-T103 VanDerWaalsContact CG-OG1 3.3Å; N100-T103 PolarHBondContact O-N 2.84Å; N100-G104 PolarHBondContact O-N 3.43Å |
| 101 | P | 89.8 | Confident | 93.2 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -34.1 | -176.7 | 16.7 | -25.2 | 0 | 0 | 0 | 114 | Y77 K79 R81 G104 E105 | Y77-P101 HydrophobicContact CE2-CB 3.68Å; Y77-P101 WeakPolarHBondContact CE2-O 3.33Å; K79-P101 WeakPolarHBondContact O-CG 3.49Å; R81-P101 WeakPolarHBondContact O-CB 3.46Å; P101-G104 PolarHBondContact O-N 3.49Å; P101-E105 PolarHBondContact O-N 2.99Å |
| 102 | N | 90.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 29.1 Ų | 29.1 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 178.8 | -49.2 | -71.6 | 0 | 0 | 0 | 110.4 | N100 G104 E105 E106 | N100-N102 PolarHBondContact O-N 3.01Å; N100-N102 PolarHBondContact OD1-N 3.25Å; N100-N102 PolarHBondContact OD1-ND2 2.96Å; N102-G104 VanDerWaalsContact C-N 3.29Å; N102-E105 PolarHBondContact O-N 3.14Å; N102-E106 PolarHBondContact O-N 3.31Å |
| 103 | T | 93 | Very high | 94.1 | Very high | 38 Ų | 38 | 26.7 Ų | 26.7 | 23% | 0.233 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -31.4 | 174 | -41 | 0 | 0 | 0 | 0 | 111.4 | Y22 V98 N100 E106 W107 | Y22-T103 VanDerWaalsContact OH-CG2 3.24Å; Y22-T103 WeakPolarHBondContact OH-CG2 3.32Å; V98-T103 HydrophobicContact CG1-CG2 4.26Å; N100-T103 WeakPolarHBondContact CB-OG1 3.47Å; N100-T103 VanDerWaalsContact CG-OG1 3.3Å; N100-T103 PolarHBondContact O-N 2.84Å; T103-E106 PolarHBondContact O-N 2.91Å; T103-W107 VanDerWaalsContact O-CD1 3.32Å; T103-W107 PolarHBondContact O-N 3.48Å |
| 104 | G | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N100 P101 N102 R108 | N100-G104 PolarHBondContact O-N 3.43Å; P101-G104 PolarHBondContact O-N 3.49Å; N102-G104 VanDerWaalsContact C-N 3.29Å; G104-R108 VanDerWaalsContact O-CB 3.29Å; G104-R108 WeakPolarHBondContact O-CB 3.37Å; G104-R108 PolarHBondContact O-N 3.32Å |
| 105 | E | 92.7 | Very high | 94 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.6 | -33.6 | 171.2 | -82.9 | -74.5 | 110.7 | 0 | 0 | 112.4 | Y77 P101 N102 R108 G109 Q124 L125 | Y77-E105 HydrophobicContact CD2-CG 3.4Å; Y77-E105 HydrophobicContact CE2-CB 4.41Å; Y77-E105 HydrophobicContact CE2-CG 3.4Å; Y77-E105 HydrophobicContact CG-CG 4.24Å; P101-E105 PolarHBondContact O-N 2.99Å; N102-E105 PolarHBondContact O-N 3.14Å; E105-R108 WeakPolarHBondContact OE1-CD 3.2Å; E105-R108 IonicContact OE1-CZ 3.89Å; E105-R108 IonicContact OE1-NH1 3Å; E105-R108 PolarHBondContact OE1-NH1 3.15Å; E105-R108 IonicContact OE2-NH1 3.34Å; E105-R108 PolarHBondContact OE2-NH1 3.08Å; E105-G109 PolarHBondContact O-N 3.32Å; E105-Q124 HydrophobicContact CG-CB 4.41Å; E105-Q124 PolarHBondContact OE2-N 3.44Å; E105-L125 HydrophobicContact CB-CD2 4.02Å |
| 106 | E | 95.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -55.3 | 170.8 | -76.1 | -172.3 | 139.2 | 0 | 0 | 110.3 | Y22 N102 T103 R108 G109 F110 L125 Q129 R132 | Y22-E106 HydrophobicContact CE1-CB 4.35Å; Y22-E106 HydrophobicContact CE2-CB 4.09Å; Y22-E106 WeakPolarHBondContact OH-CB 3.17Å; Y22-E106 PolarHBondContact OH-OE2 2.98Å; N102-E106 PolarHBondContact O-N 3.31Å; T103-E106 PolarHBondContact O-N 2.91Å; E106-R108 VanDerWaalsContact C-N 3.29Å; E106-R108 PolarHBondContact O-N 2.88Å; E106-G109 PolarHBondContact O-N 2.86Å; E106-G109 VanDerWaalsContact O-N 3.08Å; E106-F110 HydrophobicContact CB-CD2 4.43Å; E106-F110 HydrophobicContact CB-CE2 4.46Å; E106-F110 WeakPolarHBondContact O-CD2 3.18Å; E106-F110 PolarHBondContact O-N 2.77Å; E106-L125 HydrophobicContact CB-CD2 4.49Å; E106-L125 HydrophobicContact CG-CD2 3.83Å; E106-Q129 WeakPolarHBondContact OE1-CG 3.25Å; E106-Q129 PolarHBondContact OE1-NE2 3.33Å; E106-R132 IonicContact OE1-NH1 3.27Å |
| 107 | W | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53 | -46.4 | 175.7 | -89.3 | 114.6 | 0 | 0 | 0 | 112.2 | Y22 L26 L43 Y85 V98 T103 F110 I111 | Y22-W107 AromaticContact CD1-CD2 3.63Å; Y22-W107 HydrophobicContact CD1-CD2 3.63Å; Y22-W107 AromaticContact CD1-CE2 3.69Å; Y22-W107 AromaticContact CD1-CE3 3.82Å; Y22-W107 HydrophobicContact CD1-CE3 3.82Å; Y22-W107 HydrophobicContact CD1-CG 4.14Å; Y22-W107 HydrophobicContact CD1-CH2 4.1Å; Y22-W107 AromaticContact CD1-CZ2 3.93Å; Y22-W107 HydrophobicContact CD1-CZ2 3.93Å; Y22-W107 HydrophobicContact CD1-CZ3 4.06Å; Y22-W107 AromaticContact CE1-CD1 3.68Å; Y22-W107 AromaticContact CE1-CD2 3.63Å; Y22-W107 HydrophobicContact CE1-CD2 3.63Å; Y22-W107 AromaticContact CE1-CE2 3.56Å; Y22-W107 HydrophobicContact CE1-CE3 4.29Å; Y22-W107 AromaticContact CE1-CG 3.71Å; Y22-W107 HydrophobicContact CE1-CG 3.71Å; Y22-W107 HydrophobicContact CE1-CZ2 4.15Å; Y22-W107 AromaticContact CE1-NE1 3.6Å; L26-W107 HydrophobicContact CD2-CD2 4.43Å; L26-W107 HydrophobicContact CD2-CH2 3.83Å; L26-W107 HydrophobicContact CD2-CZ2 3.52Å; L26-W107 HydrophobicContact CD2-CZ3 4.38Å; L43-W107 HydrophobicContact CB-CZ3 4.08Å; Y85-W107 VanDerWaalsContact OH-CB 3.28Å; Y85-W107 WeakPolarHBondContact OH-CB 3.42Å; V98-W107 HydrophobicContact CG2-CB 4.5Å; V98-W107 HydrophobicContact CG2-CG 4.24Å; T103-W107 VanDerWaalsContact O-CD1 3.32Å; T103-W107 PolarHBondContact O-N 3.48Å; W107-F110 PolarHBondContact O-N 2.95Å; W107-I111 HydrophobicContact CE3-CD1 3.95Å; W107-I111 HydrophobicContact CE3-CG1 4.2Å; W107-I111 VanDerWaalsContact O-CB 3.3Å; W107-I111 WeakPolarHBondContact O-CB 3.49Å; W107-I111 WeakPolarHBondContact O-CD1 3.43Å; W107-I111 WeakPolarHBondContact O-CG1 3.39Å; W107-I111 PolarHBondContact O-N 3.23Å |
| 108 | R | 94.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 176.6 | 178.3 | 175.6 | 164.7 | -95.3 | -18.6 | 111.7 | M71 M73 G104 E105 E106 M112 K122 | M71-R108 HydrophobicContact CE-CB 4.3Å; M71-R108 HydrophobicContact CE-CG 4.16Å; M71-R108 HydrophobicContact SD-CG 4.46Å; M73-R108 VanDerWaalsContact SD-CD 3.59Å; G104-R108 VanDerWaalsContact O-CB 3.29Å; G104-R108 WeakPolarHBondContact O-CB 3.37Å; G104-R108 PolarHBondContact O-N 3.32Å; E105-R108 WeakPolarHBondContact OE1-CD 3.2Å; E105-R108 IonicContact OE1-CZ 3.89Å; E105-R108 IonicContact OE1-NH1 3Å; E105-R108 PolarHBondContact OE1-NH1 3.15Å; E105-R108 IonicContact OE2-NH1 3.34Å; E105-R108 PolarHBondContact OE2-NH1 3.08Å; E106-R108 VanDerWaalsContact C-N 3.29Å; E106-R108 PolarHBondContact O-N 2.88Å; R108-M112 HydrophobicContact CG-CG 4.35Å; R108-M112 HydrophobicContact CG-SD 3.83Å; R108-M112 VanDerWaalsContact O-CB 3.32Å; R108-M112 WeakPolarHBondContact O-CB 3.11Å; R108-M112 VanDerWaalsContact O-CG 3.23Å; R108-M112 WeakPolarHBondContact O-CG 3.21Å; R108-M112 PolarHBondContact O-N 2.89Å; R108-K122 PolarHBondContact NH1-O 2.84Å; R108-K122 PolarHBondContact NH2-O 3.03Å; R108-K122 VanDerWaalsContact NH2-O 3.13Å |
| 109 | G | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E105 E106 T113 | E105-G109 PolarHBondContact O-N 3.32Å; E106-G109 PolarHBondContact O-N 2.86Å; E106-G109 VanDerWaalsContact O-N 3.08Å; G109-T113 VanDerWaalsContact O-CB 3.24Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.38Å; G109-T113 PolarHBondContact O-OG1 3.09Å |
| 110 | F | 97.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 179.5 | -79.2 | -70.8 | 0 | 0 | 0 | 112.4 | Y22 L43 E106 W107 M112 T113 V114 R132 L133 V136 | Y22-F110 HydrophobicContact CD1-CD2 4.08Å; Y22-F110 AromaticContact CD2-CD2 3.53Å; Y22-F110 HydrophobicContact CD2-CD2 3.53Å; Y22-F110 AromaticContact CD2-CE2 3.26Å; Y22-F110 HydrophobicContact CD2-CE2 3.26Å; Y22-F110 HydrophobicContact CD2-CG 4.44Å; Y22-F110 AromaticContact CD2-CZ 3.97Å; Y22-F110 HydrophobicContact CD2-CZ 3.97Å; Y22-F110 HydrophobicContact CE2-CD2 4.07Å; Y22-F110 AromaticContact CE2-CE2 3.72Å; Y22-F110 HydrophobicContact CE2-CE2 3.72Å; Y22-F110 AromaticContact CG-CD2 3.53Å; Y22-F110 HydrophobicContact CG-CD2 3.53Å; Y22-F110 AromaticContact CG-CE2 3.78Å; Y22-F110 HydrophobicContact CG-CE2 3.78Å; Y22-F110 HydrophobicContact CG-CG 4.13Å; L43-F110 HydrophobicContact CD2-CB 3.69Å; E106-F110 HydrophobicContact CB-CD2 4.43Å; E106-F110 HydrophobicContact CB-CE2 4.46Å; E106-F110 WeakPolarHBondContact O-CD2 3.18Å; E106-F110 PolarHBondContact O-N 2.77Å; W107-F110 PolarHBondContact O-N 2.95Å; F110-M112 PolarHBondContact O-N 3.27Å; F110-T113 PolarHBondContact O-N 3.4Å; F110-V114 PolarHBondContact O-N 3.37Å; F110-V114 VanDerWaalsContact O-N 3.1Å; F110-R132 HydrophobicContact CE1-CB 4.41Å; F110-R132 HydrophobicContact CZ-CB 4.02Å; F110-L133 HydrophobicContact CB-CD2 4.23Å; F110-L133 HydrophobicContact CD1-CD2 3.4Å; F110-L133 HydrophobicContact CD2-CD2 4.11Å; F110-L133 HydrophobicContact CE1-CD2 3.62Å; F110-L133 HydrophobicContact CE2-CD2 4.28Å; F110-L133 HydrophobicContact CG-CD2 3.64Å; F110-L133 HydrophobicContact CZ-CD2 4.05Å; F110-V136 HydrophobicContact CD1-CG1 4.45Å; F110-V136 HydrophobicContact CD1-CG2 4.36Å; F110-V136 HydrophobicContact CE1-CB 4.41Å; F110-V136 HydrophobicContact CE1-CG2 3.9Å |
| 111 | I | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -49.2 | 179.8 | -69.7 | 168.1 | 0 | 0 | 0 | 110.8 | I48 L65 M71 Y85 L87 W107 A115 | I48-I111 HydrophobicContact CD1-CD1 3.75Å; I48-I111 HydrophobicContact CD1-CG1 3.93Å; L65-I111 HydrophobicContact CD1-CB 4.45Å; L65-I111 HydrophobicContact CD1-CG1 4.49Å; L65-I111 HydrophobicContact CD1-CG2 3.98Å; L65-I111 HydrophobicContact CD2-CG2 4.11Å; M71-I111 HydrophobicContact CE-CB 4.21Å; M71-I111 HydrophobicContact CE-CD1 4.26Å; M71-I111 HydrophobicContact CE-CG2 3.96Å; M71-I111 HydrophobicContact SD-CG2 3.92Å; Y85-I111 HydrophobicContact CE2-CD1 3.99Å; L87-I111 HydrophobicContact CD2-CG2 4.03Å; W107-I111 HydrophobicContact CE3-CD1 3.95Å; W107-I111 HydrophobicContact CE3-CG1 4.2Å; W107-I111 VanDerWaalsContact O-CB 3.3Å; W107-I111 WeakPolarHBondContact O-CB 3.49Å; W107-I111 WeakPolarHBondContact O-CD1 3.43Å; W107-I111 WeakPolarHBondContact O-CG1 3.39Å; W107-I111 PolarHBondContact O-N 3.23Å; I111-A115 VanDerWaalsContact O-CB 3.22Å; I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 2.85Å; I111-A115 VanDerWaalsContact O-N 3.09Å |
| 112 | M | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 178 | -69.6 | -177 | 73.8 | 0 | 0 | 111 | M71 R108 F110 V114 A115 T116 P120 | M71-M112 HydrophobicContact SD-CG 3.52Å; M71-M112 VanDerWaalsContact SD-CG 3.52Å; M71-M112 HydrophobicContact SD-SD 4.36Å; R108-M112 HydrophobicContact CG-CG 4.35Å; R108-M112 HydrophobicContact CG-SD 3.83Å; R108-M112 VanDerWaalsContact O-CB 3.32Å; R108-M112 WeakPolarHBondContact O-CB 3.11Å; R108-M112 VanDerWaalsContact O-CG 3.23Å; R108-M112 WeakPolarHBondContact O-CG 3.21Å; R108-M112 PolarHBondContact O-N 2.89Å; F110-M112 PolarHBondContact O-N 3.27Å; M112-V114 PolarHBondContact O-N 3.48Å; M112-A115 PolarHBondContact O-N 2.84Å; M112-T116 PolarHBondContact O-N 2.75Å; M112-T116 PolarHBondContact O-OG1 2.88Å; M112-P120 HydrophobicContact CB-CG 3.45Å; M112-P120 VanDerWaalsContact CB-CG 3.45Å; M112-P120 HydrophobicContact CE-CB 3.96Å; M112-P120 HydrophobicContact CE-CG 3.73Å; M112-P120 HydrophobicContact CG-CG 4.23Å; M112-P120 HydrophobicContact SD-CB 4.28Å; M112-P120 HydrophobicContact SD-CG 3.84Å |
| 113 | T | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | -176.3 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | G109 F110 R117 E118 I119 L133 L137 | G109-T113 VanDerWaalsContact O-CB 3.24Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.38Å; G109-T113 PolarHBondContact O-OG1 3.09Å; F110-T113 PolarHBondContact O-N 3.4Å; T113-R117 WeakPolarHBondContact O-CA 3.3Å; T113-R117 PolarHBondContact O-N 3.03Å; T113-E118 WeakPolarHBondContact CA-O 3.41Å; T113-I119 HydrophobicContact CG2-CG1 4.01Å; T113-L133 HydrophobicContact CG2-CB 4.5Å; T113-L137 HydrophobicContact CG2-CB 3.8Å; T113-L137 HydrophobicContact CG2-CD1 4.2Å; T113-L137 HydrophobicContact CG2-CD2 4.46Å; T113-L137 HydrophobicContact CG2-CG 4.37Å |
| 114 | V | 94.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77 | -30 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | Y21 L43 L65 F110 M112 V136 | Y21-V114 HydrophobicContact CD2-CG1 3.88Å; Y21-V114 HydrophobicContact CE2-CG1 4.06Å; L43-V114 HydrophobicContact CD1-CG2 4.04Å; L43-V114 HydrophobicContact CD2-CG1 4.22Å; L43-V114 HydrophobicContact CD2-CG2 4.08Å; L43-V114 HydrophobicContact CG-CG2 4.49Å; L65-V114 HydrophobicContact CD1-CG2 3.59Å; F110-V114 PolarHBondContact O-N 3.37Å; F110-V114 VanDerWaalsContact O-N 3.1Å; M112-V114 PolarHBondContact O-N 3.48Å; V114-V136 HydrophobicContact CG1-CG1 3.8Å |
| 115 | A | 90.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.3 | -46.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L65 L68 I111 M112 | L65-A115 HydrophobicContact CB-CB 4.11Å; L68-A115 HydrophobicContact CD2-CB 3.79Å; I111-A115 VanDerWaalsContact O-CB 3.22Å; I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 2.85Å; I111-A115 VanDerWaalsContact O-N 3.09Å; M112-A115 PolarHBondContact O-N 2.84Å |
| 116 | T | 90.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -91.9 | -10.5 | -178.3 | 66.5 | 0 | 0 | 0 | 0 | 113.5 | M112 E118 | M112-T116 PolarHBondContact O-N 2.75Å; M112-T116 PolarHBondContact O-OG1 2.88Å; T116-E118 PolarHBondContact O-N 3.39Å; T116-E118 PolarHBondContact OG1-O 2.72Å |
| 117 | R | 89.4 | Confident | 92.6 | Very high | 113 Ų | 113 | 57.5 Ų | 57.5 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 58.5 | 29.5 | -175.4 | -52.3 | 178 | 178.9 | -173.2 | -3.3 | 113.6 | T113 L137 | T113-R117 WeakPolarHBondContact O-CA 3.3Å; T113-R117 PolarHBondContact O-N 3.03Å; R117-L137 HydrophobicContact CB-CD1 4.38Å; R117-L137 VanDerWaalsContact O-CD1 3.31Å; R117-L137 WeakPolarHBondContact O-CD1 3.22Å |
| 118 | E | 92.8 | Very high | 92.5 | Very high | 138 Ų | 138 | 59.6 Ų | 59.6 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -148.4 | 143.7 | 179.1 | -67.3 | -173.6 | 171.8 | 0 | 0 | 109.2 | T113 T116 P120 | T113-E118 WeakPolarHBondContact CA-O 3.41Å; T116-E118 PolarHBondContact O-N 3.39Å; T116-E118 PolarHBondContact OG1-O 2.72Å; E118-P120 WeakPolarHBondContact O-CD 3.48Å |
| 119 | I | 93.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | trans | -76.9 | 122.5 | 175.2 | -58 | 177.5 | 0 | 0 | 0 | 109.1 | T113 S121 L123 L133 E134 L137 | T113-I119 HydrophobicContact CG2-CG1 4.01Å; I119-S121 PolarHBondContact O-N 3.2Å; I119-L123 HydrophobicContact CG2-CD1 4.19Å; I119-L133 HydrophobicContact CD1-CB 3.9Å; I119-L133 HydrophobicContact CG1-CB 4.12Å; I119-L133 HydrophobicContact CG2-CB 4.44Å; I119-L133 HydrophobicContact CG2-CD1 4.11Å; I119-E134 HydrophobicContact CD1-CB 4.18Å; I119-E134 HydrophobicContact CD1-CG 3.35Å; I119-L137 HydrophobicContact CG1-CD2 3.95Å | ||
| 120 | P | 89.6 | Confident | 92.6 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | trans | -63.1 | 123.4 | 178.2 | -19.4 | 29.2 | 0 | 0 | 0 | 112 | M112 E118 K122 L123 | M112-P120 HydrophobicContact CB-CG 3.45Å; M112-P120 VanDerWaalsContact CB-CG 3.45Å; M112-P120 HydrophobicContact CE-CB 3.96Å; M112-P120 HydrophobicContact CE-CG 3.73Å; M112-P120 HydrophobicContact CG-CG 4.23Å; M112-P120 HydrophobicContact SD-CB 4.28Å; M112-P120 HydrophobicContact SD-CG 3.84Å; E118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-K122 PolarHBondContact O-N 3.36Å; P120-L123 HydrophobicContact CB-CD1 4.15Å; P120-L123 HydrophobicContact CB-CG 4.14Å; P120-L123 HydrophobicContact CG-CD1 4.17Å; P120-L123 WeakPolarHBondContact O-CD1 3.34Å | ||
| 121 | S | 85.4 | Confident | 92.6 | Very high | 124 Ų | 124 | 65.8 Ų | 65.8 | 87% | 0.867 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -64.3 | -5.7 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | I119 | I119-S121 PolarHBondContact O-N 3.2Š|
| 122 | K | 86.1 | Confident | 92.6 | Very high | 172 Ų | 172 | 71.4 Ų | 71.4 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | trans | -121.7 | 75.4 | -180 | -63.2 | 178.8 | -176.2 | 174.5 | 0 | 110.4 | R108 P120 | R108-K122 PolarHBondContact NH1-O 2.84Å; R108-K122 PolarHBondContact NH2-O 3.03Å; R108-K122 VanDerWaalsContact NH2-O 3.13Å; P120-K122 PolarHBondContact O-N 3.36Å | ||
