| 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 | 50.3 | Low | 74.9 | Confident | 225 Ų | 225 | 119.1 Ų | 119.1 | 100% | 1.108 | 56% | 0.559 | S | S | * | * | 0 | 126.5 | 0 | -170.8 | 174.3 | 177.2 | 0 | 0 | 108.1 | I3 | M1-I3 HydrophobicContact CG-CG1 4.5Š| |||
| 2 | K | 57.5 | Low | 75.8 | Confident | 213 Ų | 213 | 111.7 Ų | 111.7 | 93% | 0.926 | 52% | 0.524 | S | S | * | . | trans | -95.7 | 102.8 | 177.3 | -164.8 | 173.4 | -178.2 | 179.9 | 0 | 107.2 | ||||
| 3 | I | 71.4 | Confident | 76.4 | Confident | 68 Ų | 68 | 108.9 Ų | 108.9 | 35% | 0.349 | 53% | 0.525 | S | S | . | . | trans | -80.4 | 136.1 | 178.2 | -53.8 | 172.7 | 0 | 0 | 0 | 107.2 | M1 E5 V8 V60 | M1-I3 HydrophobicContact CG-CG1 4.5Å; I3-E5 PolarHBondContact O-N 2.76Å; I3-V8 HydrophobicContact CB-CG2 4.11Å; I3-V8 HydrophobicContact CG2-CG2 3.49Å; I3-V8 VanDerWaalsContact CG2-CG2 3.49Å; I3-V60 HydrophobicContact CD1-CG1 3.79Å | ||
| 4 | D | 78.6 | Confident | 76.8 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | trans | -66.9 | 128.3 | 178.4 | -170.8 | -50.8 | 0 | 0 | 0 | 110.1 | K6 V7 V8 | D4-K6 PolarHBondContact O-N 3.04Å; D4-K6 VanDerWaalsContact OD1-CB 3.32Å; D4-K6 WeakPolarHBondContact OD1-CB 3.03Å; D4-K6 PolarHBondContact OD1-N 3.43Å; D4-V7 HydrophobicContact CB-CB 4.34Å; D4-V7 HydrophobicContact CB-CG2 3.99Å; D4-V7 WeakPolarHBondContact O-CB 3.4Å; D4-V7 PolarHBondContact O-N 3Å; D4-V8 PolarHBondContact O-N 3.35Å | ||
| 5 | E | 79.4 | Confident | 77.2 | Confident | 157 Ų | 157 | 107.9 Ų | 107.9 | 73% | 0.734 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.4 | -35.5 | -179.3 | -69.5 | 176.2 | 176 | 0 | 0 | 112.6 | I3 V7 V8 N9 | I3-E5 PolarHBondContact O-N 2.76Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 3.39Å; E5-V8 PolarHBondContact O-N 3.07Å; E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 3.33Å |
| 6 | K | 79.1 | Confident | 77.7 | Confident | 172 Ų | 172 | 104.3 Ų | 104.3 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | 177.9 | -63.9 | -179.1 | -179.5 | 177 | 0 | 111.7 | D4 Y10 | D4-K6 PolarHBondContact O-N 3.04Å; D4-K6 VanDerWaalsContact OD1-CB 3.32Å; D4-K6 WeakPolarHBondContact OD1-CB 3.03Å; D4-K6 PolarHBondContact OD1-N 3.43Å; K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.2Å |
| 7 | V | 80.9 | Confident | 78.4 | Confident | 65 Ų | 65 | 104.3 Ų | 104.3 | 39% | 0.394 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | D4 E5 Y10 F11 | D4-V7 HydrophobicContact CB-CB 4.34Å; D4-V7 HydrophobicContact CB-CG2 3.99Å; D4-V7 WeakPolarHBondContact O-CB 3.4Å; D4-V7 PolarHBondContact O-N 3Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 3.39Å; V7-Y10 PolarHBondContact O-N 2.96Å; V7-F11 HydrophobicContact CG1-CD2 3.67Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; V7-F11 PolarHBondContact O-N 3.25Å |
| 8 | V | 82.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 102.1 Ų | 102.1 | 10% | 0.097 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | I3 D4 E5 Y10 F11 E12 F47 V57 V60 | I3-V8 HydrophobicContact CB-CG2 4.11Å; I3-V8 HydrophobicContact CG2-CG2 3.49Å; I3-V8 VanDerWaalsContact CG2-CG2 3.49Å; D4-V8 PolarHBondContact O-N 3.35Å; E5-V8 PolarHBondContact O-N 3.07Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.47Å; V8-F11 PolarHBondContact O-N 3.34Å; V8-E12 PolarHBondContact O-N 3.45Å; V8-F47 HydrophobicContact CG1-CD1 4.11Å; V8-F47 HydrophobicContact CG1-CE1 4.06Å; V8-V57 HydrophobicContact CG1-CB 3.85Å; V8-V57 HydrophobicContact CG1-CG1 3.65Å; V8-V57 HydrophobicContact CG1-CG2 4.28Å; V8-V60 HydrophobicContact CG1-CB 4.1Å; V8-V60 HydrophobicContact CG1-CG1 4.14Å; V8-V60 HydrophobicContact CG2-CG1 3.87Å |
| 9 | N | 82 | Confident | 80 | Confident | 46 Ų | 46 | 101.3 Ų | 101.3 | 25% | 0.246 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 179.4 | -73.2 | -15.5 | 0 | 0 | 0 | 111.9 | E5 E12 S13 V57 | E5-N9 WeakPolarHBondContact O-CB 3.39Å; E5-N9 PolarHBondContact O-N 3.33Å; N9-E12 PolarHBondContact O-N 3Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.84Å; N9-S13 PolarHBondContact O-OG 2.9Å; N9-V57 WeakPolarHBondContact OD1-CG2 3.21Å; N9-V57 PolarHBondContact OD1-N 2.96Å |
| 10 | Y | 82.3 | Confident | 80.8 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -53 | 174 | 174 | -99.2 | 0 | 0 | 0 | 111.4 | K6 V7 V8 E12 S13 C14 | K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.2Å; V7-Y10 PolarHBondContact O-N 2.96Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.47Å; Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.84Å; Y10-S13 CarbonylContact O-C 3.58Å; Y10-S13 PolarHBondContact O-N 2.87Å; Y10-S13 VanDerWaalsContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 3.03Å; Y10-C14 PolarHBondContact O-N 2.83Å; Y10-C14 PolarHBondContact O-SG 3.46Å |
| 11 | F | 79.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 98.5 Ų | 98.5 | 45% | 0.452 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | -179.8 | -80 | -69.4 | 0 | 0 | 0 | 113.2 | V7 V8 C14 L45 F47 | V7-F11 HydrophobicContact CG1-CD2 3.67Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; V7-F11 PolarHBondContact O-N 3.25Å; V8-F11 PolarHBondContact O-N 3.34Å; F11-C14 WeakPolarHBondContact O-CB 3.48Å; F11-C14 PolarHBondContact O-N 3.24Å; F11-L45 HydrophobicContact CB-CD1 4.31Å; F11-L45 HydrophobicContact CG-CD1 4.45Å; F11-F47 HydrophobicContact CB-CE1 4.46Å; F11-F47 HydrophobicContact CB-CZ 3.97Å |
| 12 | E | 85.2 | Confident | 83.8 | Confident | 30 Ų | 30 | 88.3 Ų | 88.3 | 14% | 0.14 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 174 | -165.5 | -83.5 | 158.3 | 0 | 0 | 111.7 | V8 N9 Y10 C14 K42 F47 K49 V57 | V8-E12 PolarHBondContact O-N 3.45Å; N9-E12 PolarHBondContact O-N 3Å; Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.84Å; E12-C14 VanDerWaalsContact C-N 3.29Å; E12-C14 PolarHBondContact O-N 3.35Å; E12-K42 PolarHBondContact O-NZ 2.87Å; E12-F47 HydrophobicContact CB-CD1 4.08Å; E12-F47 HydrophobicContact CB-CD2 4.48Å; E12-F47 HydrophobicContact CB-CE1 4.08Å; E12-F47 HydrophobicContact CB-CG 4.27Å; E12-F47 HydrophobicContact CB-CZ 4.3Å; E12-F47 HydrophobicContact CG-CB 4.32Å; E12-F47 HydrophobicContact CG-CD1 4.29Å; E12-F47 HydrophobicContact CG-CD2 4.24Å; E12-F47 HydrophobicContact CG-CG 4.03Å; E12-K49 VanDerWaalsContact CD-CE 3.45Å; E12-K49 WeakPolarHBondContact OE1-CE 3.27Å; E12-K49 IonicContact OE1-NZ 3.77Å; E12-K49 PolarHBondContact OE1-NZ 2.75Å; E12-K49 IonicContact OE2-NZ 3.74Å; E12-K49 PolarHBondContact OE2-NZ 3.49Å; E12-V57 HydrophobicContact CB-CG2 3.72Å; E12-V57 HydrophobicContact CG-CG2 3.72Å |
| 13 | S | 83.8 | Confident | 85.7 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -76.8 | -10.3 | 178 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | N9 Y10 | N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.84Å; N9-S13 PolarHBondContact O-OG 2.9Å; Y10-S13 CarbonylContact O-C 3.58Å; Y10-S13 PolarHBondContact O-N 2.87Å; Y10-S13 VanDerWaalsContact O-N 3.09Å; Y10-S13 PolarHBondContact O-OG 3.03Å |
| 14 | C | 82.4 | Confident | 87 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 22% | 0.216 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -59.8 | 145 | 178.5 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | Y10 F11 E12 S16 K42 | Y10-C14 PolarHBondContact O-N 2.83Å; Y10-C14 PolarHBondContact O-SG 3.46Å; F11-C14 WeakPolarHBondContact O-CB 3.48Å; F11-C14 PolarHBondContact O-N 3.24Å; E12-C14 VanDerWaalsContact C-N 3.29Å; E12-C14 PolarHBondContact O-N 3.35Å; C14-S16 PolarHBondContact O-N 2.82Å; C14-K42 PolarHBondContact O-NZ 3.43Å |
| 15 | N | 83.4 | Confident | 87.8 | Confident | 171 Ų | 171 | 76.2 Ų | 76.2 | 91% | 0.914 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -69.8 | 19.1 | 176.8 | -72.7 | -3.2 | 0 | 0 | 0 | 113.7 | ||
| 16 | S | 84.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.6 | 171.9 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | C14 | C14-S16 PolarHBondContact O-N 2.82Š|
| 17 | P | 89.6 | Confident | 89.2 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 146.5 | 176.4 | 25.5 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 18 | V | 93.9 | Very high | 89.5 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 119.2 | 171.6 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | E21 V40 K42 | V18-E21 HydrophobicContact CG1-CB 4.02Å; V18-E21 HydrophobicContact CG1-CG 4.16Å; V18-V40 HydrophobicContact CG1-CG1 3.9Å; V18-V40 HydrophobicContact CG2-CG1 4Å; V18-K42 HydrophobicContact CG2-CD 4.48Å; V18-K42 VanDerWaalsContact CG2-CE 3.41Å; V18-K42 HydrophobicContact CG2-CG 4.28Å |
| 19 | D | 93.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -76.3 | -37.8 | 179.3 | -58.6 | -57.3 | 0 | 0 | 0 | 110.9 | L41 K42 G43 | D19-L41 HydrophobicContact CB-CD2 4.13Å; D19-L41 HydrophobicContact CB-CG 4.11Å; D19-L41 PolarHBondContact N-O 3.35Å; D19-K42 WeakPolarHBondContact OD2-CA 3.37Å; D19-G43 PolarHBondContact OD2-N 3.05Å |
| 20 | K | 96.2 | Very high | 89.3 | Confident | 39 Ų | 39 | 73 Ų | 73 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 145.3 | 174 | -171 | 169.7 | 173.2 | 67.4 | 0 | 111.2 | L41 S103 W104 A107 | K20-L41 HydrophobicContact CB-CB 4.38Å; K20-L41 WeakPolarHBondContact O-CB 3.34Å; K20-L41 PolarHBondContact O-N 2.81Å; K20-S103 WeakPolarHBondContact CE-OG 3.48Å; K20-S103 PolarHBondContact NZ-OG 3.33Å; K20-W104 HydrophobicContact CB-CZ3 4.2Å; K20-W104 HydrophobicContact CD-CD2 3.73Å; K20-W104 HydrophobicContact CD-CE3 3.66Å; K20-W104 HydrophobicContact CD-CG 4.19Å; K20-W104 HydrophobicContact CD-CH2 4.45Å; K20-W104 HydrophobicContact CD-CZ3 4.03Å; K20-W104 VanDerWaalsContact CE-CE2 3.49Å; K20-W104 VanDerWaalsContact CE-CG 3.41Å; K20-W104 HydrophobicContact CG-CD2 4.36Å; K20-W104 HydrophobicContact CG-CE3 4.13Å; K20-W104 HydrophobicContact CG-CH2 4.06Å; K20-W104 HydrophobicContact CG-CZ2 4.31Å; K20-W104 HydrophobicContact CG-CZ3 3.96Å; K20-A107 HydrophobicContact CB-CB 3.89Å; K20-A107 HydrophobicContact CD-CB 3.62Å; K20-A107 HydrophobicContact CG-CB 4.39Å |
| 21 | E | 96.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 73.2 Ų | 73.2 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 160.2 | 169.4 | 59.1 | 179.7 | -161.8 | 0 | 0 | 111.2 | V18 W38 F39 V40 | V18-E21 HydrophobicContact CG1-CB 4.02Å; V18-E21 HydrophobicContact CG1-CG 4.16Å; E21-W38 HydrophobicContact CB-CZ2 3.72Å; E21-W38 HydrophobicContact CG-CH2 4.39Å; E21-W38 HydrophobicContact CG-CZ2 3.72Å; E21-F39 CarbonylContact C-O 3.5Å; E21-F39 WeakPolarHBondContact CA-O 3.11Å; E21-F39 WeakPolarHBondContact CB-O 3.35Å; E21-V40 HydrophobicContact CB-CG2 4.24Å |
| 22 | G | 97.2 | Very high | 89.3 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W38 F39 | G22-W38 VanDerWaalsContact CA-CZ3 3.44Å; G22-F39 PolarHBondContact N-O 3.04Å; G22-F39 PolarHBondContact O-N 2.92Å |
| 23 | Y | 97.2 | Very high | 89.4 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.7 | 174.4 | -71.7 | -76.4 | 0 | 0 | 0 | 111.9 | K36 R37 W38 P52 | Y23-K36 VanDerWaalsContact CB-CE 3.45Å; Y23-K36 HydrophobicContact CD1-CD 4.1Å; Y23-K36 VanDerWaalsContact CD1-CE 3.43Å; Y23-K36 HydrophobicContact CD1-CG 3.7Å; Y23-K36 HydrophobicContact CE1-CG 4.39Å; Y23-K36 HydrophobicContact CG-CD 4.36Å; Y23-K36 HydrophobicContact CG-CG 4.24Å; Y23-R37 WeakPolarHBondContact CA-O 3.39Å; Y23-W38 HydrophobicContact CD1-CB 4.46Å; Y23-W38 HydrophobicContact CD1-CE3 4.02Å; Y23-W38 AromaticContact CD2-CE3 3.67Å; Y23-W38 HydrophobicContact CD2-CE3 3.67Å; Y23-W38 AromaticContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CE1-CB 4.29Å; Y23-W38 HydrophobicContact CE1-CE3 4.01Å; Y23-W38 AromaticContact CE2-CE3 3.64Å; Y23-W38 HydrophobicContact CE2-CE3 3.64Å; Y23-W38 AromaticContact CE2-CZ3 3.73Å; Y23-W38 HydrophobicContact CE2-CZ3 3.73Å; Y23-W38 AromaticContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CZ3 4.3Å; Y23-W38 AromaticContact CZ-CE3 3.83Å; Y23-P52 WeakPolarHBondContact OH-CD 3.43Å; Y23-P52 WeakPolarHBondContact OH-CG 3.29Å |
| 24 | L | 97.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.8 | 162.7 | -69.7 | 169.2 | 0 | 0 | 0 | 109.6 | R37 F39 F79 F93 A95 W104 | L24-R37 PolarHBondContact N-O 2.94Å; L24-R37 PolarHBondContact O-N 2.8Å; L24-F39 HydrophobicContact CB-CD2 3.6Å; L24-F39 HydrophobicContact CB-CE2 3.62Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CD2 4.09Å; L24-F39 HydrophobicContact CD1-CE2 4.49Å; L24-F39 HydrophobicContact CD1-CG 4.18Å; L24-F39 HydrophobicContact CG-CD2 4.16Å; L24-F79 HydrophobicContact CD1-CZ 3.93Å; L24-F79 HydrophobicContact CD2-CE1 4Å; L24-F79 HydrophobicContact CD2-CZ 4.05Å; L24-F93 HydrophobicContact CB-CD1 4.39Å; L24-F93 HydrophobicContact CD1-CD1 4.28Å; L24-F93 HydrophobicContact CD1-CG 4.45Å; L24-A95 HydrophobicContact CD2-CB 3.99Å; L24-W104 HydrophobicContact CD1-CD2 3.78Å; L24-W104 HydrophobicContact CD1-CE3 4.14Å; L24-W104 HydrophobicContact CD1-CG 4.11Å; L24-W104 HydrophobicContact CD1-CZ2 4.22Å; L24-W104 HydrophobicContact CD2-CD2 4.38Å; L24-W104 HydrophobicContact CD2-CG 3.99Å; L24-W104 HydrophobicContact CG-CD2 4.2Å; L24-W104 HydrophobicContact CG-CG 4.34Å; L24-W104 HydrophobicContact CG-CZ2 4.25Å |
