| 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 | E | 53.8 | Low | 72.7 | Confident | 209 Ų | 209 | 96 Ų | 96 | 98% | 0.977 | 47% | 0.47 | S | S | * | . | 0 | -55.3 | 0 | -130 | 166.9 | 92.7 | 0 | 0 | 114.7 | R3 C4 V5 | E1-R3 PolarHBondContact O-N 3.46Å; E1-C4 PolarHBondContact O-N 3.28Å; E1-V5 PolarHBondContact O-N 3.46Å | |||
| 2 | H | 69.2 | Low | 73.4 | Confident | 163 Ų | 163 | 95.3 Ų | 95.3 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.2 | -41.4 | -178 | -98.7 | 127.8 | 0 | 0 | 0 | 114.9 | V5 E6 | H2-V5 PolarHBondContact O-N 2.93Å; H2-E6 WeakPolarHBondContact O-CG 3.43Å; H2-E6 PolarHBondContact O-N 3.07Å |
| 3 | R | 73.2 | Confident | 74.4 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 38% | 0.381 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | -175.5 | -63.7 | -177.4 | 66.7 | 134.8 | 9.2 | 113.5 | E1 V5 E6 S7 D91 F93 Y95 | E1-R3 PolarHBondContact O-N 3.46Å; R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 3.33Å; R3-E6 PolarHBondContact O-N 3.44Å; R3-S7 PolarHBondContact O-N 3.26Å; R3-S7 PolarHBondContact O-OG 2.93Å; R3-D91 HydrophobicContact CB-CB 4.06Å; R3-D91 IonicContact CZ-OD2 3.22Å; R3-D91 IonicContact NE-OD2 2.76Å; R3-D91 PolarHBondContact NE-OD2 3.45Å; R3-D91 IonicContact NH2-OD2 3.14Å; R3-D91 PolarHBondContact NH2-OD2 3.34Å; R3-D91 VanDerWaalsContact NH2-OD2 3.14Å; R3-F93 HydrophobicContact CB-CE2 4.47Å; R3-Y95 PolarHBondContact NH2-OH 3.14Å |
| 4 | C | 70.6 | Confident | 75.4 | Confident | 62 Ų | 62 | 98.6 Ų | 98.6 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 176.4 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | E1 S7 A8 | E1-C4 PolarHBondContact O-N 3.28Å; C4-S7 PolarHBondContact O-OG 3.25Å; C4-S7 VanDerWaalsContact O-OG 3.08Å; C4-A8 VanDerWaalsContact O-CB 3.26Å; C4-A8 WeakPolarHBondContact O-CB 3.39Å; C4-A8 PolarHBondContact O-N 3.38Å; C4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | V | 75.6 | Confident | 76.1 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.418 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 177 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | E1 H2 R3 K9 | E1-V5 PolarHBondContact O-N 3.46Å; H2-V5 PolarHBondContact O-N 2.93Å; R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 3.33Å; V5-K9 HydrophobicContact CG1-CD 4.09Å; V5-K9 WeakPolarHBondContact O-CB 3.42Å; V5-K9 VanDerWaalsContact O-CG 3.29Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.02Å |
| 6 | E | 74.9 | Confident | 77.1 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 38% | 0.383 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.8 | -76.7 | -169.6 | 105.6 | 0 | 0 | 112.2 | H2 R3 A8 K9 I10 | H2-E6 WeakPolarHBondContact O-CG 3.43Å; H2-E6 PolarHBondContact O-N 3.07Å; R3-E6 PolarHBondContact O-N 3.44Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 2.97Å; E6-K9 PolarHBondContact O-N 3.45Å; E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 VanDerWaalsContact O-CG1 3.23Å; E6-I10 WeakPolarHBondContact O-CG1 3.46Å; E6-I10 PolarHBondContact O-N 3.38Å |
| 7 | S | 69.9 | Low | 78.1 | Confident | 8 Ų | 8 | 99.9 Ų | 99.9 | 6% | 0.056 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 179.6 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | R3 C4 I10 R11 D91 G92 | R3-S7 PolarHBondContact O-N 3.26Å; R3-S7 PolarHBondContact O-OG 2.93Å; C4-S7 PolarHBondContact O-OG 3.25Å; C4-S7 VanDerWaalsContact O-OG 3.08Å; S7-I10 PolarHBondContact O-N 3.24Å; S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.23Å; S7-R11 PolarHBondContact O-N 3.44Å; S7-D91 VanDerWaalsContact CB-O 3.31Å; S7-D91 WeakPolarHBondContact CB-O 3.49Å; S7-D91 PolarHBondContact OG-O 2.89Å; S7-G92 WeakPolarHBondContact CB-O 3.43Å |
| 8 | A | 75.1 | Confident | 79 | Confident | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C4 E6 R11 A12 | C4-A8 VanDerWaalsContact O-CB 3.26Å; C4-A8 WeakPolarHBondContact O-CB 3.39Å; C4-A8 PolarHBondContact O-N 3.38Å; C4-A8 VanDerWaalsContact O-N 3.12Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 2.97Å; A8-R11 PolarHBondContact O-N 3.12Å; A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 3.08Å |
| 9 | K | 79.8 | Confident | 79.9 | Confident | 145 Ų | 145 | 89.7 Ų | 89.7 | 63% | 0.63 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 176.4 | -76.1 | 175.2 | -178.6 | 175.7 | 0 | 112.1 | V5 E6 A12 K13 | V5-K9 HydrophobicContact CG1-CD 4.09Å; V5-K9 WeakPolarHBondContact O-CB 3.42Å; V5-K9 VanDerWaalsContact O-CG 3.29Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.02Å; E6-K9 PolarHBondContact O-N 3.45Å; K9-A12 PolarHBondContact O-N 2.84Å; K9-K13 WeakPolarHBondContact O-CB 3.44Å; K9-K13 PolarHBondContact O-N 3.38Å |
| 10 | I | 80 | Confident | 80.8 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 180 | -72.5 | 168.2 | 0 | 0 | 0 | 110.6 | E6 S7 K13 Y14 L39 | E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 VanDerWaalsContact O-CG1 3.23Å; E6-I10 WeakPolarHBondContact O-CG1 3.46Å; E6-I10 PolarHBondContact O-N 3.38Å; S7-I10 PolarHBondContact O-N 3.24Å; I10-K13 PolarHBondContact O-N 3.05Å; I10-Y14 HydrophobicContact CG2-CD2 4.32Å; I10-Y14 WeakPolarHBondContact O-CD2 3.34Å; I10-Y14 PolarHBondContact O-N 2.73Å; I10-L39 HydrophobicContact CG2-CD1 4.1Å; I10-L39 HydrophobicContact CG2-CD2 3.33Å; I10-L39 HydrophobicContact CG2-CG 4.19Å |
| 11 | R | 78 | Confident | 81.5 | Confident | 109 Ų | 109 | 81.6 Ų | 81.6 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 176.9 | -75.3 | -164.5 | 66.5 | -139.9 | -0.6 | 113.1 | S7 A8 K13 Y14 P15 P19 Y84 | S7-R11 WeakPolarHBondContact O-CB 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.23Å; S7-R11 PolarHBondContact O-N 3.44Å; A8-R11 PolarHBondContact O-N 3.12Å; R11-K13 PolarHBondContact O-N 2.9Å; R11-Y14 CarbonylContact O-C 3.49Å; R11-Y14 VanDerWaalsContact O-C 3.25Å; R11-Y14 PolarHBondContact O-N 2.68Å; R11-P15 VanDerWaalsContact O-CA 3.28Å; R11-P15 WeakPolarHBondContact O-CA 3.31Å; R11-P15 VanDerWaalsContact O-N 3.16Å; R11-P19 HydrophobicContact CG-CG 4.34Å; R11-Y84 WeakPolarHBondContact CD-OH 3.47Å |
| 12 | A | 80.4 | Confident | 83.6 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 72% | 0.719 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.2 | -35 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A8 K9 | A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 3.08Å; K9-A12 PolarHBondContact O-N 2.84Å |
| 13 | K | 86.9 | Confident | 84.8 | Confident | 145 Ų | 145 | 67.6 Ų | 67.6 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -79.6 | -31.3 | 178.7 | -168.4 | 175.3 | -179.5 | -172.8 | 0 | 113.4 | K9 I10 R11 | K9-K13 WeakPolarHBondContact O-CB 3.44Å; K9-K13 PolarHBondContact O-N 3.38Å; I10-K13 PolarHBondContact O-N 3.05Å; R11-K13 PolarHBondContact O-N 2.9Å |
| 14 | Y | 87.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | trans | -134.8 | 75.6 | -177.3 | -54.8 | -72.9 | 0 | 0 | 0 | 109.8 | I10 R11 D16 R17 L39 | I10-Y14 HydrophobicContact CG2-CD2 4.32Å; I10-Y14 WeakPolarHBondContact O-CD2 3.34Å; I10-Y14 PolarHBondContact O-N 2.73Å; R11-Y14 CarbonylContact O-C 3.49Å; R11-Y14 VanDerWaalsContact O-C 3.25Å; R11-Y14 PolarHBondContact O-N 2.68Å; Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.14Å; Y14-R17 PolarHBondContact O-N 2.76Å; Y14-R17 VanDerWaalsContact O-N 3.1Å; Y14-L39 HydrophobicContact CD2-CD1 3.8Å; Y14-L39 HydrophobicContact CE2-CD1 3.99Å; Y14-L39 HydrophobicContact CG-CD1 4.46Å | ||
| 15 | P | 86.7 | Confident | 86.8 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -32.8 | -173.3 | 23.7 | -33.5 | 0 | 0 | 0 | 112.9 | R11 R17 | R11-P15 VanDerWaalsContact O-CA 3.28Å; R11-P15 WeakPolarHBondContact O-CA 3.31Å; R11-P15 VanDerWaalsContact O-N 3.16Å; P15-R17 PolarHBondContact O-N 2.85Å |