| 123 | L | 89.1 | Confident | 92.8 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -129.1 | 140.3 | 175.1 | -75 | 168 | 0 | 0 | 0 | 110.1 | I119 P120 L125 I130 L133 | I119-L123 HydrophobicContact CG2-CD1 4.19Å; P120-L123 HydrophobicContact CB-CD1 4.15Å; P120-L123 HydrophobicContact CB-CG 4.14Å; P120-L123 HydrophobicContact CG-CD1 4.17Å; P120-L123 WeakPolarHBondContact O-CD1 3.34Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 HydrophobicContact CB-CD1 4.3Å; L123-L125 HydrophobicContact CB-CG 4.18Å; L123-L125 HydrophobicContact CD1-CD1 4.13Å; L123-L125 HydrophobicContact CD2-CD1 4.4Å; L123-L125 PolarHBondContact O-N 2.7Å; L123-I130 HydrophobicContact CD1-CD1 4.48Å; L123-L133 HydrophobicContact CD1-CD1 3.65Å | ||
| 124 | Q | 90.3 | Very high | 92.8 | Very high | 129 Ų | 129 | 74.3 Ų | 74.3 | 60% | 0.603 | 39% | 0.39 | S | S | * | . | trans | -94.8 | 50.4 | 175.1 | -59 | -157.4 | 15.5 | 0 | 0 | 111.8 | Y77 E105 | Y77-Q124 HydrophobicContact CD1-CG 4.3Å; Y77-Q124 HydrophobicContact CE1-CB 4.44Å; E105-Q124 HydrophobicContact CG-CB 4.41Å; E105-Q124 PolarHBondContact OE2-N 3.44Å | ||
| 125 | L | 92.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | trans | -105.3 | 150.3 | -176.4 | -66.1 | -179.2 | 0 | 0 | 0 | 112.4 | E105 E106 L123 Q129 I130 L133 | E105-L125 HydrophobicContact CB-CD2 4.02Å; E106-L125 HydrophobicContact CB-CD2 4.49Å; E106-L125 HydrophobicContact CG-CD2 3.83Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 HydrophobicContact CB-CD1 4.3Å; L123-L125 HydrophobicContact CB-CG 4.18Å; L123-L125 HydrophobicContact CD1-CD1 4.13Å; L123-L125 HydrophobicContact CD2-CD1 4.4Å; L123-L125 PolarHBondContact O-N 2.7Å; L125-Q129 HydrophobicContact CB-CB 3.99Å; L125-Q129 HydrophobicContact CD1-CB 4.41Å; L125-Q129 HydrophobicContact CD2-CB 4.36Å; L125-Q129 HydrophobicContact CG-CB 4.49Å; L125-I130 HydrophobicContact CB-CD1 3.83Å; L125-I130 HydrophobicContact CB-CG1 4.19Å; L125-I130 HydrophobicContact CD1-CD1 4.33Å; L125-L133 HydrophobicContact CD1-CD1 3.73Å | ||
| 126 | L | 94.9 | Very high | 93.2 | Very high | 117 Ų | 117 | 79.4 Ų | 79.4 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | trans | -72.6 | 156.9 | 174.8 | -60.3 | 176.7 | 0 | 0 | 0 | 111 | G128 Q129 I130 | L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.84Å; L126-G128 VanDerWaalsContact O-N 3.17Å; L126-Q129 HydrophobicContact CB-CG 4.43Å; L126-Q129 WeakPolarHBondContact O-CA 3.16Å; L126-Q129 WeakPolarHBondContact O-CB 3.34Å; L126-Q129 PolarHBondContact O-N 2.83Å; L126-I130 PolarHBondContact O-N 3.47Å | ||
| 127 | P | 95.1 | Very high | 93.5 | Very high | 103 Ų | 103 | 76.7 Ų | 76.7 | 67% | 0.669 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -53.1 | -41.5 | -179.9 | -28.5 | 35.7 | 0 | 0 | 0 | 114 | Q129 I130 L131 | P127-Q129 VanDerWaalsContact C-N 3.25Å; P127-Q129 PolarHBondContact O-N 2.91Å; P127-I130 PolarHBondContact O-N 2.92Å; P127-L131 WeakPolarHBondContact O-CG 3.18Å; P127-L131 PolarHBondContact O-N 2.9Å |
| 128 | G | 96.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.8 | -16 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L126 | L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.84Å; L126-G128 VanDerWaalsContact O-N 3.17Å |
| 129 | Q | 95.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -87.1 | -38.8 | 171.4 | -67 | 167.4 | -48.1 | 0 | 0 | 110.4 | E106 L125 L126 P127 R132 L133 | E106-Q129 WeakPolarHBondContact OE1-CG 3.25Å; E106-Q129 PolarHBondContact OE1-NE2 3.33Å; L125-Q129 HydrophobicContact CB-CB 3.99Å; L125-Q129 HydrophobicContact CD1-CB 4.41Å; L125-Q129 HydrophobicContact CD2-CB 4.36Å; L125-Q129 HydrophobicContact CG-CB 4.49Å; L126-Q129 HydrophobicContact CB-CG 4.43Å; L126-Q129 WeakPolarHBondContact O-CA 3.16Å; L126-Q129 WeakPolarHBondContact O-CB 3.34Å; L126-Q129 PolarHBondContact O-N 2.83Å; P127-Q129 VanDerWaalsContact C-N 3.25Å; P127-Q129 PolarHBondContact O-N 2.91Å; Q129-R132 PolarHBondContact O-N 3.25Å; Q129-L133 PolarHBondContact O-N 2.84Å |
| 130 | I | 96.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 68.7 Ų | 68.7 | 23% | 0.226 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 172 | -61.9 | -63.2 | 0 | 0 | 0 | 111.1 | L123 L125 L126 P127 R132 L133 E134 | L123-I130 HydrophobicContact CD1-CD1 4.48Å; L125-I130 HydrophobicContact CB-CD1 3.83Å; L125-I130 HydrophobicContact CB-CG1 4.19Å; L125-I130 HydrophobicContact CD1-CD1 4.33Å; L126-I130 PolarHBondContact O-N 3.47Å; P127-I130 PolarHBondContact O-N 2.92Å; I130-R132 VanDerWaalsContact C-N 3.27Å; I130-R132 PolarHBondContact O-N 2.81Å; I130-L133 HydrophobicContact CD1-CD1 4.33Å; I130-L133 WeakPolarHBondContact O-CA 3.49Å; I130-L133 WeakPolarHBondContact O-CB 3.46Å; I130-L133 PolarHBondContact O-N 2.78Å; I130-E134 PolarHBondContact O-N 3.06Å |
| 131 | L | 96.8 | Very high | 93.5 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.1 | -37.6 | 175.4 | -72.3 | 172.2 | 0 | 0 | 0 | 112.8 | P127 L133 E134 E135 | P127-L131 WeakPolarHBondContact O-CG 3.18Å; P127-L131 PolarHBondContact O-N 2.9Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 3.01Å; L131-E134 WeakPolarHBondContact O-CB 3.48Å; L131-E134 PolarHBondContact O-N 3.31Å; L131-E135 WeakPolarHBondContact O-CG 3.46Å; L131-E135 PolarHBondContact O-N 3.09Å |
| 132 | R | 96.9 | Very high | 93.7 | Very high | 119 Ų | 119 | 73.3 Ų | 73.3 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 174 | -64.5 | -175 | -151 | 153.1 | 4.9 | 112.8 | E106 F110 Q129 I130 E134 V136 | E106-R132 IonicContact OE1-NH1 3.27Å; F110-R132 HydrophobicContact CE1-CB 4.41Å; F110-R132 HydrophobicContact CZ-CB 4.02Å; Q129-R132 PolarHBondContact O-N 3.25Å; I130-R132 VanDerWaalsContact C-N 3.27Å; I130-R132 PolarHBondContact O-N 2.81Å; R132-E134 VanDerWaalsContact C-N 3.33Å; R132-V136 WeakPolarHBondContact O-CB 3.23Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.06Å |
| 133 | L | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 172.2 | -62.9 | 179.9 | 0 | 0 | 0 | 111.2 | F110 T113 I119 L123 L125 Q129 I130 L131 L137 | F110-L133 HydrophobicContact CB-CD2 4.23Å; F110-L133 HydrophobicContact CD1-CD2 3.4Å; F110-L133 HydrophobicContact CD2-CD2 4.11Å; F110-L133 HydrophobicContact CE1-CD2 3.62Å; F110-L133 HydrophobicContact CE2-CD2 4.28Å; F110-L133 HydrophobicContact CG-CD2 3.64Å; F110-L133 HydrophobicContact CZ-CD2 4.05Å; T113-L133 HydrophobicContact CG2-CB 4.5Å; I119-L133 HydrophobicContact CD1-CB 3.9Å; I119-L133 HydrophobicContact CG1-CB 4.12Å; I119-L133 HydrophobicContact CG2-CB 4.44Å; I119-L133 HydrophobicContact CG2-CD1 4.11Å; L123-L133 HydrophobicContact CD1-CD1 3.65Å; L125-L133 HydrophobicContact CD1-CD1 3.73Å; Q129-L133 PolarHBondContact O-N 2.84Å; I130-L133 HydrophobicContact CD1-CD1 4.33Å; I130-L133 WeakPolarHBondContact O-CA 3.49Å; I130-L133 WeakPolarHBondContact O-CB 3.46Å; I130-L133 PolarHBondContact O-N 2.78Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 3.01Å; L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 PolarHBondContact O-N 2.62Å |
| 134 | E | 97 | Very high | 93.3 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 173.4 | -66.1 | 174.2 | -171.3 | 0 | 0 | 111.8 | I119 I130 L131 R132 L137 S138 | I119-E134 HydrophobicContact CD1-CB 4.18Å; I119-E134 HydrophobicContact CD1-CG 3.35Å; I130-E134 PolarHBondContact O-N 3.06Å; L131-E134 WeakPolarHBondContact O-CB 3.48Å; L131-E134 PolarHBondContact O-N 3.31Å; R132-E134 VanDerWaalsContact C-N 3.33Å; E134-L137 PolarHBondContact O-N 2.77Å; E134-S138 PolarHBondContact O-N 3.18Å |
| 135 | E | 96.3 | Very high | 92.7 | Very high | 127 Ų | 127 | 64.7 Ų | 64.7 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.7 | -55.4 | 174.3 | -72.2 | 168.5 | 170.6 | 0 | 0 | 111.3 | L131 L137 S138 E139 | L131-E135 WeakPolarHBondContact O-CG 3.46Å; L131-E135 PolarHBondContact O-N 3.09Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.35Å; E135-S138 PolarHBondContact O-N 2.99Å; E135-E139 PolarHBondContact O-N 3.11Å |
| 136 | V | 96.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 178.9 | 165.4 | 0 | 0 | 0 | 0 | 111.9 | Y21 F110 V114 R132 E139 E140 | Y21-V136 HydrophobicContact CD1-CB 4.35Å; Y21-V136 HydrophobicContact CD1-CG1 3.94Å; Y21-V136 HydrophobicContact CD1-CG2 3.75Å; Y21-V136 HydrophobicContact CD2-CG1 3.6Å; Y21-V136 HydrophobicContact CE1-CG1 4.32Å; Y21-V136 HydrophobicContact CE2-CG1 3.99Å; Y21-V136 HydrophobicContact CG-CB 4.35Å; Y21-V136 HydrophobicContact CG-CG1 3.56Å; Y21-V136 HydrophobicContact CG-CG2 3.88Å; F110-V136 HydrophobicContact CD1-CG1 4.45Å; F110-V136 HydrophobicContact CD1-CG2 4.36Å; F110-V136 HydrophobicContact CE1-CB 4.41Å; F110-V136 HydrophobicContact CE1-CG2 3.9Å; V114-V136 HydrophobicContact CG1-CG1 3.8Å; R132-V136 WeakPolarHBondContact O-CB 3.23Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.06Å; V136-E139 PolarHBondContact O-N 2.79Å; V136-E140 WeakPolarHBondContact O-CB 3.41Å; V136-E140 PolarHBondContact O-N 3.38Å |
| 137 | L | 95.8 | Very high | 90 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.5 | 179.2 | 56.5 | 0 | 0 | 0 | 111.4 | T113 R117 I119 L133 E134 E135 E139 Q141 | T113-L137 HydrophobicContact CG2-CB 3.8Å; T113-L137 HydrophobicContact CG2-CD1 4.2Å; T113-L137 HydrophobicContact CG2-CD2 4.46Å; T113-L137 HydrophobicContact CG2-CG 4.37Å; R117-L137 HydrophobicContact CB-CD1 4.38Å; R117-L137 VanDerWaalsContact O-CD1 3.31Å; R117-L137 WeakPolarHBondContact O-CD1 3.22Å; I119-L137 HydrophobicContact CG1-CD2 3.95Å; L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 PolarHBondContact O-N 2.62Å; E134-L137 PolarHBondContact O-N 2.77Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.35Å; L137-E139 VanDerWaalsContact C-N 3.29Å; L137-E139 PolarHBondContact O-N 3.4Å; L137-Q141 HydrophobicContact CD1-CG 4.01Å; L137-Q141 HydrophobicContact CG-CG 4.44Å; L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.42Å; L137-Q141 WeakPolarHBondContact O-CG 3.41Å; L137-Q141 PolarHBondContact O-N 3.34Å |
| 138 | S | 94.6 | Very high | 87.2 | Confident | 43 Ų | 43 | 65 Ų | 65 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 177 | 115.2 | 0 | 0 | 0 | 0 | 111.6 | E134 E135 K142 | E134-S138 PolarHBondContact O-N 3.18Å; E135-S138 PolarHBondContact O-N 2.99Å; S138-K142 VanDerWaalsContact O-CD 3.31Å; S138-K142 WeakPolarHBondContact O-CD 3.41Å; S138-K142 WeakPolarHBondContact O-CG 3.41Å; S138-K142 PolarHBondContact O-N 2.82Å; S138-K142 VanDerWaalsContact O-N 3.07Å; S138-K142 PolarHBondContact OG-NZ 3.32Å |
| 139 | E | 92.9 | Very high | 84.7 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.5 | -48.6 | 179.3 | -168.2 | 174.7 | 155.2 | 0 | 0 | 111.8 | P19 Y21 E135 V136 L137 Q141 K142 R143 | P19-E139 WeakPolarHBondContact CB-OE1 3.44Å; P19-E139 VanDerWaalsContact CG-OE1 3.25Å; P19-E139 WeakPolarHBondContact CG-OE1 3.34Å; Y21-E139 HydrophobicContact CE1-CB 4.32Å; Y21-E139 HydrophobicContact CE1-CG 4.16Å; E135-E139 PolarHBondContact O-N 3.11Å; V136-E139 PolarHBondContact O-N 2.79Å; L137-E139 VanDerWaalsContact C-N 3.29Å; L137-E139 PolarHBondContact O-N 3.4Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.13Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-R143 WeakPolarHBondContact O-CB 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å |
| 140 | E | 90.8 | Very high | 82.2 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.009 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 177.2 | 179 | 59 | -165.4 | 0 | 0 | 111.4 | Y21 G45 V136 R143 Q144 | Y21-E140 HydrophobicContact CE2-CB 4.12Å; Y21-E140 WeakPolarHBondContact OH-CA 3.36Å; Y21-E140 PolarHBondContact OH-N 3.09Å; Y21-E140 PolarHBondContact OH-OE2 3.3Å; G45-E140 WeakPolarHBondContact CA-OE2 3.08Å; V136-E140 WeakPolarHBondContact O-CB 3.41Å; V136-E140 PolarHBondContact O-N 3.38Å; E140-R143 VanDerWaalsContact CD-NH2 3.29Å; E140-R143 PolarHBondContact O-N 3.46Å; E140-R143 IonicContact OE1-CZ 2.73Å; E140-R143 IonicContact OE1-NE 2.75Å; E140-R143 IonicContact OE1-NH2 3.03Å; E140-R143 PolarHBondContact OE1-NH2 3.43Å; E140-R143 IonicContact OE2-CZ 3.35Å; E140-R143 VanDerWaalsContact OE2-CZ 3.32Å; E140-R143 IonicContact OE2-NE 3.85Å; E140-R143 PolarHBondContact OE2-NE 3.48Å; E140-R143 IonicContact OE2-NH2 3.88Å; E140-R143 PolarHBondContact OE2-NH2 3.04Å; E140-Q144 HydrophobicContact CG-CG 4.28Å; E140-Q144 VanDerWaalsContact O-CB 3.29Å; E140-Q144 WeakPolarHBondContact O-CB 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.47Å; E140-Q144 PolarHBondContact O-N 2.9Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.37Å; E140-Q144 PolarHBondContact OE1-NE2 2.82Å |
| 141 | Q | 89 | Confident | 79.3 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 172.5 | -77.7 | 176.1 | -3.1 | 0 | 0 | 112.1 | L137 E139 Q144 A145 | L137-Q141 HydrophobicContact CD1-CG 4.01Å; L137-Q141 HydrophobicContact CG-CG 4.44Å; L137-Q141 VanDerWaalsContact O-CB 3.28Å; L137-Q141 WeakPolarHBondContact O-CB 3.42Å; L137-Q141 WeakPolarHBondContact O-CG 3.41Å; L137-Q141 PolarHBondContact O-N 3.34Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.13Å; Q141-Q144 PolarHBondContact O-N 3.35Å; Q141-A145 VanDerWaalsContact O-CB 3.31Å; Q141-A145 WeakPolarHBondContact O-CB 3.48Å; Q141-A145 PolarHBondContact O-N 3.37Å |
| 142 | K | 88.8 | Confident | 76.6 | Confident | 142 Ų | 142 | 81.7 Ų | 81.7 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 175.8 | -72.4 | 161.4 | -172.4 | 157.1 | 0 | 111.5 | S138 E139 A145 A146 | S138-K142 VanDerWaalsContact O-CD 3.31Å; S138-K142 WeakPolarHBondContact O-CD 3.41Å; S138-K142 WeakPolarHBondContact O-CG 3.41Å; S138-K142 PolarHBondContact O-N 2.82Å; S138-K142 VanDerWaalsContact O-N 3.07Å; S138-K142 PolarHBondContact OG-NZ 3.32Å; E139-K142 PolarHBondContact O-N 3.49Å; K142-A145 PolarHBondContact O-N 2.85Å; K142-A146 PolarHBondContact O-N 2.84Å |
| 143 | R | 87.9 | Confident | 73.4 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 20% | 0.2 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.8 | -164.4 | -166.7 | 67.1 | 70.9 | 1 | 111.3 | E139 E140 A146 C147 | E139-R143 WeakPolarHBondContact O-CB 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å; E140-R143 VanDerWaalsContact CD-NH2 3.29Å; E140-R143 PolarHBondContact O-N 3.46Å; E140-R143 IonicContact OE1-CZ 2.73Å; E140-R143 IonicContact OE1-NE 2.75Å; E140-R143 IonicContact OE1-NH2 3.03Å; E140-R143 PolarHBondContact OE1-NH2 3.43Å; E140-R143 IonicContact OE2-CZ 3.35Å; E140-R143 VanDerWaalsContact OE2-CZ 3.32Å; E140-R143 IonicContact OE2-NE 3.85Å; E140-R143 PolarHBondContact OE2-NE 3.48Å; E140-R143 IonicContact OE2-NH2 3.88Å; E140-R143 PolarHBondContact OE2-NH2 3.04Å; R143-A146 PolarHBondContact O-N 3.11Å; R143-C147 PolarHBondContact O-N 3.1Å; R143-C147 VanDerWaalsContact O-N 3.08Å; R143-C147 PolarHBondContact O-SG 2.92Å; R143-C147 VanDerWaalsContact O-SG 3.38Å |
| 144 | Q | 78.3 | Confident | 70.5 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 10% | 0.103 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69.5 | -35.8 | 177.1 | -69.4 | -78.4 | 3 | 0 | 0 | 112.4 | E140 Q141 A146 C147 S148 | E140-Q144 HydrophobicContact CG-CG 4.28Å; E140-Q144 VanDerWaalsContact O-CB 3.29Å; E140-Q144 WeakPolarHBondContact O-CB 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.47Å; E140-Q144 PolarHBondContact O-N 2.9Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.37Å; E140-Q144 PolarHBondContact OE1-NE2 2.82Å; Q141-Q144 PolarHBondContact O-N 3.35Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 2.96Å; Q144-C147 CarbonylContact O-C 3.59Å; Q144-C147 PolarHBondContact O-N 3.2Å; Q144-C147 VanDerWaalsContact O-N 3.15Å; Q144-S148 VanDerWaalsContact O-CB 3.27Å; Q144-S148 WeakPolarHBondContact O-CB 3.44Å; Q144-S148 PolarHBondContact O-N 3.3Å |
| 145 | A | 78.1 | Confident | 67.3 | Low | 71 Ų | 71 | 91.5 Ų | 91.5 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -35.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q141 K142 C147 | Q141-A145 VanDerWaalsContact O-CB 3.31Å; Q141-A145 WeakPolarHBondContact O-CB 3.48Å; Q141-A145 PolarHBondContact O-N 3.37Å; K142-A145 PolarHBondContact O-N 2.85Å; A145-C147 VanDerWaalsContact C-N 3.34Å |