| 25 | S | 96.1 | Very high | 90.3 | Very high | 34 Ų | 34 | 75.7 Ų | 75.7 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 112.1 | 168.8 | -72 | 0 | 0 | 0 | 0 | 108.5 | Y34 F93 S94 | S25-Y34 WeakPolarHBondContact O-CD1 3.25Å; S25-F93 CarbonylContact O-C 3.57Å; S25-F93 WeakPolarHBondContact O-CA 3.29Å; S25-S94 PolarHBondContact N-O 3.04Å; S25-S94 PolarHBondContact O-N 3.05Å |
| 26 | K | 94.5 | Very high | 90.9 | Very high | 16 Ų | 16 | 73.3 Ų | 73.3 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.3 | -178.3 | 177.4 | -177.7 | 169.8 | -60.9 | 0 | 110.9 | G28 Y34 Q35 F39 F93 | K26-G28 PolarHBondContact O-N 3.44Å; K26-Y34 WeakPolarHBondContact O-CA 3.4Å; K26-Q35 PolarHBondContact N-O 3.01Å; K26-Q35 PolarHBondContact O-N 2.95Å; K26-F39 HydrophobicContact CB-CE2 4.38Å; K26-F39 HydrophobicContact CB-CZ 3.95Å; K26-F39 HydrophobicContact CD-CZ 3.88Å; K26-F39 HydrophobicContact CG-CZ 4.4Å; K26-F93 HydrophobicContact CB-CD1 3.95Å; K26-F93 HydrophobicContact CB-CE1 3.99Å; K26-F93 HydrophobicContact CD-CE1 3.99Å; K26-F93 HydrophobicContact CG-CD1 4.12Å; K26-F93 HydrophobicContact CG-CE1 3.76Å |
| 27 | K | 93.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 72.9 Ų | 72.9 | 27% | 0.27 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130.3 | 173.4 | -158.5 | 172.5 | -173.5 | 164.5 | 0 | 110.7 | T32 Y34 K92 | K27-T32 WeakPolarHBondContact CE-O 3.42Å; K27-T32 WeakPolarHBondContact CG-O 3.47Å; K27-Y34 HydrophobicContact CB-CD1 4.32Å; K27-Y34 HydrophobicContact CB-CD2 4.38Å; K27-Y34 HydrophobicContact CB-CE1 4.02Å; K27-Y34 HydrophobicContact CB-CE2 4.06Å; K27-Y34 HydrophobicContact CB-CG 4.5Å; K27-Y34 HydrophobicContact CD-CE2 3.78Å; K27-Y34 HydrophobicContact CG-CD2 4.17Å; K27-Y34 HydrophobicContact CG-CE2 3.82Å; K27-K92 HydrophobicContact CB-CB 3.93Å; K27-K92 HydrophobicContact CD-CB 4.39Å; K27-K92 HydrophobicContact CD-CD 4.16Å; K27-K92 PolarHBondContact N-O 3.13Å |
| 28 | G | 87.8 | Confident | 91.8 | Very high | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 153.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K26 K31 S33 | K26-G28 PolarHBondContact O-N 3.44Å; G28-K31 CarbonylContact C-O 3.59Å; G28-K31 WeakPolarHBondContact CA-O 3.32Å; G28-K31 PolarHBondContact N-O 3.3Å; G28-S33 PolarHBondContact N-O 3Å |
| 29 | E | 80.5 | Confident | 91.9 | Very high | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -82.7 | -46.6 | 179.4 | 173.9 | 172 | -154.3 | 0 | 0 | 111.5 | R89 | E29-R89 WeakPolarHBondContact OE2-CD 3.44Å; E29-R89 IonicContact OE2-CZ 3.05Å; E29-R89 IonicContact OE2-NE 3.33Å; E29-R89 PolarHBondContact OE2-NE 3.23Å; E29-R89 IonicContact OE2-NH1 2.76Å; E29-R89 PolarHBondContact OE2-NH1 3.42Å; E29-R89 IonicContact OE2-NH2 3.76Å |
| 30 | I | 79.6 | Confident | 92 | Very high | 164 Ų | 164 | 63 Ų | 63 | 84% | 0.841 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -85.3 | -51.3 | 177.5 | -57.2 | 170.7 | 0 | 0 | 0 | 110.2 | ||
| 31 | K | 77.9 | Confident | 92 | Very high | 153 Ų | 153 | 61.1 Ų | 61.1 | 67% | 0.665 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -92.7 | 111.4 | 174.1 | -65 | -177.5 | 179.3 | 179.5 | 0 | 107.6 | G28 S33 | G28-K31 CarbonylContact C-O 3.59Å; G28-K31 WeakPolarHBondContact CA-O 3.32Å; G28-K31 PolarHBondContact N-O 3.3Å; K31-S33 PolarHBondContact O-N 3.43Å |
| 32 | T | 83.3 | Confident | 91.8 | Very high | 103 Ų | 103 | 57.3 Ų | 57.3 | 63% | 0.632 | 28% | 0.284 | S | S | * | . | trans | -68.5 | 1.6 | -177.4 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | K27 | K27-T32 WeakPolarHBondContact CE-O 3.42Å; K27-T32 WeakPolarHBondContact CG-O 3.47Å | ||
| 33 | S | 88.8 | Confident | 91.5 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -65.1 | 144.1 | 171.7 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | G28 K31 | G28-S33 PolarHBondContact N-O 3Å; K31-S33 PolarHBondContact O-N 3.43Å |
| 34 | Y | 91.1 | Very high | 91.2 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.8 | 169.1 | -77.9 | -106 | 0 | 0 | 0 | 110.7 | S25 K26 K27 S73 E75 | S25-Y34 WeakPolarHBondContact O-CD1 3.25Å; K26-Y34 WeakPolarHBondContact O-CA 3.4Å; K27-Y34 HydrophobicContact CB-CD1 4.32Å; K27-Y34 HydrophobicContact CB-CD2 4.38Å; K27-Y34 HydrophobicContact CB-CE1 4.02Å; K27-Y34 HydrophobicContact CB-CE2 4.06Å; K27-Y34 HydrophobicContact CB-CG 4.5Å; K27-Y34 HydrophobicContact CD-CE2 3.78Å; K27-Y34 HydrophobicContact CG-CD2 4.17Å; K27-Y34 HydrophobicContact CG-CE2 3.82Å; Y34-S73 PolarHBondContact OH-OG 3.09Å; Y34-E75 HydrophobicContact CD1-CG 4.09Å; Y34-E75 HydrophobicContact CD2-CG 3.81Å; Y34-E75 HydrophobicContact CE1-CB 4.49Å; Y34-E75 HydrophobicContact CE1-CG 4.03Å; Y34-E75 HydrophobicContact CE2-CG 3.76Å; Y34-E75 HydrophobicContact CG-CG 3.98Å |
| 35 | Q | 93.4 | Very high | 91 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.4 | 174.9 | -66.2 | -172.8 | 1.1 | 0 | 0 | 109.9 | K26 R37 | K26-Q35 PolarHBondContact N-O 3.01Å; K26-Q35 PolarHBondContact O-N 2.95Å; Q35-R37 PolarHBondContact O-N 2.85Å |
| 36 | K | 95.2 | Very high | 91 | Very high | 121 Ų | 121 | 56.8 Ų | 56.8 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.7 | 172.3 | -170.8 | 169.1 | -175.7 | 168.5 | 0 | 109.3 | Y23 | Y23-K36 VanDerWaalsContact CB-CE 3.45Å; Y23-K36 HydrophobicContact CD1-CD 4.1Å; Y23-K36 VanDerWaalsContact CD1-CE 3.43Å; Y23-K36 HydrophobicContact CD1-CG 3.7Å; Y23-K36 HydrophobicContact CE1-CG 4.39Å; Y23-K36 HydrophobicContact CG-CD 4.36Å; Y23-K36 HydrophobicContact CG-CG 4.24Å |
| 37 | R | 96.3 | Very high | 91 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.9 | 177.1 | -64.8 | -69.1 | -178 | 165.8 | -4.2 | 109.4 | Y23 L24 Q35 F39 Y48 K49 E50 | Y23-R37 WeakPolarHBondContact CA-O 3.39Å; L24-R37 PolarHBondContact N-O 2.94Å; L24-R37 PolarHBondContact O-N 2.8Å; Q35-R37 PolarHBondContact O-N 2.85Å; R37-F39 HydrophobicContact CB-CD2 4.28Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.21Å; R37-F39 WeakPolarHBondContact O-CD2 3.43Å; R37-Y48 HydrophobicContact CG-CD2 4.34Å; R37-K49 WeakPolarHBondContact CB-O 3.14Å; R37-K49 WeakPolarHBondContact CD-O 3.26Å; R37-E50 IonicContact NH1-OE2 2.69Å |
| 38 | W | 96.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.9 | 172.1 | -177.2 | -100.9 | 0 | 0 | 0 | 109 | E21 G22 Y23 Y48 K49 P52 | E21-W38 HydrophobicContact CB-CZ2 3.72Å; E21-W38 HydrophobicContact CG-CH2 4.39Å; E21-W38 HydrophobicContact CG-CZ2 3.72Å; G22-W38 VanDerWaalsContact CA-CZ3 3.44Å; Y23-W38 HydrophobicContact CD1-CB 4.46Å; Y23-W38 HydrophobicContact CD1-CE3 4.02Å; Y23-W38 AromaticContact CD2-CE3 3.67Å; Y23-W38 HydrophobicContact CD2-CE3 3.67Å; Y23-W38 AromaticContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CD2-CZ3 3.7Å; Y23-W38 HydrophobicContact CE1-CB 4.29Å; Y23-W38 HydrophobicContact CE1-CE3 4.01Å; Y23-W38 AromaticContact CE2-CE3 3.64Å; Y23-W38 HydrophobicContact CE2-CE3 3.64Å; Y23-W38 AromaticContact CE2-CZ3 3.73Å; Y23-W38 HydrophobicContact CE2-CZ3 3.73Å; Y23-W38 AromaticContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CE3 3.88Å; Y23-W38 HydrophobicContact CG-CZ3 4.3Å; Y23-W38 AromaticContact CZ-CE3 3.83Å; W38-Y48 CarbonylContact O-C 3.42Å; W38-Y48 WeakPolarHBondContact O-CA 3.5Å; W38-K49 HydrophobicContact CB-CB 4.47Å; W38-K49 PolarHBondContact N-O 2.87Å; W38-K49 PolarHBondContact O-N 2.81Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.22Å; W38-P52 HydrophobicContact CE3-CG 4.47Å; W38-P52 HydrophobicContact CG-CB 4.18Å; W38-P52 HydrophobicContact CZ2-CB 4.43Å |
| 39 | F | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.9 | 179.6 | -74.6 | -97.3 | 0 | 0 | 0 | 110.7 | E21 G22 L24 K26 R37 L46 F47 Y48 F93 W104 | E21-F39 CarbonylContact C-O 3.5Å; E21-F39 WeakPolarHBondContact CA-O 3.11Å; E21-F39 WeakPolarHBondContact CB-O 3.35Å; G22-F39 PolarHBondContact N-O 3.04Å; G22-F39 PolarHBondContact O-N 2.92Å; L24-F39 HydrophobicContact CB-CD2 3.6Å; L24-F39 HydrophobicContact CB-CE2 3.62Å; L24-F39 HydrophobicContact CB-CG 4.48Å; L24-F39 HydrophobicContact CD1-CD2 4.09Å; L24-F39 HydrophobicContact CD1-CE2 4.49Å; L24-F39 HydrophobicContact CD1-CG 4.18Å; L24-F39 HydrophobicContact CG-CD2 4.16Å; K26-F39 HydrophobicContact CB-CE2 4.38Å; K26-F39 HydrophobicContact CB-CZ 3.95Å; K26-F39 HydrophobicContact CD-CZ 3.88Å; K26-F39 HydrophobicContact CG-CZ 4.4Å; R37-F39 HydrophobicContact CB-CD2 4.28Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.21Å; R37-F39 WeakPolarHBondContact O-CD2 3.43Å; F39-L46 HydrophobicContact CB-CD1 4.16Å; F39-L46 HydrophobicContact CD1-CD1 3.91Å; F39-L46 HydrophobicContact CD1-CD2 3.98Å; F39-L46 HydrophobicContact CD1-CG 3.82Å; F39-L46 HydrophobicContact CE1-CD2 4.3Å; F39-L46 HydrophobicContact CE1-CG 4.46Å; F39-F47 CarbonylContact C-O 3.47Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.35Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.09Å; F39-Y48 HydrophobicContact CE1-CG 4.01Å; F39-Y48 HydrophobicContact CZ-CG 4.23Å; F39-F93 HydrophobicContact CE1-CD1 4.47Å; F39-F93 AromaticContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CZ 4.34Å; F39-F93 HydrophobicContact CE2-CE1 4.46Å; F39-F93 HydrophobicContact CZ-CD1 4.08Å; F39-F93 AromaticContact CZ-CE1 3.57Å; F39-F93 HydrophobicContact CZ-CE1 3.57Å; F39-W104 HydrophobicContact CB-CH2 3.55Å; F39-W104 HydrophobicContact CB-CZ2 4.02Å; F39-W104 HydrophobicContact CB-CZ3 4.27Å |
| 40 | V | 96.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 118.7 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | V18 E21 K42 F47 | V18-V40 HydrophobicContact CG1-CG1 3.9Å; V18-V40 HydrophobicContact CG2-CG1 4Å; E21-V40 HydrophobicContact CB-CG2 4.24Å; V40-K42 HydrophobicContact CG1-CD 4.44Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; V40-F47 PolarHBondContact N-O 3.36Å; V40-F47 PolarHBondContact O-N 2.89Å |
| 41 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125 | 175.9 | -179.8 | 64.4 | 0 | 0 | 0 | 109.4 | D19 K20 L46 L63 A107 A111 | D19-L41 HydrophobicContact CB-CD2 4.13Å; D19-L41 HydrophobicContact CB-CG 4.11Å; D19-L41 PolarHBondContact N-O 3.35Å; K20-L41 HydrophobicContact CB-CB 4.38Å; K20-L41 WeakPolarHBondContact O-CB 3.34Å; K20-L41 PolarHBondContact O-N 2.81Å; L41-L46 HydrophobicContact CB-CD1 4.1Å; L41-L46 HydrophobicContact CD1-CB 4.31Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L41-L63 HydrophobicContact CD1-CD1 3.48Å; L41-L63 VanDerWaalsContact CD1-CD1 3.48Å; L41-A107 HydrophobicContact CD2-CB 3.78Å; L41-A111 HydrophobicContact CD1-CB 3.99Å; L41-A111 HydrophobicContact CD2-CB 4.09Å; L41-A111 HydrophobicContact CG-CB 4.45Å |
| 42 | K | 93.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 111 | 174.6 | -68.8 | 178 | 164.7 | -165 | 0 | 109.1 | E12 C14 V18 D19 V40 N44 L45 F47 | E12-K42 PolarHBondContact O-NZ 2.87Å; C14-K42 PolarHBondContact O-NZ 3.43Å; V18-K42 HydrophobicContact CG2-CD 4.48Å; V18-K42 VanDerWaalsContact CG2-CE 3.41Å; V18-K42 HydrophobicContact CG2-CG 4.28Å; D19-K42 WeakPolarHBondContact OD2-CA 3.37Å; V40-K42 HydrophobicContact CG1-CD 4.44Å; V40-K42 HydrophobicContact CG1-CG 4.21Å; K42-N44 PolarHBondContact O-N 2.96Å; K42-L45 PolarHBondContact N-O 2.83Å; K42-L45 PolarHBondContact O-N 2.89Å; K42-F47 HydrophobicContact CB-CE2 4.23Å; K42-F47 HydrophobicContact CD-CE2 4.37Å |
| 43 | G | 90.3 | Very high | 93.4 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -125.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111 | D19 L45 A111 | D19-G43 PolarHBondContact OD2-N 3.05Å; G43-L45 VanDerWaalsContact C-N 3.35Å; G43-A111 WeakPolarHBondContact O-CB 3.21Å |
| 44 | N | 91.8 | Very high | 93.4 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.9 | 177.4 | 67.7 | -27.5 | 0 | 0 | 0 | 113.8 | K42 L63 E64 | K42-N44 PolarHBondContact O-N 2.96Å; N44-L63 WeakPolarHBondContact O-CB 3.47Å; N44-L63 PolarHBondContact O-N 3.42Å; N44-E64 PolarHBondContact ND2-OE2 3.22Å |
| 45 | L | 93.1 | Very high | 93 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | -178.4 | -58.3 | -179.8 | 0 | 0 | 0 | 110.9 | F11 K42 G43 F47 V60 V62 | F11-L45 HydrophobicContact CB-CD1 4.31Å; F11-L45 HydrophobicContact CG-CD1 4.45Å; K42-L45 PolarHBondContact N-O 2.83Å; K42-L45 PolarHBondContact O-N 2.89Å; G43-L45 VanDerWaalsContact C-N 3.35Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE1 4.49Å; L45-F47 HydrophobicContact CB-CE2 3.61Å; L45-F47 HydrophobicContact CB-CZ 3.7Å; L45-F47 HydrophobicContact CD1-CE2 4.3Å; L45-F47 HydrophobicContact CD1-CZ 3.69Å; L45-F47 HydrophobicContact CG-CZ 4.35Å; L45-V60 HydrophobicContact CB-CG2 4.24Å; L45-V60 HydrophobicContact CD2-CG2 4.27Å; L45-V62 HydrophobicContact CD2-CB 4.5Å; L45-V62 HydrophobicContact CD2-CG1 4.44Å; L45-V62 HydrophobicContact CD2-CG2 3.95Å |