| 16 | D | 91.4 | Very high | 87.4 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 12 | -179.9 | -48.9 | -55.2 | 0 | 0 | 0 | 113.2 | Y14 S42 | Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.14Å; D16-S42 PolarHBondContact O-N 3.28Å; D16-S42 PolarHBondContact O-OG 3Å |
| 17 | R | 94.4 | Very high | 87.9 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.3 | -179.5 | -60.7 | -164.8 | -179.2 | -144.9 | 3.5 | 112.7 | Y14 P15 L39 V40 | Y14-R17 PolarHBondContact O-N 2.76Å; Y14-R17 VanDerWaalsContact O-N 3.1Å; P15-R17 PolarHBondContact O-N 2.85Å; R17-L39 HydrophobicContact CB-CD2 4.11Å; R17-L39 PolarHBondContact NH1-O 2.8Å; R17-V40 CarbonylContact C-O 3.58Å; R17-V40 VanDerWaalsContact CA-O 3.27Å; R17-V40 WeakPolarHBondContact CA-O 3.4Å |
| 18 | V | 95.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.6 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 109 | V20 V40 Y84 L94 | V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG1-CG2 3.65Å; V18-V20 PolarHBondContact O-N 2.65Å; V18-V40 PolarHBondContact N-O 3.4Å; V18-V40 PolarHBondContact O-N 2.97Å; V18-Y84 HydrophobicContact CG1-CD2 3.35Å; V18-Y84 HydrophobicContact CG1-CE2 4.18Å; V18-Y84 HydrophobicContact CG1-CG 3.61Å; V18-Y84 HydrophobicContact CG2-CG 4.32Å; V18-L94 HydrophobicContact CG1-CB 4.47Å |
| 19 | P | 96.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.8 | 169.6 | 32.1 | -33.7 | 0 | 0 | 0 | 109.9 | R11 L39 Y84 G92 F93 L94 | R11-P19 HydrophobicContact CG-CG 4.34Å; P19-L39 HydrophobicContact CB-CD2 4.4Å; P19-Y84 HydrophobicContact CG-CE2 4.08Å; P19-G92 WeakPolarHBondContact CG-O 3.44Å; P19-F93 HydrophobicContact CB-CD1 3.67Å; P19-F93 HydrophobicContact CB-CE1 3.78Å; P19-F93 HydrophobicContact CB-CG 4.47Å; P19-F93 HydrophobicContact CG-CD1 4.4Å; P19-L94 PolarHBondContact O-N 3.32Å |
| 20 | V | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.9 | -176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | V18 V22 Y38 V40 F49 M80 L94 V96 | V18-V20 HydrophobicContact CB-CG2 4.27Å; V18-V20 HydrophobicContact CG1-CG2 3.65Å; V18-V20 PolarHBondContact O-N 2.65Å; V20-V22 HydrophobicContact CG1-CG2 3.94Å; V20-Y38 PolarHBondContact N-O 3.33Å; V20-Y38 PolarHBondContact O-N 3.17Å; V20-V40 HydrophobicContact CB-CG2 4.07Å; V20-V40 HydrophobicContact CG2-CB 4.14Å; V20-V40 HydrophobicContact CG2-CG2 3.6Å; V20-F49 HydrophobicContact CG1-CE1 4.24Å; V20-F49 HydrophobicContact CG1-CZ 3.96Å; V20-M80 HydrophobicContact CG2-CE 3.9Å; V20-L94 CarbonylContact C-O 3.6Å; V20-L94 WeakPolarHBondContact CA-O 3.36Å; V20-L94 HydrophobicContact CG2-CB 4.44Å; V20-L94 HydrophobicContact CG2-CD2 4.3Å; V20-V96 HydrophobicContact CG1-CB 4.24Å; V20-V96 HydrophobicContact CG1-CG2 3.61Å |
| 21 | I | 96.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.046 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 169.6 | -55.6 | -63 | 0 | 0 | 0 | 107.8 | E23 R36 K37 F93 L94 Y95 V96 | I21-E23 HydrophobicContact CG2-CG 4.01Å; I21-R36 CarbonylContact C-O 3.53Å; I21-R36 WeakPolarHBondContact CA-O 3.35Å; I21-K37 HydrophobicContact CD1-CB 4.28Å; I21-K37 HydrophobicContact CD1-CD 4.14Å; I21-K37 HydrophobicContact CD1-CG 3.64Å; I21-F93 HydrophobicContact CD1-CD1 3.66Å; I21-F93 HydrophobicContact CD1-CE1 4.02Å; I21-F93 HydrophobicContact CD1-CG 4.3Å; I21-F93 HydrophobicContact CG1-CB 3.9Å; I21-F93 HydrophobicContact CG1-CD1 3.71Å; I21-F93 HydrophobicContact CG1-CG 3.97Å; I21-L94 PolarHBondContact N-O 3.04Å; I21-Y95 HydrophobicContact CB-CD1 3.92Å; I21-Y95 HydrophobicContact CB-CE1 4.14Å; I21-Y95 HydrophobicContact CB-CG 4.46Å; I21-Y95 HydrophobicContact CG1-CD1 4.45Å; I21-Y95 HydrophobicContact CG1-CE1 4.23Å; I21-Y95 HydrophobicContact CG2-CD1 4.03Å; I21-Y95 HydrophobicContact CG2-CE1 4.12Å; I21-V96 PolarHBondContact O-N 3.19Å |
| 22 | V | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.3 | -178.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | V20 I33 R36 Y38 F49 I53 V96 Y98 | V20-V22 HydrophobicContact CG1-CG2 3.94Å; V22-I33 HydrophobicContact CG1-CD1 4.06Å; V22-R36 PolarHBondContact N-O 2.94Å; V22-R36 WeakPolarHBondContact O-CB 3.27Å; V22-R36 WeakPolarHBondContact O-CG 3.39Å; V22-Y38 HydrophobicContact CB-CD2 4.1Å; V22-Y38 HydrophobicContact CB-CE2 4Å; V22-Y38 HydrophobicContact CG2-CD2 3.56Å; V22-Y38 HydrophobicContact CG2-CE2 3.88Å; V22-F49 HydrophobicContact CG2-CE1 4.25Å; V22-F49 HydrophobicContact CG2-CZ 3.7Å; V22-I53 HydrophobicContact CG1-CD1 4.11Å; V22-I53 HydrophobicContact CG2-CD1 4.1Å; V22-V96 VanDerWaalsContact CA-O 3.29Å; V22-V96 WeakPolarHBondContact CA-O 3.48Å; V22-Y98 HydrophobicContact CG1-CD1 3.68Å; V22-Y98 HydrophobicContact CG1-CE1 4.02Å |
| 23 | E | 94.5 | Very high | 92 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.7 | -178.8 | -56.9 | -159.5 | 107.6 | 0 | 0 | 112 | I21 R36 V96 A97 Y98 | I21-E23 HydrophobicContact CG2-CG 4.01Å; E23-R36 IonicContact OE1-CZ 4Å; E23-R36 IonicContact OE1-NH1 3.01Å; E23-R36 PolarHBondContact OE1-NH1 2.75Å; E23-V96 PolarHBondContact N-O 3.48Å; E23-A97 CarbonylContact O-C 3.52Å; E23-A97 WeakPolarHBondContact O-CA 3.32Å; E23-Y98 WeakPolarHBondContact O-CD1 3.34Å; E23-Y98 PolarHBondContact O-N 3.25Å |
| 24 | K | 94.3 | Very high | 92 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.9 | 173.4 | -169.3 | 178.4 | 68.6 | 177 | 0 | 109.4 | S26 I30 D32 Y98 | K24-S26 PolarHBondContact O-N 2.77Å; K24-I30 HydrophobicContact CD-CG2 3.68Å; K24-I30 WeakPolarHBondContact CD-O 3.33Å; K24-I30 HydrophobicContact CG-CG2 3.74Å; K24-I30 PolarHBondContact NZ-O 2.89Å; K24-D32 WeakPolarHBondContact CE-OD1 3.21Å; K24-D32 VanDerWaalsContact NZ-CG 3.26Å; K24-D32 IonicContact NZ-OD1 3.17Å; K24-D32 PolarHBondContact NZ-OD1 2.89Å; K24-D32 IonicContact NZ-OD2 2.75Å; K24-D32 PolarHBondContact NZ-OD2 2.94Å; K24-Y98 HydrophobicContact CB-CE1 3.88Å; K24-Y98 HydrophobicContact CB-CE2 4.28Å; K24-Y98 HydrophobicContact CG-CE2 4.08Å |
| 25 | V | 92.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 132.3 | 170.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | G27 S28 F68 A97 Y98 F104 | V25-G27 PolarHBondContact O-N 2.93Å; V25-S28 VanDerWaalsContact O-CB 3.22Å; V25-S28 WeakPolarHBondContact O-CB 3Å; V25-S28 PolarHBondContact O-N 3.45Å; V25-S28 VanDerWaalsContact O-N 3.15Å; V25-F68 HydrophobicContact CG2-CD2 4.36Å; V25-A97 HydrophobicContact CG2-CB 3.79Å; V25-Y98 PolarHBondContact N-O 2.83Å; V25-F104 HydrophobicContact CG2-CE2 4.16Å; V25-F104 HydrophobicContact CG2-CZ 4.5Å |
| 26 | S | 88.4 | Confident | 92.5 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 83% | 0.825 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 135.4 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | K24 S28 | K24-S26 PolarHBondContact O-N 2.77Å; S26-S28 PolarHBondContact O-N 3.1Å |
| 27 | G | 85.9 | Confident | 92.7 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -13.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V25 Q29 | V25-G27 PolarHBondContact O-N 2.93Å; G27-Q29 PolarHBondContact O-N 3.01Å; G27-Q29 PolarHBondContact O-NE2 2.81Å; G27-Q29 VanDerWaalsContact O-NE2 3.09Å |
| 28 | S | 89 | Confident | 92.7 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | trans | -66 | 132.7 | 177.5 | -162.9 | 0 | 0 | 0 | 0 | 111.6 | V25 S26 I30 S99 G100 | V25-S28 VanDerWaalsContact O-CB 3.22Å; V25-S28 WeakPolarHBondContact O-CB 3Å; V25-S28 PolarHBondContact O-N 3.45Å; V25-S28 VanDerWaalsContact O-N 3.15Å; S26-S28 PolarHBondContact O-N 3.1Å; S28-I30 PolarHBondContact O-N 3Å; S28-I30 WeakPolarHBondContact OG-CG2 3.27Å; S28-S99 PolarHBondContact OG-OG 3.31Å; S28-G100 PolarHBondContact OG-N 3.29Å | ||
| 29 | Q | 88.4 | Confident | 92.7 | Very high | 181 Ų | 181 | 63 Ų | 63 | 85% | 0.846 | 33% | 0.329 | S | S | * | . | trans | -80.4 | 4.5 | 178.4 | -58.4 | -57.1 | -59.9 | 0 | 0 | 113.2 | G27 | G27-Q29 PolarHBondContact O-N 3.01Å; G27-Q29 PolarHBondContact O-NE2 2.81Å; G27-Q29 VanDerWaalsContact O-NE2 3.09Å | ||