| 146 | A | 72.6 | Confident | 64.5 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 75% | 0.752 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.6 | -25 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K142 R143 Q144 | K142-A146 PolarHBondContact O-N 2.84Å; R143-A146 PolarHBondContact O-N 3.11Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 2.96Å |
| 147 | C | 57.4 | Low | 61.4 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -91.1 | -11.5 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | R143 Q144 A145 | R143-C147 PolarHBondContact O-N 3.1Å; R143-C147 VanDerWaalsContact O-N 3.08Å; R143-C147 PolarHBondContact O-SG 2.92Å; R143-C147 VanDerWaalsContact O-SG 3.38Å; Q144-C147 CarbonylContact O-C 3.59Å; Q144-C147 PolarHBondContact O-N 3.2Å; Q144-C147 VanDerWaalsContact O-N 3.15Å; A145-C147 VanDerWaalsContact C-N 3.34Å |
| 148 | S | 36.4 | Very low | 58.3 | Low | 77 Ų | 77 | 105 Ų | 105 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -97 | 121.9 | -175.6 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | Q144 L150 | Q144-S148 VanDerWaalsContact O-CB 3.27Å; Q144-S148 WeakPolarHBondContact O-CB 3.44Å; Q144-S148 PolarHBondContact O-N 3.3Å; S148-L150 PolarHBondContact O-N 3.1Å |
| 149 | P | 43.6 | Very low | 55.8 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 74% | 0.74 | 61% | 0.607 | S | S | * | * | trans | -73.1 | 120.4 | 175.9 | 28.8 | -32.2 | 0 | 0 | 0 | 110.7 | ||||
| 150 | L | 43.6 | Very low | 52.9 | Low | 152 Ų | 152 | 109.5 Ų | 109.5 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | trans | 66.6 | 104.8 | 166.2 | -60.9 | 163.5 | 0 | 0 | 0 | 117.6 | S148 | S148-L150 PolarHBondContact O-N 3.1Š| ||
| 151 | L | 34.2 | Very low | 50.5 | Low | 170 Ų | 170 | 114.8 Ų | 114.8 | 89% | 0.89 | 66% | 0.661 | S | S | * | * | trans | -129.7 | 119.5 | 131.4 | -79 | -178.5 | 0 | 0 | 0 | 110.5 | T153 | L151-T153 PolarHBondContact O-N 3.23Š| ||
| 152 | T | 40.1 | Very low | 48 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | trans | -57.8 | 123.1 | 178.5 | 40.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 153 | T | 30.2 | Very low | 46.2 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -114.4 | 105.8 | 156.6 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | L151 Y155 | L151-T153 PolarHBondContact O-N 3.23Å; T153-Y155 HydrophobicContact CG2-CD2 3.87Å; T153-Y155 HydrophobicContact CG2-CE2 3.41Å; T153-Y155 VanDerWaalsContact CG2-CE2 3.41Å; T153-Y155 PolarHBondContact O-N 2.72Å | ||
| 154 | T | 35.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -71.1 | 119.5 | -179.7 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 155 | Y | 31.3 | Very low | 42.1 | Very low | 191 Ų | 191 | 118.6 Ų | 118.6 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -131.2 | 152.2 | 163.5 | -77.3 | -67.7 | 0 | 0 | 0 | 111.3 | T153 | T153-Y155 HydrophobicContact CG2-CD2 3.87Å; T153-Y155 HydrophobicContact CG2-CE2 3.41Å; T153-Y155 VanDerWaalsContact CG2-CE2 3.41Å; T153-Y155 PolarHBondContact O-N 2.72Å | ||
| 156 | P | 37.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | trans | -76.4 | 142.3 | -164.2 | -14.4 | 30.3 | 0 | 0 | 0 | 113.4 | H158 | P156-H158 PolarHBondContact O-N 2.77Š| ||
| 157 | I | 31.5 | Very low | 39.2 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -70.9 | 123.2 | 174.8 | -60.9 | 166.6 | 0 | 0 | 0 | 109.7 | ||||
| 158 | H | 31 | Very low | 38.6 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -115.6 | 117.6 | 158.1 | -94.5 | -83.1 | 0 | 0 | 0 | 109.1 | P156 | P156-H158 PolarHBondContact O-N 2.77Š| ||
| 159 | P | 40.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -91.9 | 117.9 | -177.6 | 32.8 | -30.9 | 0 | 0 | 0 | 112.3 | ||||
| 160 | S | 31.6 | Very low | 39.3 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -154.3 | 91.8 | 161 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 161 | S | 40.9 | Very low | 39.5 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | 33.8 | 134 | 142.2 | 59.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 162 | S | 37.4 | Very low | 40.5 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | 90.7 | 160.7 | 157.9 | -118.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 163 | P | 49.3 | Very low | 41.9 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | -125.6 | 124.4 | -106.9 | 30.7 | -11 | 0 | 0 | 0 | 114 | |||||
| 164 | G | 37.3 | Very low | 44.3 | Very low | 34 Ų | 34 | 111.9 Ų | 111.9 | 35% | 0.351 | 64% | 0.641 | S | S | . | * | trans | -179.3 | 67.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T166 Y167 | G164-T166 PolarHBondContact O-N 2.74Å; G164-Y167 WeakPolarHBondContact O-CD2 3.43Å; G164-Y167 WeakPolarHBondContact O-CE2 3.31Å | ||
| 165 | N | 43.8 | Very low | 46.6 | Very low | 120 Ų | 120 | 106.8 Ų | 106.8 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 57.1 | -177.3 | -71.7 | 24.3 | 0 | 0 | 0 | 113 | D168 | N165-D168 HydrophobicContact CB-CB 4.32Å; N165-D168 PolarHBondContact ND2-OD2 2.7Å |
| 166 | T | 46.6 | Very low | 49.1 | Very low | 97 Ų | 97 | 104 Ų | 104 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -31.3 | 166.5 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | G164 D168 | G164-T166 PolarHBondContact O-N 2.74Å; T166-D168 VanDerWaalsContact C-N 3.34Å; T166-D168 PolarHBondContact O-N 2.88Å |
| 167 | Y | 43.4 | Very low | 51.5 | Low | 202 Ų | 202 | 98.6 Ų | 98.6 | 79% | 0.792 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -81 | -11.6 | -175 | -34.6 | -76.4 | 0 | 0 | 0 | 114.1 | G164 | G164-Y167 WeakPolarHBondContact O-CD2 3.43Å; G164-Y167 WeakPolarHBondContact O-CE2 3.31Å |
| 168 | D | 43.9 | Very low | 54.5 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 35% | 0.353 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -92.6 | -34.1 | -172.4 | -166.7 | 11.4 | 0 | 0 | 0 | 112.3 | N165 T166 T170 L171 N172 | N165-D168 HydrophobicContact CB-CB 4.32Å; N165-D168 PolarHBondContact ND2-OD2 2.7Å; T166-D168 VanDerWaalsContact C-N 3.34Å; T166-D168 PolarHBondContact O-N 2.88Å; D168-T170 VanDerWaalsContact C-N 3.34Å; D168-T170 PolarHBondContact O-N 3.17Å; D168-L171 PolarHBondContact O-N 2.83Å; D168-L171 VanDerWaalsContact O-N 3.13Å; D168-N172 PolarHBondContact O-N 2.88Å; D168-N172 PolarHBondContact O-ND2 2.85Å; D168-N172 VanDerWaalsContact O-ND2 3.09Å; D168-N172 PolarHBondContact OD1-ND2 3.05Å |
| 169 | N | 47.6 | Very low | 57.3 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 28% | 0.278 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -38.4 | -178 | -88.7 | -8.2 | 0 | 0 | 0 | 113.4 | L171 N172 I174 | N169-L171 VanDerWaalsContact C-N 3.26Å; N169-L171 PolarHBondContact O-N 2.87Å; N169-N172 PolarHBondContact O-N 3.06Å; N169-I174 HydrophobicContact CB-CB 4.38Å; N169-I174 HydrophobicContact CB-CG2 4.47Å; N169-I174 PolarHBondContact O-N 3.49Å |
| 170 | T | 46.9 | Very low | 59.7 | Low | 107 Ų | 107 | 85.4 Ų | 85.4 | 66% | 0.656 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -25.8 | 180 | -40.2 | 0 | 0 | 0 | 0 | 112.5 | D168 | D168-T170 VanDerWaalsContact C-N 3.34Å; D168-T170 PolarHBondContact O-N 3.17Å |
| 171 | L | 47.7 | Very low | 62.5 | Low | 151 Ų | 151 | 81.7 Ų | 81.7 | 79% | 0.791 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -26 | 179.6 | -159.2 | 70.9 | 0 | 0 | 0 | 112.3 | D168 N169 | D168-L171 PolarHBondContact O-N 2.83Å; D168-L171 VanDerWaalsContact O-N 3.13Å; N169-L171 VanDerWaalsContact C-N 3.26Å; N169-L171 PolarHBondContact O-N 2.87Å |
| 172 | N | 56.2 | Low | 65 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 12.4 | -173.2 | -64.9 | -34.9 | 0 | 0 | 0 | 114.4 | D168 N169 I174 | D168-N172 PolarHBondContact O-N 2.88Å; D168-N172 PolarHBondContact O-ND2 2.85Å; D168-N172 VanDerWaalsContact O-ND2 3.09Å; D168-N172 PolarHBondContact OD1-ND2 3.05Å; N169-N172 PolarHBondContact O-N 3.06Å; N172-I174 HydrophobicContact CB-CD1 4.1Å; N172-I174 HydrophobicContact CB-CG1 4.21Å; N172-I174 PolarHBondContact O-N 2.93Å |
| 173 | G | 69.5 | Low | 67.6 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 18.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 174 | I | 79.9 | Confident | 69.8 | Low | 32 Ų | 32 | 81.4 Ų | 81.4 | 16% | 0.164 | 44% | 0.444 | C | S | . | . | trans | -87.7 | 124.9 | 178.8 | -63.4 | 173.9 | 0 | 0 | 0 | 108.2 | N169 N172 F178 | N169-I174 HydrophobicContact CB-CB 4.38Å; N169-I174 HydrophobicContact CB-CG2 4.47Å; N169-I174 PolarHBondContact O-N 3.49Å; N172-I174 HydrophobicContact CB-CD1 4.1Å; N172-I174 HydrophobicContact CB-CG1 4.21Å; N172-I174 PolarHBondContact O-N 2.93Å; I174-F178 HydrophobicContact CG2-CB 3.41Å; I174-F178 VanDerWaalsContact CG2-CB 3.41Å; I174-F178 HydrophobicContact CG2-CD1 3.5Å; I174-F178 HydrophobicContact CG2-CD2 4.26Å; I174-F178 HydrophobicContact CG2-CE1 4.32Å; I174-F178 HydrophobicContact CG2-CG 3.45Å; I174-F178 VanDerWaalsContact CG2-CG 3.45Å | ||
| 175 | P | 85.5 | Confident | 72.4 | Confident | 21 Ų | 21 | 84.4 Ų | 84.4 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | trans | -71.4 | 153.1 | -174.4 | 28.4 | -35.3 | 0 | 0 | 0 | 112.7 | C177 F178 L201 L249 L253 | P175-C177 PolarHBondContact O-N 3.45Å; P175-C177 VanDerWaalsContact O-N 3.11Å; P175-F178 WeakPolarHBondContact O-CB 3.25Å; P175-F178 PolarHBondContact O-N 3.31Å; P175-L201 HydrophobicContact CG-CD2 3.51Å; P175-L249 HydrophobicContact CG-CB 4.44Å; P175-L253 HydrophobicContact CB-CD1 3.32Å; P175-L253 HydrophobicContact CG-CD1 3.36Å; P175-L253 HydrophobicContact CG-CG 4.42Å | ||
| 176 | L | 83.8 | Confident | 74.8 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 69% | 0.686 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.7 | -174.6 | -67 | 174.7 | 0 | 0 | 0 | 115.1 | F178 L268 | L176-F178 VanDerWaalsContact C-N 3.29Å; L176-L268 HydrophobicContact CB-CD2 3.66Å |
| 177 | C | 87.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 15.9 | 172.8 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | P175 F179 L201 L253 P266 Y267 | P175-C177 PolarHBondContact O-N 3.45Å; P175-C177 VanDerWaalsContact O-N 3.11Å; C177-F179 HydrophobicContact CB-CE2 4.43Å; C177-F179 VanDerWaalsContact O-CD2 3.31Å; C177-F179 WeakPolarHBondContact O-CD2 3.39Å; C177-F179 PolarHBondContact O-N 3.28Å; C177-L201 PolarHBondContact O-N 2.61Å; C177-L253 WeakPolarHBondContact SG-CD1 3.15Å; C177-P266 HydrophobicContact CB-CB 3.79Å; C177-Y267 WeakPolarHBondContact CA-O 3.46Å; C177-Y267 WeakPolarHBondContact CB-O 3.06Å |
| 178 | F | 92.5 | Very high | 79.5 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 116.4 | 166 | 178.8 | -102.4 | 0 | 0 | 0 | 110.6 | I174 P175 L176 P180 L201 Y210 | I174-F178 HydrophobicContact CG2-CB 3.41Å; I174-F178 VanDerWaalsContact CG2-CB 3.41Å; I174-F178 HydrophobicContact CG2-CD1 3.5Å; I174-F178 HydrophobicContact CG2-CD2 4.26Å; I174-F178 HydrophobicContact CG2-CE1 4.32Å; I174-F178 HydrophobicContact CG2-CG 3.45Å; I174-F178 VanDerWaalsContact CG2-CG 3.45Å; P175-F178 WeakPolarHBondContact O-CB 3.25Å; P175-F178 PolarHBondContact O-N 3.31Å; L176-F178 VanDerWaalsContact C-N 3.29Å; F178-P180 HydrophobicContact CE1-CB 4.33Å; F178-L201 CarbonylContact C-O 3.57Å; F178-L201 VanDerWaalsContact CA-O 3.31Å; F178-L201 WeakPolarHBondContact CA-O 3.47Å; F178-L201 HydrophobicContact CB-CD2 4.42Å; F178-L201 HydrophobicContact CD2-CB 4.43Å; F178-L201 HydrophobicContact CD2-CD2 4.03Å; F178-L201 HydrophobicContact CD2-CG 3.99Å; F178-Y210 HydrophobicContact CD2-CE1 4.48Å; F178-Y210 AromaticContact CE2-CD1 3.92Å; F178-Y210 HydrophobicContact CE2-CD1 3.92Å; F178-Y210 AromaticContact CE2-CE1 3.75Å; F178-Y210 HydrophobicContact CE2-CE1 3.75Å; F178-Y210 HydrophobicContact CZ-CE1 4.34Å |
| 179 | F | 91.3 | Very high | 81.9 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 18% | 0.18 | 37% | 0.37 | C | S | . | . | trans | -118.3 | 125.8 | 172.3 | -66.2 | -87.9 | 0 | 0 | 0 | 109.4 | C177 V181 M189 I200 L201 R202 Y267 V269 | C177-F179 HydrophobicContact CB-CE2 4.43Å; C177-F179 VanDerWaalsContact O-CD2 3.31Å; C177-F179 WeakPolarHBondContact O-CD2 3.39Å; C177-F179 PolarHBondContact O-N 3.28Å; F179-V181 HydrophobicContact CB-CG1 4.1Å; F179-V181 HydrophobicContact CB-CG2 3.82Å; F179-V181 PolarHBondContact O-N 3.45Å; F179-M189 HydrophobicContact CB-CE 4.44Å; F179-M189 HydrophobicContact CD1-CE 3.91Å; F179-M189 HydrophobicContact CD2-CE 4.32Å; F179-M189 HydrophobicContact CE1-CE 4.28Å; F179-M189 HydrophobicContact CG-CE 3.94Å; F179-I200 HydrophobicContact CB-CG2 4.31Å; F179-I200 HydrophobicContact CD2-CG1 4.18Å; F179-I200 HydrophobicContact CD2-CG2 4.12Å; F179-L201 PolarHBondContact N-O 3.48Å; F179-R202 WeakPolarHBondContact O-CA 3.3Å; F179-R202 WeakPolarHBondContact O-CB 3.35Å; F179-Y267 HydrophobicContact CD2-CD1 4.3Å; F179-Y267 AromaticContact CE2-CD1 3.53Å; F179-Y267 HydrophobicContact CE2-CD1 3.53Å; F179-Y267 HydrophobicContact CE2-CE1 4.33Å; F179-Y267 HydrophobicContact CE2-CG 4.4Å; F179-Y267 WeakPolarHBondContact CE2-O 3.46Å; F179-Y267 AromaticContact CZ-CD1 3.7Å; F179-Y267 HydrophobicContact CZ-CD1 3.7Å; F179-Y267 HydrophobicContact CZ-CE1 4.17Å; F179-V269 HydrophobicContact CE1-CG2 4.2Å; F179-V269 HydrophobicContact CZ-CG2 4.22Å | ||
| 180 | P | 90.3 | Very high | 84.2 | Confident | 101 Ų | 101 | 67 Ų | 67 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | trans | -74.9 | 67.5 | 176.3 | 31.7 | -35.3 | 0 | 0 | 0 | 110.6 | F178 | F178-P180 HydrophobicContact CE1-CB 4.33Š| ||
| 181 | V | 91.2 | Very high | 86.4 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -130.8 | 154.2 | -173.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | F179 K185 A186 M189 R202 | F179-V181 HydrophobicContact CB-CG1 4.1Å; F179-V181 HydrophobicContact CB-CG2 3.82Å; F179-V181 PolarHBondContact O-N 3.45Å; V181-K185 HydrophobicContact CB-CB 4.06Å; V181-K185 HydrophobicContact CB-CG 3.79Å; V181-K185 HydrophobicContact CG1-CG 3.97Å; V181-K185 HydrophobicContact CG2-CG 4.42Å; V181-A186 HydrophobicContact CG2-CB 4.02Å; V181-M189 HydrophobicContact CG1-SD 4.29Å; V181-M189 HydrophobicContact CG2-SD 4.28Å; V181-R202 HydrophobicContact CG2-CB 4.44Å; V181-R202 WeakPolarHBondContact O-CD 3.44Å | ||
| 182 | S | 92.4 | Very high | 88.5 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | trans | -68.8 | 161.4 | 175.5 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | Q184 K185 A186 | S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.36Å; S182-K185 PolarHBondContact O-N 3.49Å; S182-K185 PolarHBondContact OG-N 3.48Å; S182-A186 PolarHBondContact O-N 3.08Å | ||
| 183 | R | 93.3 | Very high | 90 | Very high | 124 Ų | 124 | 65.2 Ų | 65.2 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -48.2 | -50.6 | 173.8 | -178.8 | 178.5 | 167.8 | 176.1 | -2.5 | 112.8 | K185 A186 E187 | R183-K185 VanDerWaalsContact C-N 3.3Å; R183-K185 PolarHBondContact O-N 3.33Å; R183-A186 PolarHBondContact O-N 3.36Å; R183-E187 HydrophobicContact CG-CG 4.41Å; R183-E187 IonicContact CZ-OE1 3.02Å; R183-E187 VanDerWaalsContact CZ-OE1 3.3Å; R183-E187 IonicContact NE-OE1 3.66Å; R183-E187 PolarHBondContact NE-OE1 3.02Å; R183-E187 IonicContact NH2-OE1 2.74Å; R183-E187 PolarHBondContact NH2-OE1 3.02Å; R183-E187 WeakPolarHBondContact O-CG 3.34Å; R183-E187 PolarHBondContact O-N 3.15Å |
| 184 | Q | 94.2 | Very high | 90.9 | Very high | 157 Ų | 157 | 66.1 Ų | 66.1 | 73% | 0.734 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.8 | -37.1 | -178.7 | -65.3 | 172.1 | -7.3 | 0 | 0 | 111.9 | S182 K188 | S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.36Å; Q184-K188 VanDerWaalsContact O-CB 3.25Å; Q184-K188 WeakPolarHBondContact O-CB 3.38Å; Q184-K188 PolarHBondContact O-N 2.79Å |