| 46 | L | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 101.7 | 175.1 | -178.8 | 67.7 | 0 | 0 | 0 | 109.6 | F39 L41 V60 I61 L63 L81 W104 L108 | F39-L46 HydrophobicContact CB-CD1 4.16Å; F39-L46 HydrophobicContact CD1-CD1 3.91Å; F39-L46 HydrophobicContact CD1-CD2 3.98Å; F39-L46 HydrophobicContact CD1-CG 3.82Å; F39-L46 HydrophobicContact CE1-CD2 4.3Å; F39-L46 HydrophobicContact CE1-CG 4.46Å; L41-L46 HydrophobicContact CB-CD1 4.1Å; L41-L46 HydrophobicContact CD1-CB 4.31Å; L41-L46 HydrophobicContact CD1-CD1 4.3Å; L46-V60 WeakPolarHBondContact O-CA 3.31Å; L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.32Å; L46-I61 PolarHBondContact N-O 3.27Å; L46-I61 PolarHBondContact O-N 3Å; L46-L63 HydrophobicContact CB-CD1 4.33Å; L46-L63 HydrophobicContact CB-CD2 4.21Å; L46-L63 HydrophobicContact CB-CG 4.32Å; L46-L63 HydrophobicContact CD2-CD2 4.49Å; L46-L81 HydrophobicContact CD2-CD1 4.28Å; L46-W104 HydrophobicContact CD1-CZ3 4.14Å; L46-L108 HydrophobicContact CD1-CD2 4.49Å; L46-L108 HydrophobicContact CD2-CD2 4Å |
| 47 | F | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 150 | 177 | -56 | -81.7 | 0 | 0 | 0 | 110.6 | V8 F11 E12 F39 V40 K42 L45 V57 V60 | V8-F47 HydrophobicContact CG1-CD1 4.11Å; V8-F47 HydrophobicContact CG1-CE1 4.06Å; F11-F47 HydrophobicContact CB-CE1 4.46Å; F11-F47 HydrophobicContact CB-CZ 3.97Å; E12-F47 HydrophobicContact CB-CD1 4.08Å; E12-F47 HydrophobicContact CB-CD2 4.48Å; E12-F47 HydrophobicContact CB-CE1 4.08Å; E12-F47 HydrophobicContact CB-CG 4.27Å; E12-F47 HydrophobicContact CB-CZ 4.3Å; E12-F47 HydrophobicContact CG-CB 4.32Å; E12-F47 HydrophobicContact CG-CD1 4.29Å; E12-F47 HydrophobicContact CG-CD2 4.24Å; E12-F47 HydrophobicContact CG-CG 4.03Å; F39-F47 CarbonylContact C-O 3.47Å; F39-F47 VanDerWaalsContact CA-O 3.29Å; F39-F47 WeakPolarHBondContact CA-O 3.35Å; V40-F47 PolarHBondContact N-O 3.36Å; V40-F47 PolarHBondContact O-N 2.89Å; K42-F47 HydrophobicContact CB-CE2 4.23Å; K42-F47 HydrophobicContact CD-CE2 4.37Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE1 4.49Å; L45-F47 HydrophobicContact CB-CE2 3.61Å; L45-F47 HydrophobicContact CB-CZ 3.7Å; L45-F47 HydrophobicContact CD1-CE2 4.3Å; L45-F47 HydrophobicContact CD1-CZ 3.69Å; L45-F47 HydrophobicContact CG-CZ 4.35Å; F47-V57 HydrophobicContact CB-CG1 4.26Å; F47-V57 HydrophobicContact CD1-CG1 4.07Å; F47-V57 HydrophobicContact CD1-CG2 4.49Å; F47-V60 HydrophobicContact CD1-CB 3.89Å; F47-V60 HydrophobicContact CD1-CG2 3.71Å; F47-V60 HydrophobicContact CE1-CB 4.09Å; F47-V60 HydrophobicContact CE1-CG2 3.63Å; F47-V60 HydrophobicContact CG-CG2 4.46Å; F47-V60 HydrophobicContact CZ-CG2 4.3Å |
| 48 | Y | 95.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 54 Ų | 54 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.3 | 169.2 | 65.1 | -87.6 | 0 | 0 | 0 | 113.3 | R37 W38 F39 V58 G59 I61 | R37-Y48 HydrophobicContact CG-CD2 4.34Å; W38-Y48 CarbonylContact O-C 3.42Å; W38-Y48 WeakPolarHBondContact O-CA 3.5Å; F39-Y48 VanDerWaalsContact CE1-CB 3.49Å; F39-Y48 HydrophobicContact CE1-CD1 4.09Å; F39-Y48 HydrophobicContact CE1-CG 4.01Å; F39-Y48 HydrophobicContact CZ-CG 4.23Å; Y48-V58 HydrophobicContact CD2-CB 3.78Å; Y48-V58 HydrophobicContact CD2-CG1 4.06Å; Y48-V58 HydrophobicContact CE2-CB 3.64Å; Y48-V58 HydrophobicContact CE2-CG1 3.48Å; Y48-V58 VanDerWaalsContact CE2-CG1 3.48Å; Y48-V58 WeakPolarHBondContact O-CB 3.47Å; Y48-V58 PolarHBondContact O-N 2.88Å; Y48-G59 VanDerWaalsContact CD1-O 3.27Å; Y48-G59 WeakPolarHBondContact CD1-O 3.41Å; Y48-G59 VanDerWaalsContact CE1-C 3.42Å; Y48-G59 PolarHBondContact N-O 2.97Å; Y48-G59 PolarHBondContact O-N 2.78Å; Y48-I61 HydrophobicContact CD1-CD1 4.49Å; Y48-I61 HydrophobicContact CE1-CD1 4.46Å; Y48-I61 HydrophobicContact CE1-CG1 4.36Å |
| 49 | K | 94.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.6 | -175.3 | -62.8 | 179.5 | 172.9 | -172 | 0 | 110.2 | E12 R37 W38 D54 | E12-K49 VanDerWaalsContact CD-CE 3.45Å; E12-K49 WeakPolarHBondContact OE1-CE 3.27Å; E12-K49 IonicContact OE1-NZ 3.77Å; E12-K49 PolarHBondContact OE1-NZ 2.75Å; E12-K49 IonicContact OE2-NZ 3.74Å; E12-K49 PolarHBondContact OE2-NZ 3.49Å; R37-K49 WeakPolarHBondContact CB-O 3.14Å; R37-K49 WeakPolarHBondContact CD-O 3.26Å; W38-K49 HydrophobicContact CB-CB 4.47Å; W38-K49 PolarHBondContact N-O 2.87Å; W38-K49 PolarHBondContact O-N 2.81Å; K49-D54 HydrophobicContact CB-CB 4.42Å; K49-D54 HydrophobicContact CD-CB 4.43Å; K49-D54 WeakPolarHBondContact CD-O 3.33Å; K49-D54 WeakPolarHBondContact CE-O 3.42Å; K49-D54 PolarHBondContact NZ-O 3.28Å |
| 50 | E | 93.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -71.9 | -46.7 | 173.2 | -167.3 | 167.8 | 150.7 | 0 | 0 | 111 | R37 D54 | R37-E50 IonicContact NH1-OE2 2.69Å; E50-D54 WeakPolarHBondContact CB-OD2 3.2Å |
| 51 | R | 94 | Very high | 91.7 | Very high | 158 Ų | 158 | 54 Ų | 54 | 60% | 0.596 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -133.5 | 156.4 | 179.5 | -58.4 | -179.4 | -170.5 | -169.3 | 2.2 | 111.5 | G53 D54 | R51-G53 PolarHBondContact O-N 3.19Å; R51-D54 WeakPolarHBondContact CB-OD2 3.5Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 PolarHBondContact O-N 3.13Å |
| 52 | P | 90.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.2 | 167 | 26.4 | -34.1 | 0 | 0 | 0 | 109.4 | Y23 W38 | Y23-P52 WeakPolarHBondContact OH-CD 3.43Å; Y23-P52 WeakPolarHBondContact OH-CG 3.29Å; W38-P52 HydrophobicContact CD2-CB 3.9Å; W38-P52 HydrophobicContact CE3-CB 4.22Å; W38-P52 HydrophobicContact CE3-CG 4.47Å; W38-P52 HydrophobicContact CG-CB 4.18Å; W38-P52 HydrophobicContact CZ2-CB 4.43Å |
| 53 | G | 85.2 | Confident | 91.5 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R51 R55 | R51-G53 PolarHBondContact O-N 3.19Å; G53-R55 PolarHBondContact O-N 2.75Å |
| 54 | D | 88.1 | Confident | 91.5 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -61.7 | 136.8 | 170.8 | -69.9 | -16.8 | 0 | 0 | 0 | 109.9 | K49 E50 R51 | K49-D54 HydrophobicContact CB-CB 4.42Å; K49-D54 HydrophobicContact CD-CB 4.43Å; K49-D54 WeakPolarHBondContact CD-O 3.33Å; K49-D54 WeakPolarHBondContact CE-O 3.42Å; K49-D54 PolarHBondContact NZ-O 3.28Å; E50-D54 WeakPolarHBondContact CB-OD2 3.2Å; R51-D54 WeakPolarHBondContact CB-OD2 3.5Å; R51-D54 PolarHBondContact N-OD2 2.85Å; R51-D54 PolarHBondContact O-N 3.13Å | ||
| 55 | R | 83.6 | Confident | 91.3 | Very high | 222 Ų | 222 | 57.7 Ų | 57.7 | 84% | 0.838 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -76.9 | -33.5 | 176.3 | -68.4 | -173.2 | 177.2 | -176.1 | -0.6 | 111.9 | G53 | G53-R55 PolarHBondContact O-N 2.75Š|
| 56 | D | 85.3 | Confident | 91.2 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -87.1 | 126.1 | -175.2 | -61 | -41.2 | 0 | 0 | 0 | 110.6 | ||
| 57 | V | 91.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | trans | -81.2 | 129.2 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | V8 N9 E12 F47 G59 | V8-V57 HydrophobicContact CG1-CB 3.85Å; V8-V57 HydrophobicContact CG1-CG1 3.65Å; V8-V57 HydrophobicContact CG1-CG2 4.28Å; N9-V57 WeakPolarHBondContact OD1-CG2 3.21Å; N9-V57 PolarHBondContact OD1-N 2.96Å; E12-V57 HydrophobicContact CB-CG2 3.72Å; E12-V57 HydrophobicContact CG-CG2 3.72Å; F47-V57 HydrophobicContact CB-CG1 4.26Å; F47-V57 HydrophobicContact CD1-CG1 4.07Å; F47-V57 HydrophobicContact CD1-CG2 4.49Å; V57-G59 WeakPolarHBondContact CG1-O 3.31Å | ||
| 58 | V | 92 | Very high | 91 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -77.8 | -31.4 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | Y48 | Y48-V58 HydrophobicContact CD2-CB 3.78Å; Y48-V58 HydrophobicContact CD2-CG1 4.06Å; Y48-V58 HydrophobicContact CE2-CB 3.64Å; Y48-V58 HydrophobicContact CE2-CG1 3.48Å; Y48-V58 VanDerWaalsContact CE2-CG1 3.48Å; Y48-V58 WeakPolarHBondContact O-CB 3.47Å; Y48-V58 PolarHBondContact O-N 2.88Å |
| 59 | G | 91.9 | Very high | 91 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 172.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y48 V57 | Y48-G59 VanDerWaalsContact CD1-O 3.27Å; Y48-G59 WeakPolarHBondContact CD1-O 3.41Å; Y48-G59 VanDerWaalsContact CE1-C 3.42Å; Y48-G59 PolarHBondContact N-O 2.97Å; Y48-G59 PolarHBondContact O-N 2.78Å; V57-G59 WeakPolarHBondContact CG1-O 3.31Å |
| 60 | V | 93.5 | Very high | 91 | Very high | 27 Ų | 27 | 69 Ų | 69 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.5 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | I3 V8 L45 L46 F47 | I3-V60 HydrophobicContact CD1-CG1 3.79Å; V8-V60 HydrophobicContact CG1-CB 4.1Å; V8-V60 HydrophobicContact CG1-CG1 4.14Å; V8-V60 HydrophobicContact CG2-CG1 3.87Å; L45-V60 HydrophobicContact CB-CG2 4.24Å; L45-V60 HydrophobicContact CD2-CG2 4.27Å; L46-V60 WeakPolarHBondContact O-CA 3.31Å; F47-V60 HydrophobicContact CD1-CB 3.89Å; F47-V60 HydrophobicContact CD1-CG2 3.71Å; F47-V60 HydrophobicContact CE1-CB 4.09Å; F47-V60 HydrophobicContact CE1-CG2 3.63Å; F47-V60 HydrophobicContact CG-CG2 4.46Å; F47-V60 HydrophobicContact CZ-CG2 4.3Å |
| 61 | I | 93.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.1 | 172.9 | -58.3 | 167.3 | 0 | 0 | 0 | 107 | L46 Y48 L63 L81 W83 Y91 F93 | L46-I61 HydrophobicContact CB-CB 4.26Å; L46-I61 HydrophobicContact CD2-CD1 4.32Å; L46-I61 PolarHBondContact N-O 3.27Å; L46-I61 PolarHBondContact O-N 3Å; Y48-I61 HydrophobicContact CD1-CD1 4.49Å; Y48-I61 HydrophobicContact CE1-CD1 4.46Å; Y48-I61 HydrophobicContact CE1-CG1 4.36Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; I61-L81 HydrophobicContact CG2-CD1 4.35Å; I61-W83 HydrophobicContact CG2-CH2 3.72Å; I61-W83 HydrophobicContact CG2-CZ2 3.99Å; I61-Y91 HydrophobicContact CD1-CD1 3.79Å; I61-Y91 HydrophobicContact CD1-CD2 4.01Å; I61-Y91 HydrophobicContact CD1-CE1 3.87Å; I61-Y91 HydrophobicContact CD1-CE2 4.14Å; I61-Y91 HydrophobicContact CD1-CG 3.84Å; I61-Y91 HydrophobicContact CG1-CD1 4.46Å; I61-Y91 HydrophobicContact CG1-CD2 4.35Å; I61-Y91 HydrophobicContact CG1-CE1 4.06Å; I61-Y91 HydrophobicContact CG1-CE2 4Å; I61-Y91 HydrophobicContact CG2-CD2 3.99Å; I61-Y91 HydrophobicContact CG2-CE2 3.78Å; I61-F93 HydrophobicContact CD1-CZ 3.94Å |
| 62 | V | 92.3 | Very high | 90.1 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 35% | 0.352 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119.7 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 108 | L45 E64 W83 | L45-V62 HydrophobicContact CD2-CB 4.5Å; L45-V62 HydrophobicContact CD2-CG1 4.44Å; L45-V62 HydrophobicContact CD2-CG2 3.95Å; V62-E64 HydrophobicContact CG1-CB 3.8Å; V62-E64 PolarHBondContact O-N 3.12Å; V62-W83 VanDerWaalsContact O-CZ2 3.31Å; V62-W83 WeakPolarHBondContact O-CZ2 3.42Å |
| 63 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -83.1 | 3.4 | -174.4 | -58.1 | 179.1 | 0 | 0 | 0 | 113.5 | L41 N44 L46 I61 G65 C66 L81 L108 A111 | L41-L63 HydrophobicContact CD1-CD1 3.48Å; L41-L63 VanDerWaalsContact CD1-CD1 3.48Å; N44-L63 WeakPolarHBondContact O-CB 3.47Å; N44-L63 PolarHBondContact O-N 3.42Å; L46-L63 HydrophobicContact CB-CD1 4.33Å; L46-L63 HydrophobicContact CB-CD2 4.21Å; L46-L63 HydrophobicContact CB-CG 4.32Å; L46-L63 HydrophobicContact CD2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CD2 4.24Å; L63-G65 PolarHBondContact O-N 3.43Å; L63-C66 WeakPolarHBondContact O-CB 3.23Å; L63-C66 PolarHBondContact O-N 3.02Å; L63-C66 VanDerWaalsContact O-N 3.13Å; L63-C66 PolarHBondContact O-SG 3.21Å; L63-L81 HydrophobicContact CD2-CD1 3.65Å; L63-L108 HydrophobicContact CD1-CD2 3.75Å; L63-L108 HydrophobicContact CD2-CD2 4.11Å; L63-A111 HydrophobicContact CD1-CB 3.76Å | ||
| 64 | E | 89.6 | Confident | 89.2 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 123.2 | 172.7 | -160.5 | 92.1 | -176 | 0 | 0 | 110.3 | N44 V62 C66 W83 H113 | N44-E64 PolarHBondContact ND2-OE2 3.22Å; V62-E64 HydrophobicContact CG1-CB 3.8Å; V62-E64 PolarHBondContact O-N 3.12Å; E64-C66 PolarHBondContact O-N 3.42Å; E64-W83 VanDerWaalsContact O-CD1 3.28Å; E64-W83 PolarHBondContact O-NE1 2.77Å; E64-H113 IonicContact OE1-CE1 2.87Å; E64-H113 PolarHBondContact OE1-CE1 3.43Å; E64-H113 IonicContact OE1-CG 3.51Å; E64-H113 IonicContact OE1-ND1 3.64Å; E64-H113 PolarHBondContact OE1-ND1 3.19Å; E64-H113 IonicContact OE2-ND1 3.42Å |
| 65 | G | 87.6 | Confident | 89.1 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 12.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L63 | L63-G65 PolarHBondContact O-N 3.43Š|
| 66 | C | 91.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 148.2 | 177 | 83.4 | 0 | 0 | 0 | 0 | 111.7 | L63 E64 V82 W83 | L63-C66 WeakPolarHBondContact O-CB 3.23Å; L63-C66 PolarHBondContact O-N 3.02Å; L63-C66 VanDerWaalsContact O-N 3.13Å; L63-C66 PolarHBondContact O-SG 3.21Å; E64-C66 PolarHBondContact O-N 3.42Å; C66-V82 CarbonylContact C-O 3.48Å; C66-W83 HydrophobicContact CB-CD2 4.24Å; C66-W83 HydrophobicContact CB-CH2 4.18Å; C66-W83 HydrophobicContact CB-CZ2 3.52Å |