| 30 | I | 92.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -72.5 | 152.7 | 175.5 | -161.3 | 162.7 | 0 | 0 | 0 | 110.9 | K24 S28 I57 L59 I65 Y98 | K24-I30 HydrophobicContact CD-CG2 3.68Å; K24-I30 WeakPolarHBondContact CD-O 3.33Å; K24-I30 HydrophobicContact CG-CG2 3.74Å; K24-I30 PolarHBondContact NZ-O 2.89Å; S28-I30 PolarHBondContact O-N 3Å; S28-I30 WeakPolarHBondContact OG-CG2 3.27Å; I30-I57 HydrophobicContact CD1-CD1 3.72Å; I30-I57 HydrophobicContact CG1-CD1 3.73Å; I30-L59 HydrophobicContact CD1-CD1 4.18Å; I30-L59 HydrophobicContact CD1-CD2 3.92Å; I30-L59 HydrophobicContact CG1-CD1 4.03Å; I30-I65 HydrophobicContact CD1-CB 4.13Å; I30-I65 HydrophobicContact CD1-CD1 4.15Å; I30-I65 HydrophobicContact CD1-CG1 3.89Å; I30-Y98 HydrophobicContact CD1-CD2 4.15Å; I30-Y98 HydrophobicContact CD1-CE2 4.36Å; I30-Y98 HydrophobicContact CG1-CE2 4.32Å; I30-Y98 HydrophobicContact CG2-CD2 3.86Å; I30-Y98 HydrophobicContact CG2-CE2 3.58Å |
| 31 | V | 93.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 142.1 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | I57 Y98 | V31-I57 HydrophobicContact CB-CB 4.39Å; V31-Y98 WeakPolarHBondContact O-CE2 3.28Å; V31-Y98 PolarHBondContact O-OH 3.12Å |
| 32 | D | 92.1 | Very high | 92.7 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 145.5 | 175.3 | -72.2 | -77.6 | 0 | 0 | 0 | 112.4 | K24 Y98 | K24-D32 WeakPolarHBondContact CE-OD1 3.21Å; K24-D32 VanDerWaalsContact NZ-CG 3.26Å; K24-D32 IonicContact NZ-OD1 3.17Å; K24-D32 PolarHBondContact NZ-OD1 2.89Å; K24-D32 IonicContact NZ-OD2 2.75Å; K24-D32 PolarHBondContact NZ-OD2 2.94Å; D32-Y98 WeakPolarHBondContact CA-OH 3.34Å |
| 33 | I | 93.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 138.9 | 176.9 | -159.7 | 164.9 | 0 | 0 | 0 | 110.7 | V22 K35 R36 Y38 I53 R56 I57 Y98 | V22-I33 HydrophobicContact CG1-CD1 4.06Å; I33-K35 PolarHBondContact O-N 3.41Å; I33-R36 HydrophobicContact CG2-CG 4.33Å; I33-Y38 HydrophobicContact CD1-CE2 3.82Å; I33-Y38 WeakPolarHBondContact CD1-OH 3.03Å; I33-Y38 VanDerWaalsContact CG1-OH 3.27Å; I33-Y38 WeakPolarHBondContact CG1-OH 3.37Å; I33-I53 HydrophobicContact CD1-CD1 3.87Å; I33-I53 HydrophobicContact CD1-CG2 4.2Å; I33-R56 HydrophobicContact CD1-CB 4.31Å; I33-R56 HydrophobicContact CG1-CB 4.38Å; I33-I57 HydrophobicContact CB-CG2 3.86Å; I33-I57 HydrophobicContact CD1-CG2 4.37Å; I33-I57 HydrophobicContact CG1-CG2 3.97Å; I33-Y98 HydrophobicContact CB-CE1 4.2Å; I33-Y98 HydrophobicContact CG2-CE1 4.02Å; I33-Y98 PolarHBondContact N-OH 3.41Å |
| 34 | D | 88.1 | Confident | 92.8 | Very high | 101 Ų | 101 | 69.9 Ų | 69.9 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -66.9 | -37.7 | -175.5 | 69.8 | -66.6 | 0 | 0 | 0 | 112.7 | ||
| 35 | K | 91.3 | Very high | 93 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | trans | -127 | 135.6 | -179.1 | -74.2 | 171 | -168.7 | -173.3 | 0 | 108.9 | I33 Y38 | I33-K35 PolarHBondContact O-N 3.41Å; K35-Y38 WeakPolarHBondContact O-CE2 3.14Å; K35-Y38 VanDerWaalsContact O-CZ 3.26Å; K35-Y38 PolarHBondContact O-OH 2.94Å | ||
| 36 | R | 93.5 | Very high | 93.3 | Very high | 140 Ų | 140 | 68.4 Ų | 68.4 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | trans | -96.8 | -25.2 | 179.3 | -59.3 | -175.5 | -172.7 | -174.2 | 4.5 | 113.1 | I21 V22 E23 I33 | I21-R36 CarbonylContact C-O 3.53Å; I21-R36 WeakPolarHBondContact CA-O 3.35Å; V22-R36 PolarHBondContact N-O 2.94Å; V22-R36 WeakPolarHBondContact O-CB 3.27Å; V22-R36 WeakPolarHBondContact O-CG 3.39Å; E23-R36 IonicContact OE1-CZ 4Å; E23-R36 IonicContact OE1-NH1 3.01Å; E23-R36 PolarHBondContact OE1-NH1 2.75Å; I33-R36 HydrophobicContact CG2-CG 4.33Å | ||
| 37 | K | 94.2 | Very high | 93.7 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.9 | -177.9 | -53.7 | -164.6 | 178.4 | -179.5 | 0 | 110.7 | I21 | I21-K37 HydrophobicContact CD1-CB 4.28Å; I21-K37 HydrophobicContact CD1-CD 4.14Å; I21-K37 HydrophobicContact CD1-CG 3.64Å |
| 38 | Y | 94.7 | Very high | 94.2 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 13% | 0.125 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.2 | 179.4 | -68.8 | -88 | 0 | 0 | 0 | 112 | V20 V22 I33 K35 I53 | V20-Y38 PolarHBondContact N-O 3.33Å; V20-Y38 PolarHBondContact O-N 3.17Å; V22-Y38 HydrophobicContact CB-CD2 4.1Å; V22-Y38 HydrophobicContact CB-CE2 4Å; V22-Y38 HydrophobicContact CG2-CD2 3.56Å; V22-Y38 HydrophobicContact CG2-CE2 3.88Å; I33-Y38 HydrophobicContact CD1-CE2 3.82Å; I33-Y38 WeakPolarHBondContact CD1-OH 3.03Å; I33-Y38 VanDerWaalsContact CG1-OH 3.27Å; I33-Y38 WeakPolarHBondContact CG1-OH 3.37Å; K35-Y38 WeakPolarHBondContact O-CE2 3.14Å; K35-Y38 VanDerWaalsContact O-CZ 3.26Å; K35-Y38 PolarHBondContact O-OH 2.94Å; Y38-I53 HydrophobicContact CE2-CD1 4.4Å |
| 39 | L | 95 | Very high | 94.6 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 98 | 166.9 | -85.6 | 174 | 0 | 0 | 0 | 108.8 | I10 Y14 R17 P19 | I10-L39 HydrophobicContact CG2-CD1 4.1Å; I10-L39 HydrophobicContact CG2-CD2 3.33Å; I10-L39 HydrophobicContact CG2-CG 4.19Å; Y14-L39 HydrophobicContact CD2-CD1 3.8Å; Y14-L39 HydrophobicContact CE2-CD1 3.99Å; Y14-L39 HydrophobicContact CG-CD1 4.46Å; R17-L39 HydrophobicContact CB-CD2 4.11Å; R17-L39 PolarHBondContact NH1-O 2.8Å; P19-L39 HydrophobicContact CB-CD2 4.4Å |
| 40 | V | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.5 | -169.7 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | R17 V18 V20 I44 F49 M80 | R17-V40 CarbonylContact C-O 3.58Å; R17-V40 VanDerWaalsContact CA-O 3.27Å; R17-V40 WeakPolarHBondContact CA-O 3.4Å; V18-V40 PolarHBondContact N-O 3.4Å; V18-V40 PolarHBondContact O-N 2.97Å; V20-V40 HydrophobicContact CB-CG2 4.07Å; V20-V40 HydrophobicContact CG2-CB 4.14Å; V20-V40 HydrophobicContact CG2-CG2 3.6Å; V40-I44 HydrophobicContact CG1-CD1 3.36Å; V40-I44 HydrophobicContact CG1-CG1 3.8Å; V40-F49 HydrophobicContact CB-CE2 4.47Å; V40-F49 HydrophobicContact CG1-CD2 3.8Å; V40-F49 HydrophobicContact CG1-CE2 4.16Å; V40-F49 HydrophobicContact CG2-CD2 3.98Å; V40-F49 HydrophobicContact CG2-CE2 3.44Å; V40-F49 VanDerWaalsContact CG2-CE2 3.44Å; V40-F49 HydrophobicContact CG2-CZ 4.13Å; V40-M80 HydrophobicContact CG1-CB 4.26Å; V40-M80 HydrophobicContact CG1-CE 4.5Å; V40-M80 HydrophobicContact CG1-CG 3.9Å |
| 41 | P | 97.2 | Very high | 95.1 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 140.4 | 172.3 | -22.8 | 33.9 | 0 | 0 | 0 | 111.4 | D43 I44 | P41-D43 VanDerWaalsContact C-N 3.27Å; P41-D43 WeakPolarHBondContact CB-OD1 3.11Å; P41-D43 PolarHBondContact O-N 2.75Å; P41-I44 HydrophobicContact CB-CG2 4.17Å; P41-I44 HydrophobicContact CG-CG2 4.44Å |
| 42 | S | 96.9 | Very high | 95.2 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -23.3 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | D16 T79 G81 | D16-S42 PolarHBondContact O-N 3.28Å; D16-S42 PolarHBondContact O-OG 3Å; S42-T79 WeakPolarHBondContact O-CB 3.45Å; S42-G81 PolarHBondContact O-N 2.92Å |
| 43 | D | 95.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 61 Ų | 61 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -19.6 | -173.1 | 63.2 | -36.9 | 0 | 0 | 0 | 114.4 | P41 | P41-D43 VanDerWaalsContact C-N 3.27Å; P41-D43 WeakPolarHBondContact CB-OD1 3.11Å; P41-D43 PolarHBondContact O-N 2.75Å |