| 185 | K | 93.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 177.6 | 178.8 | 59.6 | 178.6 | 175.1 | 0 | 111.7 | V181 S182 R183 K188 M189 | V181-K185 HydrophobicContact CB-CB 4.06Å; V181-K185 HydrophobicContact CB-CG 3.79Å; V181-K185 HydrophobicContact CG1-CG 3.97Å; V181-K185 HydrophobicContact CG2-CG 4.42Å; S182-K185 PolarHBondContact O-N 3.49Å; S182-K185 PolarHBondContact OG-N 3.48Å; R183-K185 VanDerWaalsContact C-N 3.3Å; R183-K185 PolarHBondContact O-N 3.33Å; K185-K188 PolarHBondContact O-N 3.27Å; K185-M189 HydrophobicContact CD-CG 4.38Å; K185-M189 HydrophobicContact CD-SD 4.33Å; K185-M189 HydrophobicContact CG-SD 4.07Å; K185-M189 WeakPolarHBondContact O-CB 3.48Å; K185-M189 VanDerWaalsContact O-CG 3.26Å; K185-M189 WeakPolarHBondContact O-CG 3.46Å; K185-M189 PolarHBondContact O-N 3.22Å |
| 186 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V181 S182 R183 K188 M189 L190 I200 T213 | V181-A186 HydrophobicContact CG2-CB 4.02Å; S182-A186 PolarHBondContact O-N 3.08Å; R183-A186 PolarHBondContact O-N 3.36Å; A186-K188 PolarHBondContact O-N 3.13Å; A186-M189 PolarHBondContact O-N 2.66Å; A186-M189 VanDerWaalsContact O-N 3.14Å; A186-L190 WeakPolarHBondContact O-CG 3.41Å; A186-L190 PolarHBondContact O-N 2.66Å; A186-I200 HydrophobicContact CB-CB 4.41Å; A186-I200 HydrophobicContact CB-CD1 4.18Å; A186-I200 HydrophobicContact CB-CG2 3.99Å; A186-T213 HydrophobicContact CB-CG2 4.13Å |
| 187 | E | 94.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -38.5 | 174.5 | -71.5 | 173.5 | 170.8 | 0 | 0 | 111.3 | R183 K191 T213 M224 | R183-E187 HydrophobicContact CG-CG 4.41Å; R183-E187 IonicContact CZ-OE1 3.02Å; R183-E187 VanDerWaalsContact CZ-OE1 3.3Å; R183-E187 IonicContact NE-OE1 3.66Å; R183-E187 PolarHBondContact NE-OE1 3.02Å; R183-E187 IonicContact NH2-OE1 2.74Å; R183-E187 PolarHBondContact NH2-OE1 3.02Å; R183-E187 WeakPolarHBondContact O-CG 3.34Å; R183-E187 PolarHBondContact O-N 3.15Å; E187-K191 VanDerWaalsContact O-CB 3.3Å; E187-K191 WeakPolarHBondContact O-CB 3.15Å; E187-K191 PolarHBondContact O-N 3.22Å; E187-T213 HydrophobicContact CG-CG2 3.69Å; E187-M224 HydrophobicContact CB-CG 4.47Å; E187-M224 HydrophobicContact CG-CB 4.33Å; E187-M224 HydrophobicContact CG-CG 4.32Å; E187-M224 WeakPolarHBondContact O-CE 3.31Å |
| 188 | K | 94.4 | Very high | 92 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 173.2 | -177.6 | 173.8 | -178.3 | 177.2 | 0 | 112.4 | Q184 K185 A186 L190 K191 E192 | Q184-K188 VanDerWaalsContact O-CB 3.25Å; Q184-K188 WeakPolarHBondContact O-CB 3.38Å; Q184-K188 PolarHBondContact O-N 2.79Å; K185-K188 PolarHBondContact O-N 3.27Å; A186-K188 PolarHBondContact O-N 3.13Å; K188-L190 PolarHBondContact O-N 2.93Å; K188-K191 PolarHBondContact O-N 2.87Å; K188-K191 VanDerWaalsContact O-N 3.08Å; K188-E192 WeakPolarHBondContact CE-OE1 3.21Å; K188-E192 WeakPolarHBondContact CE-OE2 3.42Å; K188-E192 HydrophobicContact CG-CG 4.23Å; K188-E192 WeakPolarHBondContact CG-OE2 3.34Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 WeakPolarHBondContact O-CG 3.45Å; K188-E192 PolarHBondContact O-N 2.63Å |
| 189 | M | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 179.1 | -76.6 | 165.7 | 63.3 | 0 | 0 | 112.3 | F179 V181 K185 A186 K191 E192 N193 I200 Y267 | F179-M189 HydrophobicContact CB-CE 4.44Å; F179-M189 HydrophobicContact CD1-CE 3.91Å; F179-M189 HydrophobicContact CD2-CE 4.32Å; F179-M189 HydrophobicContact CE1-CE 4.28Å; F179-M189 HydrophobicContact CG-CE 3.94Å; V181-M189 HydrophobicContact CG1-SD 4.29Å; V181-M189 HydrophobicContact CG2-SD 4.28Å; K185-M189 HydrophobicContact CD-CG 4.38Å; K185-M189 HydrophobicContact CD-SD 4.33Å; K185-M189 HydrophobicContact CG-SD 4.07Å; K185-M189 WeakPolarHBondContact O-CB 3.48Å; K185-M189 VanDerWaalsContact O-CG 3.26Å; K185-M189 WeakPolarHBondContact O-CG 3.46Å; K185-M189 PolarHBondContact O-N 3.22Å; A186-M189 PolarHBondContact O-N 2.66Å; A186-M189 VanDerWaalsContact O-N 3.14Å; M189-K191 VanDerWaalsContact C-N 3.27Å; M189-K191 PolarHBondContact O-N 3.26Å; M189-E192 PolarHBondContact O-N 3.06Å; M189-N193 PolarHBondContact O-N 3.12Å; M189-N193 VanDerWaalsContact O-N 3.08Å; M189-N193 PolarHBondContact O-ND2 3.37Å; M189-I200 HydrophobicContact CB-CD1 3.89Å; M189-I200 HydrophobicContact CE-CD1 3.96Å; M189-I200 HydrophobicContact SD-CD1 4.47Å; M189-Y267 HydrophobicContact CB-CE2 4.29Å; M189-Y267 HydrophobicContact CE-CD1 4.15Å; M189-Y267 HydrophobicContact CE-CE1 3.51Å |
| 190 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -25.7 | 176.5 | -65.8 | -174.6 | 0 | 0 | 0 | 113.7 | A186 K188 I200 T213 R215 M224 Y267 | A186-L190 WeakPolarHBondContact O-CG 3.41Å; A186-L190 PolarHBondContact O-N 2.66Å; K188-L190 PolarHBondContact O-N 2.93Å; L190-I200 HydrophobicContact CD2-CD1 3.72Å; L190-I200 HydrophobicContact CD2-CG1 3.79Å; L190-I200 HydrophobicContact CG-CD1 3.87Å; L190-I200 HydrophobicContact CG-CG1 4.27Å; L190-T213 HydrophobicContact CD1-CG2 4.13Å; L190-T213 WeakPolarHBondContact CD1-O 3.33Å; L190-R215 HydrophobicContact CB-CB 4.17Å; L190-R215 HydrophobicContact CD1-CB 4.19Å; L190-R215 WeakPolarHBondContact O-CD 3.38Å; L190-M224 HydrophobicContact CB-CE 3.79Å; L190-M224 HydrophobicContact CB-SD 4.24Å; L190-M224 HydrophobicContact CD1-SD 4.27Å; L190-Y267 HydrophobicContact CD2-CD2 3.59Å; L190-Y267 HydrophobicContact CD2-CE2 4.25Å; L190-Y267 HydrophobicContact CD2-CG 4.25Å |
| 191 | K | 92.6 | Very high | 92.6 | Very high | 160 Ų | 160 | 59.8 Ų | 59.8 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -84 | -34.6 | 178.8 | -174 | 175.9 | 178.7 | -178.9 | 0 | 112.5 | E187 K188 M189 M224 | E187-K191 VanDerWaalsContact O-CB 3.3Å; E187-K191 WeakPolarHBondContact O-CB 3.15Å; E187-K191 PolarHBondContact O-N 3.22Å; K188-K191 PolarHBondContact O-N 2.87Å; K188-K191 VanDerWaalsContact O-N 3.08Å; M189-K191 VanDerWaalsContact C-N 3.27Å; M189-K191 PolarHBondContact O-N 3.26Å; K191-M224 HydrophobicContact CB-CE 3.9Å |
| 192 | E | 92.1 | Very high | 92.7 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86.9 | -28.9 | -175.8 | -71.1 | -179.9 | 154.3 | 0 | 0 | 113.4 | K188 M189 | K188-E192 WeakPolarHBondContact CE-OE1 3.21Å; K188-E192 WeakPolarHBondContact CE-OE2 3.42Å; K188-E192 HydrophobicContact CG-CG 4.23Å; K188-E192 WeakPolarHBondContact CG-OE2 3.34Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 WeakPolarHBondContact O-CG 3.45Å; K188-E192 PolarHBondContact O-N 2.63Å; M189-E192 PolarHBondContact O-N 3.06Å |
| 193 | N | 88.4 | Confident | 92.6 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | trans | -129.5 | 73.2 | -173.9 | -38.8 | -100.8 | 0 | 0 | 0 | 109.1 | M189 E195 Y196 Y267 | M189-N193 PolarHBondContact O-N 3.12Å; M189-N193 VanDerWaalsContact O-N 3.08Å; M189-N193 PolarHBondContact O-ND2 3.37Å; N193-E195 WeakPolarHBondContact CA-OE2 3.48Å; N193-E195 PolarHBondContact O-N 3.48Å; N193-Y196 HydrophobicContact CB-CD2 3.38Å; N193-Y196 HydrophobicContact CB-CE2 3.64Å; N193-Y196 HydrophobicContact CB-CG 3.99Å; N193-Y196 PolarHBondContact O-N 2.81Å; N193-Y267 HydrophobicContact CB-CE2 4.2Å; N193-Y267 PolarHBondContact ND2-OH 3Å | ||
| 194 | T | 88.1 | Confident | 92.3 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.7 | -174.8 | 60.1 | 0 | 0 | 0 | 0 | 113 | R215 | T194-R215 VanDerWaalsContact CG2-CZ 3.44Š|
| 195 | E | 86.9 | Confident | 91.5 | Very high | 128 Ų | 128 | 50.4 Ų | 50.4 | 60% | 0.598 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.9 | 178.7 | 70.1 | -84.2 | -156.3 | 0 | 0 | 114 | N193 | N193-E195 WeakPolarHBondContact CA-OE2 3.48Å; N193-E195 PolarHBondContact O-N 3.48Å |
| 196 | Y | 89.3 | Confident | 90.5 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 28% | 0.275 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.9 | -13.3 | 179.5 | -63.1 | -14.5 | 0 | 0 | 0 | 113.1 | N193 Y267 L268 P270 | N193-Y196 HydrophobicContact CB-CD2 3.38Å; N193-Y196 HydrophobicContact CB-CE2 3.64Å; N193-Y196 HydrophobicContact CB-CG 3.99Å; N193-Y196 PolarHBondContact O-N 2.81Å; Y196-Y267 HydrophobicContact CD2-CE1 4.39Å; Y196-Y267 HydrophobicContact CD2-CE2 4.31Å; Y196-Y267 AromaticContact CD2-CZ 3.87Å; Y196-Y267 CarbonylContact O-C 3.57Å; Y196-Y267 VanDerWaalsContact O-CA 3.26Å; Y196-Y267 WeakPolarHBondContact O-CA 3.05Å; Y196-L268 WeakPolarHBondContact CB-O 3.22Å; Y196-L268 PolarHBondContact O-N 3.08Å; Y196-P270 HydrophobicContact CD1-CG 3.95Å; Y196-P270 VanDerWaalsContact CE1-CD 3.46Å; Y196-P270 HydrophobicContact CE1-CG 3.7Å |
| 197 | G | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | 132.7 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q265 | G197-Q265 CarbonylContact C-O 3.49Å; G197-Q265 WeakPolarHBondContact CA-O 3.45Å | ||
| 198 | N | 93.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -128.8 | 9.2 | -171.9 | 68.1 | 7 | 0 | 0 | 0 | 114.2 | L214 R215 R263 L264 Q265 | N198-L214 CarbonylContact O-C 3.51Å; N198-L214 WeakPolarHBondContact O-CA 3.41Å; N198-L214 WeakPolarHBondContact O-CB 3.21Å; N198-R215 HydrophobicContact CB-CB 4.24Å; N198-R215 PolarHBondContact O-N 2.71Å; N198-R263 PolarHBondContact ND2-O 3.39Å; N198-L264 WeakPolarHBondContact OD1-CA 3.42Å; N198-L264 WeakPolarHBondContact OD1-CD2 3.32Å; N198-Q265 PolarHBondContact N-O 2.88Å; N198-Q265 PolarHBondContact OD1-N 3.21Å; N198-Q265 PolarHBondContact OD1-O 2.88Å |
| 199 | I | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.5 | 170.4 | -174.9 | 172 | 0 | 0 | 0 | 112.1 | I212 L214 L253 F256 L264 Q265 Y267 | I199-I212 HydrophobicContact CD1-CD1 4.27Å; I199-I212 HydrophobicContact CD1-CG2 3.68Å; I199-I212 HydrophobicContact CG1-CG2 3.8Å; I199-L214 HydrophobicContact CB-CB 4.12Å; I199-L214 HydrophobicContact CD1-CD2 4.38Å; I199-L214 HydrophobicContact CG1-CB 4.12Å; I199-L253 HydrophobicContact CD1-CD2 3.89Å; I199-L253 HydrophobicContact CG1-CD2 4.22Å; I199-F256 HydrophobicContact CD1-CB 3.87Å; I199-F256 HydrophobicContact CD1-CG 4.22Å; I199-L264 HydrophobicContact CD1-CD1 4.33Å; I199-L264 HydrophobicContact CG2-CB 4.34Å; I199-Q265 WeakPolarHBondContact CG2-O 3.39Å; I199-Q265 PolarHBondContact N-O 2.86Å; I199-Y267 WeakPolarHBondContact O-CB 3.5Å; I199-Y267 PolarHBondContact O-N 3.41Å |
| 200 | I | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | 174.8 | -75.4 | 171.3 | 0 | 0 | 0 | 109.1 | F179 A186 M189 L190 R202 I212 T213 Y267 | F179-I200 HydrophobicContact CB-CG2 4.31Å; F179-I200 HydrophobicContact CD2-CG1 4.18Å; F179-I200 HydrophobicContact CD2-CG2 4.12Å; A186-I200 HydrophobicContact CB-CB 4.41Å; A186-I200 HydrophobicContact CB-CD1 4.18Å; A186-I200 HydrophobicContact CB-CG2 3.99Å; M189-I200 HydrophobicContact CB-CD1 3.89Å; M189-I200 HydrophobicContact CE-CD1 3.96Å; M189-I200 HydrophobicContact SD-CD1 4.47Å; L190-I200 HydrophobicContact CD2-CD1 3.72Å; L190-I200 HydrophobicContact CD2-CG1 3.79Å; L190-I200 HydrophobicContact CG-CD1 3.87Å; L190-I200 HydrophobicContact CG-CG1 4.27Å; I200-R202 HydrophobicContact CG2-CB 4.3Å; I200-I212 WeakPolarHBondContact O-CA 3.34Å; I200-T213 PolarHBondContact N-O 3.27Å; I200-T213 PolarHBondContact O-N 2.83Å; I200-Y267 HydrophobicContact CD1-CD1 4.16Å; I200-Y267 HydrophobicContact CD1-CD2 4.2Å; I200-Y267 HydrophobicContact CD1-CG 3.94Å; I200-Y267 VanDerWaalsContact CG1-CB 3.47Å; I200-Y267 HydrophobicContact CG1-CD1 4.2Å; I200-Y267 HydrophobicContact CG1-CD2 4.35Å; I200-Y267 HydrophobicContact CG1-CG 3.79Å |
| 201 | L | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 140.6 | 161.9 | -174.6 | 70.3 | 0 | 0 | 0 | 108.9 | P175 C177 F178 F179 I212 L249 L253 | P175-L201 HydrophobicContact CG-CD2 3.51Å; C177-L201 PolarHBondContact O-N 2.61Å; F178-L201 CarbonylContact C-O 3.57Å; F178-L201 VanDerWaalsContact CA-O 3.31Å; F178-L201 WeakPolarHBondContact CA-O 3.47Å; F178-L201 HydrophobicContact CB-CD2 4.42Å; F178-L201 HydrophobicContact CD2-CB 4.43Å; F178-L201 HydrophobicContact CD2-CD2 4.03Å; F178-L201 HydrophobicContact CD2-CG 3.99Å; F179-L201 PolarHBondContact N-O 3.48Å; L201-I212 HydrophobicContact CD1-CD1 4.21Å; L201-I212 HydrophobicContact CD1-CG1 3.58Å; L201-L249 HydrophobicContact CD2-CB 3.98Å; L201-L249 HydrophobicContact CD2-CD1 4.28Å; L201-L249 HydrophobicContact CD2-CD2 4.26Å; L201-L249 HydrophobicContact CD2-CG 4.4Å; L201-L253 HydrophobicContact CB-CD2 4.45Å |
| 202 | R | 93.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164.4 | -178.6 | 56.2 | 168.7 | -174.6 | 81.9 | 6 | 111.2 | F179 V181 I200 A211 T213 S226 | F179-R202 WeakPolarHBondContact O-CA 3.3Å; F179-R202 WeakPolarHBondContact O-CB 3.35Å; V181-R202 HydrophobicContact CG2-CB 4.44Å; V181-R202 WeakPolarHBondContact O-CD 3.44Å; I200-R202 HydrophobicContact CG2-CB 4.3Å; R202-A211 HydrophobicContact CG-CB 4.42Å; R202-A211 VanDerWaalsContact CG-O 3.22Å; R202-A211 WeakPolarHBondContact CG-O 3.47Å; R202-A211 PolarHBondContact N-O 3.44Å; R202-A211 PolarHBondContact O-N 3.26Å; R202-A211 VanDerWaalsContact O-O 3.1Å; R202-T213 PolarHBondContact NE-OG1 3.07Å; R202-T213 PolarHBondContact NH2-OG1 3.23Å; R202-S226 PolarHBondContact NH2-OG 2.71Å |
| 203 | P | 91.3 | Very high | 88.1 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 147.7 | 163.7 | 25.6 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 204 | S | 87 | Confident | 88.4 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | trans | -78.5 | 166.7 | 168 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | D206 N207 N209 | S204-D206 WeakPolarHBondContact CB-OD1 3.3Å; S204-D206 PolarHBondContact O-N 3.1Å; S204-D206 PolarHBondContact OG-OD1 3.05Å; S204-N207 PolarHBondContact O-N 3.33Å; S204-N207 PolarHBondContact O-OD1 3.15Å; S204-N209 VanDerWaalsContact CB-O 3.25Å; S204-N209 WeakPolarHBondContact CB-O 3.34Å; S204-N209 PolarHBondContact N-O 3.04Å | ||
| 205 | T | 77.4 | Confident | 88.7 | Confident | 129 Ų | 129 | 39.9 Ų | 39.9 | 79% | 0.791 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.4 | -174.7 | -45.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 206 | D | 72.1 | Confident | 88.9 | Confident | 77 Ų | 77 | 36.1 Ų | 36.1 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.3 | 175.3 | 52.4 | -16.2 | 0 | 0 | 0 | 113.6 | S204 T208 N209 | S204-D206 WeakPolarHBondContact CB-OD1 3.3Å; S204-D206 PolarHBondContact O-N 3.1Å; S204-D206 PolarHBondContact OG-OD1 3.05Å; D206-T208 PolarHBondContact O-N 3.4Å; D206-T208 PolarHBondContact OD2-OG1 2.92Å; D206-N209 PolarHBondContact OD2-ND2 2.93Å |
| 207 | N | 65.1 | Low | 88.8 | Confident | 136 Ų | 136 | 36.8 Ų | 36.8 | 73% | 0.727 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 56.7 | -6.9 | -178.2 | -67 | -25.3 | 0 | 0 | 0 | 116.7 | S204 | S204-N207 PolarHBondContact O-N 3.33Å; S204-N207 PolarHBondContact O-OD1 3.15Å |
| 208 | T | 74.7 | Confident | 88.4 | Confident | 98 Ų | 98 | 40 Ų | 40 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -87.6 | -30.5 | 173.5 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | D206 | D206-T208 PolarHBondContact O-N 3.4Å; D206-T208 PolarHBondContact OD2-OG1 2.92Å |
| 209 | N | 88.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -111.8 | 173.5 | -176.6 | -70.1 | -61.1 | 0 | 0 | 0 | 111.6 | S204 D206 L230 S231 | S204-N209 VanDerWaalsContact CB-O 3.25Å; S204-N209 WeakPolarHBondContact CB-O 3.34Å; S204-N209 PolarHBondContact N-O 3.04Å; D206-N209 PolarHBondContact OD2-ND2 2.93Å; N209-L230 HydrophobicContact CB-CD2 4.41Å; N209-L230 WeakPolarHBondContact OD1-CA 3.27Å; N209-S231 PolarHBondContact OD1-N 3.22Å |
| 210 | Y | 92.8 | Very high | 87.3 | Confident | 57 Ų | 57 | 52 Ų | 52 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 163.5 | 177.7 | -64.4 | -91.9 | 0 | 0 | 0 | 110.8 | F178 V229 F236 L249 | F178-Y210 HydrophobicContact CD2-CE1 4.48Å; F178-Y210 AromaticContact CE2-CD1 3.92Å; F178-Y210 HydrophobicContact CE2-CD1 3.92Å; F178-Y210 AromaticContact CE2-CE1 3.75Å; F178-Y210 HydrophobicContact CE2-CE1 3.75Å; F178-Y210 HydrophobicContact CZ-CE1 4.34Å; Y210-V229 CarbonylContact C-O 3.59Å; Y210-V229 PolarHBondContact N-O 3.27Å; Y210-V229 CarbonylContact O-C 3.52Å; Y210-V229 PolarHBondContact O-N 3.18Å; Y210-V229 VanDerWaalsContact O-O 3.05Å; Y210-F236 HydrophobicContact CD2-CD1 4.29Å; Y210-F236 AromaticContact CD2-CE1 3.83Å; Y210-F236 HydrophobicContact CD2-CE1 3.83Å; Y210-F236 AromaticContact CE2-CE1 3.8Å; Y210-F236 HydrophobicContact CE2-CE1 3.8Å; Y210-L249 HydrophobicContact CD1-CD1 3.97Å; Y210-L249 HydrophobicContact CD1-CD2 4.09Å; Y210-L249 HydrophobicContact CD2-CD1 4.39Å; Y210-L249 HydrophobicContact CD2-CD2 3.78Å; Y210-L249 HydrophobicContact CE1-CD1 3.59Å; Y210-L249 HydrophobicContact CE1-CD2 4.46Å; Y210-L249 HydrophobicContact CE2-CD1 4.06Å; Y210-L249 HydrophobicContact CE2-CD2 4.19Å; Y210-L249 HydrophobicContact CG-CD1 4.36Å; Y210-L249 HydrophobicContact CG-CD2 3.73Å |