| 67 | T | 92 | Very high | 89.9 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.4 | 170 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | Q69 V82 | T67-Q69 HydrophobicContact CG2-CG 4.16Å; T67-V82 PolarHBondContact N-O 3.36Å; T67-V82 PolarHBondContact O-N 2.96Å |
| 68 | V | 94.6 | Very high | 90 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.2 | 174.8 | -168.2 | 0 | 0 | 0 | 0 | 108.6 | F79 S80 L81 I105 L108 L109 | V68-F79 HydrophobicContact CG1-CD2 4.25Å; V68-S80 WeakPolarHBondContact CA-O 3.01Å; V68-L81 HydrophobicContact CB-CD2 4.38Å; V68-L81 HydrophobicContact CG1-CD2 4.47Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; V68-I105 HydrophobicContact CG1-CB 4.46Å; V68-I105 HydrophobicContact CG1-CG1 4.06Å; V68-I105 HydrophobicContact CG1-CG2 4.12Å; V68-L108 HydrophobicContact CG2-CB 3.87Å; V68-L109 HydrophobicContact CB-CD2 4.02Å; V68-L109 HydrophobicContact CB-CG 4.43Å; V68-L109 HydrophobicContact CG2-CD2 3.79Å; V68-L109 HydrophobicContact CG2-CG 4.11Å |
| 69 | Q | 94.4 | Very high | 90.3 | Very high | 93 Ų | 93 | 63.8 Ų | 63.8 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.5 | 178.3 | -65.5 | -175 | -15 | 0 | 0 | 110.6 | T67 F79 S80 | T67-Q69 HydrophobicContact CG2-CG 4.16Å; Q69-F79 CarbonylContact O-C 3.57Å; Q69-F79 VanDerWaalsContact O-CA 3.31Å; Q69-F79 WeakPolarHBondContact O-CA 3.35Å; Q69-F79 WeakPolarHBondContact O-CB 3.43Å; Q69-S80 PolarHBondContact N-O 2.89Å; Q69-S80 PolarHBondContact O-N 2.8Å |
| 70 | L | 94.1 | Very high | 90.4 | Very high | 126 Ų | 126 | 63.2 Ų | 63.2 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 142.4 | 165 | -70.8 | 172.1 | 0 | 0 | 0 | 109 | I105 | L70-I105 HydrophobicContact CD2-CD1 3.47Å; L70-I105 VanDerWaalsContact CD2-CD1 3.47Å; L70-I105 HydrophobicContact CG-CD1 4.39Å |
| 71 | C | 88.7 | Confident | 90.5 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | trans | -132.4 | 133.9 | -179 | -65.3 | 0 | 0 | 0 | 0 | 110 | A78 S80 | C71-A78 PolarHBondContact N-O 2.69Å; C71-S80 VanDerWaalsContact SG-CB 3.56Å; C71-S80 PolarHBondContact SG-OG 3.32Å | ||
| 72 | E | 79.5 | Confident | 90.5 | Very high | 206 Ų | 206 | 63.4 Ų | 63.4 | 96% | 0.963 | 34% | 0.335 | S | S | * | . | trans | -75.5 | 124.1 | 161.1 | -64.7 | -176.8 | 169.9 | 0 | 0 | 108.1 | ||||
| 73 | S | 79.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | trans | -144.7 | 165.8 | -178.3 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | Y34 E75 | Y34-S73 PolarHBondContact OH-OG 3.09Å; S73-E75 PolarHBondContact O-N 2.83Å | ||
| 74 | E | 77.6 | Confident | 90.3 | Very high | 200 Ų | 200 | 67.4 Ų | 67.4 | 94% | 0.935 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -61.2 | -30.7 | 171.2 | -66.3 | 175.8 | -177.1 | 0 | 0 | 111.7 | ||
| 75 | E | 86 | Confident | 90.2 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.6 | 134.7 | 173.5 | -64.7 | -66.9 | 165.3 | 0 | 0 | 111 | Y34 S73 A78 | Y34-E75 HydrophobicContact CD1-CG 4.09Å; Y34-E75 HydrophobicContact CD2-CG 3.81Å; Y34-E75 HydrophobicContact CE1-CB 4.49Å; Y34-E75 HydrophobicContact CE1-CG 4.03Å; Y34-E75 HydrophobicContact CE2-CG 3.76Å; Y34-E75 HydrophobicContact CG-CG 3.98Å; S73-E75 PolarHBondContact O-N 2.83Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å |
| 76 | Q | 90.6 | Very high | 90 | Very high | 141 Ų | 141 | 73 Ų | 73 | 66% | 0.659 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 154.8 | 174.3 | -64.7 | 180 | -9.7 | 0 | 0 | 110.8 | A78 S94 | Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 2.71Å; Q76-S94 PolarHBondContact O-OG 2.91Å |
| 77 | F | 94.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 27% | 0.268 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 39.6 | 174.8 | -42.6 | -62.6 | 0 | 0 | 0 | 113.4 | A95 Q98 Q101 | F77-A95 HydrophobicContact CB-CB 4.36Å; F77-A95 PolarHBondContact O-N 2.72Å; F77-Q98 HydrophobicContact CD1-CB 3.91Å; F77-Q98 VanDerWaalsContact CD1-OE1 3.27Å; F77-Q98 HydrophobicContact CE1-CB 3.71Å; F77-Q101 HydrophobicContact CB-CB 4.03Å; F77-Q101 HydrophobicContact CB-CG 4.29Å; F77-Q101 WeakPolarHBondContact O-CG 3.4Å; F77-Q101 PolarHBondContact O-NE2 3.3Å |
| 78 | A | 95.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 5% | 0.05 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 144.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C71 E75 Q76 F93 Q101 | C71-A78 PolarHBondContact N-O 2.69Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å; Q76-A78 VanDerWaalsContact C-N 3.25Å; Q76-A78 PolarHBondContact O-N 2.71Å; A78-F93 VanDerWaalsContact CA-O 3.23Å; A78-F93 WeakPolarHBondContact CA-O 3.33Å; A78-Q101 PolarHBondContact O-NE2 3.04Å |
| 79 | F | 96.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 80 Ų | 80 | 0% | 0.004 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 166.9 | 174.9 | 65.2 | -83.2 | 0 | 0 | 0 | 110.3 | L24 V68 Q69 F93 Q101 W104 I105 L108 | L24-F79 HydrophobicContact CD1-CZ 3.93Å; L24-F79 HydrophobicContact CD2-CE1 4Å; L24-F79 HydrophobicContact CD2-CZ 4.05Å; V68-F79 HydrophobicContact CG1-CD2 4.25Å; Q69-F79 CarbonylContact O-C 3.57Å; Q69-F79 VanDerWaalsContact O-CA 3.31Å; Q69-F79 WeakPolarHBondContact O-CA 3.35Å; Q69-F79 WeakPolarHBondContact O-CB 3.43Å; F79-F93 HydrophobicContact CD1-CB 4.18Å; F79-F93 HydrophobicContact CD2-CB 4.3Å; F79-F93 HydrophobicContact CD2-CD2 4.13Å; F79-F93 HydrophobicContact CE1-CB 3.74Å; F79-F93 HydrophobicContact CE2-CB 3.85Å; F79-F93 AromaticContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CG 4.05Å; F79-F93 HydrophobicContact CG-CB 4.45Å; F79-F93 HydrophobicContact CZ-CB 3.56Å; F79-F93 HydrophobicContact CZ-CD2 4.17Å; F79-F93 HydrophobicContact CZ-CG 4.08Å; F79-F93 PolarHBondContact N-O 2.89Å; F79-F93 PolarHBondContact O-N 3.23Å; F79-Q101 HydrophobicContact CD1-CG 3.9Å; F79-Q101 HydrophobicContact CE1-CG 4.41Å; F79-W104 HydrophobicContact CE1-CB 4.41Å; F79-W104 HydrophobicContact CZ-CB 4.03Å; F79-I105 HydrophobicContact CB-CD1 4.19Å; F79-I105 HydrophobicContact CB-CG1 4.38Å; F79-I105 HydrophobicContact CD2-CG1 4.33Å; F79-I105 HydrophobicContact CG-CD1 4.42Å; F79-I105 HydrophobicContact CG-CG1 4.17Å; F79-L108 HydrophobicContact CD2-CD1 4.38Å; F79-L108 HydrophobicContact CE2-CD1 3.55Å; F79-L108 HydrophobicContact CZ-CD1 4.25Å |
| 80 | S | 95.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154.4 | 179.8 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | V68 Q69 C71 Y91 | V68-S80 WeakPolarHBondContact CA-O 3.01Å; Q69-S80 PolarHBondContact N-O 2.89Å; Q69-S80 PolarHBondContact O-N 2.8Å; C71-S80 VanDerWaalsContact SG-CB 3.56Å; C71-S80 PolarHBondContact SG-OG 3.32Å; S80-Y91 CarbonylContact C-O 3.2Å; S80-Y91 WeakPolarHBondContact CA-O 3.21Å; S80-Y91 VanDerWaalsContact CB-O 3.26Å; S80-Y91 WeakPolarHBondContact CB-O 3.46Å |
| 81 | L | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.8 | 166.8 | -62.3 | 178.3 | 0 | 0 | 0 | 108.4 | L46 I61 L63 V68 W83 T90 Y91 F93 L108 | L46-L81 HydrophobicContact CD2-CD1 4.28Å; I61-L81 HydrophobicContact CG2-CD1 4.35Å; L63-L81 HydrophobicContact CD2-CD1 3.65Å; V68-L81 HydrophobicContact CB-CD2 4.38Å; V68-L81 HydrophobicContact CG1-CD2 4.47Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; L81-W83 HydrophobicContact CB-CH2 3.7Å; L81-W83 HydrophobicContact CB-CZ3 3.76Å; L81-W83 HydrophobicContact CD1-CH2 4.34Å; L81-W83 WeakPolarHBondContact O-CZ3 3.45Å; L81-T90 WeakPolarHBondContact O-CA 3.49Å; L81-Y91 PolarHBondContact N-O 3.27Å; L81-Y91 PolarHBondContact O-N 2.87Å; L81-F93 HydrophobicContact CB-CE2 4.45Å; L81-F93 HydrophobicContact CD1-CE2 3.75Å; L81-F93 HydrophobicContact CD1-CZ 4.31Å; L81-F93 HydrophobicContact CG-CE2 3.83Å; L81-L108 HydrophobicContact CD2-CD1 4.27Å |
| 82 | V | 93.4 | Very high | 89.4 | Confident | 35 Ų | 35 | 77 Ų | 77 | 21% | 0.212 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.3 | -179 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | C66 T67 T90 | C66-V82 CarbonylContact C-O 3.48Å; T67-V82 PolarHBondContact N-O 3.36Å; T67-V82 PolarHBondContact O-N 2.96Å; V82-T90 HydrophobicContact CG2-CG2 3.99Å |
| 83 | W | 92.7 | Very high | 90.2 | Very high | 37 Ų | 37 | 67.3 Ų | 67.3 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.5 | 171.7 | -71.5 | -102.8 | 0 | 0 | 0 | 109.2 | I61 V62 E64 C66 L81 E85 L88 R89 Y91 | I61-W83 HydrophobicContact CG2-CH2 3.72Å; I61-W83 HydrophobicContact CG2-CZ2 3.99Å; V62-W83 VanDerWaalsContact O-CZ2 3.31Å; V62-W83 WeakPolarHBondContact O-CZ2 3.42Å; E64-W83 VanDerWaalsContact O-CD1 3.28Å; E64-W83 PolarHBondContact O-NE1 2.77Å; C66-W83 HydrophobicContact CB-CD2 4.24Å; C66-W83 HydrophobicContact CB-CH2 4.18Å; C66-W83 HydrophobicContact CB-CZ2 3.52Å; L81-W83 HydrophobicContact CB-CH2 3.7Å; L81-W83 HydrophobicContact CB-CZ3 3.76Å; L81-W83 HydrophobicContact CD1-CH2 4.34Å; L81-W83 WeakPolarHBondContact O-CZ3 3.45Å; W83-E85 PolarHBondContact O-N 3.06Å; W83-L88 HydrophobicContact CB-CB 3.92Å; W83-L88 HydrophobicContact CB-CD1 3.55Å; W83-L88 HydrophobicContact CB-CG 4.33Å; W83-L88 HydrophobicContact CG-CB 4.39Å; W83-L88 HydrophobicContact CG-CD1 3.72Å; W83-R89 VanDerWaalsContact CZ3-O 3.25Å; W83-R89 WeakPolarHBondContact CZ3-O 3.17Å; W83-Y91 AromaticContact CH2-CD2 3.54Å; W83-Y91 HydrophobicContact CH2-CD2 3.54Å; W83-Y91 AromaticContact CH2-CE2 3.75Å; W83-Y91 HydrophobicContact CH2-CE2 3.75Å; W83-Y91 AromaticContact CZ3-CD2 3.49Å; W83-Y91 HydrophobicContact CZ3-CD2 3.49Å; W83-Y91 VanDerWaalsContact CZ3-CD2 3.49Å; W83-Y91 AromaticContact CZ3-CE2 3.83Å; W83-Y91 HydrophobicContact CZ3-CE2 3.83Å |
| 84 | S | 87.9 | Confident | 91 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.6 | -25.7 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 85 | E | 87.2 | Confident | 91.9 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -70.9 | 126.6 | -180 | -69 | -61.3 | 133.2 | 0 | 0 | 111.5 | W83 L88 | W83-E85 PolarHBondContact O-N 3.06Å; E85-L88 HydrophobicContact CB-CD1 3.72Å; E85-L88 HydrophobicContact CB-CG 3.98Å; E85-L88 HydrophobicContact CG-CD1 4.46Å; E85-L88 PolarHBondContact O-N 2.78Å |
| 86 | P | 84.1 | Confident | 92.4 | Very high | 120 Ų | 120 | 59 Ų | 59 | 78% | 0.779 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 138.7 | -179.3 | 24 | -30.6 | 0 | 0 | 0 | 111.5 | L88 | P86-L88 VanDerWaalsContact C-N 3.34Š|
| 87 | G | 82.4 | Confident | 92.6 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 91% | 0.907 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 88 | L | 87.2 | Confident | 92.7 | Very high | 93 Ų | 93 | 56 Ų | 56 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 145.7 | 168.5 | -65.2 | -170.1 | 0 | 0 | 0 | 111.6 | W83 E85 P86 | W83-L88 HydrophobicContact CB-CB 3.92Å; W83-L88 HydrophobicContact CB-CD1 3.55Å; W83-L88 HydrophobicContact CB-CG 4.33Å; W83-L88 HydrophobicContact CG-CB 4.39Å; W83-L88 HydrophobicContact CG-CD1 3.72Å; E85-L88 HydrophobicContact CB-CD1 3.72Å; E85-L88 HydrophobicContact CB-CG 3.98Å; E85-L88 HydrophobicContact CG-CD1 4.46Å; E85-L88 PolarHBondContact O-N 2.78Å; P86-L88 VanDerWaalsContact C-N 3.34Å |
| 89 | R | 90 | Very high | 92.8 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 128.6 | -176.2 | 175.6 | 175.5 | 175 | 179 | 2.3 | 111.2 | E29 W83 Y91 | E29-R89 WeakPolarHBondContact OE2-CD 3.44Å; E29-R89 IonicContact OE2-CZ 3.05Å; E29-R89 IonicContact OE2-NE 3.33Å; E29-R89 PolarHBondContact OE2-NE 3.23Å; E29-R89 IonicContact OE2-NH1 2.76Å; E29-R89 PolarHBondContact OE2-NH1 3.42Å; E29-R89 IonicContact OE2-NH2 3.76Å; W83-R89 VanDerWaalsContact CZ3-O 3.25Å; W83-R89 WeakPolarHBondContact CZ3-O 3.17Å; R89-Y91 HydrophobicContact CB-CE2 4.45Å; R89-Y91 HydrophobicContact CG-CD1 4.43Å; R89-Y91 HydrophobicContact CG-CE1 4.11Å; R89-Y91 HydrophobicContact CG-CE2 4.3Å; R89-Y91 VanDerWaalsContact CZ-CE1 3.47Å |
| 90 | T | 92.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 129.8 | 164.7 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | L81 V82 K92 | L81-T90 WeakPolarHBondContact O-CA 3.49Å; V82-T90 HydrophobicContact CG2-CG2 3.99Å; T90-K92 HydrophobicContact CG2-CG 4.33Å |