| 44 | I | 97.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -71.6 | 149.4 | 177.7 | 72.5 | 167.9 | 0 | 0 | 0 | 111.1 | V40 P41 Q48 F49 I52 T79 M80 | V40-I44 HydrophobicContact CG1-CD1 3.36Å; V40-I44 HydrophobicContact CG1-CG1 3.8Å; P41-I44 HydrophobicContact CB-CG2 4.17Å; P41-I44 HydrophobicContact CG-CG2 4.44Å; I44-Q48 VanDerWaalsContact CA-OE1 3.3Å; I44-Q48 HydrophobicContact CB-CB 4.27Å; I44-F49 HydrophobicContact CD1-CB 4.12Å; I44-F49 HydrophobicContact CD1-CD2 4.38Å; I44-I52 HydrophobicContact CD1-CD1 3.76Å; I44-T79 CarbonylContact O-C 3.25Å; I44-T79 VanDerWaalsContact O-CA 3.29Å; I44-T79 WeakPolarHBondContact O-CA 3.34Å; I44-M80 HydrophobicContact CD1-CG 4.34Å; I44-M80 HydrophobicContact CG1-CB 4.43Å; I44-M80 HydrophobicContact CG1-CG 3.76Å; I44-M80 PolarHBondContact O-N 3.47Å |
| 45 | T | 98.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 160.3 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | A47 Q48 F49 L78 | T45-A47 PolarHBondContact O-N 2.9Å; T45-Q48 WeakPolarHBondContact O-CB 3.07Å; T45-Q48 PolarHBondContact O-N 2.85Å; T45-Q48 VanDerWaalsContact O-N 3.09Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-N 2.95Å; T45-F49 PolarHBondContact O-N 2.85Å; T45-L78 CarbonylContact C-O 3.48Å; T45-L78 VanDerWaalsContact CA-O 3.22Å; T45-L78 WeakPolarHBondContact CA-O 3.14Å |
| 46 | V | 97.4 | Very high | 96 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.3 | -40 | 170.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Q48 F49 M50 P74 L78 M80 L83 | V46-Q48 PolarHBondContact O-N 2.83Å; V46-F49 PolarHBondContact O-N 3.05Å; V46-M50 WeakPolarHBondContact O-CB 3.29Å; V46-M50 PolarHBondContact O-N 3.22Å; V46-P74 HydrophobicContact CG1-CB 4.35Å; V46-P74 HydrophobicContact CG1-CG 3.83Å; V46-P74 HydrophobicContact CG2-CB 4.46Å; V46-L78 HydrophobicContact CG2-CB 4.29Å; V46-L78 WeakPolarHBondContact CG2-O 3.21Å; V46-L78 PolarHBondContact N-O 3.23Å; V46-M80 HydrophobicContact CG2-SD 4.19Å; V46-L83 HydrophobicContact CG2-CD2 3.67Å |
| 47 | A | 97.1 | Very high | 96 | Very high | 44 Ų | 44 | 58.6 Ų | 58.6 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T45 M50 W51 S76 | T45-A47 PolarHBondContact O-N 2.9Å; A47-M50 PolarHBondContact O-N 2.98Å; A47-W51 PolarHBondContact O-N 3.49Å; A47-S76 PolarHBondContact N-O 3.44Å; A47-S76 VanDerWaalsContact N-O 3.12Å |
| 48 | Q | 97.8 | Very high | 96.1 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.8 | -70.8 | 172.7 | -39.1 | 0 | 0 | 111.1 | I44 T45 V46 W51 I52 | I44-Q48 VanDerWaalsContact CA-OE1 3.3Å; I44-Q48 HydrophobicContact CB-CB 4.27Å; T45-Q48 WeakPolarHBondContact O-CB 3.07Å; T45-Q48 PolarHBondContact O-N 2.85Å; T45-Q48 VanDerWaalsContact O-N 3.09Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-N 2.95Å; V46-Q48 PolarHBondContact O-N 2.83Å; Q48-W51 WeakPolarHBondContact O-CB 3.24Å; Q48-W51 PolarHBondContact O-N 2.93Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å |
| 49 | F | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.7 | -175.8 | -117.5 | 0 | 0 | 0 | 112.2 | V20 V22 V40 I44 T45 V46 W51 I52 I53 L67 M80 V96 | V20-F49 HydrophobicContact CG1-CE1 4.24Å; V20-F49 HydrophobicContact CG1-CZ 3.96Å; V22-F49 HydrophobicContact CG2-CE1 4.25Å; V22-F49 HydrophobicContact CG2-CZ 3.7Å; V40-F49 HydrophobicContact CB-CE2 4.47Å; V40-F49 HydrophobicContact CG1-CD2 3.8Å; V40-F49 HydrophobicContact CG1-CE2 4.16Å; V40-F49 HydrophobicContact CG2-CD2 3.98Å; V40-F49 HydrophobicContact CG2-CE2 3.44Å; V40-F49 VanDerWaalsContact CG2-CE2 3.44Å; V40-F49 HydrophobicContact CG2-CZ 4.13Å; I44-F49 HydrophobicContact CD1-CB 4.12Å; I44-F49 HydrophobicContact CD1-CD2 4.38Å; T45-F49 PolarHBondContact O-N 2.85Å; V46-F49 PolarHBondContact O-N 3.05Å; F49-W51 VanDerWaalsContact C-N 3.27Å; F49-W51 PolarHBondContact O-N 3.33Å; F49-I52 WeakPolarHBondContact O-CA 3.3Å; F49-I52 WeakPolarHBondContact O-CB 3.47Å; F49-I52 PolarHBondContact O-N 3.21Å; F49-I53 HydrophobicContact CD1-CG1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 4.34Å; F49-I53 HydrophobicContact CE1-CG1 4.07Å; F49-I53 HydrophobicContact CE2-CD1 3.98Å; F49-I53 HydrophobicContact CE2-CG1 4.29Å; F49-I53 HydrophobicContact CZ-CD1 3.78Å; F49-I53 HydrophobicContact CZ-CG1 4Å; F49-I53 WeakPolarHBondContact O-CG1 3.42Å; F49-I53 PolarHBondContact O-N 3.17Å; F49-L67 HydrophobicContact CD1-CD1 3.94Å; F49-L67 HydrophobicContact CE1-CD1 4.48Å; F49-M80 HydrophobicContact CB-CE 4.47Å; F49-M80 HydrophobicContact CB-CG 4.12Å; F49-M80 HydrophobicContact CB-SD 3.69Å; F49-M80 HydrophobicContact CD1-CE 3.67Å; F49-M80 HydrophobicContact CD1-SD 3.8Å; F49-M80 HydrophobicContact CD2-CE 4.38Å; F49-M80 HydrophobicContact CE1-CE 3.91Å; F49-M80 HydrophobicContact CG-CE 3.92Å; F49-M80 HydrophobicContact CG-CG 4.44Å; F49-M80 HydrophobicContact CG-SD 3.79Å; F49-M80 HydrophobicContact CZ-CE 4.37Å; F49-V96 HydrophobicContact CE1-CG1 4.32Å; F49-V96 HydrophobicContact CE1-CG2 4.3Å |
| 50 | M | 95.9 | Very high | 96 | Very high | 53 Ų | 53 | 60 Ų | 60 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.5 | -41.8 | 173.3 | -177.3 | -176.5 | -173.9 | 0 | 0 | 112.3 | V46 A47 I53 R54 I65 L67 | V46-M50 WeakPolarHBondContact O-CB 3.29Å; V46-M50 PolarHBondContact O-N 3.22Å; A47-M50 PolarHBondContact O-N 2.98Å; M50-I53 PolarHBondContact O-N 3.16Å; M50-R54 WeakPolarHBondContact O-CB 3.37Å; M50-R54 PolarHBondContact O-N 3.07Å; M50-I65 HydrophobicContact CE-CB 4.49Å; M50-I65 HydrophobicContact CE-CG2 3.6Å; M50-I65 WeakPolarHBondContact CE-O 3.39Å; M50-I65 HydrophobicContact CG-CG2 4.14Å; M50-L67 HydrophobicContact CB-CD1 3.69Å; M50-L67 HydrophobicContact CB-CG 4.17Å; M50-L67 HydrophobicContact CG-CD1 4.21Å; M50-L67 HydrophobicContact CG-CG 4.12Å |
| 51 | W | 95.3 | Very high | 95.7 | Very high | 144 Ų | 144 | 64.1 Ų | 64.1 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 174.6 | -178.9 | 90.5 | 0 | 0 | 0 | 112.9 | A47 Q48 F49 R54 K55 | A47-W51 PolarHBondContact O-N 3.49Å; Q48-W51 WeakPolarHBondContact O-CB 3.24Å; Q48-W51 PolarHBondContact O-N 2.93Å; F49-W51 VanDerWaalsContact C-N 3.27Å; F49-W51 PolarHBondContact O-N 3.33Å; W51-R54 WeakPolarHBondContact O-CB 3.36Å; W51-R54 PolarHBondContact O-N 2.98Å; W51-K55 HydrophobicContact CD2-CD 4.24Å; W51-K55 HydrophobicContact CE3-CD 4.14Å; W51-K55 HydrophobicContact CH2-CD 3.69Å; W51-K55 VanDerWaalsContact CH2-CE 3.44Å; W51-K55 HydrophobicContact CZ2-CD 3.73Å; W51-K55 HydrophobicContact CZ3-CD 3.86Å; W51-K55 PolarHBondContact O-N 3.28Å |
| 52 | I | 95.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 30% | 0.303 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 173.6 | -67.9 | 164.8 | 0 | 0 | 0 | 110.3 | I44 Q48 F49 R54 K55 R56 | I44-I52 HydrophobicContact CD1-CD1 3.76Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 3.42Å; F49-I52 WeakPolarHBondContact O-CA 3.3Å; F49-I52 WeakPolarHBondContact O-CB 3.47Å; F49-I52 PolarHBondContact O-N 3.21Å; I52-R54 PolarHBondContact O-N 3Å; I52-K55 PolarHBondContact O-N 3.04Å; I52-R56 HydrophobicContact CG2-CG 4.5Å; I52-R56 WeakPolarHBondContact O-CG 3.44Å; I52-R56 PolarHBondContact O-N 3.4Å |
| 53 | I | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.5 | -61.9 | -51.4 | 0 | 0 | 0 | 110.5 | V22 I33 Y38 F49 M50 K55 R56 I57 I65 Y98 | V22-I53 HydrophobicContact CG1-CD1 4.11Å; V22-I53 HydrophobicContact CG2-CD1 4.1Å; I33-I53 HydrophobicContact CD1-CD1 3.87Å; I33-I53 HydrophobicContact CD1-CG2 4.2Å; Y38-I53 HydrophobicContact CE2-CD1 4.4Å; F49-I53 HydrophobicContact CD1-CG1 4.43Å; F49-I53 HydrophobicContact CE1-CD1 4.34Å; F49-I53 HydrophobicContact CE1-CG1 4.07Å; F49-I53 HydrophobicContact CE2-CD1 3.98Å; F49-I53 HydrophobicContact CE2-CG1 4.29Å; F49-I53 HydrophobicContact CZ-CD1 3.78Å; F49-I53 HydrophobicContact CZ-CG1 4Å; F49-I53 WeakPolarHBondContact O-CG1 3.42Å; F49-I53 PolarHBondContact O-N 3.17Å; M50-I53 PolarHBondContact O-N 3.16Å; I53-K55 VanDerWaalsContact C-N 3.29Å; I53-K55 PolarHBondContact O-N 3.49Å; I53-R56 WeakPolarHBondContact O-CB 3.47Å; I53-R56 PolarHBondContact O-N 2.92Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 2.94Å; I53-I65 HydrophobicContact CG2-CD1 3.92Å; I53-Y98 HydrophobicContact CG2-CG 4.48Å |