| 211 | A | 93.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 143.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R202 Y227 | R202-A211 HydrophobicContact CG-CB 4.42Å; R202-A211 VanDerWaalsContact CG-O 3.22Å; R202-A211 WeakPolarHBondContact CG-O 3.47Å; R202-A211 PolarHBondContact N-O 3.44Å; R202-A211 PolarHBondContact O-N 3.26Å; R202-A211 VanDerWaalsContact O-O 3.1Å; A211-Y227 CarbonylContact C-O 3.58Å; A211-Y227 VanDerWaalsContact CA-O 3.26Å; A211-Y227 WeakPolarHBondContact CA-O 3.25Å; A211-Y227 WeakPolarHBondContact CB-O 3.35Å |
| 212 | I | 95 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.5 | 168.8 | -81.2 | 175.9 | 0 | 0 | 0 | 108.7 | I199 I200 L201 L214 S226 Y227 V229 V252 L253 F256 | I199-I212 HydrophobicContact CD1-CD1 4.27Å; I199-I212 HydrophobicContact CD1-CG2 3.68Å; I199-I212 HydrophobicContact CG1-CG2 3.8Å; I200-I212 WeakPolarHBondContact O-CA 3.34Å; L201-I212 HydrophobicContact CD1-CD1 4.21Å; L201-I212 HydrophobicContact CD1-CG1 3.58Å; I212-L214 HydrophobicContact CG2-CD2 4.08Å; I212-S226 CarbonylContact O-C 3.48Å; I212-S226 WeakPolarHBondContact O-CA 3.25Å; I212-S226 WeakPolarHBondContact O-CB 3.37Å; I212-S226 PolarHBondContact O-OG 3.22Å; I212-Y227 HydrophobicContact CG2-CD2 4.47Å; I212-Y227 PolarHBondContact N-O 3.11Å; I212-Y227 PolarHBondContact O-N 2.87Å; I212-V229 HydrophobicContact CG1-CG2 4.41Å; I212-V252 HydrophobicContact CD1-CG1 3.44Å; I212-V252 VanDerWaalsContact CD1-CG1 3.44Å; I212-V252 HydrophobicContact CG1-CG1 4.48Å; I212-L253 HydrophobicContact CD1-CD2 4.04Å; I212-F256 HydrophobicContact CB-CE2 4.44Å; I212-F256 HydrophobicContact CD1-CD2 3.44Å; I212-F256 VanDerWaalsContact CD1-CD2 3.44Å; I212-F256 HydrophobicContact CD1-CE2 3.56Å; I212-F256 HydrophobicContact CD1-CG 4.4Å; I212-F256 HydrophobicContact CG2-CE2 4.37Å; I212-F256 HydrophobicContact CG2-CZ 4.46Å |
| 213 | T | 95.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.7 | 170.7 | -64.4 | 0 | 0 | 0 | 0 | 107.7 | A186 E187 L190 I200 R202 K225 S226 | A186-T213 HydrophobicContact CB-CG2 4.13Å; E187-T213 HydrophobicContact CG-CG2 3.69Å; L190-T213 HydrophobicContact CD1-CG2 4.13Å; L190-T213 WeakPolarHBondContact CD1-O 3.33Å; I200-T213 PolarHBondContact N-O 3.27Å; I200-T213 PolarHBondContact O-N 2.83Å; R202-T213 PolarHBondContact NE-OG1 3.07Å; R202-T213 PolarHBondContact NH2-OG1 3.23Å; T213-K225 WeakPolarHBondContact CA-O 3.41Å; T213-S226 PolarHBondContact OG1-OG 3.04Å |
| 214 | L | 95 | Very high | 86.6 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.2 | -174.8 | 63.5 | 83.6 | 0 | 0 | 0 | 112.7 | N198 I199 I212 Q216 M224 K225 Y227 F256 L264 | N198-L214 CarbonylContact O-C 3.51Å; N198-L214 WeakPolarHBondContact O-CA 3.41Å; N198-L214 WeakPolarHBondContact O-CB 3.21Å; I199-L214 HydrophobicContact CB-CB 4.12Å; I199-L214 HydrophobicContact CD1-CD2 4.38Å; I199-L214 HydrophobicContact CG1-CB 4.12Å; I212-L214 HydrophobicContact CG2-CD2 4.08Å; L214-Q216 HydrophobicContact CD1-CG 3.49Å; L214-Q216 VanDerWaalsContact CD1-CG 3.49Å; L214-M224 WeakPolarHBondContact O-CA 3.28Å; L214-K225 HydrophobicContact CD1-CB 3.9Å; L214-K225 HydrophobicContact CD1-CG 4.48Å; L214-K225 HydrophobicContact CG-CB 4.3Å; L214-K225 PolarHBondContact N-O 3.2Å; L214-K225 PolarHBondContact O-N 3.09Å; L214-Y227 HydrophobicContact CD1-CE2 4.44Å; L214-Y227 HydrophobicContact CD2-CD2 4.02Å; L214-Y227 HydrophobicContact CD2-CE2 3.7Å; L214-Y227 HydrophobicContact CG-CD2 4.48Å; L214-Y227 HydrophobicContact CG-CE2 4.1Å; L214-F256 HydrophobicContact CD2-CD1 3.9Å; L214-F256 HydrophobicContact CD2-CE1 4.06Å; L214-L264 HydrophobicContact CB-CD2 4.29Å; L214-L264 HydrophobicContact CD1-CD2 4.4Å; L214-L264 HydrophobicContact CD2-CD1 3.77Å |
| 215 | R | 94.4 | Very high | 86.8 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 12% | 0.121 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.9 | 179.3 | 176.3 | 177.4 | 167.7 | -82 | -5.4 | 109 | L190 T194 N198 D217 M224 | L190-R215 HydrophobicContact CB-CB 4.17Å; L190-R215 HydrophobicContact CD1-CB 4.19Å; L190-R215 WeakPolarHBondContact O-CD 3.38Å; T194-R215 VanDerWaalsContact CG2-CZ 3.44Å; N198-R215 HydrophobicContact CB-CB 4.24Å; N198-R215 PolarHBondContact O-N 2.71Å; R215-D217 VanDerWaalsContact CZ-CG 3.5Å; R215-D217 IonicContact CZ-OD1 3.9Å; R215-D217 IonicContact CZ-OD2 2.61Å; R215-D217 IonicContact NE-OD1 3.33Å; R215-D217 IonicContact NH1-OD1 2.79Å; R215-D217 PolarHBondContact NH1-OD1 3.4Å; R215-D217 IonicContact NH1-OD2 3.73Å; R215-D217 PolarHBondContact NH1-OD2 3.27Å; R215-D217 IonicContact NH2-OD1 2.71Å; R215-D217 PolarHBondContact NH2-OD1 2.96Å; R215-D217 IonicContact NH2-OD2 3.45Å; R215-D217 PolarHBondContact NH2-OD2 2.9Å; R215-M224 HydrophobicContact CB-CE 3.84Å; R215-M224 HydrophobicContact CB-SD 3.7Å; R215-M224 HydrophobicContact CG-CE 3.84Å; R215-M224 HydrophobicContact CG-SD 4.2Å |
| 216 | Q | 90.5 | Very high | 87.6 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.3 | 174.7 | -60 | -168.4 | -60.8 | 0 | 0 | 110.2 | L214 N218 P222 V223 | L214-Q216 HydrophobicContact CD1-CG 3.49Å; L214-Q216 VanDerWaalsContact CD1-CG 3.49Å; Q216-N218 PolarHBondContact O-N 3.14Å; Q216-P222 WeakPolarHBondContact O-CA 3.49Å; Q216-V223 PolarHBondContact N-O 3.01Å; Q216-V223 PolarHBondContact O-N 2.85Å |
| 217 | D | 86.5 | Confident | 88.6 | Confident | 84 Ų | 84 | 59 Ų | 59 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 107.3 | 175.5 | -71.4 | -35.6 | 0 | 0 | 0 | 110.2 | R215 P222 | R215-D217 VanDerWaalsContact CZ-CG 3.5Å; R215-D217 IonicContact CZ-OD1 3.9Å; R215-D217 IonicContact CZ-OD2 2.61Å; R215-D217 IonicContact NE-OD1 3.33Å; R215-D217 IonicContact NH1-OD1 2.79Å; R215-D217 PolarHBondContact NH1-OD1 3.4Å; R215-D217 IonicContact NH1-OD2 3.73Å; R215-D217 PolarHBondContact NH1-OD2 3.27Å; R215-D217 IonicContact NH2-OD1 2.71Å; R215-D217 PolarHBondContact NH2-OD1 2.96Å; R215-D217 IonicContact NH2-OD2 3.45Å; R215-D217 PolarHBondContact NH2-OD2 2.9Å; D217-P222 WeakPolarHBondContact OD1-CB 3.31Å |
| 218 | N | 84.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 158.5 | 176.4 | -60.8 | -44.9 | 0 | 0 | 0 | 110 | Q216 S220 G221 V223 | Q216-N218 PolarHBondContact O-N 3.14Å; N218-S220 PolarHBondContact O-N 3.47Å; N218-S220 VanDerWaalsContact O-N 3.12Å; N218-G221 PolarHBondContact N-O 3.48Å; N218-G221 CarbonylContact O-C 3.59Å; N218-G221 PolarHBondContact O-N 3.36Å; N218-V223 WeakPolarHBondContact ND2-CG2 3.48Å |
| 219 | P | 79.6 | Confident | 90.8 | Very high | 145 Ų | 145 | 52.9 Ų | 52.9 | 94% | 0.942 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.8 | 176 | -26.6 | 35.7 | 0 | 0 | 0 | 114.2 | G221 | P219-G221 VanDerWaalsContact C-N 3.29Å; P219-G221 PolarHBondContact O-N 3.43Å |
| 220 | S | 85.3 | Confident | 90.9 | Very high | 131 Ų | 131 | 54.7 Ų | 54.7 | 92% | 0.916 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.5 | 176.2 | -45 | 0 | 0 | 0 | 0 | 114.3 | N218 | N218-S220 PolarHBondContact O-N 3.47Å; N218-S220 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 85.6 | Confident | 90.6 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | 168.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N218 P219 | N218-G221 PolarHBondContact N-O 3.48Å; N218-G221 CarbonylContact O-C 3.59Å; N218-G221 PolarHBondContact O-N 3.36Å; P219-G221 VanDerWaalsContact C-N 3.29Å; P219-G221 PolarHBondContact O-N 3.43Å |
| 222 | P | 88.8 | Confident | 90.2 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.1 | 179.6 | 28.6 | -34.5 | 0 | 0 | 0 | 111.8 | Q216 D217 | Q216-P222 WeakPolarHBondContact O-CA 3.49Å; D217-P222 WeakPolarHBondContact OD1-CB 3.31Å |
| 223 | V | 92.4 | Very high | 89.3 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.7 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 110 | Q216 N218 K225 | Q216-V223 PolarHBondContact N-O 3.01Å; Q216-V223 PolarHBondContact O-N 2.85Å; N218-V223 WeakPolarHBondContact ND2-CG2 3.48Å; V223-K225 HydrophobicContact CG1-CG 4.27Å |
| 224 | M | 92.7 | Very high | 88.4 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.7 | 170.1 | -67.2 | -64.7 | 174.6 | 0 | 0 | 110.2 | E187 L190 K191 L214 R215 | E187-M224 HydrophobicContact CB-CG 4.47Å; E187-M224 HydrophobicContact CG-CB 4.33Å; E187-M224 HydrophobicContact CG-CG 4.32Å; E187-M224 WeakPolarHBondContact O-CE 3.31Å; L190-M224 HydrophobicContact CB-CE 3.79Å; L190-M224 HydrophobicContact CB-SD 4.24Å; L190-M224 HydrophobicContact CD1-SD 4.27Å; K191-M224 HydrophobicContact CB-CE 3.9Å; L214-M224 WeakPolarHBondContact O-CA 3.28Å; R215-M224 HydrophobicContact CB-CE 3.84Å; R215-M224 HydrophobicContact CB-SD 3.7Å; R215-M224 HydrophobicContact CG-CE 3.84Å; R215-M224 HydrophobicContact CG-SD 4.2Å |
| 225 | K | 93.2 | Very high | 88 | Confident | 79 Ų | 79 | 72.2 Ų | 72.2 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.5 | 170.6 | -62.9 | -175.4 | -179.8 | 166.4 | 0 | 109.5 | T213 L214 V223 Y227 | T213-K225 WeakPolarHBondContact CA-O 3.41Å; L214-K225 HydrophobicContact CD1-CB 3.9Å; L214-K225 HydrophobicContact CD1-CG 4.48Å; L214-K225 HydrophobicContact CG-CB 4.3Å; L214-K225 PolarHBondContact N-O 3.2Å; L214-K225 PolarHBondContact O-N 3.09Å; V223-K225 HydrophobicContact CG1-CG 4.27Å; K225-Y227 HydrophobicContact CB-CE2 3.77Å; K225-Y227 HydrophobicContact CD-CE2 4.41Å; K225-Y227 WeakPolarHBondContact CD-OH 3.27Å |
| 226 | S | 93.3 | Very high | 87.8 | Confident | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.1 | 172.4 | -160.7 | 0 | 0 | 0 | 0 | 110.1 | R202 I212 T213 | R202-S226 PolarHBondContact NH2-OG 2.71Å; I212-S226 CarbonylContact O-C 3.48Å; I212-S226 WeakPolarHBondContact O-CA 3.25Å; I212-S226 WeakPolarHBondContact O-CB 3.37Å; I212-S226 PolarHBondContact O-OG 3.22Å; T213-S226 PolarHBondContact OG1-OG 3.04Å |
| 227 | Y | 93.3 | Very high | 87.8 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.3 | -176.4 | -60.2 | -84.6 | 0 | 0 | 0 | 108.4 | A211 I212 L214 K225 L240 F256 | A211-Y227 CarbonylContact C-O 3.58Å; A211-Y227 VanDerWaalsContact CA-O 3.26Å; A211-Y227 WeakPolarHBondContact CA-O 3.25Å; A211-Y227 WeakPolarHBondContact CB-O 3.35Å; I212-Y227 HydrophobicContact CG2-CD2 4.47Å; I212-Y227 PolarHBondContact N-O 3.11Å; I212-Y227 PolarHBondContact O-N 2.87Å; L214-Y227 HydrophobicContact CD1-CE2 4.44Å; L214-Y227 HydrophobicContact CD2-CD2 4.02Å; L214-Y227 HydrophobicContact CD2-CE2 3.7Å; L214-Y227 HydrophobicContact CG-CD2 4.48Å; L214-Y227 HydrophobicContact CG-CE2 4.1Å; K225-Y227 HydrophobicContact CB-CE2 3.77Å; K225-Y227 HydrophobicContact CD-CE2 4.41Å; K225-Y227 WeakPolarHBondContact CD-OH 3.27Å; Y227-L240 HydrophobicContact CD1-CD2 3.33Å; Y227-L240 HydrophobicContact CE1-CD2 3.58Å; Y227-L240 HydrophobicContact CG-CD2 4.11Å; Y227-F256 HydrophobicContact CD1-CZ 4.37Å; Y227-F256 AromaticContact CD2-CE1 3.63Å; Y227-F256 HydrophobicContact CD2-CE1 3.63Å; Y227-F256 AromaticContact CD2-CZ 3.73Å; Y227-F256 HydrophobicContact CD2-CZ 3.73Å; Y227-F256 AromaticContact CE2-CE1 3.83Å; Y227-F256 HydrophobicContact CE2-CE1 3.83Å; Y227-F256 HydrophobicContact CE2-CZ 4.37Å; Y227-F256 HydrophobicContact CG-CE1 4.01Å; Y227-F256 AromaticContact CG-CZ 3.72Å; Y227-F256 HydrophobicContact CG-CZ 3.72Å |
| 228 | K | 92.3 | Very high | 88.2 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 151.6 | 174.6 | -64.2 | 159.3 | 175.2 | 173.4 | 0 | 110.1 | E239 | K228-E239 HydrophobicContact CB-CB 4.02Å; K228-E239 VanDerWaalsContact CD-CD 3.49Å; K228-E239 WeakPolarHBondContact CD-OE2 3.34Å; K228-E239 IonicContact NZ-OE1 2.66Å; K228-E239 PolarHBondContact NZ-OE1 2.91Å; K228-E239 IonicContact NZ-OE2 2.63Å; K228-E239 PolarHBondContact NZ-OE2 2.95Å; K228-E239 PolarHBondContact O-N 3.46Å |
| 229 | V | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 101.6 | -178.9 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | Y210 I212 F236 V237 L249 V252 | Y210-V229 CarbonylContact C-O 3.59Å; Y210-V229 PolarHBondContact N-O 3.27Å; Y210-V229 CarbonylContact O-C 3.52Å; Y210-V229 PolarHBondContact O-N 3.18Å; Y210-V229 VanDerWaalsContact O-O 3.05Å; I212-V229 HydrophobicContact CG1-CG2 4.41Å; V229-F236 HydrophobicContact CG1-CB 3.92Å; V229-F236 HydrophobicContact CG1-CD1 4.18Å; V229-F236 HydrophobicContact CG1-CG 4.37Å; V229-V237 CarbonylContact C-O 3.53Å; V229-V237 WeakPolarHBondContact CA-O 3.12Å; V229-L249 HydrophobicContact CG1-CD2 4.41Å; V229-V252 HydrophobicContact CG1-CG1 4.04Å; V229-V252 HydrophobicContact CG1-CG2 3.74Å; V229-V252 HydrophobicContact CG2-CG1 3.73Å |
| 230 | L | 90.8 | Very high | 88.9 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.6 | -176.8 | -58.6 | 175.6 | 0 | 0 | 0 | 109.6 | N209 F236 V237 | N209-L230 HydrophobicContact CB-CD2 4.41Å; N209-L230 WeakPolarHBondContact OD1-CA 3.27Å; L230-F236 CarbonylContact O-C 3.52Å; L230-F236 VanDerWaalsContact O-CA 3.27Å; L230-F236 WeakPolarHBondContact O-CA 3.35Å; L230-V237 HydrophobicContact CB-CB 4.44Å; L230-V237 PolarHBondContact N-O 2.92Å; L230-V237 PolarHBondContact O-N 2.83Å |
| 231 | S | 87.1 | Confident | 88.8 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 42% | 0.42 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.2 | 171.5 | -159.6 | 0 | 0 | 0 | 0 | 109.3 | N209 F236 | N209-S231 PolarHBondContact OD1-N 3.22Å; S231-F236 WeakPolarHBondContact OG-CE1 3.26Å |
| 232 | I | 86.8 | Confident | 88.7 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.6 | 174.7 | 61.9 | 162.4 | 0 | 0 | 0 | 109.9 | T234 G235 V237 T245 | I232-T234 PolarHBondContact O-N 2.78Å; I232-G235 VanDerWaalsContact CG1-O 3.25Å; I232-G235 WeakPolarHBondContact CG1-O 3.45Å; I232-G235 PolarHBondContact N-O 3.18Å; I232-G235 PolarHBondContact O-N 2.77Å; I232-G235 VanDerWaalsContact O-N 3.14Å; I232-V237 HydrophobicContact CD1-CG2 3.77Å; I232-V237 HydrophobicContact CG1-CG2 4.19Å; I232-V237 HydrophobicContact CG2-CG2 4Å; I232-T245 HydrophobicContact CD1-CG2 4.09Å |
| 233 | D | 74.3 | Confident | 88.7 | Confident | 174 Ų | 174 | 68.9 Ų | 68.9 | 93% | 0.93 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.7 | -175 | -56.4 | -31.4 | 0 | 0 | 0 | 114.3 | ||
| 234 | T | 76.6 | Confident | 88.6 | Confident | 120 Ų | 120 | 68 Ų | 68 | 74% | 0.736 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 13.6 | -176.2 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | I232 | I232-T234 PolarHBondContact O-N 2.78Š|
| 235 | G | 86.7 | Confident | 88.6 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.3 | -140.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I232 | I232-G235 VanDerWaalsContact CG1-O 3.25Å; I232-G235 WeakPolarHBondContact CG1-O 3.45Å; I232-G235 PolarHBondContact N-O 3.18Å; I232-G235 PolarHBondContact O-N 2.77Å; I232-G235 VanDerWaalsContact O-N 3.14Å |
| 236 | F | 90.4 | Very high | 88.4 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.8 | -175.7 | -60.1 | -84.5 | 0 | 0 | 0 | 111.9 | Y210 V229 L230 S231 T245 V246 L249 V252 | Y210-F236 HydrophobicContact CD2-CD1 4.29Å; Y210-F236 AromaticContact CD2-CE1 3.83Å; Y210-F236 HydrophobicContact CD2-CE1 3.83Å; Y210-F236 AromaticContact CE2-CE1 3.8Å; Y210-F236 HydrophobicContact CE2-CE1 3.8Å; V229-F236 HydrophobicContact CG1-CB 3.92Å; V229-F236 HydrophobicContact CG1-CD1 4.18Å; V229-F236 HydrophobicContact CG1-CG 4.37Å; L230-F236 CarbonylContact O-C 3.52Å; L230-F236 VanDerWaalsContact O-CA 3.27Å; L230-F236 WeakPolarHBondContact O-CA 3.35Å; S231-F236 WeakPolarHBondContact OG-CE1 3.26Å; F236-T245 CarbonylContact O-C 3.56Å; F236-T245 WeakPolarHBondContact O-CA 3.17Å; F236-V246 HydrophobicContact CB-CG2 4.12Å; F236-V246 PolarHBondContact N-O 3.17Å; F236-V246 PolarHBondContact O-N 2.84Å; F236-L249 HydrophobicContact CD1-CD2 3.67Å; F236-L249 HydrophobicContact CD1-CG 4.43Å; F236-L249 HydrophobicContact CD2-CD2 4.21Å; F236-L249 HydrophobicContact CD2-CG 4.34Å; F236-L249 HydrophobicContact CE1-CD2 3.56Å; F236-L249 HydrophobicContact CE1-CG 3.97Å; F236-L249 HydrophobicContact CE2-CD2 4.12Å; F236-L249 HydrophobicContact CE2-CG 3.87Å; F236-L249 HydrophobicContact CG-CD2 4Å; F236-L249 HydrophobicContact CZ-CD1 4.32Å; F236-L249 HydrophobicContact CZ-CD2 3.8Å; F236-L249 HydrophobicContact CZ-CG 3.66Å; F236-V252 HydrophobicContact CB-CG2 3.86Å; F236-V252 HydrophobicContact CG-CG2 4.34Å |