| 91 | Y | 94.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.3 | 171.3 | -61.7 | -82.3 | 0 | 0 | 0 | 110 | I61 S80 L81 W83 R89 F93 | I61-Y91 HydrophobicContact CD1-CD1 3.79Å; I61-Y91 HydrophobicContact CD1-CD2 4.01Å; I61-Y91 HydrophobicContact CD1-CE1 3.87Å; I61-Y91 HydrophobicContact CD1-CE2 4.14Å; I61-Y91 HydrophobicContact CD1-CG 3.84Å; I61-Y91 HydrophobicContact CG1-CD1 4.46Å; I61-Y91 HydrophobicContact CG1-CD2 4.35Å; I61-Y91 HydrophobicContact CG1-CE1 4.06Å; I61-Y91 HydrophobicContact CG1-CE2 4Å; I61-Y91 HydrophobicContact CG2-CD2 3.99Å; I61-Y91 HydrophobicContact CG2-CE2 3.78Å; S80-Y91 CarbonylContact C-O 3.2Å; S80-Y91 WeakPolarHBondContact CA-O 3.21Å; S80-Y91 VanDerWaalsContact CB-O 3.26Å; S80-Y91 WeakPolarHBondContact CB-O 3.46Å; L81-Y91 PolarHBondContact N-O 3.27Å; L81-Y91 PolarHBondContact O-N 2.87Å; W83-Y91 AromaticContact CH2-CD2 3.54Å; W83-Y91 HydrophobicContact CH2-CD2 3.54Å; W83-Y91 AromaticContact CH2-CE2 3.75Å; W83-Y91 HydrophobicContact CH2-CE2 3.75Å; W83-Y91 AromaticContact CZ3-CD2 3.49Å; W83-Y91 HydrophobicContact CZ3-CD2 3.49Å; W83-Y91 VanDerWaalsContact CZ3-CD2 3.49Å; W83-Y91 AromaticContact CZ3-CE2 3.83Å; W83-Y91 HydrophobicContact CZ3-CE2 3.83Å; R89-Y91 HydrophobicContact CB-CE2 4.45Å; R89-Y91 HydrophobicContact CG-CD1 4.43Å; R89-Y91 HydrophobicContact CG-CE1 4.11Å; R89-Y91 HydrophobicContact CG-CE2 4.3Å; R89-Y91 VanDerWaalsContact CZ-CE1 3.47Å; Y91-F93 VanDerWaalsContact CB-CE2 3.49Å; Y91-F93 HydrophobicContact CG-CZ 4.29Å |
| 92 | K | 95 | Very high | 92.9 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 37% | 0.365 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.3 | 174.5 | -62.5 | -171.6 | 175.8 | -168.1 | 0 | 110 | K27 T90 | K27-K92 HydrophobicContact CB-CB 3.93Å; K27-K92 HydrophobicContact CD-CB 4.39Å; K27-K92 HydrophobicContact CD-CD 4.16Å; K27-K92 PolarHBondContact N-O 3.13Å; T90-K92 HydrophobicContact CG2-CG 4.33Å |
| 93 | F | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.5 | -178.8 | -55.2 | -77.5 | 0 | 0 | 0 | 110.6 | L24 S25 K26 F39 I61 A78 F79 L81 Y91 | L24-F93 HydrophobicContact CB-CD1 4.39Å; L24-F93 HydrophobicContact CD1-CD1 4.28Å; L24-F93 HydrophobicContact CD1-CG 4.45Å; S25-F93 CarbonylContact O-C 3.57Å; S25-F93 WeakPolarHBondContact O-CA 3.29Å; K26-F93 HydrophobicContact CB-CD1 3.95Å; K26-F93 HydrophobicContact CB-CE1 3.99Å; K26-F93 HydrophobicContact CD-CE1 3.99Å; K26-F93 HydrophobicContact CG-CD1 4.12Å; K26-F93 HydrophobicContact CG-CE1 3.76Å; F39-F93 HydrophobicContact CE1-CD1 4.47Å; F39-F93 AromaticContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CE1 3.66Å; F39-F93 HydrophobicContact CE1-CZ 4.34Å; F39-F93 HydrophobicContact CE2-CE1 4.46Å; F39-F93 HydrophobicContact CZ-CD1 4.08Å; F39-F93 AromaticContact CZ-CE1 3.57Å; F39-F93 HydrophobicContact CZ-CE1 3.57Å; I61-F93 HydrophobicContact CD1-CZ 3.94Å; A78-F93 VanDerWaalsContact CA-O 3.23Å; A78-F93 WeakPolarHBondContact CA-O 3.33Å; F79-F93 HydrophobicContact CD1-CB 4.18Å; F79-F93 HydrophobicContact CD2-CB 4.3Å; F79-F93 HydrophobicContact CD2-CD2 4.13Å; F79-F93 HydrophobicContact CE1-CB 3.74Å; F79-F93 HydrophobicContact CE2-CB 3.85Å; F79-F93 AromaticContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CD2 3.66Å; F79-F93 HydrophobicContact CE2-CG 4.05Å; F79-F93 HydrophobicContact CG-CB 4.45Å; F79-F93 HydrophobicContact CZ-CB 3.56Å; F79-F93 HydrophobicContact CZ-CD2 4.17Å; F79-F93 HydrophobicContact CZ-CG 4.08Å; F79-F93 PolarHBondContact N-O 2.89Å; F79-F93 PolarHBondContact O-N 3.23Å; L81-F93 HydrophobicContact CB-CE2 4.45Å; L81-F93 HydrophobicContact CD1-CE2 3.75Å; L81-F93 HydrophobicContact CD1-CZ 4.31Å; L81-F93 HydrophobicContact CG-CE2 3.83Å; Y91-F93 VanDerWaalsContact CB-CE2 3.49Å; Y91-F93 HydrophobicContact CG-CZ 4.29Å |
| 94 | S | 96.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.1 | 166.6 | 159.4 | 0 | 0 | 0 | 0 | 108.2 | S25 Q76 | S25-S94 PolarHBondContact N-O 3.04Å; S25-S94 PolarHBondContact O-N 3.05Å; Q76-S94 PolarHBondContact O-OG 2.91Å |
| 95 | A | 96.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | trans | -96.5 | 164.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | L24 F77 D97 Q101 | L24-A95 HydrophobicContact CD2-CB 3.99Å; F77-A95 HydrophobicContact CB-CB 4.36Å; F77-A95 PolarHBondContact O-N 2.72Å; A95-D97 VanDerWaalsContact C-N 3.34Å; A95-Q101 HydrophobicContact CB-CB 3.91Å | ||
| 96 | E | 95.3 | Very high | 94.2 | Very high | 142 Ų | 142 | 62.7 Ų | 62.7 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -73.7 | -26.6 | -179.8 | 68 | -167.5 | 168.2 | 0 | 0 | 113.4 | ||
| 97 | D | 96.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -152.4 | 167.8 | -179.4 | 71.3 | 89.7 | 0 | 0 | 0 | 111.5 | A95 A99 S100 Q101 | A95-D97 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CA 3.49Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 2.61Å; D97-S100 PolarHBondContact O-N 3.41Å; D97-S100 PolarHBondContact OD1-N 3.34Å; D97-S100 WeakPolarHBondContact OD2-CB 3.47Å; D97-S100 PolarHBondContact OD2-OG 2.81Å; D97-Q101 PolarHBondContact O-N 3.39Å |
| 98 | Q | 96.1 | Very high | 95.4 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | -179.7 | -177.7 | 66.2 | 24 | 0 | 0 | 112.9 | F77 S100 Q101 E102 | F77-Q98 HydrophobicContact CD1-CB 3.91Å; F77-Q98 VanDerWaalsContact CD1-OE1 3.27Å; F77-Q98 HydrophobicContact CE1-CB 3.71Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; Q98-Q101 PolarHBondContact O-N 2.93Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q98-E102 PolarHBondContact NE2-OE1 3.44Å; Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.27Å |
| 99 | A | 96.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 53 Ų | 53 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D97 E102 S103 | D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CA 3.49Å; D97-A99 VanDerWaalsContact OD1-CB 3.27Å; D97-A99 WeakPolarHBondContact OD1-CB 3.49Å; D97-A99 PolarHBondContact OD1-N 2.61Å; A99-E102 PolarHBondContact O-N 3.02Å; A99-S103 VanDerWaalsContact O-CB 3.22Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.11Å |
| 100 | S | 96.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 171.1 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | D97 Q98 S103 W104 | D97-S100 PolarHBondContact O-N 3.41Å; D97-S100 PolarHBondContact OD1-N 3.34Å; D97-S100 WeakPolarHBondContact OD2-CB 3.47Å; D97-S100 PolarHBondContact OD2-OG 2.81Å; Q98-S100 VanDerWaalsContact C-N 3.35Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-W104 WeakPolarHBondContact O-CB 3.39Å; S100-W104 PolarHBondContact O-N 3.17Å |
| 101 | Q | 97.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -52.1 | 176.2 | -171.3 | -167.6 | 24.9 | 0 | 0 | 111.7 | F77 A78 F79 A95 D97 Q98 S103 W104 I105 | F77-Q101 HydrophobicContact CB-CB 4.03Å; F77-Q101 HydrophobicContact CB-CG 4.29Å; F77-Q101 WeakPolarHBondContact O-CG 3.4Å; F77-Q101 PolarHBondContact O-NE2 3.3Å; A78-Q101 PolarHBondContact O-NE2 3.04Å; F79-Q101 HydrophobicContact CD1-CG 3.9Å; F79-Q101 HydrophobicContact CE1-CG 4.41Å; A95-Q101 HydrophobicContact CB-CB 3.91Å; D97-Q101 PolarHBondContact O-N 3.39Å; Q98-Q101 WeakPolarHBondContact O-CB 3.45Å; Q98-Q101 PolarHBondContact O-N 2.93Å; Q101-S103 VanDerWaalsContact C-N 3.31Å; Q101-S103 PolarHBondContact O-N 3.45Å; Q101-W104 PolarHBondContact O-N 2.93Å; Q101-I105 HydrophobicContact CG-CD1 3.84Å; Q101-I105 HydrophobicContact CG-CG1 4.49Å; Q101-I105 WeakPolarHBondContact O-CG1 3.48Å; Q101-I105 PolarHBondContact O-N 2.91Å |
| 102 | E | 96.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 48 Ų | 48 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 179.6 | -73 | 173.7 | -172.4 | 0 | 0 | 111.5 | Q98 A99 W104 I105 K106 | Q98-E102 WeakPolarHBondContact CG-OE1 3.48Å; Q98-E102 PolarHBondContact NE2-OE1 3.44Å; Q98-E102 WeakPolarHBondContact O-CG 3.45Å; Q98-E102 PolarHBondContact O-N 3.27Å; A99-E102 PolarHBondContact O-N 3.02Å; E102-W104 VanDerWaalsContact C-N 3.33Å; E102-W104 PolarHBondContact O-N 3.41Å; E102-I105 PolarHBondContact O-N 3.24Å; E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.15Å; E102-K106 PolarHBondContact O-N 2.99Å |
| 103 | S | 97.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | K20 A99 S100 Q101 A107 | K20-S103 WeakPolarHBondContact CE-OG 3.48Å; K20-S103 PolarHBondContact NZ-OG 3.33Å; A99-S103 VanDerWaalsContact O-CB 3.22Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.11Å; S100-S103 PolarHBondContact O-N 3.42Å; Q101-S103 VanDerWaalsContact C-N 3.31Å; Q101-S103 PolarHBondContact O-N 3.45Å; S103-A107 WeakPolarHBondContact O-CB 3.22Å; S103-A107 PolarHBondContact O-N 2.88Å; S103-A107 VanDerWaalsContact O-N 3.11Å |
| 104 | W | 97.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 175.3 | -85.9 | 113.5 | 0 | 0 | 0 | 112.4 | K20 L24 F39 L46 F79 S100 Q101 E102 K106 A107 L108 | K20-W104 HydrophobicContact CB-CZ3 4.2Å; K20-W104 HydrophobicContact CD-CD2 3.73Å; K20-W104 HydrophobicContact CD-CE3 3.66Å; K20-W104 HydrophobicContact CD-CG 4.19Å; K20-W104 HydrophobicContact CD-CH2 4.45Å; K20-W104 HydrophobicContact CD-CZ3 4.03Å; K20-W104 VanDerWaalsContact CE-CE2 3.49Å; K20-W104 VanDerWaalsContact CE-CG 3.41Å; K20-W104 HydrophobicContact CG-CD2 4.36Å; K20-W104 HydrophobicContact CG-CE3 4.13Å; K20-W104 HydrophobicContact CG-CH2 4.06Å; K20-W104 HydrophobicContact CG-CZ2 4.31Å; K20-W104 HydrophobicContact CG-CZ3 3.96Å; L24-W104 HydrophobicContact CD1-CD2 3.78Å; L24-W104 HydrophobicContact CD1-CE3 4.14Å; L24-W104 HydrophobicContact CD1-CG 4.11Å; L24-W104 HydrophobicContact CD1-CZ2 4.22Å; L24-W104 HydrophobicContact CD2-CD2 4.38Å; L24-W104 HydrophobicContact CD2-CG 3.99Å; L24-W104 HydrophobicContact CG-CD2 4.2Å; L24-W104 HydrophobicContact CG-CG 4.34Å; L24-W104 HydrophobicContact CG-CZ2 4.25Å; F39-W104 HydrophobicContact CB-CH2 3.55Å; F39-W104 HydrophobicContact CB-CZ2 4.02Å; F39-W104 HydrophobicContact CB-CZ3 4.27Å; L46-W104 HydrophobicContact CD1-CZ3 4.14Å; F79-W104 HydrophobicContact CE1-CB 4.41Å; F79-W104 HydrophobicContact CZ-CB 4.03Å; S100-W104 WeakPolarHBondContact O-CB 3.39Å; S100-W104 PolarHBondContact O-N 3.17Å; Q101-W104 PolarHBondContact O-N 2.93Å; E102-W104 VanDerWaalsContact C-N 3.33Å; E102-W104 PolarHBondContact O-N 3.41Å; W104-K106 VanDerWaalsContact C-N 3.31Å; W104-K106 PolarHBondContact O-N 3.41Å; W104-A107 PolarHBondContact O-N 3.4Å; W104-L108 WeakPolarHBondContact O-CB 3.27Å; W104-L108 WeakPolarHBondContact O-CD1 3.32Å; W104-L108 WeakPolarHBondContact O-CG 3.34Å; W104-L108 PolarHBondContact O-N 2.85Å |
| 105 | I | 96.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 177.3 | -70.1 | 171.5 | 0 | 0 | 0 | 110.1 | V68 L70 F79 Q101 E102 A107 L108 L109 | V68-I105 HydrophobicContact CG1-CB 4.46Å; V68-I105 HydrophobicContact CG1-CG1 4.06Å; V68-I105 HydrophobicContact CG1-CG2 4.12Å; L70-I105 HydrophobicContact CD2-CD1 3.47Å; L70-I105 VanDerWaalsContact CD2-CD1 3.47Å; L70-I105 HydrophobicContact CG-CD1 4.39Å; F79-I105 HydrophobicContact CB-CD1 4.19Å; F79-I105 HydrophobicContact CB-CG1 4.38Å; F79-I105 HydrophobicContact CD2-CG1 4.33Å; F79-I105 HydrophobicContact CG-CD1 4.42Å; F79-I105 HydrophobicContact CG-CG1 4.17Å; Q101-I105 HydrophobicContact CG-CD1 3.84Å; Q101-I105 HydrophobicContact CG-CG1 4.49Å; Q101-I105 WeakPolarHBondContact O-CG1 3.48Å; Q101-I105 PolarHBondContact O-N 2.91Å; E102-I105 PolarHBondContact O-N 3.24Å; I105-A107 PolarHBondContact O-N 3.48Å; I105-L108 PolarHBondContact O-N 3.44Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.27Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 3.28Å |
| 106 | K | 95.8 | Very high | 92.6 | Very high | 162 Ų | 162 | 60.2 Ų | 60.2 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.7 | -48.1 | 177.9 | -175.4 | 177.5 | -180 | 179.9 | 0 | 111.8 | E102 W104 L109 S110 | E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.15Å; E102-K106 PolarHBondContact O-N 2.99Å; W104-K106 VanDerWaalsContact C-N 3.31Å; W104-K106 PolarHBondContact O-N 3.41Å; K106-L109 PolarHBondContact O-N 3.42Å; K106-S110 PolarHBondContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.17Å |
| 107 | A | 96.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K20 L41 S103 W104 I105 S110 A111 | K20-A107 HydrophobicContact CB-CB 3.89Å; K20-A107 HydrophobicContact CD-CB 3.62Å; K20-A107 HydrophobicContact CG-CB 4.39Å; L41-A107 HydrophobicContact CD2-CB 3.78Å; S103-A107 WeakPolarHBondContact O-CB 3.22Å; S103-A107 PolarHBondContact O-N 2.88Å; S103-A107 VanDerWaalsContact O-N 3.11Å; W104-A107 PolarHBondContact O-N 3.4Å; I105-A107 PolarHBondContact O-N 3.48Å; A107-S110 WeakPolarHBondContact CA-OG 3.15Å; A107-S110 PolarHBondContact O-N 2.82Å; A107-S110 PolarHBondContact O-OG 3.48Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.27Å |
| 108 | L | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 177.8 | -68.1 | 166.4 | 0 | 0 | 0 | 112.1 | L46 L63 V68 F79 L81 W104 I105 A111 S112 | L46-L108 HydrophobicContact CD1-CD2 4.49Å; L46-L108 HydrophobicContact CD2-CD2 4Å; L63-L108 HydrophobicContact CD1-CD2 3.75Å; L63-L108 HydrophobicContact CD2-CD2 4.11Å; V68-L108 HydrophobicContact CG2-CB 3.87Å; F79-L108 HydrophobicContact CD2-CD1 4.38Å; F79-L108 HydrophobicContact CE2-CD1 3.55Å; F79-L108 HydrophobicContact CZ-CD1 4.25Å; L81-L108 HydrophobicContact CD2-CD1 4.27Å; W104-L108 WeakPolarHBondContact O-CB 3.27Å; W104-L108 WeakPolarHBondContact O-CD1 3.32Å; W104-L108 WeakPolarHBondContact O-CG 3.34Å; W104-L108 PolarHBondContact O-N 2.85Å; I105-L108 PolarHBondContact O-N 3.44Å; L108-A111 PolarHBondContact O-N 2.68Å; L108-S112 PolarHBondContact O-N 3.19Å |