| 54 | R | 95.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.5 | -46.5 | 176 | -165.7 | -177.1 | -143.8 | 173.2 | 5.2 | 112.5 | M50 W51 I52 I57 Q58 L59 S61 K63 I65 | M50-R54 WeakPolarHBondContact O-CB 3.37Å; M50-R54 PolarHBondContact O-N 3.07Å; W51-R54 WeakPolarHBondContact O-CB 3.36Å; W51-R54 PolarHBondContact O-N 2.98Å; I52-R54 PolarHBondContact O-N 3Å; R54-I57 WeakPolarHBondContact O-CG1 3.13Å; R54-Q58 PolarHBondContact O-N 3.03Å; R54-L59 HydrophobicContact CG-CB 3.82Å; R54-L59 HydrophobicContact CG-CD2 4.15Å; R54-L59 HydrophobicContact CG-CG 4.47Å; R54-L59 PolarHBondContact O-N 2.99Å; R54-S61 PolarHBondContact NH2-O 3.32Å; R54-K63 PolarHBondContact NH2-O 3.28Å; R54-I65 HydrophobicContact CG-CG2 4.47Å |
| 55 | K | 94.5 | Very high | 94.9 | Very high | 127 Ų | 127 | 69.9 Ų | 69.9 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 176.5 | -81.3 | -167.7 | 162.9 | -174.4 | 0 | 112.8 | W51 I52 I53 Q58 | W51-K55 HydrophobicContact CD2-CD 4.24Å; W51-K55 HydrophobicContact CE3-CD 4.14Å; W51-K55 HydrophobicContact CH2-CD 3.69Å; W51-K55 VanDerWaalsContact CH2-CE 3.44Å; W51-K55 HydrophobicContact CZ2-CD 3.73Å; W51-K55 HydrophobicContact CZ3-CD 3.86Å; W51-K55 PolarHBondContact O-N 3.28Å; I52-K55 PolarHBondContact O-N 3.04Å; I53-K55 VanDerWaalsContact C-N 3.29Å; I53-K55 PolarHBondContact O-N 3.49Å; K55-Q58 PolarHBondContact O-N 3.3Å |
| 56 | R | 94.7 | Very high | 94.7 | Very high | 132 Ų | 132 | 70.7 Ų | 70.7 | 50% | 0.498 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 179.4 | -75.4 | -72.8 | -179.4 | 175.4 | -4.3 | 112.5 | I33 I52 I53 Q58 | I33-R56 HydrophobicContact CD1-CB 4.31Å; I33-R56 HydrophobicContact CG1-CB 4.38Å; I52-R56 HydrophobicContact CG2-CG 4.5Å; I52-R56 WeakPolarHBondContact O-CG 3.44Å; I52-R56 PolarHBondContact O-N 3.4Å; I53-R56 WeakPolarHBondContact O-CB 3.47Å; I53-R56 PolarHBondContact O-N 2.92Å; R56-Q58 PolarHBondContact O-N 3.36Å |
| 57 | I | 94.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.046 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 6.5 | 177.2 | 65 | 163.2 | 0 | 0 | 0 | 113.2 | I30 V31 I33 I53 R54 L59 I65 Y98 | I30-I57 HydrophobicContact CD1-CD1 3.72Å; I30-I57 HydrophobicContact CG1-CD1 3.73Å; V31-I57 HydrophobicContact CB-CB 4.39Å; I33-I57 HydrophobicContact CB-CG2 3.86Å; I33-I57 HydrophobicContact CD1-CG2 4.37Å; I33-I57 HydrophobicContact CG1-CG2 3.97Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 2.94Å; R54-I57 WeakPolarHBondContact O-CG1 3.13Å; I57-L59 HydrophobicContact CD1-CB 3.78Å; I57-L59 HydrophobicContact CD1-CD1 4.34Å; I57-L59 HydrophobicContact CD1-CD2 4.29Å; I57-L59 HydrophobicContact CD1-CG 4.38Å; I57-L59 HydrophobicContact CG1-CB 3.81Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.16Å; I57-I65 HydrophobicContact CD1-CD1 4.05Å; I57-Y98 HydrophobicContact CD1-CE2 4.17Å; I57-Y98 HydrophobicContact CG2-CE2 4.47Å |
| 58 | Q | 94.8 | Very high | 94.5 | Very high | 170 Ų | 170 | 69 Ų | 69 | 79% | 0.794 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.4 | -178.7 | -55.9 | 178.9 | 36.8 | 0 | 0 | 113 | R54 K55 R56 P60 | R54-Q58 PolarHBondContact O-N 3.03Å; K55-Q58 PolarHBondContact O-N 3.3Å; R56-Q58 PolarHBondContact O-N 3.36Å; Q58-P60 WeakPolarHBondContact O-CD 3.48Å |
| 59 | L | 94.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | trans | -75.2 | 126.6 | -176.1 | -171.7 | 76.4 | 0 | 0 | 0 | 110.4 | I30 R54 I57 K63 I65 | I30-L59 HydrophobicContact CD1-CD1 4.18Å; I30-L59 HydrophobicContact CD1-CD2 3.92Å; I30-L59 HydrophobicContact CG1-CD1 4.03Å; R54-L59 HydrophobicContact CG-CB 3.82Å; R54-L59 HydrophobicContact CG-CD2 4.15Å; R54-L59 HydrophobicContact CG-CG 4.47Å; R54-L59 PolarHBondContact O-N 2.99Å; I57-L59 HydrophobicContact CD1-CB 3.78Å; I57-L59 HydrophobicContact CD1-CD1 4.34Å; I57-L59 HydrophobicContact CD1-CD2 4.29Å; I57-L59 HydrophobicContact CD1-CG 4.38Å; I57-L59 HydrophobicContact CG1-CB 3.81Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.16Å; L59-K63 HydrophobicContact CD1-CB 3.69Å; L59-K63 HydrophobicContact CD1-CD 3.78Å; L59-K63 HydrophobicContact CD1-CG 4.35Å; L59-K63 HydrophobicContact CD2-CB 4.11Å; L59-K63 HydrophobicContact CG-CB 3.81Å; L59-I65 HydrophobicContact CD2-CB 3.75Å; L59-I65 HydrophobicContact CD2-CG2 4.19Å | ||
| 60 | P | 93.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | trans | -56.4 | 152.2 | 174.7 | -24.9 | 34.2 | 0 | 0 | 0 | 112.9 | Q58 E62 K63 | Q58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-E62 WeakPolarHBondContact CB-OE2 3.29Å; P60-E62 PolarHBondContact O-N 2.81Å; P60-K63 PolarHBondContact O-N 3.09Å; P60-K63 VanDerWaalsContact O-N 3.16Å | ||
| 61 | S | 90.8 | Very high | 93.3 | Very high | 95 Ų | 95 | 74.8 Ų | 74.8 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.3 | 179.7 | 39.8 | 0 | 0 | 0 | 0 | 113.3 | R54 K63 | R54-S61 PolarHBondContact NH2-O 3.32Å; S61-K63 VanDerWaalsContact C-N 3.32Å |
| 62 | E | 92.2 | Very high | 93 | Very high | 164 Ų | 164 | 72 Ų | 72 | 77% | 0.766 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.1 | 179.6 | -52 | 102.6 | 122.6 | 0 | 0 | 113.2 | P60 | P60-E62 WeakPolarHBondContact CB-OE2 3.29Å; P60-E62 PolarHBondContact O-N 2.81Å |
| 63 | K | 92 | Very high | 92.9 | Very high | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.548 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -88.8 | 130.1 | 179.6 | -70.4 | -168 | 177.8 | -174.8 | 0 | 110.7 | R54 L59 P60 S61 | R54-K63 PolarHBondContact NH2-O 3.28Å; L59-K63 HydrophobicContact CD1-CB 3.69Å; L59-K63 HydrophobicContact CD1-CD 3.78Å; L59-K63 HydrophobicContact CD1-CG 4.35Å; L59-K63 HydrophobicContact CD2-CB 4.11Å; L59-K63 HydrophobicContact CG-CB 3.81Å; P60-K63 PolarHBondContact O-N 3.09Å; P60-K63 VanDerWaalsContact O-N 3.16Å; S61-K63 VanDerWaalsContact C-N 3.32Å |
| 64 | A | 91.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | -68.8 | 151.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F66 | A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.6Å; A64-F66 HydrophobicContact CB-CZ 4.06Å | ||
| 65 | I | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 76.2 Ų | 76.2 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | trans | -136.9 | 147.4 | 167.2 | -175.3 | 171.7 | 0 | 0 | 0 | 106.4 | I30 M50 I53 R54 I57 L59 Y98 S99 | I30-I65 HydrophobicContact CD1-CB 4.13Å; I30-I65 HydrophobicContact CD1-CD1 4.15Å; I30-I65 HydrophobicContact CD1-CG1 3.89Å; M50-I65 HydrophobicContact CE-CB 4.49Å; M50-I65 HydrophobicContact CE-CG2 3.6Å; M50-I65 WeakPolarHBondContact CE-O 3.39Å; M50-I65 HydrophobicContact CG-CG2 4.14Å; I53-I65 HydrophobicContact CG2-CD1 3.92Å; R54-I65 HydrophobicContact CG-CG2 4.47Å; I57-I65 HydrophobicContact CD1-CD1 4.05Å; L59-I65 HydrophobicContact CD2-CB 3.75Å; L59-I65 HydrophobicContact CD2-CG2 4.19Å; I65-Y98 HydrophobicContact CD1-CD2 4.2Å; I65-S99 CarbonylContact C-O 3.44Å; I65-S99 WeakPolarHBondContact CA-O 3.22Å | ||
| 66 | F | 93.9 | Very high | 92.9 | Very high | 53 Ų | 53 | 73.5 Ų | 73.5 | 23% | 0.232 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.3 | 176 | -60.9 | -89 | 0 | 0 | 0 | 108 | A64 F68 Y98 S99 E101 N102 | A64-F66 HydrophobicContact CB-CD2 4.47Å; A64-F66 HydrophobicContact CB-CE2 3.6Å; A64-F66 HydrophobicContact CB-CZ 4.06Å; F66-F68 HydrophobicContact CB-CE2 3.7Å; F66-F68 HydrophobicContact CB-CZ 3.78Å; F66-Y98 CarbonylContact O-C 3.53Å; F66-Y98 WeakPolarHBondContact O-CA 3.5Å; F66-S99 PolarHBondContact N-O 3.25Å; F66-S99 PolarHBondContact O-N 3.16Å; F66-E101 VanDerWaalsContact CD2-O 3.29Å; F66-E101 WeakPolarHBondContact CD2-O 3.16Å; F66-N102 HydrophobicContact CD1-CB 3.83Å; F66-N102 WeakPolarHBondContact CD1-OD1 3.19Å; F66-N102 HydrophobicContact CD2-CB 4.19Å; F66-N102 HydrophobicContact CE1-CB 3.54Å; F66-N102 WeakPolarHBondContact CE1-OD1 3.36Å; F66-N102 HydrophobicContact CE2-CB 3.91Å; F66-N102 HydrophobicContact CG-CB 4.15Å; F66-N102 HydrophobicContact CZ-CB 3.59Å |