| 237 | V | 92 | Very high | 88.1 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | V229 L230 I232 P243 V244 T245 | V229-V237 CarbonylContact C-O 3.53Å; V229-V237 WeakPolarHBondContact CA-O 3.12Å; L230-V237 HydrophobicContact CB-CB 4.44Å; L230-V237 PolarHBondContact N-O 2.92Å; L230-V237 PolarHBondContact O-N 2.83Å; I232-V237 HydrophobicContact CD1-CG2 3.77Å; I232-V237 HydrophobicContact CG1-CG2 4.19Å; I232-V237 HydrophobicContact CG2-CG2 4Å; V237-P243 HydrophobicContact CG1-CB 4.09Å; V237-V244 CarbonylContact C-O 3.53Å; V237-V244 WeakPolarHBondContact CA-O 3.4Å; V237-T245 HydrophobicContact CG2-CG2 4.33Å |
| 238 | I | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.3 | 177.8 | -42.7 | -179.2 | 0 | 0 | 0 | 108.8 | L240 P243 V244 V246 V252 H255 F256 | I238-L240 HydrophobicContact CB-CG 4.32Å; I238-L240 HydrophobicContact CG2-CD1 4.11Å; I238-L240 HydrophobicContact CG2-CD2 3.99Å; I238-L240 HydrophobicContact CG2-CG 3.76Å; I238-L240 PolarHBondContact O-N 3.36Å; I238-P243 WeakPolarHBondContact O-CA 3.43Å; I238-V244 PolarHBondContact N-O 3.38Å; I238-V244 PolarHBondContact O-N 3.49Å; I238-V246 HydrophobicContact CD1-CG1 4.44Å; I238-V246 HydrophobicContact CG1-CG2 4.5Å; I238-V252 HydrophobicContact CD1-CB 4.48Å; I238-V252 HydrophobicContact CD1-CG1 3.89Å; I238-V252 HydrophobicContact CG1-CG1 4.07Å; I238-H255 HydrophobicContact CD1-CB 4.07Å; I238-F256 HydrophobicContact CD1-CE2 4.2Å; I238-F256 HydrophobicContact CG2-CE2 3.63Å; I238-F256 HydrophobicContact CG2-CZ 3.8Å |
| 239 | E | 90.1 | Very high | 87.8 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | trans | -78.2 | 84.8 | 179.7 | -164.4 | 178.8 | 133.1 | 0 | 0 | 109.9 | K228 | K228-E239 HydrophobicContact CB-CB 4.02Å; K228-E239 VanDerWaalsContact CD-CD 3.49Å; K228-E239 WeakPolarHBondContact CD-OE2 3.34Å; K228-E239 IonicContact NZ-OE1 2.66Å; K228-E239 PolarHBondContact NZ-OE1 2.91Å; K228-E239 IonicContact NZ-OE2 2.63Å; K228-E239 PolarHBondContact NZ-OE2 2.95Å; K228-E239 PolarHBondContact O-N 3.46Å | ||
| 240 | L | 89.5 | Confident | 87.7 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -113.4 | 174.2 | 172.9 | -55 | 179 | 0 | 0 | 0 | 110.2 | Y227 I238 S242 V244 F256 | Y227-L240 HydrophobicContact CD1-CD2 3.33Å; Y227-L240 HydrophobicContact CE1-CD2 3.58Å; Y227-L240 HydrophobicContact CG-CD2 4.11Å; I238-L240 HydrophobicContact CB-CG 4.32Å; I238-L240 HydrophobicContact CG2-CD1 4.11Å; I238-L240 HydrophobicContact CG2-CD2 3.99Å; I238-L240 HydrophobicContact CG2-CG 3.76Å; I238-L240 PolarHBondContact O-N 3.36Å; L240-S242 WeakPolarHBondContact CB-O 3.37Å; L240-S242 PolarHBondContact O-N 2.88Å; L240-S242 VanDerWaalsContact O-N 3.16Å; L240-V244 HydrophobicContact CD1-CG2 4.3Å; L240-F256 HydrophobicContact CD2-CE1 4.47Å; L240-F256 HydrophobicContact CD2-CZ 4.1Å |
| 241 | N | 81.4 | Confident | 87.6 | Confident | 185 Ų | 185 | 64.2 Ų | 64.2 | 99% | 0.989 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -55.4 | -30.9 | 173 | -67.4 | -9.3 | 0 | 0 | 0 | 112.8 | ||
| 242 | S | 83.4 | Confident | 87.8 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -119.6 | 108.1 | 164.7 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | L240 | L240-S242 WeakPolarHBondContact CB-O 3.37Å; L240-S242 PolarHBondContact O-N 2.88Å; L240-S242 VanDerWaalsContact O-N 3.16Å |
| 243 | P | 89.1 | Confident | 88 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | trans | -58.4 | 139.7 | -179 | -25.6 | 34.9 | 0 | 0 | 0 | 112.3 | V237 I238 | V237-P243 HydrophobicContact CG1-CB 4.09Å; I238-P243 WeakPolarHBondContact O-CA 3.43Å | ||
| 244 | V | 90.4 | Very high | 88.7 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.7 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | V237 I238 L240 V246 | V237-V244 CarbonylContact C-O 3.53Å; V237-V244 WeakPolarHBondContact CA-O 3.4Å; I238-V244 PolarHBondContact N-O 3.38Å; I238-V244 PolarHBondContact O-N 3.49Å; L240-V244 HydrophobicContact CD1-CG2 4.3Å; V244-V246 HydrophobicContact CG1-CG1 4.18Å |
| 245 | T | 92.3 | Very high | 89.4 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 56% | 0.564 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.3 | 178.1 | -53 | 0 | 0 | 0 | 0 | 110.1 | I232 F236 V237 | I232-T245 HydrophobicContact CD1-CG2 4.09Å; F236-T245 CarbonylContact O-C 3.56Å; F236-T245 WeakPolarHBondContact O-CA 3.17Å; V237-T245 HydrophobicContact CG2-CG2 4.33Å |
| 246 | V | 89.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.7 | -178.2 | -63.4 | 0 | 0 | 0 | 0 | 111 | F236 I238 V244 S248 A251 V252 | F236-V246 HydrophobicContact CB-CG2 4.12Å; F236-V246 PolarHBondContact N-O 3.17Å; F236-V246 PolarHBondContact O-N 2.84Å; I238-V246 HydrophobicContact CD1-CG1 4.44Å; I238-V246 HydrophobicContact CG1-CG2 4.5Å; V244-V246 HydrophobicContact CG1-CG1 4.18Å; V246-S248 PolarHBondContact O-N 2.93Å; V246-A251 HydrophobicContact CB-CB 3.97Å; V246-A251 HydrophobicContact CG2-CB 4.48Å; V246-V252 HydrophobicContact CG2-CB 4.17Å; V246-V252 HydrophobicContact CG2-CG2 3.34Å |
| 247 | P | 88.1 | Confident | 89.7 | Confident | 106 Ų | 106 | 49.9 Ų | 49.9 | 69% | 0.688 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -77.5 | -18.8 | -170.8 | 29.7 | -36.7 | 0 | 0 | 0 | 114.9 | A251 | P247-A251 HydrophobicContact CG-CB 4.14Š|
| 248 | S | 90.1 | Very high | 89.5 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -152.1 | 161.9 | -174.2 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | V246 A250 A251 V252 | V246-S248 PolarHBondContact O-N 2.93Å; S248-A250 PolarHBondContact O-N 2.84Å; S248-A251 WeakPolarHBondContact O-CB 3.25Å; S248-A251 PolarHBondContact O-N 2.86Å; S248-A251 VanDerWaalsContact O-N 3.09Å; S248-A251 PolarHBondContact OG-N 2.9Å; S248-A251 VanDerWaalsContact OG-N 3.13Å; S248-V252 WeakPolarHBondContact O-CG2 2.98Å; S248-V252 PolarHBondContact O-N 2.83Å |
| 249 | L | 89 | Confident | 89.1 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -28.6 | 174.2 | -68.4 | 176.5 | 0 | 0 | 0 | 113.3 | P175 L201 Y210 V229 F236 V252 L253 | P175-L249 HydrophobicContact CG-CB 4.44Å; L201-L249 HydrophobicContact CD2-CB 3.98Å; L201-L249 HydrophobicContact CD2-CD1 4.28Å; L201-L249 HydrophobicContact CD2-CD2 4.26Å; L201-L249 HydrophobicContact CD2-CG 4.4Å; Y210-L249 HydrophobicContact CD1-CD1 3.97Å; Y210-L249 HydrophobicContact CD1-CD2 4.09Å; Y210-L249 HydrophobicContact CD2-CD1 4.39Å; Y210-L249 HydrophobicContact CD2-CD2 3.78Å; Y210-L249 HydrophobicContact CE1-CD1 3.59Å; Y210-L249 HydrophobicContact CE1-CD2 4.46Å; Y210-L249 HydrophobicContact CE2-CD1 4.06Å; Y210-L249 HydrophobicContact CE2-CD2 4.19Å; Y210-L249 HydrophobicContact CG-CD1 4.36Å; Y210-L249 HydrophobicContact CG-CD2 3.73Å; V229-L249 HydrophobicContact CG1-CD2 4.41Å; F236-L249 HydrophobicContact CD1-CD2 3.67Å; F236-L249 HydrophobicContact CD1-CG 4.43Å; F236-L249 HydrophobicContact CD2-CD2 4.21Å; F236-L249 HydrophobicContact CD2-CG 4.34Å; F236-L249 HydrophobicContact CE1-CD2 3.56Å; F236-L249 HydrophobicContact CE1-CG 3.97Å; F236-L249 HydrophobicContact CE2-CD2 4.12Å; F236-L249 HydrophobicContact CE2-CG 3.87Å; F236-L249 HydrophobicContact CG-CD2 4Å; F236-L249 HydrophobicContact CZ-CD1 4.32Å; F236-L249 HydrophobicContact CZ-CD2 3.8Å; F236-L249 HydrophobicContact CZ-CG 3.66Å; L249-V252 HydrophobicContact CD2-CG2 4.44Å; L249-V252 WeakPolarHBondContact O-CB 3.39Å; L249-V252 PolarHBondContact O-N 2.86Å; L249-L253 PolarHBondContact O-N 2.83Å |
| 250 | A | 89.8 | Confident | 88.9 | Confident | 36 Ų | 36 | 58 Ų | 58 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S248 V252 L253 D254 | S248-A250 PolarHBondContact O-N 2.84Å; A250-V252 PolarHBondContact O-N 3.5Å; A250-L253 WeakPolarHBondContact O-CA 3.48Å; A250-L253 WeakPolarHBondContact O-CB 3.22Å; A250-L253 PolarHBondContact O-N 2.94Å; A250-D254 PolarHBondContact O-N 2.78Å |
| 251 | A | 89.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -26 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V246 P247 S248 H255 | V246-A251 HydrophobicContact CB-CB 3.97Å; V246-A251 HydrophobicContact CG2-CB 4.48Å; P247-A251 HydrophobicContact CG-CB 4.14Å; S248-A251 WeakPolarHBondContact O-CB 3.25Å; S248-A251 PolarHBondContact O-N 2.86Å; S248-A251 VanDerWaalsContact O-N 3.09Å; S248-A251 PolarHBondContact OG-N 2.9Å; S248-A251 VanDerWaalsContact OG-N 3.13Å; A251-H255 WeakPolarHBondContact O-CB 3.48Å; A251-H255 PolarHBondContact O-N 2.88Å |
| 252 | V | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 168.5 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | I212 V229 F236 I238 V246 S248 L249 A250 F256 | I212-V252 HydrophobicContact CD1-CG1 3.44Å; I212-V252 VanDerWaalsContact CD1-CG1 3.44Å; I212-V252 HydrophobicContact CG1-CG1 4.48Å; V229-V252 HydrophobicContact CG1-CG1 4.04Å; V229-V252 HydrophobicContact CG1-CG2 3.74Å; V229-V252 HydrophobicContact CG2-CG1 3.73Å; F236-V252 HydrophobicContact CB-CG2 3.86Å; F236-V252 HydrophobicContact CG-CG2 4.34Å; I238-V252 HydrophobicContact CD1-CB 4.48Å; I238-V252 HydrophobicContact CD1-CG1 3.89Å; I238-V252 HydrophobicContact CG1-CG1 4.07Å; V246-V252 HydrophobicContact CG2-CB 4.17Å; V246-V252 HydrophobicContact CG2-CG2 3.34Å; S248-V252 WeakPolarHBondContact O-CG2 2.98Å; S248-V252 PolarHBondContact O-N 2.83Å; L249-V252 HydrophobicContact CD2-CG2 4.44Å; L249-V252 WeakPolarHBondContact O-CB 3.39Å; L249-V252 PolarHBondContact O-N 2.86Å; A250-V252 PolarHBondContact O-N 3.5Å; V252-F256 HydrophobicContact CG1-CE2 4.43Å; V252-F256 WeakPolarHBondContact O-CD2 3.48Å; V252-F256 PolarHBondContact O-N 3.2Å |
| 253 | L | 91.6 | Very high | 88.7 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -46.8 | 177.3 | -69 | 167.1 | 0 | 0 | 0 | 111.2 | P175 C177 I199 L201 I212 L249 A250 H255 F256 L257 | P175-L253 HydrophobicContact CB-CD1 3.32Å; P175-L253 HydrophobicContact CG-CD1 3.36Å; P175-L253 HydrophobicContact CG-CG 4.42Å; C177-L253 WeakPolarHBondContact SG-CD1 3.15Å; I199-L253 HydrophobicContact CD1-CD2 3.89Å; I199-L253 HydrophobicContact CG1-CD2 4.22Å; L201-L253 HydrophobicContact CB-CD2 4.45Å; I212-L253 HydrophobicContact CD1-CD2 4.04Å; L249-L253 PolarHBondContact O-N 2.83Å; A250-L253 WeakPolarHBondContact O-CA 3.48Å; A250-L253 WeakPolarHBondContact O-CB 3.22Å; A250-L253 PolarHBondContact O-N 2.94Å; L253-H255 PolarHBondContact O-N 3.4Å; L253-F256 CarbonylContact O-C 3.53Å; L253-F256 WeakPolarHBondContact O-CA 3.42Å; L253-F256 PolarHBondContact O-N 3.34Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 3Å |
| 254 | D | 89.6 | Confident | 88.7 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.6 | -39.5 | 179.6 | -61.1 | -32.1 | 0 | 0 | 0 | 111.5 | A250 L257 M258 | A250-D254 PolarHBondContact O-N 2.78Å; D254-L257 PolarHBondContact O-N 2.92Å; D254-M258 VanDerWaalsContact O-CB 3.25Å; D254-M258 WeakPolarHBondContact O-CB 3.26Å; D254-M258 PolarHBondContact O-N 2.92Å |
| 255 | H | 91.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 171.4 | 174.2 | -87.7 | 0 | 0 | 0 | 112.4 | I238 A251 L253 L257 M258 E259 | I238-H255 HydrophobicContact CD1-CB 4.07Å; A251-H255 WeakPolarHBondContact O-CB 3.48Å; A251-H255 PolarHBondContact O-N 2.88Å; L253-H255 PolarHBondContact O-N 3.4Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.45Å; H255-M258 PolarHBondContact O-N 3.45Å; H255-E259 VanDerWaalsContact O-CB 3.27Å; H255-E259 WeakPolarHBondContact O-CB 3.48Å; H255-E259 VanDerWaalsContact O-CG 3.28Å; H255-E259 WeakPolarHBondContact O-CG 3.44Å; H255-E259 PolarHBondContact O-N 2.94Å |
| 256 | F | 91.6 | Very high | 88.7 | Confident | 11 Ų | 11 | 61 Ų | 61 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 177.4 | -82.8 | -82.1 | 0 | 0 | 0 | 113.3 | I199 I212 L214 Y227 I238 L240 V252 L253 T260 L264 | I199-F256 HydrophobicContact CD1-CB 3.87Å; I199-F256 HydrophobicContact CD1-CG 4.22Å; I212-F256 HydrophobicContact CB-CE2 4.44Å; I212-F256 HydrophobicContact CD1-CD2 3.44Å; I212-F256 VanDerWaalsContact CD1-CD2 3.44Å; I212-F256 HydrophobicContact CD1-CE2 3.56Å; I212-F256 HydrophobicContact CD1-CG 4.4Å; I212-F256 HydrophobicContact CG2-CE2 4.37Å; I212-F256 HydrophobicContact CG2-CZ 4.46Å; L214-F256 HydrophobicContact CD2-CD1 3.9Å; L214-F256 HydrophobicContact CD2-CE1 4.06Å; Y227-F256 HydrophobicContact CD1-CZ 4.37Å; Y227-F256 AromaticContact CD2-CE1 3.63Å; Y227-F256 HydrophobicContact CD2-CE1 3.63Å; Y227-F256 AromaticContact CD2-CZ 3.73Å; Y227-F256 HydrophobicContact CD2-CZ 3.73Å; Y227-F256 AromaticContact CE2-CE1 3.83Å; Y227-F256 HydrophobicContact CE2-CE1 3.83Å; Y227-F256 HydrophobicContact CE2-CZ 4.37Å; Y227-F256 HydrophobicContact CG-CE1 4.01Å; Y227-F256 AromaticContact CG-CZ 3.72Å; Y227-F256 HydrophobicContact CG-CZ 3.72Å; I238-F256 HydrophobicContact CD1-CE2 4.2Å; I238-F256 HydrophobicContact CG2-CE2 3.63Å; I238-F256 HydrophobicContact CG2-CZ 3.8Å; L240-F256 HydrophobicContact CD2-CE1 4.47Å; L240-F256 HydrophobicContact CD2-CZ 4.1Å; V252-F256 HydrophobicContact CG1-CE2 4.43Å; V252-F256 WeakPolarHBondContact O-CD2 3.48Å; V252-F256 PolarHBondContact O-N 3.2Å; L253-F256 CarbonylContact O-C 3.53Å; L253-F256 WeakPolarHBondContact O-CA 3.42Å; L253-F256 PolarHBondContact O-N 3.34Å; F256-T260 WeakPolarHBondContact O-CB 3.12Å; F256-T260 WeakPolarHBondContact O-CG2 3.26Å; F256-T260 PolarHBondContact O-N 2.86Å; F256-T260 PolarHBondContact O-OG1 2.87Å; F256-L264 HydrophobicContact CB-CD1 4.22Å; F256-L264 HydrophobicContact CD1-CD1 4.47Å |
| 257 | L | 90.6 | Very high | 89 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 176.7 | -62.9 | 176 | 0 | 0 | 0 | 110.6 | L253 D254 H255 T260 E261 F262 L264 P266 | L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 3Å; D254-L257 PolarHBondContact O-N 2.92Å; H255-L257 VanDerWaalsContact C-N 3.34Å; H255-L257 PolarHBondContact O-N 3.45Å; L257-T260 PolarHBondContact O-N 2.86Å; L257-T260 PolarHBondContact O-OG1 3.37Å; L257-E261 PolarHBondContact O-N 2.68Å; L257-F262 HydrophobicContact CB-CD1 3.91Å; L257-F262 HydrophobicContact CB-CE1 3.87Å; L257-F262 PolarHBondContact O-N 3.34Å; L257-L264 HydrophobicContact CD2-CB 4.07Å; L257-L264 WeakPolarHBondContact CD2-O 3.49Å; L257-P266 HydrophobicContact CD1-CG 4.24Å; L257-P266 HydrophobicContact CD2-CG 4.34Å |
| 258 | M | 87.8 | Confident | 89.1 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 61% | 0.606 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.5 | -48.7 | -179.4 | -172.1 | 170.5 | 66 | 0 | 0 | 112.3 | D254 H255 T260 E261 | D254-M258 VanDerWaalsContact O-CB 3.25Å; D254-M258 WeakPolarHBondContact O-CB 3.26Å; D254-M258 PolarHBondContact O-N 2.92Å; H255-M258 PolarHBondContact O-N 3.45Å; M258-T260 PolarHBondContact O-N 3.12Å; M258-T260 VanDerWaalsContact O-N 3.13Å; M258-E261 PolarHBondContact O-N 3.13Å; M258-E261 VanDerWaalsContact O-N 3.12Å |
| 259 | E | 86.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 61 Ų | 61 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.5 | -14.7 | 178.1 | -72.6 | -66.9 | 134.8 | 0 | 0 | 113.8 | H255 | H255-E259 VanDerWaalsContact O-CB 3.27Å; H255-E259 WeakPolarHBondContact O-CB 3.48Å; H255-E259 VanDerWaalsContact O-CG 3.28Å; H255-E259 WeakPolarHBondContact O-CG 3.44Å; H255-E259 PolarHBondContact O-N 2.94Å |
| 260 | T | 84.5 | Confident | 88.1 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 16.1 | 176.5 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | F256 L257 M258 F262 R263 L264 | F256-T260 WeakPolarHBondContact O-CB 3.12Å; F256-T260 WeakPolarHBondContact O-CG2 3.26Å; F256-T260 PolarHBondContact O-N 2.86Å; F256-T260 PolarHBondContact O-OG1 2.87Å; L257-T260 PolarHBondContact O-N 2.86Å; L257-T260 PolarHBondContact O-OG1 3.37Å; M258-T260 PolarHBondContact O-N 3.12Å; M258-T260 VanDerWaalsContact O-N 3.13Å; T260-F262 PolarHBondContact O-N 3.34Å; T260-R263 WeakPolarHBondContact O-CB 3.43Å; T260-R263 WeakPolarHBondContact O-CG 3.17Å; T260-R263 PolarHBondContact O-N 2.85Å; T260-L264 HydrophobicContact CG2-CD1 3.66Å; T260-L264 HydrophobicContact CG2-CG 4.08Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.47Å; T260-L264 WeakPolarHBondContact OG1-CG 3.43Å |