| 109 | L | 93 | Very high | 91.6 | Very high | 87 Ų | 87 | 58 Ų | 58 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 175.3 | -70.9 | 172.8 | 0 | 0 | 0 | 111.9 | V68 I105 K106 A111 S112 | V68-L109 HydrophobicContact CB-CD2 4.02Å; V68-L109 HydrophobicContact CB-CG 4.43Å; V68-L109 HydrophobicContact CG2-CD2 3.79Å; V68-L109 HydrophobicContact CG2-CG 4.11Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 HydrophobicContact CG2-CG 4.29Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.27Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 3.28Å; K106-L109 PolarHBondContact O-N 3.42Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 3.3Å; L109-S112 VanDerWaalsContact O-CB 3.29Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.33Å; L109-S112 PolarHBondContact O-OG 3.02Å |
| 110 | S | 90.8 | Very high | 91.4 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.2 | -25.3 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | K106 A107 S112 Y115 | K106-S110 PolarHBondContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.17Å; A107-S110 WeakPolarHBondContact CA-OG 3.15Å; A107-S110 PolarHBondContact O-N 2.82Å; A107-S110 PolarHBondContact O-OG 3.48Å; S110-S112 VanDerWaalsContact C-N 3.28Å; S110-Y115 WeakPolarHBondContact O-CD1 3.45Å |
| 111 | A | 90.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L41 G43 L63 A107 L108 L109 | L41-A111 HydrophobicContact CD1-CB 3.99Å; L41-A111 HydrophobicContact CD2-CB 4.09Å; L41-A111 HydrophobicContact CG-CB 4.45Å; G43-A111 WeakPolarHBondContact O-CB 3.21Å; L63-A111 HydrophobicContact CD1-CB 3.76Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.27Å; L108-A111 PolarHBondContact O-N 2.68Å; L109-A111 VanDerWaalsContact C-N 3.26Å; L109-A111 PolarHBondContact O-N 3.3Å |
| 112 | S | 85.5 | Confident | 91.2 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -69.2 | 142.5 | -177.9 | 70.6 | 0 | 0 | 0 | 0 | 112 | L108 L109 S110 S114 Y115 L116 | L108-S112 PolarHBondContact O-N 3.19Å; L109-S112 VanDerWaalsContact O-CB 3.29Å; L109-S112 WeakPolarHBondContact O-CB 3.38Å; L109-S112 PolarHBondContact O-N 3.33Å; L109-S112 PolarHBondContact O-OG 3.02Å; S110-S112 VanDerWaalsContact C-N 3.28Å; S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 3.39Å; S112-S114 PolarHBondContact OG-OG 3.38Å; S112-Y115 PolarHBondContact O-N 2.86Å; S112-Y115 WeakPolarHBondContact OG-CB 3.48Å; S112-L116 PolarHBondContact O-N 2.93Å; S112-L116 VanDerWaalsContact O-N 3.12Å |
| 113 | H | 80.4 | Confident | 91.1 | Very high | 93 Ų | 93 | 63.2 Ų | 63.2 | 43% | 0.431 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.9 | -40.5 | 179.1 | 179.7 | 96.8 | 0 | 0 | 0 | 112.3 | E64 Y115 L116 A117 | E64-H113 IonicContact OE1-CE1 2.87Å; E64-H113 PolarHBondContact OE1-CE1 3.43Å; E64-H113 IonicContact OE1-CG 3.51Å; E64-H113 IonicContact OE1-ND1 3.64Å; E64-H113 PolarHBondContact OE1-ND1 3.19Å; E64-H113 IonicContact OE2-ND1 3.42Å; H113-Y115 VanDerWaalsContact C-N 3.33Å; H113-Y115 PolarHBondContact O-N 2.92Å; H113-L116 PolarHBondContact O-N 2.86Å; H113-A117 WeakPolarHBondContact O-CB 3.31Å; H113-A117 PolarHBondContact O-N 3.35Å |
| 114 | S | 79.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 53% | 0.531 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 180 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | S112 L118 | S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 3.39Å; S112-S114 PolarHBondContact OG-OG 3.38Å; S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.4Å; S114-L118 PolarHBondContact O-N 3.46Å; S114-L118 VanDerWaalsContact O-N 3.12Å |
| 115 | Y | 83.7 | Confident | 90.9 | Very high | 117 Ų | 117 | 70.5 Ų | 70.5 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 175.6 | 178.9 | -100.2 | 0 | 0 | 0 | 111.7 | S110 S112 H113 A117 L118 L119 | S110-Y115 WeakPolarHBondContact O-CD1 3.45Å; S112-Y115 PolarHBondContact O-N 2.86Å; S112-Y115 WeakPolarHBondContact OG-CB 3.48Å; H113-Y115 VanDerWaalsContact C-N 3.33Å; H113-Y115 PolarHBondContact O-N 2.92Å; Y115-A117 PolarHBondContact O-N 3.36Å; Y115-L118 PolarHBondContact O-N 3.32Å; Y115-L119 HydrophobicContact CE1-CD2 4.41Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 PolarHBondContact O-N 2.88Å |
| 116 | L | 85.9 | Confident | 90.8 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 179.4 | -65.1 | 175.2 | 0 | 0 | 0 | 112 | S112 H113 L119 V120 | S112-L116 PolarHBondContact O-N 2.93Å; S112-L116 VanDerWaalsContact O-N 3.12Å; H113-L116 PolarHBondContact O-N 2.86Å; L116-L119 PolarHBondContact O-N 3.32Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 3.41Å |
| 117 | A | 86.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H113 Y115 T121 | H113-A117 WeakPolarHBondContact O-CB 3.31Å; H113-A117 PolarHBondContact O-N 3.35Å; Y115-A117 PolarHBondContact O-N 3.36Å; A117-T121 WeakPolarHBondContact O-CB 3.28Å; A117-T121 PolarHBondContact O-N 2.94Å; A117-T121 PolarHBondContact O-OG1 3.19Å |
| 118 | L | 89.7 | Confident | 90.6 | Very high | 127 Ų | 127 | 78.6 Ų | 78.6 | 67% | 0.665 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 175.1 | -75.3 | 170.5 | 0 | 0 | 0 | 111.6 | S114 Y115 T121 D122 | S114-L118 VanDerWaalsContact O-CG 3.31Å; S114-L118 WeakPolarHBondContact O-CG 3.4Å; S114-L118 PolarHBondContact O-N 3.46Å; S114-L118 VanDerWaalsContact O-N 3.12Å; Y115-L118 PolarHBondContact O-N 3.32Å; L118-T121 PolarHBondContact O-N 3.12Å; L118-D122 WeakPolarHBondContact O-CB 3.34Å; L118-D122 PolarHBondContact O-N 3Å |
| 119 | L | 89.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 82 Ų | 82 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.9 | -179.5 | 63.1 | 0 | 0 | 0 | 111.7 | Y115 L116 T121 D122 M123 | Y115-L119 HydrophobicContact CE1-CD2 4.41Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 PolarHBondContact O-N 2.88Å; L116-L119 PolarHBondContact O-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.3Å; L119-D122 PolarHBondContact O-N 2.77Å; L119-M123 HydrophobicContact CD1-CE 4.44Å; L119-M123 HydrophobicContact CD1-CG 4.21Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.38Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.38Å; L119-M123 PolarHBondContact O-N 3.26Å |
| 120 | V | 91.9 | Very high | 90.5 | Very high | 79 Ų | 79 | 80.4 Ų | 80.4 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L116 D122 M123 E124 | L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 3.41Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 2.91Å; V120-M123 PolarHBondContact O-N 3.35Å; V120-E124 HydrophobicContact CG1-CG 4.38Å; V120-E124 WeakPolarHBondContact O-CB 3.5Å; V120-E124 WeakPolarHBondContact O-CG 3.43Å; V120-E124 PolarHBondContact O-N 2.94Å |
| 121 | T | 94.9 | Very high | 90.4 | Very high | 83 Ų | 83 | 82.1 Ų | 82.1 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | A117 L118 L119 K125 | A117-T121 WeakPolarHBondContact O-CB 3.28Å; A117-T121 PolarHBondContact O-N 2.94Å; A117-T121 PolarHBondContact O-OG1 3.19Å; L118-T121 PolarHBondContact O-N 3.12Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.3Å; T121-K125 PolarHBondContact O-N 2.98Å; T121-K125 VanDerWaalsContact O-N 3.13Å |
| 122 | D | 95.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 88.4 Ų | 88.4 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 177 | -174 | 68.2 | 0 | 0 | 0 | 111.8 | L118 L119 V120 E124 K125 Q126 | L118-D122 WeakPolarHBondContact O-CB 3.34Å; L118-D122 PolarHBondContact O-N 3Å; L119-D122 PolarHBondContact O-N 2.77Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 2.91Å; D122-E124 PolarHBondContact O-N 3.21Å; D122-K125 WeakPolarHBondContact O-CB 3.24Å; D122-K125 PolarHBondContact O-N 3.02Å; D122-K125 VanDerWaalsContact O-N 3.11Å; D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 2.84Å; D122-Q126 PolarHBondContact OD2-NE2 3.49Å |
| 123 | M | 94.6 | Very high | 89.6 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 42% | 0.419 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.1 | -70.5 | -64.9 | 100.8 | 0 | 0 | 112.4 | L119 V120 K125 Q126 Y127 | L119-M123 HydrophobicContact CD1-CE 4.44Å; L119-M123 HydrophobicContact CD1-CG 4.21Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.38Å; L119-M123 VanDerWaalsContact O-CG 3.24Å; L119-M123 WeakPolarHBondContact O-CG 3.38Å; L119-M123 PolarHBondContact O-N 3.26Å; V120-M123 PolarHBondContact O-N 3.35Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.41Å; M123-Q126 VanDerWaalsContact CE-CD 3.43Å; M123-Q126 HydrophobicContact CE-CG 4.47Å; M123-Q126 VanDerWaalsContact CE-NE2 3.3Å; M123-Q126 VanDerWaalsContact CE-OE1 3.29Å; M123-Q126 PolarHBondContact O-N 3.27Å; M123-Y127 WeakPolarHBondContact O-CB 3.26Å; M123-Y127 PolarHBondContact O-N 3.48Å |
| 124 | E | 95.2 | Very high | 88.8 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.5 | -77.6 | -177.7 | -175.3 | 0 | 0 | 112.2 | V120 D122 R128 | V120-E124 HydrophobicContact CG1-CG 4.38Å; V120-E124 WeakPolarHBondContact O-CB 3.5Å; V120-E124 WeakPolarHBondContact O-CG 3.43Å; V120-E124 PolarHBondContact O-N 2.94Å; D122-E124 PolarHBondContact O-N 3.21Å; E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 3.2Å; E124-R128 IonicContact OE2-NH1 3.52Å |
| 125 | K | 96.1 | Very high | 87.8 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -49.5 | 176.2 | -177.4 | -172.1 | 171.5 | -167.8 | 0 | 110.7 | T121 D122 M123 Y127 R128 D129 | T121-K125 PolarHBondContact O-N 2.98Å; T121-K125 VanDerWaalsContact O-N 3.13Å; D122-K125 WeakPolarHBondContact O-CB 3.24Å; D122-K125 PolarHBondContact O-N 3.02Å; D122-K125 VanDerWaalsContact O-N 3.11Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.41Å; K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.13Å; K125-R128 PolarHBondContact O-N 3.32Å; K125-R128 VanDerWaalsContact O-N 3.1Å; K125-D129 PolarHBondContact O-N 2.78Å |
| 126 | Q | 94.7 | Very high | 86.4 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57 | -41.4 | 177.7 | -68 | -176.1 | 16.7 | 0 | 0 | 111.7 | D122 M123 D129 A130 | D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 2.84Å; D122-Q126 PolarHBondContact OD2-NE2 3.49Å; M123-Q126 VanDerWaalsContact CE-CD 3.43Å; M123-Q126 HydrophobicContact CE-CG 4.47Å; M123-Q126 VanDerWaalsContact CE-NE2 3.3Å; M123-Q126 VanDerWaalsContact CE-OE1 3.29Å; M123-Q126 PolarHBondContact O-N 3.27Å; Q126-D129 PolarHBondContact O-N 3.31Å; Q126-A130 WeakPolarHBondContact O-CB 3.41Å; Q126-A130 PolarHBondContact O-N 3.11Å |
| 127 | Y | 93.7 | Very high | 84.8 | Confident | 152 Ų | 152 | 99.9 Ų | 99.9 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 175.6 | 179 | -106.2 | 0 | 0 | 0 | 112.5 | M123 K125 D129 A130 L131 | M123-Y127 WeakPolarHBondContact O-CB 3.26Å; M123-Y127 PolarHBondContact O-N 3.48Å; K125-Y127 VanDerWaalsContact C-N 3.25Å; K125-Y127 PolarHBondContact O-N 3.13Å; Y127-D129 VanDerWaalsContact C-N 3.32Å; Y127-D129 PolarHBondContact O-N 3.21Å; Y127-A130 PolarHBondContact O-N 3.42Å; Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.39Å; Y127-L131 HydrophobicContact CE1-CG 4.15Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.4Å; Y127-L131 PolarHBondContact O-N 2.93Å |
| 128 | R | 94.8 | Very high | 83.2 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 46% | 0.457 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.4 | -76.3 | -173.5 | -69.1 | -107.4 | -2.7 | 112.6 | E124 K125 Q132 | E124-R128 WeakPolarHBondContact O-CG 3.43Å; E124-R128 PolarHBondContact O-N 3.2Å; E124-R128 IonicContact OE2-NH1 3.52Å; K125-R128 PolarHBondContact O-N 3.32Å; K125-R128 VanDerWaalsContact O-N 3.1Å; R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.92Å; R128-Q132 PolarHBondContact O-NE2 2.89Å; R128-Q132 VanDerWaalsContact O-NE2 3.1Å |
| 129 | D | 93.6 | Very high | 81.5 | Confident | 72 Ų | 72 | 107 Ų | 107 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 179.1 | -67.3 | -15.1 | 0 | 0 | 0 | 110.8 | K125 Q126 Y127 L131 Q132 L133 | K125-D129 PolarHBondContact O-N 2.78Å; Q126-D129 PolarHBondContact O-N 3.31Å; Y127-D129 VanDerWaalsContact C-N 3.32Å; Y127-D129 PolarHBondContact O-N 3.21Å; D129-L131 PolarHBondContact O-N 3.39Å; D129-Q132 PolarHBondContact O-N 2.94Å; D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.1Å; D129-L133 VanDerWaalsContact O-N 3.16Å |
| 130 | A | 92.5 | Very high | 79.8 | Confident | 54 Ų | 54 | 114.3 Ų | 114.3 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q126 Y127 Q132 L133 H134 | Q126-A130 WeakPolarHBondContact O-CB 3.41Å; Q126-A130 PolarHBondContact O-N 3.11Å; Y127-A130 PolarHBondContact O-N 3.42Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.27Å; A130-L133 PolarHBondContact O-N 3.1Å; A130-H134 PolarHBondContact O-N 3.44Å |