| 67 | L | 95.1 | Very high | 93 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146 | 172.1 | -61.7 | -174.7 | 0 | 0 | 0 | 109 | F49 M50 P74 V96 A97 | F49-L67 HydrophobicContact CD1-CD1 3.94Å; F49-L67 HydrophobicContact CE1-CD1 4.48Å; M50-L67 HydrophobicContact CB-CD1 3.69Å; M50-L67 HydrophobicContact CB-CG 4.17Å; M50-L67 HydrophobicContact CG-CD1 4.21Å; M50-L67 HydrophobicContact CG-CG 4.12Å; L67-P74 WeakPolarHBondContact O-CD 3.5Å; L67-V96 HydrophobicContact CB-CG1 4.12Å; L67-V96 HydrophobicContact CD1-CG1 4.29Å; L67-V96 HydrophobicContact CD2-CG1 4Å; L67-V96 HydrophobicContact CG-CG1 4.36Å; L67-A97 CarbonylContact C-O 3.55Å; L67-A97 WeakPolarHBondContact CA-O 3.36Å |
| 68 | F | 94.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 72.5 Ų | 72.5 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.8 | 177.6 | -55.7 | -90.3 | 0 | 0 | 0 | 110 | V25 F66 T72 V73 V96 A97 F104 | V25-F68 HydrophobicContact CG2-CD2 4.36Å; F66-F68 HydrophobicContact CB-CE2 3.7Å; F66-F68 HydrophobicContact CB-CZ 3.78Å; F68-T72 CarbonylContact C-O 3.48Å; F68-T72 WeakPolarHBondContact CA-O 3.17Å; F68-V73 HydrophobicContact CD1-CG2 3.9Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.45Å; F68-V96 CarbonylContact O-C 3.51Å; F68-V96 WeakPolarHBondContact O-CA 3.29Å; F68-A97 HydrophobicContact CB-CB 4.32Å; F68-A97 PolarHBondContact N-O 2.85Å; F68-A97 PolarHBondContact O-N 2.8Å; F68-F104 HydrophobicContact CB-CD2 4.27Å; F68-F104 HydrophobicContact CB-CE2 4.06Å; F68-F104 HydrophobicContact CD1-CD2 4.06Å; F68-F104 HydrophobicContact CD2-CD2 4.4Å; F68-F104 AromaticContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CE2 4.2Å |
| 69 | V | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -129.4 | 127.1 | 169.6 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | K71 T72 P74 L83 E87 L94 V96 | V69-K71 PolarHBondContact O-N 3.15Å; V69-T72 PolarHBondContact N-O 3.45Å; V69-T72 PolarHBondContact O-N 3.18Å; V69-T72 PolarHBondContact O-OG1 3.32Å; V69-P74 HydrophobicContact CG2-CG 4.19Å; V69-L83 HydrophobicContact CG1-CD1 4.42Å; V69-L83 HydrophobicContact CG2-CD1 4.48Å; V69-L83 HydrophobicContact CG2-CD2 4.08Å; V69-E87 HydrophobicContact CG1-CB 3.42Å; V69-E87 VanDerWaalsContact CG1-CB 3.42Å; V69-E87 HydrophobicContact CG1-CG 3.8Å; V69-L94 HydrophobicContact CG1-CD1 3.8Å; V69-L94 HydrophobicContact CG2-CD1 4.47Å; V69-V96 HydrophobicContact CG2-CG2 3.92Å |
| 70 | D | 88.6 | Confident | 93.4 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 48.9 | -169.2 | -166.2 | 32.2 | 0 | 0 | 0 | 113.3 | T72 | D70-T72 PolarHBondContact O-N 2.87Š|
| 71 | K | 84.7 | Confident | 93.5 | Very high | 151 Ų | 151 | 63.2 Ų | 63.2 | 66% | 0.657 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 3.8 | -179.6 | -49.7 | 170.7 | -174.8 | 171.6 | 0 | 115.7 | V69 F104 | V69-K71 PolarHBondContact O-N 3.15Å; K71-F104 HydrophobicContact CB-CD2 4.36Å; K71-F104 HydrophobicContact CB-CE2 4.5Å; K71-F104 HydrophobicContact CG-CE1 4.39Å; K71-F104 HydrophobicContact CG-CE2 4.37Å; K71-F104 HydrophobicContact CG-CZ 4.26Å |
| 72 | T | 89.1 | Confident | 93.8 | Very high | 84 Ų | 84 | 63 Ų | 63 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -108.3 | 153.6 | 176.7 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | F68 V69 D70 P74 | F68-T72 CarbonylContact C-O 3.48Å; F68-T72 WeakPolarHBondContact CA-O 3.17Å; V69-T72 PolarHBondContact N-O 3.45Å; V69-T72 PolarHBondContact O-N 3.18Å; V69-T72 PolarHBondContact O-OG1 3.32Å; D70-T72 PolarHBondContact O-N 2.87Å; T72-P74 VanDerWaalsContact O-CD 3.32Å; T72-P74 WeakPolarHBondContact O-CD 3.39Å |
| 73 | V | 92.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | trans | -82.2 | 114 | 174 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F68 | F68-V73 HydrophobicContact CD1-CG2 3.9Å; F68-V73 HydrophobicContact CE1-CG2 3.64Å; F68-V73 HydrophobicContact CZ-CG2 4.45Å | ||
| 74 | P | 94.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -68.2 | 151.9 | -178.9 | 27.9 | -34 | 0 | 0 | 0 | 111.5 | V46 L67 V69 T72 S76 L83 | V46-P74 HydrophobicContact CG1-CB 4.35Å; V46-P74 HydrophobicContact CG1-CG 3.83Å; V46-P74 HydrophobicContact CG2-CB 4.46Å; L67-P74 WeakPolarHBondContact O-CD 3.5Å; V69-P74 HydrophobicContact CG2-CG 4.19Å; T72-P74 VanDerWaalsContact O-CD 3.32Å; T72-P74 WeakPolarHBondContact O-CD 3.39Å; P74-S76 PolarHBondContact O-N 3.01Å; P74-L83 HydrophobicContact CB-CD1 3.95Å; P74-L83 HydrophobicContact CB-CD2 4.12Å; P74-L83 HydrophobicContact CG-CD2 4.4Å | ||
| 75 | Q | 95.3 | Very high | 94.4 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | trans | -63.4 | 126 | 177 | -63.3 | 179.1 | -65.4 | 0 | 0 | 110.9 | S77 L78 | Q75-S77 PolarHBondContact O-N 2.77Å; Q75-S77 VanDerWaalsContact O-N 3.16Å; Q75-L78 HydrophobicContact CB-CD1 3.89Å; Q75-L78 HydrophobicContact CB-CG 3.95Å; Q75-L78 HydrophobicContact CG-CD1 4.43Å; Q75-L78 WeakPolarHBondContact O-CB 3.37Å; Q75-L78 PolarHBondContact O-N 2.94Å; Q75-L78 VanDerWaalsContact O-N 3.12Å | ||
| 76 | S | 94.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.8 | -173.7 | -54.3 | 0 | 0 | 0 | 0 | 114.7 | A47 P74 | A47-S76 PolarHBondContact N-O 3.44Å; A47-S76 VanDerWaalsContact N-O 3.12Å; P74-S76 PolarHBondContact O-N 3.01Å |
| 77 | S | 96.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.1 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | Q75 | Q75-S77 PolarHBondContact O-N 2.77Å; Q75-S77 VanDerWaalsContact O-N 3.16Å |
| 78 | L | 97.1 | Very high | 94.5 | Very high | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -65 | 145.3 | 176 | -74.4 | 172.5 | 0 | 0 | 0 | 110.1 | T45 V46 Q75 Q82 | T45-L78 CarbonylContact C-O 3.48Å; T45-L78 VanDerWaalsContact CA-O 3.22Å; T45-L78 WeakPolarHBondContact CA-O 3.14Å; V46-L78 HydrophobicContact CG2-CB 4.29Å; V46-L78 WeakPolarHBondContact CG2-O 3.21Å; V46-L78 PolarHBondContact N-O 3.23Å; Q75-L78 HydrophobicContact CB-CD1 3.89Å; Q75-L78 HydrophobicContact CB-CG 3.95Å; Q75-L78 HydrophobicContact CG-CD1 4.43Å; Q75-L78 WeakPolarHBondContact O-CB 3.37Å; Q75-L78 PolarHBondContact O-N 2.94Å; Q75-L78 VanDerWaalsContact O-N 3.12Å; L78-Q82 HydrophobicContact CD2-CB 4.24Å |
| 79 | T | 98.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 154.4 | 168.8 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | S42 I44 G81 Q82 L83 | S42-T79 WeakPolarHBondContact O-CB 3.45Å; I44-T79 CarbonylContact O-C 3.25Å; I44-T79 VanDerWaalsContact O-CA 3.29Å; I44-T79 WeakPolarHBondContact O-CA 3.34Å; T79-G81 PolarHBondContact O-N 3.33Å; T79-Q82 VanDerWaalsContact N-OE1 3.08Å; T79-Q82 PolarHBondContact O-N 2.88Å; T79-Q82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Q82 VanDerWaalsContact OG1-CD 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.22Å; T79-Q82 PolarHBondContact OG1-OE1 3.2Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 PolarHBondContact O-N 2.94Å |
| 80 | M | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.7 | -31 | 176.7 | -69.5 | -60.9 | -62.7 | 0 | 0 | 111.9 | V20 V40 I44 V46 F49 L83 Y84 L94 | V20-M80 HydrophobicContact CG2-CE 3.9Å; V40-M80 HydrophobicContact CG1-CB 4.26Å; V40-M80 HydrophobicContact CG1-CE 4.5Å; V40-M80 HydrophobicContact CG1-CG 3.9Å; I44-M80 HydrophobicContact CD1-CG 4.34Å; I44-M80 HydrophobicContact CG1-CB 4.43Å; I44-M80 HydrophobicContact CG1-CG 3.76Å; I44-M80 PolarHBondContact O-N 3.47Å; V46-M80 HydrophobicContact CG2-SD 4.19Å; F49-M80 HydrophobicContact CB-CE 4.47Å; F49-M80 HydrophobicContact CB-CG 4.12Å; F49-M80 HydrophobicContact CB-SD 3.69Å; F49-M80 HydrophobicContact CD1-CE 3.67Å; F49-M80 HydrophobicContact CD1-SD 3.8Å; F49-M80 HydrophobicContact CD2-CE 4.38Å; F49-M80 HydrophobicContact CE1-CE 3.91Å; F49-M80 HydrophobicContact CG-CE 3.92Å; F49-M80 HydrophobicContact CG-CG 4.44Å; F49-M80 HydrophobicContact CG-SD 3.79Å; F49-M80 HydrophobicContact CZ-CE 4.37Å; M80-L83 HydrophobicContact SD-CD2 4.33Å; M80-Y84 VanDerWaalsContact O-CB 3.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 2.88Å; M80-L94 HydrophobicContact CE-CD2 3.82Å |