| 261 | E | 81.6 | Confident | 86.8 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 39 | -179.5 | -57.9 | 176.1 | 166.8 | 0 | 0 | 112.1 | L257 M258 R263 | L257-E261 PolarHBondContact O-N 2.68Å; M258-E261 PolarHBondContact O-N 3.13Å; M258-E261 VanDerWaalsContact O-N 3.12Å; E261-R263 PolarHBondContact O-N 3.44Å; E261-R263 VanDerWaalsContact O-N 3.08Å |
| 262 | F | 83.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 21.1 | -177.3 | -58.1 | -91.7 | 0 | 0 | 0 | 114.8 | L257 T260 L264 | L257-F262 HydrophobicContact CB-CD1 3.91Å; L257-F262 HydrophobicContact CB-CE1 3.87Å; L257-F262 PolarHBondContact O-N 3.34Å; T260-F262 PolarHBondContact O-N 3.34Å; F262-L264 CarbonylContact C-O 3.6Å; F262-L264 PolarHBondContact O-N 3.37Å |
| 263 | R | 85.1 | Confident | 83 | Confident | 181 Ų | 181 | 86.8 Ų | 86.8 | 68% | 0.683 | 42% | 0.423 | S | S | * | . | trans | -70.4 | -16.7 | 167.8 | -62.9 | 177.4 | 61.8 | -168.9 | -3.2 | 112.4 | N198 T260 E261 | N198-R263 PolarHBondContact ND2-O 3.39Å; T260-R263 WeakPolarHBondContact O-CB 3.43Å; T260-R263 WeakPolarHBondContact O-CG 3.17Å; T260-R263 PolarHBondContact O-N 2.85Å; E261-R263 PolarHBondContact O-N 3.44Å; E261-R263 VanDerWaalsContact O-N 3.08Å | ||
| 264 | L | 89.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 93.7 Ų | 93.7 | 3% | 0.026 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -91.3 | 143.1 | 165.5 | -64.6 | 176 | 0 | 0 | 0 | 110.6 | N198 I199 L214 F256 L257 T260 F262 | N198-L264 WeakPolarHBondContact OD1-CA 3.42Å; N198-L264 WeakPolarHBondContact OD1-CD2 3.32Å; I199-L264 HydrophobicContact CD1-CD1 4.33Å; I199-L264 HydrophobicContact CG2-CB 4.34Å; L214-L264 HydrophobicContact CB-CD2 4.29Å; L214-L264 HydrophobicContact CD1-CD2 4.4Å; L214-L264 HydrophobicContact CD2-CD1 3.77Å; F256-L264 HydrophobicContact CB-CD1 4.22Å; F256-L264 HydrophobicContact CD1-CD1 4.47Å; L257-L264 HydrophobicContact CD2-CB 4.07Å; L257-L264 WeakPolarHBondContact CD2-O 3.49Å; T260-L264 HydrophobicContact CG2-CD1 3.66Å; T260-L264 HydrophobicContact CG2-CG 4.08Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.47Å; T260-L264 WeakPolarHBondContact OG1-CG 3.43Å; F262-L264 CarbonylContact C-O 3.6Å; F262-L264 PolarHBondContact O-N 3.37Å |
| 265 | Q | 90.4 | Very high | 79.5 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | trans | -135.3 | 121.4 | -176.4 | -71 | -175.5 | -22.4 | 0 | 0 | 109.2 | G197 N198 I199 Y267 | G197-Q265 CarbonylContact C-O 3.49Å; G197-Q265 WeakPolarHBondContact CA-O 3.45Å; N198-Q265 PolarHBondContact N-O 2.88Å; N198-Q265 PolarHBondContact OD1-N 3.21Å; N198-Q265 PolarHBondContact OD1-O 2.88Å; I199-Q265 WeakPolarHBondContact CG2-O 3.39Å; I199-Q265 PolarHBondContact N-O 2.86Å; Q265-Y267 PolarHBondContact O-N 2.76Å | ||
| 266 | P | 93.3 | Very high | 77.7 | Confident | 46 Ų | 46 | 99.4 Ų | 99.4 | 30% | 0.299 | 50% | 0.503 | S | S | . | . | B | Isolated β-bridge | trans | -51.8 | 131.6 | 178.9 | -28.1 | 37.2 | 0 | 0 | 0 | 111.9 | C177 L257 L268 | C177-P266 HydrophobicContact CB-CB 3.79Å; L257-P266 HydrophobicContact CD1-CG 4.24Å; L257-P266 HydrophobicContact CD2-CG 4.34Å; P266-L268 PolarHBondContact O-N 3.4Å |
| 267 | Y | 93.4 | Very high | 75.9 | Confident | 6 Ų | 6 | 106.2 Ų | 106.2 | 2% | 0.024 | 54% | 0.538 | C | S | . | . | trans | -68.9 | 118.3 | 177.1 | -171.8 | -85.2 | 0 | 0 | 0 | 110.3 | C177 F179 M189 L190 N193 Y196 I199 I200 Q265 V269 | C177-Y267 WeakPolarHBondContact CA-O 3.46Å; C177-Y267 WeakPolarHBondContact CB-O 3.06Å; F179-Y267 HydrophobicContact CD2-CD1 4.3Å; F179-Y267 AromaticContact CE2-CD1 3.53Å; F179-Y267 HydrophobicContact CE2-CD1 3.53Å; F179-Y267 HydrophobicContact CE2-CE1 4.33Å; F179-Y267 HydrophobicContact CE2-CG 4.4Å; F179-Y267 WeakPolarHBondContact CE2-O 3.46Å; F179-Y267 AromaticContact CZ-CD1 3.7Å; F179-Y267 HydrophobicContact CZ-CD1 3.7Å; F179-Y267 HydrophobicContact CZ-CE1 4.17Å; M189-Y267 HydrophobicContact CB-CE2 4.29Å; M189-Y267 HydrophobicContact CE-CD1 4.15Å; M189-Y267 HydrophobicContact CE-CE1 3.51Å; L190-Y267 HydrophobicContact CD2-CD2 3.59Å; L190-Y267 HydrophobicContact CD2-CE2 4.25Å; L190-Y267 HydrophobicContact CD2-CG 4.25Å; N193-Y267 HydrophobicContact CB-CE2 4.2Å; N193-Y267 PolarHBondContact ND2-OH 3Å; Y196-Y267 HydrophobicContact CD2-CE1 4.39Å; Y196-Y267 HydrophobicContact CD2-CE2 4.31Å; Y196-Y267 AromaticContact CD2-CZ 3.87Å; Y196-Y267 CarbonylContact O-C 3.57Å; Y196-Y267 VanDerWaalsContact O-CA 3.26Å; Y196-Y267 WeakPolarHBondContact O-CA 3.05Å; I199-Y267 WeakPolarHBondContact O-CB 3.5Å; I199-Y267 PolarHBondContact O-N 3.41Å; I200-Y267 HydrophobicContact CD1-CD1 4.16Å; I200-Y267 HydrophobicContact CD1-CD2 4.2Å; I200-Y267 HydrophobicContact CD1-CG 3.94Å; I200-Y267 VanDerWaalsContact CG1-CB 3.47Å; I200-Y267 HydrophobicContact CG1-CD1 4.2Å; I200-Y267 HydrophobicContact CG1-CD2 4.35Å; I200-Y267 HydrophobicContact CG1-CG 3.79Å; Q265-Y267 PolarHBondContact O-N 2.76Å; Y267-V269 HydrophobicContact CD1-CG2 4.37Å; Y267-V269 HydrophobicContact CE1-CG2 3.67Å | ||
| 268 | L | 90.1 | Very high | 74.3 | Confident | 85 Ų | 85 | 113.9 Ų | 113.9 | 45% | 0.445 | 57% | 0.574 | S | S | . | * | trans | -130.5 | 118.3 | -178.4 | -64.5 | 175.2 | 0 | 0 | 0 | 109.2 | L176 Y196 P266 P270 | L176-L268 HydrophobicContact CB-CD2 3.66Å; Y196-L268 WeakPolarHBondContact CB-O 3.22Å; Y196-L268 PolarHBondContact O-N 3.08Å; P266-L268 PolarHBondContact O-N 3.4Å; L268-P270 WeakPolarHBondContact O-CD 3.21Å | ||
| 269 | V | 84.1 | Confident | 72.4 | Confident | 77 Ų | 77 | 115.1 Ų | 115.1 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -78 | 125.7 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | F179 Y267 Q271 | F179-V269 HydrophobicContact CE1-CG2 4.2Å; F179-V269 HydrophobicContact CZ-CG2 4.22Å; Y267-V269 HydrophobicContact CD1-CG2 4.37Å; Y267-V269 HydrophobicContact CE1-CG2 3.67Å; V269-Q271 PolarHBondContact O-N 3.21Å |
| 270 | P | 74.2 | Confident | 70.8 | Confident | 80 Ų | 80 | 114 Ų | 114 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 123.1 | 173.5 | -22.9 | 33.6 | 0 | 0 | 0 | 110.3 | Y196 L268 T272 | Y196-P270 HydrophobicContact CD1-CG 3.95Å; Y196-P270 VanDerWaalsContact CE1-CD 3.46Å; Y196-P270 HydrophobicContact CE1-CG 3.7Å; L268-P270 WeakPolarHBondContact O-CD 3.21Å; P270-T272 PolarHBondContact O-N 2.79Å |
| 271 | Q | 63.3 | Low | 69.5 | Low | 176 Ų | 176 | 118.2 Ų | 118.2 | 82% | 0.822 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 119.8 | 170.5 | -66.4 | -174.7 | 9.1 | 0 | 0 | 108.4 | V269 Y273 | V269-Q271 PolarHBondContact O-N 3.21Å; Q271-Y273 PolarHBondContact O-N 2.71Å |
| 272 | T | 52.5 | Low | 68 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 80% | 0.798 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 120.7 | 165.6 | 48.5 | 0 | 0 | 0 | 0 | 107.9 | P270 D274 | P270-T272 PolarHBondContact O-N 2.79Å; T272-D274 PolarHBondContact O-N 3.27Å |
| 273 | Y | 48.2 | Very low | 66.5 | Low | 218 Ų | 218 | 123.4 Ų | 123.4 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 123.8 | 178.7 | -66.5 | -87.8 | 0 | 0 | 0 | 111.3 | Q271 T275 | Q271-Y273 PolarHBondContact O-N 2.71Å; Y273-T275 PolarHBondContact O-N 3.35Å; Y273-T275 VanDerWaalsContact O-N 3.1Å |
| 274 | D | 53.5 | Low | 64.7 | Low | 154 Ų | 154 | 120.6 Ų | 120.6 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | trans | -60.7 | 113.6 | 167 | -86.1 | -45 | 0 | 0 | 0 | 108.7 | T272 C276 | T272-D274 PolarHBondContact O-N 3.27Å; D274-C276 PolarHBondContact O-N 2.73Å | ||
| 275 | T | 53.3 | Low | 62.6 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | trans | -79.8 | 2.8 | 178.6 | 28.1 | 0 | 0 | 0 | 0 | 113.1 | Y273 | Y273-T275 PolarHBondContact O-N 3.35Å; Y273-T275 VanDerWaalsContact O-N 3.1Å | ||
| 276 | C | 53 | Low | 60.7 | Low | 101 Ų | 101 | 130.2 Ų | 130.2 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -95.8 | 94.5 | 177 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | D274 E278 | D274-C276 PolarHBondContact O-N 2.73Å; C276-E278 PolarHBondContact O-N 3.41Å; C276-E278 VanDerWaalsContact O-N 3.15Å | ||
| 277 | I | 54 | Low | 58.6 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -73.4 | 100.7 | 162.2 | -58.6 | 174.2 | 0 | 0 | 0 | 107.1 | L279 | I277-L279 PolarHBondContact O-N 3.38Š| ||
| 278 | E | 57.2 | Low | 56.4 | Low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 99.2 | 168.5 | -68.9 | -165 | 169.4 | 0 | 0 | 109.4 | C276 | C276-E278 PolarHBondContact O-N 3.41Å; C276-E278 VanDerWaalsContact O-N 3.15Å | ||
| 279 | L | 49.1 | Very low | 54.4 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.4 | 171.7 | -81.3 | 158.1 | 0 | 0 | 0 | 109.3 | I277 | I277-L279 PolarHBondContact O-N 3.38Š|
| 280 | P | 53.1 | Low | 52.8 | Low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.7 | 172.7 | -23.5 | 33.2 | 0 | 0 | 0 | 110.6 | E282 | P280-E282 PolarHBondContact O-N 3.26Š|
| 281 | P | 57.3 | Low | 51.7 | Low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.5 | 178 | 23.9 | -33.5 | 0 | 0 | 0 | 110.6 | K283 | P281-K283 PolarHBondContact O-N 2.78Å; P281-K283 VanDerWaalsContact O-N 3.15Å |
| 282 | E | 48.9 | Very low | 51 | Low | 193 Ų | 193 | 146.3 Ų | 146.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56 | 120.4 | -177.9 | -71.6 | -170 | 132 | 0 | 0 | 110.8 | P280 | P280-E282 PolarHBondContact O-N 3.26Š|
| 283 | K | 52.3 | Low | 51 | Low | 191 Ų | 191 | 151.4 Ų | 151.4 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 138 | 171.5 | -72.2 | -179.3 | 178.7 | 175.5 | 0 | 109 | P281 T285 | P281-K283 PolarHBondContact O-N 2.78Å; P281-K283 VanDerWaalsContact O-N 3.15Å; K283-T285 PolarHBondContact O-N 3.45Å |
| 284 | P | 48.4 | Very low | 51.2 | Low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.1 | 178 | -27.3 | 34.6 | 0 | 0 | 0 | 112.3 | L286 | P284-L286 PolarHBondContact O-N 3.01Å; P284-L286 VanDerWaalsContact O-N 3.07Å |
| 285 | T | 45.7 | Very low | 51.5 | Low | 146 Ų | 146 | 149.8 Ų | 149.8 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -66.4 | 104.5 | -178.9 | 11.9 | 0 | 0 | 0 | 0 | 110.9 | K283 | K283-T285 PolarHBondContact O-N 3.45Š| ||
| 286 | L | 50.6 | Low | 51.6 | Low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 142.5 | 163 | -79 | 162.5 | 0 | 0 | 0 | 109.6 | P284 | P284-L286 PolarHBondContact O-N 3.01Å; P284-L286 VanDerWaalsContact O-N 3.07Å | ||
| 287 | P | 48.1 | Very low | 51.6 | Low | 115 Ų | 115 | 148.6 Ų | 148.6 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -62.8 | 140.9 | -173.2 | 24.5 | -34 | 0 | 0 | 0 | 112 | K289 | P287-K289 PolarHBondContact O-N 3.2Å; P287-K289 VanDerWaalsContact O-N 3.11Å | ||
| 288 | S | 48.7 | Very low | 51.5 | Low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -54.9 | 112.7 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | T290 | S288-T290 PolarHBondContact O-N 2.6Š| ||
| 289 | K | 48 | Very low | 50.8 | Low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 120 | 162.6 | -78.6 | -175.4 | 176.2 | 178.1 | 0 | 108.9 | P287 V291 | P287-K289 PolarHBondContact O-N 3.2Å; P287-K289 VanDerWaalsContact O-N 3.11Å; K289-V291 PolarHBondContact O-N 2.84Å |
| 290 | T | 49.8 | Very low | 50.7 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 118.1 | -179.7 | -43.8 | 0 | 0 | 0 | 0 | 111.1 | S288 | S288-T290 PolarHBondContact O-N 2.6Š|
| 291 | V | 50.5 | Low | 50.2 | Low | 121 Ų | 121 | 148.3 Ų | 148.3 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130.8 | 170 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | K289 R293 | K289-V291 PolarHBondContact O-N 2.84Å; V291-R293 PolarHBondContact O-N 2.92Å |
| 292 | P | 48.7 | Very low | 49.3 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -61.6 | 108.7 | 173.1 | -21.4 | 33.1 | 0 | 0 | 0 | 109.9 | A294 | P292-A294 PolarHBondContact O-N 2.83Š| ||
| 293 | R | 53.1 | Low | 49 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 102.2 | 175.8 | -135 | -179 | -175.6 | -180 | 0.4 | 108 | V291 R295 | V291-R293 PolarHBondContact O-N 2.92Å; R293-R295 PolarHBondContact O-N 2.99Å | ||
| 294 | A | 51.2 | Low | 48.2 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -58.2 | 110.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P292 V296 | P292-A294 PolarHBondContact O-N 2.83Å; A294-V296 PolarHBondContact O-N 3.38Å | ||
| 295 | R | 61 | Low | 47.8 | Very low | 247 Ų | 247 | 143.5 Ų | 143.5 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 91.4 | 175.1 | -70.1 | -171.1 | 180 | -158.7 | 1.2 | 108.7 | R293 | R293-R295 PolarHBondContact O-N 2.99Š| ||
| 296 | V | 54.4 | Low | 47.2 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 126.7 | 166.1 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | A294 | A294-V296 PolarHBondContact O-N 3.38Š|
| 297 | A | 53.2 | Low | 46.3 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 142.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M299 | A297-M299 PolarHBondContact O-N 2.95Š|
| 298 | P | 52.3 | Low | 45.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.4 | 177.9 | 27.1 | -33.6 | 0 | 0 | 0 | 110.7 | I300 | P298-I300 PolarHBondContact O-N 3.42Š|
| 299 | M | 41.8 | Very low | 45.2 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 114.8 | 176.8 | -173.3 | 174.7 | 70.2 | 0 | 0 | 109.7 | A297 H301 | A297-M299 PolarHBondContact O-N 2.95Å; M299-H301 PolarHBondContact O-N 2.84Å; M299-H301 VanDerWaalsContact O-N 3.12Å | ||
| 300 | I | 48.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 112.3 | 176.6 | -61.8 | 178.1 | 0 | 0 | 0 | 108.1 | P298 T302 | P298-I300 PolarHBondContact O-N 3.42Å; I300-T302 PolarHBondContact O-N 2.9Å | ||
| 301 | H | 41.6 | Very low | 44 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -90.5 | 85.3 | 177.3 | -143.3 | 60.3 | 0 | 0 | 0 | 109 | M299 Q303 | M299-H301 PolarHBondContact O-N 2.84Å; M299-H301 VanDerWaalsContact O-N 3.12Å; H301-Q303 PolarHBondContact O-N 3.06Å | ||
| 302 | T | 38.9 | Very low | 43.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 95.5 | 179.6 | -31.9 | 0 | 0 | 0 | 0 | 109.8 | I300 S304 | I300-T302 PolarHBondContact O-N 2.9Å; T302-S304 PolarHBondContact O-N 3.36Å | ||
| 303 | Q | 41.2 | Very low | 42.4 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 116.4 | 168.5 | -64.5 | -179 | 2.7 | 0 | 0 | 108.8 | H301 | H301-Q303 PolarHBondContact O-N 3.06Š|
| 304 | S | 36.2 | Very low | 41.8 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 129.3 | 173.1 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | T302 | T302-S304 PolarHBondContact O-N 3.36Š|
| 305 | P | 39.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 157.7 | 167.2 | -15.6 | 30.4 | 0 | 0 | 0 | 111.7 | ||
| 306 | A | 34 | Very low | 39.9 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 148.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 307 | G | 31.8 | Very low | 38.8 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 143.7 | 110.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 308 | D | 34.5 | Very low | 37.8 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 105.8 | 145 | -53.7 | -25.6 | 0 | 0 | 0 | 123.3 | ||||
| 309 | I | 39 | Very low | 36.9 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 58.8 | 115.8 | 136.4 | -47 | 174 | 0 | 0 | 0 | 119.5 | ||||
| 310 | P | 36.7 | Very low | 36.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87 | 148.5 | 167.5 | 35.3 | -33 | 0 | 0 | 0 | 113.3 | ||
| 311 | P | 36.6 | Very low | 35.6 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 157.5 | 176.1 | 33.3 | -34.5 | 0 | 0 | 0 | 114.9 | ||
| 312 | S | 31.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.7 | -167.2 | 164.1 | 0 | 0 | 0 | 0 | 117.7 | ||