| 131 | L | 89 | Confident | 78.2 | Confident | 88 Ų | 88 | 115.3 Ų | 115.3 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -35.2 | 174.8 | -74.9 | 178.9 | 0 | 0 | 0 | 112.8 | Y127 D129 | Y127-L131 HydrophobicContact CD1-CD1 3.99Å; Y127-L131 HydrophobicContact CE1-CD1 3.39Å; Y127-L131 HydrophobicContact CE1-CG 4.15Å; Y127-L131 HydrophobicContact CE2-CD1 4.38Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.4Å; Y127-L131 PolarHBondContact O-N 2.93Å; D129-L131 PolarHBondContact O-N 3.39Å |
| 132 | Q | 84.1 | Confident | 76.5 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.1 | -30 | 177.9 | -73.8 | 171.8 | 70.6 | 0 | 0 | 112.7 | R128 D129 A130 | R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.92Å; R128-Q132 PolarHBondContact O-NE2 2.89Å; R128-Q132 VanDerWaalsContact O-NE2 3.1Å; D129-Q132 PolarHBondContact O-N 2.94Å; A130-Q132 VanDerWaalsContact C-N 3.3Å; A130-Q132 PolarHBondContact O-N 3.27Å |
| 133 | L | 76.3 | Confident | 74.8 | Confident | 136 Ų | 136 | 123.5 Ų | 123.5 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.2 | -19.6 | -178.7 | -70.5 | 166.9 | 0 | 0 | 0 | 113.8 | D129 A130 | D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.1Å; D129-L133 VanDerWaalsContact O-N 3.16Å; A130-L133 PolarHBondContact O-N 3.1Å |
| 134 | H | 62.8 | Low | 73 | Confident | 119 Ų | 119 | 126 Ų | 126 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | trans | -125.7 | 67.7 | 176 | -73 | -79.2 | 0 | 0 | 0 | 114.3 | A130 S136 | A130-H134 PolarHBondContact O-N 3.44Å; H134-S136 PolarHBondContact O-N 3.04Å | ||
| 135 | P | 58 | Low | 71.3 | Confident | 104 Ų | 104 | 125.7 Ų | 125.7 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -18.9 | 174.9 | -15.9 | 29.4 | 0 | 0 | 0 | 113.8 | ||
| 136 | S | 54 | Low | 69.4 | Low | 96 Ų | 96 | 126.1 Ų | 126.1 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -1.5 | -161 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | H134 | H134-S136 PolarHBondContact O-N 3.04Š|
| 137 | Q | 53.9 | Low | 67.2 | Low | 153 Ų | 153 | 129.1 Ų | 129.1 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -92.7 | -9.2 | -179.7 | -69 | -152.6 | -2.7 | 0 | 0 | 115.4 | H139 | Q137-H139 VanDerWaalsContact C-N 3.33Š|
| 138 | L | 51.7 | Low | 64.9 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -3.9 | 177.8 | -66.7 | -178.7 | 0 | 0 | 0 | 114.4 | ||
| 139 | H | 54.3 | Low | 62.4 | Low | 164 Ų | 164 | 129.8 Ų | 129.8 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 61.2 | 175 | -67.4 | -57.4 | 0 | 0 | 0 | 111.3 | Q137 P141 | Q137-H139 VanDerWaalsContact C-N 3.33Å; H139-P141 WeakPolarHBondContact O-CD 3.44Å |
| 140 | R | 54.4 | Low | 60 | Low | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -85.4 | 100.7 | 142.9 | -84.6 | -173.9 | -178.9 | -179.2 | 1.8 | 106.3 | F142 | R140-F142 PolarHBondContact O-N 3.3Å; R140-F142 VanDerWaalsContact O-N 3.17Å | ||
| 141 | P | 58.6 | Low | 57.3 | Low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | trans | -51.9 | 130.2 | 162.9 | 22.7 | -30.3 | 0 | 0 | 0 | 106.4 | H139 T143 | H139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-T143 VanDerWaalsContact C-N 3.26Å; P141-T143 PolarHBondContact O-N 2.82Å; P141-T143 PolarHBondContact O-OG1 3.37Å | ||
| 142 | F | 59.4 | Low | 55.2 | Low | 204 Ų | 204 | 133.8 Ų | 133.8 | 90% | 0.895 | 72% | 0.715 | S | S | * | * | trans | -58.9 | 96.9 | 172.7 | -124.7 | -89.4 | 0 | 0 | 0 | 106.7 | R140 M144 | R140-F142 PolarHBondContact O-N 3.3Å; R140-F142 VanDerWaalsContact O-N 3.17Å; F142-M144 PolarHBondContact O-N 2.96Å | ||
| 143 | T | 59.4 | Low | 52.8 | Low | 122 Ų | 122 | 134.2 Ų | 134.2 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -78.5 | 105.4 | 170.4 | -51.9 | 0 | 0 | 0 | 0 | 105.3 | P141 | P141-T143 VanDerWaalsContact C-N 3.26Å; P141-T143 PolarHBondContact O-N 2.82Å; P141-T143 PolarHBondContact O-OG1 3.37Å | ||
| 144 | M | 57.4 | Low | 50.7 | Low | 139 Ų | 139 | 132.7 Ų | 132.7 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -49.8 | 127.1 | 171 | -81.6 | -73 | -74.5 | 0 | 0 | 108.5 | F142 N146 | F142-M144 PolarHBondContact O-N 2.96Å; M144-N146 PolarHBondContact O-N 3.16Å | ||
| 145 | P | 58.7 | Low | 49.2 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 56% | 0.558 | 74% | 0.736 | S | S | * | * | trans | -59.5 | 119.6 | 172.3 | 22 | -28.7 | 0 | 0 | 0 | 107.5 | F147 | P145-F147 HydrophobicContact CG-CE2 4.35Å; P145-F147 HydrophobicContact CG-CZ 4.49Å; P145-F147 WeakPolarHBondContact O-CD2 3.16Å; P145-F147 PolarHBondContact O-N 3.3Å | ||
| 146 | N | 56.6 | Low | 48.1 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | -66.7 | 105 | -179.5 | -162.6 | 27.1 | 0 | 0 | 0 | 107.5 | M144 H148 | M144-N146 PolarHBondContact O-N 3.16Å; N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-CD2 3.44Å; N146-H148 VanDerWaalsContact O-CD2 3.28Å; N146-H148 PolarHBondContact O-N 3.46Å | ||
| 147 | F | 48.2 | Very low | 47 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 94 | 169.9 | -68.1 | -80.8 | 0 | 0 | 0 | 106.9 | P145 T149 | P145-F147 HydrophobicContact CG-CE2 4.35Å; P145-F147 HydrophobicContact CG-CZ 4.49Å; P145-F147 WeakPolarHBondContact O-CD2 3.16Å; P145-F147 PolarHBondContact O-N 3.3Å; F147-T149 PolarHBondContact O-N 3.2Å | ||
| 148 | H | 45 | Very low | 46.2 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -59.2 | 93 | 169.8 | -62.3 | -82.4 | 0 | 0 | 0 | 108.1 | N146 S150 | N146-H148 VanDerWaalsContact C-N 3.28Å; N146-H148 PolarHBondContact O-CD2 3.44Å; N146-H148 VanDerWaalsContact O-CD2 3.28Å; N146-H148 PolarHBondContact O-N 3.46Å; H148-S150 PolarHBondContact O-N 3.29Å; H148-S150 VanDerWaalsContact O-N 3.13Å | ||
| 149 | T | 42.6 | Very low | 45.3 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -73.9 | 100.6 | 164.6 | -54.1 | 0 | 0 | 0 | 0 | 105 | F147 G151 | F147-T149 PolarHBondContact O-N 3.2Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.91Å | ||
| 150 | S | 42.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -65.8 | 92.1 | 168.4 | 54.4 | 0 | 0 | 0 | 0 | 108.5 | H148 | H148-S150 PolarHBondContact O-N 3.29Å; H148-S150 VanDerWaalsContact O-N 3.13Å | ||
| 151 | G | 37.2 | Very low | 43.4 | Very low | 55 Ų | 55 | 127.4 Ų | 127.4 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | trans | -128.8 | 132.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108 | T149 | T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 2.91Å | ||
| 152 | P | 43.5 | Very low | 42.4 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -78.5 | 147.2 | -169.6 | 31.8 | -32.5 | 0 | 0 | 0 | 112.3 | ||||
| 153 | N | 33.7 | Very low | 41.2 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 85.2 | 109.2 | 157.3 | -63.8 | -11 | 0 | 0 | 0 | 120.1 | ||||
| 154 | S | 32.1 | Very low | 39.9 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | 65.1 | 132.2 | 129.3 | -49.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 155 | V | 33.3 | Very low | 38.9 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | cis | -161 | 150.8 | 45.1 | -83.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 156 | E | 34.2 | Very low | 37.5 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -59.8 | 134.3 | 166.1 | -67.9 | -178.4 | 139 | 0 | 0 | 111.4 | ||||
| 157 | A | 31.6 | Very low | 36.2 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -154.7 | 107.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 158 | G | 36.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -69.6 | 136.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 159 | V | 33.1 | Very low | 34.8 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -142 | 110.4 | 163.8 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 160 | S | 33.9 | Very low | 34.2 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 5.1 | 122.6 | 144.4 | -157.4 | 0 | 0 | 0 | 0 | 118.2 | Q162 | S160-Q162 PolarHBondContact O-N 3.41Š| ||
| 161 | N | 34.2 | Very low | 33.9 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 109.7 | 163.5 | -81.7 | -26.7 | 0 | 0 | 0 | 110 | ||||
| 162 | Q | 37.1 | Very low | 33.5 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -106.5 | 126 | 159 | -81.7 | -171.2 | 35 | 0 | 0 | 110.7 | S160 | S160-Q162 PolarHBondContact O-N 3.41Š| ||
| 163 | M | 34.9 | Very low | 33 | Very low | 167 Ų | 167 | 139 Ų | 139 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | trans | -61.4 | 126.9 | 174.3 | -172.9 | 157.9 | 89.5 | 0 | 0 | 111 | ||||
| 164 | L | 32.2 | Very low | 33.2 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -132.5 | 120.3 | 162.4 | -76.3 | 172.6 | 0 | 0 | 0 | 110.4 | ||||
| 165 | Q | 35.8 | Very low | 33.3 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 73% | 0.729 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 160.2 | 179 | -70.4 | -161.2 | -16.9 | 0 | 0 | 112.6 | ||
| 166 | P | 30.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 134.8 | 179.3 | 31.6 | -32.1 | 0 | 0 | 0 | 111.4 | ||
| 167 | S | 29.2 | Very low | 33.8 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 128.9 | 166.6 | -19.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 168 | N | 31.8 | Very low | 34.1 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86 | 166.3 | 174.4 | -80.7 | -37.9 | 0 | 0 | 0 | 112.2 | ||
| 169 | I | 32.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | 74.5 | 138.3 | 158.7 | -10 | 171.3 | 0 | 0 | 0 | 115 | ||||
| 170 | S | 29.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | cis | -162.6 | 166.8 | 23.6 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 171 | A | 36.1 | Very low | 35 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -61 | 149 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 172 | A | 29 | Very low | 35.4 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -161.5 | 129.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 173 | R | 32.4 | Very low | 35.6 | Very low | 242 Ų | 242 | 155.7 Ų | 155.7 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | 73 | 124.4 | 145.9 | -71.1 | -176.5 | 175.1 | 168.4 | 0.1 | 122.1 | ||||
| 174 | A | 37.9 | Very low | 35.8 | Very low | 94 Ų | 94 | 153.8 Ų | 153.8 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -67.7 | 138.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 175 | F | 34.2 | Very low | 36.3 | Very low | 193 Ų | 193 | 154.8 Ų | 154.8 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -133.9 | 120.7 | 152.2 | -86 | -80.3 | 0 | 0 | 0 | 109.4 | K177 | F175-K177 PolarHBondContact O-N 3.21Š| ||
| 176 | S | 41.7 | Very low | 36.4 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -68.3 | 110.4 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 177 | K | 35.3 | Very low | 36.7 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | -139.8 | 127.9 | 160.5 | -67.6 | -171.6 | 180 | 174.4 | 0 | 110.5 | F175 | F175-K177 PolarHBondContact O-N 3.21Š| ||
| 178 | K | 38.5 | Very low | 37.3 | Very low | 210 Ų | 210 | 156.2 Ų | 156.2 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.9 | -164 | -64.1 | 158.4 | 178.4 | 176.5 | 0 | 112.9 | ||
| 179 | S | 41.3 | Very low | 37.7 | Very low | 107 Ų | 107 | 156.5 Ų | 156.5 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135.1 | 167.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | R181 | S179-R181 PolarHBondContact O-N 3.35Š|
| 180 | P | 38.6 | Very low | 38.3 | Very low | 137 Ų | 137 | 156 Ų | 156 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 119.9 | 168.2 | -11.3 | 27.2 | 0 | 0 | 0 | 109.6 | ||
| 181 | R | 42.8 | Very low | 38.6 | Very low | 226 Ų | 226 | 155.5 Ų | 155.5 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 140.1 | 176 | -104.6 | -168.9 | -172.5 | -164.2 | 3.5 | 110.7 | S179 | S179-R181 PolarHBondContact O-N 3.35Š|
| 182 | L | 41.5 | Very low | 38.8 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 84.7 | 112.2 | 151.9 | -58 | 165.3 | 0 | 0 | 0 | 118.8 | ||||
| 183 | R | 42.7 | Very low | 39.1 | Very low | 242 Ų | 242 | 157.9 Ų | 157.9 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -79.9 | 143.6 | 154.3 | -68.7 | -174.3 | 180 | 172.4 | 0.4 | 109.4 | K185 | R183-K185 PolarHBondContact O-N 3.5Š| ||
| 184 | P | 39.1 | Very low | 39.6 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 131.1 | 173.3 | -16.1 | 29.3 | 0 | 0 | 0 | 111.6 | K186 | P184-K186 PolarHBondContact O-N 3.42Š| ||
| 185 | K | 42.3 | Very low | 39.6 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 108 | 172.1 | -172.9 | 170.1 | 178.7 | 173.4 | 0 | 108.9 | R183 | R183-K185 PolarHBondContact O-N 3.5Š| ||
| 186 | K | 36.8 | Very low | 39.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -99.3 | 118.5 | 168.3 | -169 | 168.7 | 177.5 | 176.1 | 0 | 108.2 | P184 S188 | P184-K186 PolarHBondContact O-N 3.42Å; K186-S188 PolarHBondContact O-N 2.97Å | ||