| 81 | G | 97 | Very high | 94.3 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 13% | 0.134 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | S42 T79 L83 Y84 E85 | S42-G81 PolarHBondContact O-N 2.92Å; T79-G81 PolarHBondContact O-N 3.33Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.29Å; G81-Y84 WeakPolarHBondContact O-CB 2.76Å; G81-Y84 PolarHBondContact O-N 3.19Å; G81-E85 PolarHBondContact O-N 3.07Å |
| 82 | Q | 97.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 67 Ų | 67 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.1 | -73.6 | 167.8 | -38.3 | 0 | 0 | 112.3 | L78 T79 K86 | L78-Q82 HydrophobicContact CD2-CB 4.24Å; T79-Q82 VanDerWaalsContact N-OE1 3.08Å; T79-Q82 PolarHBondContact O-N 2.88Å; T79-Q82 WeakPolarHBondContact OG1-CB 3.45Å; T79-Q82 VanDerWaalsContact OG1-CD 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.22Å; T79-Q82 PolarHBondContact OG1-OE1 3.2Å; Q82-K86 WeakPolarHBondContact O-CG 3.46Å; Q82-K86 PolarHBondContact O-N 3.38Å |
| 83 | L | 96.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.1 | -178.5 | 60.5 | 0 | 0 | 0 | 111 | V46 V69 P74 T79 M80 G81 E85 K86 E87 L94 | V46-L83 HydrophobicContact CG2-CD2 3.67Å; V69-L83 HydrophobicContact CG1-CD1 4.42Å; V69-L83 HydrophobicContact CG2-CD1 4.48Å; V69-L83 HydrophobicContact CG2-CD2 4.08Å; P74-L83 HydrophobicContact CB-CD1 3.95Å; P74-L83 HydrophobicContact CB-CD2 4.12Å; P74-L83 HydrophobicContact CG-CD2 4.4Å; T79-L83 WeakPolarHBondContact O-CB 3.41Å; T79-L83 PolarHBondContact O-N 2.94Å; M80-L83 HydrophobicContact SD-CD2 4.33Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.29Å; L83-E85 PolarHBondContact O-N 3.47Å; L83-K86 PolarHBondContact O-N 2.99Å; L83-E87 HydrophobicContact CD1-CB 4.34Å; L83-E87 HydrophobicContact CD1-CG 3.78Å; L83-E87 WeakPolarHBondContact O-CB 3.35Å; L83-E87 PolarHBondContact O-N 2.94Å; L83-L94 HydrophobicContact CD2-CD2 4.02Å; L83-L94 HydrophobicContact CG-CD1 4.33Å; L83-L94 HydrophobicContact CG-CD2 4.01Å |
| 84 | Y | 96.4 | Very high | 95 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.7 | 176.5 | -96 | 0 | 0 | 0 | 113 | R11 V18 P19 M80 G81 K86 K88 G92 L94 | R11-Y84 WeakPolarHBondContact CD-OH 3.47Å; V18-Y84 HydrophobicContact CG1-CD2 3.35Å; V18-Y84 HydrophobicContact CG1-CE2 4.18Å; V18-Y84 HydrophobicContact CG1-CG 3.61Å; V18-Y84 HydrophobicContact CG2-CG 4.32Å; P19-Y84 HydrophobicContact CG-CE2 4.08Å; M80-Y84 VanDerWaalsContact O-CB 3.24Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 2.88Å; G81-Y84 WeakPolarHBondContact O-CB 2.76Å; G81-Y84 PolarHBondContact O-N 3.19Å; Y84-K86 PolarHBondContact O-N 2.95Å; Y84-K88 HydrophobicContact CD1-CD 4.1Å; Y84-K88 HydrophobicContact CD2-CB 3.73Å; Y84-K88 HydrophobicContact CE1-CB 4.42Å; Y84-K88 HydrophobicContact CE1-CD 3.55Å; Y84-K88 HydrophobicContact CE2-CB 3.58Å; Y84-K88 HydrophobicContact CE2-CD 4.14Å; Y84-K88 HydrophobicContact CE2-CG 4.47Å; Y84-K88 HydrophobicContact CG-CB 4.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.43Å; Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.34Å; Y84-K88 PolarHBondContact O-N 3.26Å; Y84-G92 PolarHBondContact OH-O 3.12Å; Y84-L94 HydrophobicContact CD2-CB 3.82Å |
| 85 | E | 94.8 | Very high | 95.1 | Very high | 149 Ų | 149 | 62.6 Ų | 62.6 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.6 | -32 | 178.6 | -73.4 | -177 | 143.5 | 0 | 0 | 113.1 | G81 L83 | G81-E85 PolarHBondContact O-N 3.07Å; L83-E85 PolarHBondContact O-N 3.47Å |
| 86 | K | 94.1 | Very high | 95.1 | Very high | 134 Ų | 134 | 56.9 Ų | 56.9 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -83.5 | -42.5 | -179.9 | -68.2 | 178.2 | 179.7 | -175 | 0 | 113.2 | Q82 L83 Y84 | Q82-K86 WeakPolarHBondContact O-CG 3.46Å; Q82-K86 PolarHBondContact O-N 3.38Å; L83-K86 PolarHBondContact O-N 2.99Å; Y84-K86 PolarHBondContact O-N 2.95Å |
| 87 | E | 95.6 | Very high | 95.2 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -123.1 | 8.1 | -161.9 | -54.6 | -60.9 | 143.2 | 0 | 0 | 114.3 | V69 L83 L94 | V69-E87 HydrophobicContact CG1-CB 3.42Å; V69-E87 VanDerWaalsContact CG1-CB 3.42Å; V69-E87 HydrophobicContact CG1-CG 3.8Å; L83-E87 HydrophobicContact CD1-CB 4.34Å; L83-E87 HydrophobicContact CD1-CG 3.78Å; L83-E87 WeakPolarHBondContact O-CB 3.35Å; L83-E87 PolarHBondContact O-N 2.94Å; E87-L94 HydrophobicContact CB-CD1 3.9Å |
| 88 | K | 94 | Very high | 95.1 | Very high | 96 Ų | 96 | 50 Ų | 50 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | trans | -62.2 | 147.1 | 173.2 | 69.9 | -170.3 | -176.1 | -152.8 | 0 | 110.5 | Y84 | Y84-K88 HydrophobicContact CD1-CD 4.1Å; Y84-K88 HydrophobicContact CD2-CB 3.73Å; Y84-K88 HydrophobicContact CE1-CB 4.42Å; Y84-K88 HydrophobicContact CE1-CD 3.55Å; Y84-K88 HydrophobicContact CE2-CB 3.58Å; Y84-K88 HydrophobicContact CE2-CD 4.14Å; Y84-K88 HydrophobicContact CE2-CG 4.47Å; Y84-K88 HydrophobicContact CG-CB 4.22Å; Y84-K88 WeakPolarHBondContact O-CB 3.43Å; Y84-K88 VanDerWaalsContact O-CG 3.3Å; Y84-K88 WeakPolarHBondContact O-CG 3.34Å; Y84-K88 PolarHBondContact O-N 3.26Å | ||
| 89 | D | 94 | Very high | 95 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | trans | -76 | 164.7 | 171.6 | -169.1 | -96 | 0 | 0 | 0 | 111.3 | D91 G92 F93 Y95 | D89-D91 PolarHBondContact O-N 2.84Å; D89-D91 PolarHBondContact OD1-N 3.28Å; D89-G92 PolarHBondContact O-N 3.23Å; D89-F93 PolarHBondContact N-O 3.3Å; D89-Y95 HydrophobicContact CB-CD2 3.78Å; D89-Y95 HydrophobicContact CB-CE2 3.54Å | ||
| 90 | E | 90.2 | Very high | 94.7 | Very high | 193 Ų | 193 | 48.3 Ų | 48.3 | 90% | 0.902 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.5 | 175.4 | -61 | -171.1 | 109.9 | 0 | 0 | 112.4 | G92 | E90-G92 PolarHBondContact O-N 3.09Š|
| 91 | D | 89.8 | Confident | 94.2 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.8 | 174.9 | 84.4 | -7.6 | 0 | 0 | 0 | 114.4 | R3 S7 D89 F93 Y95 | R3-D91 HydrophobicContact CB-CB 4.06Å; R3-D91 IonicContact CZ-OD2 3.22Å; R3-D91 IonicContact NE-OD2 2.76Å; R3-D91 PolarHBondContact NE-OD2 3.45Å; R3-D91 IonicContact NH2-OD2 3.14Å; R3-D91 PolarHBondContact NH2-OD2 3.34Å; R3-D91 VanDerWaalsContact NH2-OD2 3.14Å; S7-D91 VanDerWaalsContact CB-O 3.31Å; S7-D91 WeakPolarHBondContact CB-O 3.49Å; S7-D91 PolarHBondContact OG-O 2.89Å; D89-D91 PolarHBondContact O-N 2.84Å; D89-D91 PolarHBondContact OD1-N 3.28Å; D91-F93 WeakPolarHBondContact OD1-CB 3.22Å; D91-F93 WeakPolarHBondContact OD1-CD2 3.49Å; D91-F93 PolarHBondContact OD1-N 3.5Å; D91-Y95 PolarHBondContact OD2-OH 3.34Å |
| 92 | G | 90.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 81.3 | 17.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | S7 P19 Y84 D89 E90 | S7-G92 WeakPolarHBondContact CB-O 3.43Å; P19-G92 WeakPolarHBondContact CG-O 3.44Å; Y84-G92 PolarHBondContact OH-O 3.12Å; D89-G92 PolarHBondContact O-N 3.23Å; E90-G92 PolarHBondContact O-N 3.09Å |
| 93 | F | 94.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | trans | -109 | 151 | 168.5 | -68.7 | -96.4 | 0 | 0 | 0 | 111.1 | R3 P19 I21 D89 D91 Y95 | R3-F93 HydrophobicContact CB-CE2 4.47Å; P19-F93 HydrophobicContact CB-CD1 3.67Å; P19-F93 HydrophobicContact CB-CE1 3.78Å; P19-F93 HydrophobicContact CB-CG 4.47Å; P19-F93 HydrophobicContact CG-CD1 4.4Å; I21-F93 HydrophobicContact CD1-CD1 3.66Å; I21-F93 HydrophobicContact CD1-CE1 4.02Å; I21-F93 HydrophobicContact CD1-CG 4.3Å; I21-F93 HydrophobicContact CG1-CB 3.9Å; I21-F93 HydrophobicContact CG1-CD1 3.71Å; I21-F93 HydrophobicContact CG1-CG 3.97Å; D89-F93 PolarHBondContact N-O 3.3Å; D91-F93 WeakPolarHBondContact OD1-CB 3.22Å; D91-F93 WeakPolarHBondContact OD1-CD2 3.49Å; D91-F93 PolarHBondContact OD1-N 3.5Å; F93-Y95 HydrophobicContact CB-CE2 4.07Å | ||