| 313 | Y | 32.8 | Very low | 34.7 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 60 | 167.7 | 148.5 | -57.9 | -43 | 0 | 0 | 0 | 120.6 | ||||
| 314 | P | 40.5 | Very low | 34.2 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -127.3 | 172.4 | 0.7 | 39.3 | -22.6 | 0 | 0 | 0 | 117 | ||||
| 315 | I | 38.7 | Very low | 33.9 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 134.8 | 174.2 | -62.4 | 167.5 | 0 | 0 | 0 | 110.7 | ||
| 316 | P | 33.1 | Very low | 33.4 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 141.4 | 162.3 | -10.8 | 29.3 | 0 | 0 | 0 | 113 | ||
| 317 | L | 32.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 154.3 | -172.5 | -62.7 | 113.2 | 0 | 0 | 0 | 114.8 | ||
| 318 | I | 32.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 136.7 | 162.2 | -60.4 | 175.6 | 0 | 0 | 0 | 108.5 | ||
| 319 | P | 33.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 147.6 | -176 | -13.8 | 29.8 | 0 | 0 | 0 | 114.3 | ||
| 320 | T | 30.3 | Very low | 32.9 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -122.8 | 145.7 | 174.5 | 44.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 321 | K | 32 | Very low | 33.1 | Very low | 210 Ų | 210 | 144.6 Ų | 144.6 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | 174.3 | 145 | 154.2 | -103.5 | 179.4 | 178.5 | -174.8 | 0 | 107.5 | ||||
| 322 | A | 32.3 | Very low | 33 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -166.3 | 173.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 323 | T | 29 | Very low | 33.2 | Very low | 109 Ų | 109 | 145 Ų | 145 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | cis | -163 | 148.2 | -4.8 | -135 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | E | 30.6 | Very low | 33.8 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 63.3 | 158.2 | 153.3 | -69.3 | 163.8 | -168.4 | 0 | 0 | 125 | ||||
| 325 | A | 30.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 68.4 | 123.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 326 | G | 28.5 | Very low | 34 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | cis | 167.7 | 162.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 327 | N | 30.4 | Very low | 34.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 75.6 | 106.6 | 170 | -44.8 | -3.9 | 0 | 0 | 0 | 114.1 | ||||
| 328 | E | 33 | Very low | 34.8 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 76.8 | 104.6 | 77.3 | -173 | 179 | -163.8 | 0 | 0 | 112.5 | |||||
| 329 | Y | 31.3 | Very low | 35.9 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | trans | -134 | 128.4 | 156.7 | -86.9 | -79.1 | 0 | 0 | 0 | 109.2 | ||||
| 330 | Q | 34.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 152.3 | 178.5 | -67.1 | 170 | -31.4 | 0 | 0 | 110.7 | ||||
| 331 | D | 40.2 | Very low | 37.9 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -86.2 | 141.7 | 169.8 | -156.5 | -2.5 | 0 | 0 | 0 | 109.8 | ||||
| 332 | A | 34.8 | Very low | 39.6 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -160.7 | 98.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 333 | D | 36.2 | Very low | 41.4 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | 41.9 | 104 | 142.9 | -57.9 | -24.4 | 0 | 0 | 0 | 120.8 | ||||
| 334 | D | 44.6 | Very low | 43 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | 43.8 | 95.2 | 120 | -150.5 | 10.8 | 0 | 0 | 0 | 119.1 | |||||
| 335 | I | 37.2 | Very low | 44.9 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -125.9 | 115.4 | 153 | -62.2 | -176.7 | 0 | 0 | 0 | 108.8 | G337 | I335-G337 PolarHBondContact O-N 3.29Å; I335-G337 VanDerWaalsContact O-N 3.14Å | ||
| 336 | S | 47.4 | Very low | 47.1 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -67.3 | 107.2 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 337 | G | 38.6 | Very low | 49.3 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 146.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I335 | I335-G337 PolarHBondContact O-N 3.29Å; I335-G337 VanDerWaalsContact O-N 3.14Å |
| 338 | P | 42.8 | Very low | 51.4 | Low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -71 | 146.7 | -179.4 | 29.7 | -34.8 | 0 | 0 | 0 | 112.3 | ||
| 339 | E | 56.3 | Low | 53.7 | Low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 146.1 | 175.6 | -97.1 | -171.9 | 124.1 | 0 | 0 | 113.2 | K341 | E339-K341 PolarHBondContact O-N 2.93Š|
| 340 | P | 46.3 | Very low | 55.9 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -66.2 | 105.4 | 174.8 | 28.6 | -33.7 | 0 | 0 | 0 | 110 | D342 | P340-D342 PolarHBondContact O-N 3.26Š| ||
| 341 | K | 58.9 | Low | 58.1 | Low | 174 Ų | 174 | 120.4 Ų | 120.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | trans | -57.5 | 134.6 | 174.3 | -65.9 | 179.1 | -179.2 | 176.1 | 0 | 110.1 | E339 L343 | E339-K341 PolarHBondContact O-N 2.93Å; K341-L343 PolarHBondContact O-N 2.87Å | ||
| 342 | D | 67.8 | Low | 60 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | trans | -63.6 | 94.9 | 176.1 | 177.1 | 15.5 | 0 | 0 | 0 | 110.9 | P340 H344 Q345 E346 | P340-D342 PolarHBondContact O-N 3.26Å; D342-H344 PolarHBondContact O-N 2.86Å; D342-H344 VanDerWaalsContact O-N 3.13Å; D342-H344 WeakPolarHBondContact OD1-CB 2.96Å; D342-H344 PolarHBondContact OD1-N 2.88Å; D342-Q345 HydrophobicContact CB-CB 4.26Å; D342-Q345 WeakPolarHBondContact O-CB 3.39Å; D342-Q345 PolarHBondContact O-N 3.41Å; D342-Q345 WeakPolarHBondContact OD2-CB 3.35Å; D342-E346 PolarHBondContact O-N 3.29Å | ||
| 343 | L | 69.6 | Low | 62 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 71% | 0.707 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.9 | -29.4 | 178.4 | -159.3 | 80.6 | 0 | 0 | 0 | 111.9 | K341 L347 | K341-L343 PolarHBondContact O-N 2.87Å; L343-L347 WeakPolarHBondContact O-CB 3.34Å; L343-L347 PolarHBondContact O-N 2.98Å |
| 344 | H | 62.8 | Low | 63.7 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 51% | 0.505 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71 | -32.8 | 178.7 | -165.7 | -43.4 | 0 | 0 | 0 | 111.5 | D342 R348 | D342-H344 PolarHBondContact O-N 2.86Å; D342-H344 VanDerWaalsContact O-N 3.13Å; D342-H344 WeakPolarHBondContact OD1-CB 2.96Å; D342-H344 PolarHBondContact OD1-N 2.88Å; H344-R348 PolarHBondContact ND1-NE 3.14Å; H344-R348 WeakPolarHBondContact O-CG 3.25Å; H344-R348 PolarHBondContact O-N 2.93Å |
| 345 | Q | 71 | Confident | 65.1 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 44% | 0.444 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.7 | -40.6 | 175.7 | -171.7 | 64 | -3.9 | 0 | 0 | 111.7 | D342 L347 R348 I349 | D342-Q345 HydrophobicContact CB-CB 4.26Å; D342-Q345 WeakPolarHBondContact O-CB 3.39Å; D342-Q345 PolarHBondContact O-N 3.41Å; D342-Q345 WeakPolarHBondContact OD2-CB 3.35Å; Q345-L347 PolarHBondContact O-N 3.28Å; Q345-R348 PolarHBondContact O-N 3.43Å; Q345-I349 HydrophobicContact CG-CD1 4.27Å; Q345-I349 WeakPolarHBondContact O-CG1 3.34Å; Q345-I349 PolarHBondContact O-N 3.08Å; Q345-I349 VanDerWaalsContact O-N 3.11Å |
| 346 | E | 77.4 | Confident | 66.5 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.2 | -42.7 | 175.7 | -168.7 | 163.4 | -145.2 | 0 | 0 | 111.6 | D342 R348 I349 A350 | D342-E346 PolarHBondContact O-N 3.29Å; E346-R348 PolarHBondContact O-N 3.36Å; E346-I349 PolarHBondContact O-N 3.43Å; E346-A350 PolarHBondContact O-N 3.37Å |
| 347 | L | 73.6 | Confident | 67.5 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -42.4 | 174.7 | -170 | 71.8 | 0 | 0 | 0 | 112.5 | L343 Q345 I349 A350 V351 | L343-L347 WeakPolarHBondContact O-CB 3.34Å; L343-L347 PolarHBondContact O-N 2.98Å; Q345-L347 PolarHBondContact O-N 3.28Å; L347-I349 PolarHBondContact O-N 2.84Å; L347-A350 PolarHBondContact O-N 3.02Å; L347-V351 WeakPolarHBondContact O-CG2 3.3Å; L347-V351 PolarHBondContact O-N 3.08Å |
| 348 | R | 74.9 | Confident | 68.6 | Low | 140 Ų | 140 | 122.2 Ų | 122.2 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 176.9 | -81.9 | -168.2 | -83.9 | -143.1 | -6.6 | 112 | H344 Q345 E346 Q352 | H344-R348 PolarHBondContact ND1-NE 3.14Å; H344-R348 WeakPolarHBondContact O-CG 3.25Å; H344-R348 PolarHBondContact O-N 2.93Å; Q345-R348 PolarHBondContact O-N 3.43Å; E346-R348 PolarHBondContact O-N 3.36Å; R348-Q352 PolarHBondContact O-N 3.28Å; R348-Q352 VanDerWaalsContact O-N 3.16Å |
| 349 | I | 81.6 | Confident | 69.1 | Low | 81 Ų | 81 | 125.4 Ų | 125.4 | 42% | 0.415 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.3 | -41.5 | 177.6 | -65.6 | 165.3 | 0 | 0 | 0 | 111 | Q345 E346 L347 Q352 R353 | Q345-I349 HydrophobicContact CG-CD1 4.27Å; Q345-I349 WeakPolarHBondContact O-CG1 3.34Å; Q345-I349 PolarHBondContact O-N 3.08Å; Q345-I349 VanDerWaalsContact O-N 3.11Å; E346-I349 PolarHBondContact O-N 3.43Å; L347-I349 PolarHBondContact O-N 2.84Å; I349-Q352 PolarHBondContact O-N 3.16Å; I349-R353 PolarHBondContact O-N 3.39Å; I349-R353 VanDerWaalsContact O-N 3.09Å |
| 350 | A | 78.8 | Confident | 69.1 | Low | 56 Ų | 56 | 122.6 Ų | 122.6 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.3 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E346 L347 R354 | E346-A350 PolarHBondContact O-N 3.37Å; L347-A350 PolarHBondContact O-N 3.02Å; A350-R354 PolarHBondContact O-N 3Å |
| 351 | V | 79.7 | Confident | 69.3 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | L347 R354 K355 | L347-V351 WeakPolarHBondContact O-CG2 3.3Å; L347-V351 PolarHBondContact O-N 3.08Å; V351-R354 PolarHBondContact O-N 3.18Å; V351-K355 PolarHBondContact O-N 2.91Å |
| 352 | Q | 79 | Confident | 68.3 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 44% | 0.444 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -45.8 | -179.8 | -176.2 | 59.9 | 22.9 | 0 | 0 | 112.1 | R348 I349 R354 K355 E356 | R348-Q352 PolarHBondContact O-N 3.28Å; R348-Q352 VanDerWaalsContact O-N 3.16Å; I349-Q352 PolarHBondContact O-N 3.16Å; Q352-R354 VanDerWaalsContact C-N 3.3Å; Q352-R354 PolarHBondContact O-N 2.91Å; Q352-K355 WeakPolarHBondContact O-CB 2.77Å; Q352-K355 PolarHBondContact O-N 2.74Å; Q352-K355 VanDerWaalsContact O-N 3.15Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.37Å; Q352-E356 PolarHBondContact NE2-OE1 2.88Å; Q352-E356 PolarHBondContact O-N 2.69Å |
| 353 | R | 77.8 | Confident | 67.4 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.2 | -41 | 174.6 | -75.1 | -176.1 | -179.1 | 175.1 | 2.4 | 112.6 | I349 K355 E356 Q357 | I349-R353 PolarHBondContact O-N 3.39Å; I349-R353 VanDerWaalsContact O-N 3.09Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 2.94Å; R353-E356 PolarHBondContact O-N 2.9Å; R353-Q357 WeakPolarHBondContact O-CG 3.42Å; R353-Q357 PolarHBondContact O-N 3.19Å; R353-Q357 VanDerWaalsContact O-N 3.08Å |
| 354 | R | 72.2 | Confident | 66.2 | Low | 186 Ų | 186 | 120 Ų | 120 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -35.8 | 179 | -159.1 | 178.4 | -168.4 | 109.3 | -0 | 111.6 | A350 V351 Q352 I358 | A350-R354 PolarHBondContact O-N 3Å; V351-R354 PolarHBondContact O-N 3.18Å; Q352-R354 VanDerWaalsContact C-N 3.3Å; Q352-R354 PolarHBondContact O-N 2.91Å; R354-I358 WeakPolarHBondContact O-CD1 3.43Å; R354-I358 WeakPolarHBondContact O-CG1 3.49Å; R354-I358 PolarHBondContact O-N 2.86Å |
| 355 | K | 72.9 | Confident | 65 | Low | 122 Ų | 122 | 123 Ų | 123 | 53% | 0.53 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.6 | -44.5 | 174.1 | -167.1 | 175.9 | -180 | -179.5 | 0 | 111.4 | V351 Q352 R353 Q357 I358 Y359 | V351-K355 PolarHBondContact O-N 2.91Å; Q352-K355 WeakPolarHBondContact O-CB 2.77Å; Q352-K355 PolarHBondContact O-N 2.74Å; Q352-K355 VanDerWaalsContact O-N 3.15Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 2.94Å; K355-Q357 PolarHBondContact O-N 2.88Å; K355-I358 PolarHBondContact O-N 2.71Å; K355-Y359 HydrophobicContact CG-CE2 4.37Å; K355-Y359 WeakPolarHBondContact O-CD2 3.47Å; K355-Y359 PolarHBondContact O-N 2.85Å |
| 356 | E | 68.2 | Low | 63.3 | Low | 99 Ų | 99 | 130 Ų | 130 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.7 | -36.5 | 179.3 | -72.5 | 161.9 | -169.7 | 0 | 0 | 113.1 | Q352 R353 I358 Y359 T360 | Q352-E356 WeakPolarHBondContact CG-OE1 3.37Å; Q352-E356 PolarHBondContact NE2-OE1 2.88Å; Q352-E356 PolarHBondContact O-N 2.69Å; R353-E356 PolarHBondContact O-N 2.9Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.4Å; E356-Y359 PolarHBondContact O-N 3.43Å; E356-T360 PolarHBondContact O-N 2.74Å; E356-T360 PolarHBondContact O-OG1 2.99Å |
| 357 | Q | 66.4 | Low | 61.4 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.6 | -34.2 | 174.7 | -73.3 | 175.2 | -7.9 | 0 | 0 | 113.1 | R353 K355 Y359 T360 G361 | R353-Q357 WeakPolarHBondContact O-CG 3.42Å; R353-Q357 PolarHBondContact O-N 3.19Å; R353-Q357 VanDerWaalsContact O-N 3.08Å; K355-Q357 PolarHBondContact O-N 2.88Å; Q357-Y359 VanDerWaalsContact C-N 3.31Å; Q357-Y359 PolarHBondContact O-N 3.02Å; Q357-T360 PolarHBondContact O-N 3.36Å; Q357-G361 PolarHBondContact O-N 2.89Å |
| 358 | I | 61.8 | Low | 59.8 | Low | 123 Ų | 123 | 132.4 Ų | 132.4 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.6 | -31.6 | 177.9 | -68.6 | 164.4 | 0 | 0 | 0 | 111.6 | R354 K355 E356 | R354-I358 WeakPolarHBondContact O-CD1 3.43Å; R354-I358 WeakPolarHBondContact O-CG1 3.49Å; R354-I358 PolarHBondContact O-N 2.86Å; K355-I358 PolarHBondContact O-N 2.71Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 3.4Å |
| 359 | Y | 53.5 | Low | 58.2 | Low | 192 Ų | 192 | 134.3 Ų | 134.3 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -89.3 | -8.1 | 178.8 | -75.6 | -78.1 | 0 | 0 | 0 | 114.8 | K355 E356 Q357 | K355-Y359 HydrophobicContact CG-CE2 4.37Å; K355-Y359 WeakPolarHBondContact O-CD2 3.47Å; K355-Y359 PolarHBondContact O-N 2.85Å; E356-Y359 PolarHBondContact O-N 3.43Å; Q357-Y359 VanDerWaalsContact C-N 3.31Å; Q357-Y359 PolarHBondContact O-N 3.02Å |
| 360 | T | 56.4 | Low | 56.4 | Low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -110.6 | -10.1 | -179.6 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | E356 Q357 S362 | E356-T360 PolarHBondContact O-N 2.74Å; E356-T360 PolarHBondContact O-OG1 2.99Å; Q357-T360 PolarHBondContact O-N 3.36Å; T360-S362 PolarHBondContact O-N 3.12Å |
| 361 | G | 51.4 | Low | 55.3 | Low | 56 Ų | 56 | 148.5 Ų | 148.5 | 58% | 0.577 | 73% | 0.727 | S | S | * | * | trans | -93.7 | 59.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q357 | Q357-G361 PolarHBondContact O-N 2.89Š| ||
| 362 | S | 38 | Very low | 54 | Low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -133.6 | 93.6 | 172.5 | -80 | 0 | 0 | 0 | 0 | 112.3 | T360 F364 | T360-S362 PolarHBondContact O-N 3.12Å; S362-F364 PolarHBondContact O-N 3.5Å | ||
| 363 | P | 48.6 | Very low | 52.6 | Low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -97 | 49.8 | -175.7 | 39 | -36.1 | 0 | 0 | 0 | 113.3 | ||||
| 364 | F | 44 | Very low | 51.1 | Low | 194 Ų | 194 | 153.8 Ų | 153.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -138.8 | 136.4 | 169.2 | -83.3 | -77.2 | 0 | 0 | 0 | 112.2 | S362 | S362-F364 PolarHBondContact O-N 3.5Š| ||
| 365 | L | 38.7 | Very low | 49.8 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | 103.3 | 83.9 | -177.1 | -61.6 | 167.3 | 0 | 0 | 0 | 115 | ||||
| 366 | R | 35.3 | Very low | 48.3 | Very low | 242 Ų | 242 | 153.8 Ų | 153.8 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 129.9 | 146.8 | -67.5 | -167.8 | -166.9 | -168.7 | 6.1 | 108.2 | ||
| 367 | P | 36.6 | Very low | 46.9 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.3 | 173.8 | 29.7 | -31.7 | 0 | 0 | 0 | 110.7 | ||
| 368 | I | 40.9 | Very low | 45.3 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.8 | 166.4 | -62 | 168.7 | 0 | 0 | 0 | 107.4 | ||
| 369 | Q | 40 | Very low | 44 | Very low | 180 Ų | 180 | 162.5 Ų | 162.5 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -106.8 | 150 | 161.8 | -76.4 | -169.8 | -41 | 0 | 0 | 109.8 | ||||
| 370 | K | 44.3 | Very low | 43.1 | Very low | 285 Ų | 285 | 159.8 Ų | 159.8 | 100% | 1.239 | 84% | 0.835 | S | S | * | * | trans | -69.4 | 0 | -173.3 | -73 | 178.9 | 172.3 | 179.5 | 0 | 113 |
Retrieved 370 of 370 residues in 253.7 ms
(Link to these results)