| 94 | L | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127 | 164.1 | 174.4 | 70.4 | 0 | 0 | 0 | 109.3 | V18 P19 V20 I21 V69 M80 L83 Y84 E87 V96 | V18-L94 HydrophobicContact CG1-CB 4.47Å; P19-L94 PolarHBondContact O-N 3.32Å; V20-L94 CarbonylContact C-O 3.6Å; V20-L94 WeakPolarHBondContact CA-O 3.36Å; V20-L94 HydrophobicContact CG2-CB 4.44Å; V20-L94 HydrophobicContact CG2-CD2 4.3Å; I21-L94 PolarHBondContact N-O 3.04Å; V69-L94 HydrophobicContact CG1-CD1 3.8Å; V69-L94 HydrophobicContact CG2-CD1 4.47Å; M80-L94 HydrophobicContact CE-CD2 3.82Å; L83-L94 HydrophobicContact CD2-CD2 4.02Å; L83-L94 HydrophobicContact CG-CD1 4.33Å; L83-L94 HydrophobicContact CG-CD2 4.01Å; Y84-L94 HydrophobicContact CD2-CB 3.82Å; E87-L94 HydrophobicContact CB-CD1 3.9Å; L94-V96 HydrophobicContact CD2-CG2 4.12Å; L94-V96 HydrophobicContact CG-CG2 4.04Å |
| 95 | Y | 96.2 | Very high | 88.9 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 177 | -70 | -100.3 | 0 | 0 | 0 | 110 | R3 I21 D89 D91 F93 | R3-Y95 PolarHBondContact NH2-OH 3.14Å; I21-Y95 HydrophobicContact CB-CD1 3.92Å; I21-Y95 HydrophobicContact CB-CE1 4.14Å; I21-Y95 HydrophobicContact CB-CG 4.46Å; I21-Y95 HydrophobicContact CG1-CD1 4.45Å; I21-Y95 HydrophobicContact CG1-CE1 4.23Å; I21-Y95 HydrophobicContact CG2-CD1 4.03Å; I21-Y95 HydrophobicContact CG2-CE1 4.12Å; D89-Y95 HydrophobicContact CB-CD2 3.78Å; D89-Y95 HydrophobicContact CB-CE2 3.54Å; D91-Y95 PolarHBondContact OD2-OH 3.34Å; F93-Y95 HydrophobicContact CB-CE2 4.07Å |
| 96 | V | 96.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.036 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.6 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | V20 I21 V22 E23 F49 L67 F68 V69 L94 | V20-V96 HydrophobicContact CG1-CB 4.24Å; V20-V96 HydrophobicContact CG1-CG2 3.61Å; I21-V96 PolarHBondContact O-N 3.19Å; V22-V96 VanDerWaalsContact CA-O 3.29Å; V22-V96 WeakPolarHBondContact CA-O 3.48Å; E23-V96 PolarHBondContact N-O 3.48Å; F49-V96 HydrophobicContact CE1-CG1 4.32Å; F49-V96 HydrophobicContact CE1-CG2 4.3Å; L67-V96 HydrophobicContact CB-CG1 4.12Å; L67-V96 HydrophobicContact CD1-CG1 4.29Å; L67-V96 HydrophobicContact CD2-CG1 4Å; L67-V96 HydrophobicContact CG-CG1 4.36Å; F68-V96 CarbonylContact O-C 3.51Å; F68-V96 WeakPolarHBondContact O-CA 3.29Å; V69-V96 HydrophobicContact CG2-CG2 3.92Å; L94-V96 HydrophobicContact CD2-CG2 4.12Å; L94-V96 HydrophobicContact CG-CG2 4.04Å |
| 97 | A | 95.3 | Very high | 86 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 148.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E23 V25 L67 F68 F104 | E23-A97 CarbonylContact O-C 3.52Å; E23-A97 WeakPolarHBondContact O-CA 3.32Å; V25-A97 HydrophobicContact CG2-CB 3.79Å; L67-A97 CarbonylContact C-O 3.55Å; L67-A97 WeakPolarHBondContact CA-O 3.36Å; F68-A97 HydrophobicContact CB-CB 4.32Å; F68-A97 PolarHBondContact N-O 2.85Å; F68-A97 PolarHBondContact O-N 2.8Å; A97-F104 HydrophobicContact CB-CE2 4.35Å |
| 98 | Y | 95 | Very high | 85.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.4 | 172.9 | 74.6 | -85.3 | 0 | 0 | 0 | 112.5 | V22 E23 K24 V25 I30 V31 D32 I33 I53 I57 I65 F66 | V22-Y98 HydrophobicContact CG1-CD1 3.68Å; V22-Y98 HydrophobicContact CG1-CE1 4.02Å; E23-Y98 WeakPolarHBondContact O-CD1 3.34Å; E23-Y98 PolarHBondContact O-N 3.25Å; K24-Y98 HydrophobicContact CB-CE1 3.88Å; K24-Y98 HydrophobicContact CB-CE2 4.28Å; K24-Y98 HydrophobicContact CG-CE2 4.08Å; V25-Y98 PolarHBondContact N-O 2.83Å; I30-Y98 HydrophobicContact CD1-CD2 4.15Å; I30-Y98 HydrophobicContact CD1-CE2 4.36Å; I30-Y98 HydrophobicContact CG1-CE2 4.32Å; I30-Y98 HydrophobicContact CG2-CD2 3.86Å; I30-Y98 HydrophobicContact CG2-CE2 3.58Å; V31-Y98 WeakPolarHBondContact O-CE2 3.28Å; V31-Y98 PolarHBondContact O-OH 3.12Å; D32-Y98 WeakPolarHBondContact CA-OH 3.34Å; I33-Y98 HydrophobicContact CB-CE1 4.2Å; I33-Y98 HydrophobicContact CG2-CE1 4.02Å; I33-Y98 PolarHBondContact N-OH 3.41Å; I53-Y98 HydrophobicContact CG2-CG 4.48Å; I57-Y98 HydrophobicContact CD1-CE2 4.17Å; I57-Y98 HydrophobicContact CG2-CE2 4.47Å; I65-Y98 HydrophobicContact CD1-CD2 4.2Å; F66-Y98 CarbonylContact O-C 3.53Å; F66-Y98 WeakPolarHBondContact O-CA 3.5Å |
| 99 | S | 94.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.7 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 111 | S28 I65 F66 E101 | S28-S99 PolarHBondContact OG-OG 3.31Å; I65-S99 CarbonylContact C-O 3.44Å; I65-S99 WeakPolarHBondContact CA-O 3.22Å; F66-S99 PolarHBondContact N-O 3.25Å; F66-S99 PolarHBondContact O-N 3.16Å; S99-E101 WeakPolarHBondContact CB-O 3.37Å; S99-E101 PolarHBondContact OG-N 2.86Å; S99-E101 VanDerWaalsContact OG-N 3.14Å |
| 100 | G | 92.3 | Very high | 84.5 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -74.7 | -10.5 | 165 | 0 | 0 | 0 | 0 | 0 | 113.9 | S28 | S28-G100 PolarHBondContact OG-N 3.29Š|
| 101 | E | 87.9 | Confident | 84.2 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -115.5 | 146.1 | -175.7 | -63.2 | 171.7 | 109.7 | 0 | 0 | 110.9 | F66 S99 T103 | F66-E101 VanDerWaalsContact CD2-O 3.29Å; F66-E101 WeakPolarHBondContact CD2-O 3.16Å; S99-E101 WeakPolarHBondContact CB-O 3.37Å; S99-E101 PolarHBondContact OG-N 2.86Å; S99-E101 VanDerWaalsContact OG-N 3.14Å; E101-T103 PolarHBondContact O-N 2.72Å |
| 102 | N | 82.2 | Confident | 83.8 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -77.9 | -4.5 | -177.9 | -168.1 | 33.4 | 0 | 0 | 0 | 113.6 | F66 | F66-N102 HydrophobicContact CD1-CB 3.83Å; F66-N102 WeakPolarHBondContact CD1-OD1 3.19Å; F66-N102 HydrophobicContact CD2-CB 4.19Å; F66-N102 HydrophobicContact CE1-CB 3.54Å; F66-N102 WeakPolarHBondContact CE1-OD1 3.36Å; F66-N102 HydrophobicContact CE2-CB 3.91Å; F66-N102 HydrophobicContact CG-CB 4.15Å; F66-N102 HydrophobicContact CZ-CB 3.59Å |
| 103 | T | 72.6 | Confident | 83.3 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -108.9 | 133.2 | 179.2 | 46.7 | 0 | 0 | 0 | 0 | 108.9 | E101 G105 | E101-T103 PolarHBondContact O-N 2.72Å; T103-G105 PolarHBondContact O-N 3.3Å |
| 104 | F | 63.3 | Low | 82.5 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | trans | -59.5 | 119.1 | 156 | -131.6 | -95.9 | 0 | 0 | 0 | 105.8 | V25 F68 K71 A97 F106 | V25-F104 HydrophobicContact CG2-CE2 4.16Å; V25-F104 HydrophobicContact CG2-CZ 4.5Å; F68-F104 HydrophobicContact CB-CD2 4.27Å; F68-F104 HydrophobicContact CB-CE2 4.06Å; F68-F104 HydrophobicContact CD1-CD2 4.06Å; F68-F104 HydrophobicContact CD2-CD2 4.4Å; F68-F104 AromaticContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CD2 3.98Å; F68-F104 HydrophobicContact CG-CE2 4.2Å; K71-F104 HydrophobicContact CB-CD2 4.36Å; K71-F104 HydrophobicContact CB-CE2 4.5Å; K71-F104 HydrophobicContact CG-CE1 4.39Å; K71-F104 HydrophobicContact CG-CE2 4.37Å; K71-F104 HydrophobicContact CG-CZ 4.26Å; A97-F104 HydrophobicContact CB-CE2 4.35Å; F104-F106 PolarHBondContact O-N 3.16Å | ||
| 105 | G | 57.1 | Low | 81.3 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | trans | -51.5 | 135.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T103 | T103-G105 PolarHBondContact O-N 3.3Š| ||
| 106 | F | 43.4 | Very low | 80 | Confident | 273 Ų | 273 | 67.9 Ų | 67.9 | 100% | 1.197 | 37% | 0.37 | S | S | * | . | trans | -40.8 | 0 | -177 | -68.5 | -92.8 | 0 | 0 | 0 | 115.2 | F104 | F104-F106 PolarHBondContact O-N 3.16Š|
Retrieved 106 of 106 residues in 300.7 ms
(Link to these results)