| 187 | N | 37.8 | Very low | 39.8 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 120.5 | 177.6 | -71.2 | -3.7 | 0 | 0 | 0 | 110.5 | N189 | N187-N189 PolarHBondContact O-N 3.2Š| ||
| 188 | S | 41.7 | Very low | 39.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -85.2 | 102.6 | 164.4 | 54.8 | 0 | 0 | 0 | 0 | 108.3 | K186 L190 | K186-S188 PolarHBondContact O-N 2.97Å; S188-L190 PolarHBondContact O-N 2.95Å | ||
| 189 | N | 40.5 | Very low | 40 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -74 | 99.2 | 162 | -67.9 | -43.1 | 0 | 0 | 0 | 107.4 | N187 | N187-N189 PolarHBondContact O-N 3.2Š| ||
| 190 | L | 45.4 | Very low | 40.2 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -102.8 | 133.8 | 163.7 | -71.1 | 172.5 | 0 | 0 | 0 | 107.9 | S188 | S188-L190 PolarHBondContact O-N 2.95Š| ||
| 191 | P | 36.3 | Very low | 40.4 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | trans | -69.3 | 152.5 | 175.6 | 30.5 | -32.5 | 0 | 0 | 0 | 110.3 | V193 | P191-V193 PolarHBondContact O-N 3.44Š| ||
| 192 | P | 38.8 | Very low | 40 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 115.2 | 177.9 | 29.2 | -30.5 | 0 | 0 | 0 | 109 | S194 | P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 2.98Å | ||
| 193 | V | 36.2 | Very low | 39.9 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -77.1 | 87.8 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | P191 T195 | P191-V193 PolarHBondContact O-N 3.44Å; V193-T195 VanDerWaalsContact CG1-OG1 3.26Å; V193-T195 WeakPolarHBondContact CG1-OG1 3.47Å | ||
| 194 | S | 42.9 | Very low | 39.9 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -88.5 | 93.7 | 158.3 | -58.9 | 0 | 0 | 0 | 0 | 107.7 | P192 | P192-S194 VanDerWaalsContact C-N 3.29Å; P192-S194 PolarHBondContact O-N 2.98Å | ||
| 195 | T | 36.4 | Very low | 40 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -136.4 | 134.3 | 161.8 | 22.6 | 0 | 0 | 0 | 0 | 109.1 | V193 | V193-T195 VanDerWaalsContact CG1-OG1 3.26Å; V193-T195 WeakPolarHBondContact CG1-OG1 3.47Å | ||
| 196 | P | 40.5 | Very low | 39.6 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.6 | -176.1 | 28.3 | -32.3 | 0 | 0 | 0 | 111 | L198 | P196-L198 PolarHBondContact O-N 3.4Š|
| 197 | A | 40.6 | Very low | 39.8 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 198 | L | 38.2 | Very low | 40.2 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.4 | 169.8 | -73.3 | -173.6 | 0 | 0 | 0 | 110.1 | P196 | P196-L198 PolarHBondContact O-N 3.4Š|
| 199 | L | 40.3 | Very low | 40.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.7 | -177.1 | -76.3 | 171.2 | 0 | 0 | 0 | 112.5 | L201 | L199-L201 PolarHBondContact O-N 3.32Š|
| 200 | M | 45.3 | Very low | 41.3 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 50.5 | 179.2 | -166.3 | -175.9 | 164.8 | 0 | 0 | 112.9 | ||
| 201 | L | 42.7 | Very low | 41.6 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 2.4 | 178.3 | -102.6 | 156.8 | 0 | 0 | 0 | 114.3 | L199 | L199-L201 PolarHBondContact O-N 3.32Š|
| 202 | E | 33.7 | Very low | 42.4 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -111.3 | 11 | 174.1 | -80.8 | -174.6 | 155.1 | 0 | 0 | 114.3 | S204 | E202-S204 PolarHBondContact O-N 3.31Š|
| 203 | Y | 39 | Very low | 43.9 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 73% | 0.725 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 18.1 | -177.8 | -81.6 | -78.5 | 0 | 0 | 0 | 115.5 | ||
| 204 | S | 42.8 | Very low | 45.2 | Very low | 133 Ų | 133 | 130 Ų | 130 | 93% | 0.93 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 7.5 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | E202 | E202-S204 PolarHBondContact O-N 3.31Š|
| 205 | G | 40.9 | Very low | 46.7 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -114.2 | -9.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 206 | L | 35.1 | Very low | 48.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | trans | -111.9 | 84.9 | -175.1 | -61.2 | -179 | 0 | 0 | 0 | 110.3 | L208 | L206-L208 PolarHBondContact O-N 3.39Š| ||
| 207 | S | 40.3 | Very low | 50.6 | Low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -59.1 | 94.7 | 154.9 | -174 | 0 | 0 | 0 | 0 | 107.3 | E209 | S207-E209 PolarHBondContact O-N 3.45Š| ||
| 208 | L | 45.8 | Very low | 52.4 | Low | 127 Ų | 127 | 129.7 Ų | 129.7 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | trans | -65.1 | 103.2 | 169.5 | -102 | 105.6 | 0 | 0 | 0 | 107.7 | L206 P210 | L206-L208 PolarHBondContact O-N 3.39Å; L208-P210 VanDerWaalsContact O-CD 3.26Å; L208-P210 WeakPolarHBondContact O-CD 3.26Å | ||
| 209 | E | 47.1 | Very low | 54.6 | Low | 118 Ų | 118 | 127.9 Ų | 127.9 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | trans | -83.8 | 104.4 | 156.5 | -87.3 | -66 | 136.8 | 0 | 0 | 107.6 | S207 Q211 | S207-E209 PolarHBondContact O-N 3.45Å; E209-Q211 PolarHBondContact O-N 3.26Å; E209-Q211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | P | 58.2 | Low | 56.4 | Low | 93 Ų | 93 | 124.7 Ų | 124.7 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.8 | -14 | -169.6 | -20.9 | 35.5 | 0 | 0 | 0 | 114.4 | L208 | L208-P210 VanDerWaalsContact O-CD 3.26Å; L208-P210 WeakPolarHBondContact O-CD 3.26Å |
| 211 | Q | 51.4 | Low | 57.9 | Low | 147 Ų | 147 | 123.4 Ų | 123.4 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -87.9 | -28.9 | -169.3 | -166.4 | 164.3 | -21.7 | 0 | 0 | 113.4 | E209 S215 | E209-Q211 PolarHBondContact O-N 3.26Å; E209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-S215 PolarHBondContact O-N 3.45Å; Q211-S215 PolarHBondContact O-OG 2.94Å |
| 212 | E | 53.6 | Low | 59.9 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.9 | -36.3 | 177.7 | -60.8 | -168.8 | 157.3 | 0 | 0 | 111.3 | S215 K216 | E212-S215 PolarHBondContact O-N 2.86Å; E212-K216 WeakPolarHBondContact O-CB 3.45Å; E212-K216 PolarHBondContact O-N 3.25Å; E212-K216 VanDerWaalsContact O-N 3.1Å |
| 213 | D | 69.8 | Low | 62.5 | Low | 90 Ų | 90 | 114.1 Ų | 114.1 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -41.4 | 179.1 | -87.2 | -14.3 | 0 | 0 | 0 | 113 | M217 | D213-M217 WeakPolarHBondContact O-CB 3.31Å; D213-M217 PolarHBondContact O-N 3.35Å |
| 214 | F | 65.2 | Low | 64.4 | Low | 137 Ų | 137 | 112 Ų | 112 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.2 | -40.2 | 177.4 | -173.9 | -95.6 | 0 | 0 | 0 | 111.9 | K216 M217 H218 | F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.97Å; F214-M217 PolarHBondContact O-N 3.35Å; F214-H218 HydrophobicContact CE1-CB 4.43Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.38Å; F214-H218 PolarHBondContact O-N 2.99Å |
| 215 | S | 73.8 | Confident | 66.2 | Low | 70 Ų | 70 | 109.9 Ų | 109.9 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -44.1 | 179.7 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | Q211 E212 H218 E219 | Q211-S215 PolarHBondContact O-N 3.45Å; Q211-S215 PolarHBondContact O-OG 2.94Å; E212-S215 PolarHBondContact O-N 2.86Å; S215-H218 PolarHBondContact O-N 3.35Å; S215-E219 WeakPolarHBondContact O-CB 3.49Å; S215-E219 PolarHBondContact O-N 2.83Å |
| 216 | K | 78.7 | Confident | 68.3 | Low | 139 Ų | 139 | 113.3 Ų | 113.3 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.7 | -44.6 | 177 | -169.6 | 178.2 | 178.8 | -173.3 | 0 | 112.1 | E212 F214 E219 D220 | E212-K216 WeakPolarHBondContact O-CB 3.45Å; E212-K216 PolarHBondContact O-N 3.25Å; E212-K216 VanDerWaalsContact O-N 3.1Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.97Å; K216-E219 PolarHBondContact O-N 3.38Å; K216-D220 PolarHBondContact O-N 2.9Å |
| 217 | M | 79.3 | Confident | 70.7 | Confident | 101 Ų | 101 | 114 Ų | 114 | 50% | 0.498 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -45.3 | 173.6 | -82.7 | -165.7 | -77 | 0 | 0 | 112 | D213 F214 E219 D220 F221 | D213-M217 WeakPolarHBondContact O-CB 3.31Å; D213-M217 PolarHBondContact O-N 3.35Å; F214-M217 PolarHBondContact O-N 3.35Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.02Å; M217-D220 PolarHBondContact O-N 3.49Å; M217-F221 HydrophobicContact CB-CD2 4.28Å; M217-F221 HydrophobicContact CB-CE2 4.41Å; M217-F221 HydrophobicContact CG-CE2 4.31Å; M217-F221 WeakPolarHBondContact O-CD2 3.25Å; M217-F221 PolarHBondContact O-N 3.1Å |
| 218 | H | 78.1 | Confident | 72.6 | Confident | 128 Ų | 128 | 113.3 Ų | 113.3 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -36.8 | -179.6 | -166.8 | 75.3 | 0 | 0 | 0 | 111.9 | F214 S215 G222 | F214-H218 HydrophobicContact CE1-CB 4.43Å; F214-H218 VanDerWaalsContact O-CB 3.31Å; F214-H218 WeakPolarHBondContact O-CB 3.38Å; F214-H218 PolarHBondContact O-N 2.99Å; S215-H218 PolarHBondContact O-N 3.35Å; H218-G222 VanDerWaalsContact O-CA 3.25Å; H218-G222 WeakPolarHBondContact O-CA 3.31Å; H218-G222 PolarHBondContact O-N 3.45Å |
| 219 | E | 84.6 | Confident | 74.3 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 54% | 0.537 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70 | -43.6 | 175.2 | -173.5 | 148.1 | -139 | 0 | 0 | 112.4 | S215 K216 M217 G222 K223 | S215-E219 WeakPolarHBondContact O-CB 3.49Å; S215-E219 PolarHBondContact O-N 2.83Å; K216-E219 PolarHBondContact O-N 3.38Å; M217-E219 VanDerWaalsContact C-N 3.26Å; M217-E219 PolarHBondContact O-N 3.02Å; E219-G222 PolarHBondContact O-N 3.41Å; E219-K223 VanDerWaalsContact O-CG 3.27Å; E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 2.77Å |
| 220 | D | 78.3 | Confident | 76.1 | Confident | 85 Ų | 85 | 108.5 Ų | 108.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | -179.6 | -75.9 | -22.2 | 0 | 0 | 0 | 112.6 | K216 M217 K223 | K216-D220 PolarHBondContact O-N 2.9Å; M217-D220 PolarHBondContact O-N 3.49Å; D220-K223 IonicContact OD1-NZ 2.83Å; D220-K223 PolarHBondContact OD1-NZ 3.16Å |
| 221 | F | 77.3 | Confident | 77.2 | Confident | 149 Ų | 149 | 106.6 Ų | 106.6 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -78.1 | -25.7 | 176.8 | -66.8 | -70.2 | 0 | 0 | 0 | 112.8 | M217 K223 | M217-F221 HydrophobicContact CB-CD2 4.28Å; M217-F221 HydrophobicContact CB-CE2 4.41Å; M217-F221 HydrophobicContact CG-CE2 4.31Å; M217-F221 WeakPolarHBondContact O-CD2 3.25Å; M217-F221 PolarHBondContact O-N 3.1Å; F221-K223 VanDerWaalsContact C-N 3.32Å; F221-K223 PolarHBondContact O-N 3.22Å |
| 222 | G | 85.7 | Confident | 78.4 | Confident | 15 Ų | 15 | 107.8 Ų | 107.8 | 16% | 0.155 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -72 | -21.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H218 E219 E224 V225 K226 | H218-G222 VanDerWaalsContact O-CA 3.25Å; H218-G222 WeakPolarHBondContact O-CA 3.31Å; H218-G222 PolarHBondContact O-N 3.45Å; E219-G222 PolarHBondContact O-N 3.41Å; G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.29Å; G222-V225 PolarHBondContact O-N 3.49Å; G222-K226 WeakPolarHBondContact O-CG 3.5Å; G222-K226 PolarHBondContact O-N 3.43Å |
| 223 | K | 87.9 | Confident | 79.5 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 176.6 | -76.2 | 158.2 | -168.1 | 169.1 | 0 | 112.3 | E219 D220 F221 K226 K227 | E219-K223 VanDerWaalsContact O-CG 3.27Å; E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 2.77Å; D220-K223 IonicContact OD1-NZ 2.83Å; D220-K223 PolarHBondContact OD1-NZ 3.16Å; F221-K223 VanDerWaalsContact C-N 3.32Å; F221-K223 PolarHBondContact O-N 3.22Å; K223-K226 PolarHBondContact O-N 3.48Å; K223-K227 WeakPolarHBondContact O-CB 3.17Å; K223-K227 PolarHBondContact O-N 3.27Å |
| 224 | E | 78.8 | Confident | 79.7 | Confident | 141 Ų | 141 | 108.3 Ų | 108.3 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | -180 | -170 | 174 | -176.5 | 0 | 0 | 111.4 | G222 K227 L228 | G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.29Å; E224-K227 PolarHBondContact O-N 3.17Å; E224-L228 PolarHBondContact O-N 3.15Å |
| 225 | V | 80.4 | Confident | 80.1 | Confident | 89 Ų | 89 | 111.9 Ų | 111.9 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | G222 K227 L228 I229 | G222-V225 PolarHBondContact O-N 3.49Å; V225-K227 VanDerWaalsContact C-N 3.31Å; V225-K227 PolarHBondContact O-N 3.06Å; V225-L228 WeakPolarHBondContact O-CB 3.27Å; V225-L228 PolarHBondContact O-N 3.1Å; V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.48Å; V225-I229 PolarHBondContact O-N 3.42Å |
| 226 | K | 84.3 | Confident | 79.6 | Confident | 138 Ų | 138 | 117.9 Ų | 117.9 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -40.9 | 176.9 | -72.5 | 174.9 | -177.9 | 175.6 | 0 | 111.8 | G222 K223 I229 A230 | G222-K226 WeakPolarHBondContact O-CG 3.5Å; G222-K226 PolarHBondContact O-N 3.43Å; K223-K226 PolarHBondContact O-N 3.48Å; K226-I229 PolarHBondContact O-N 3.36Å; K226-A230 PolarHBondContact O-N 3.49Å |
| 227 | K | 85.6 | Confident | 78.6 | Confident | 142 Ų | 142 | 114.8 Ų | 114.8 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -42.2 | 176.3 | -170.7 | 179.3 | 178.7 | -177.5 | 0 | 111.7 | K223 E224 V225 I229 A230 D231 | K223-K227 WeakPolarHBondContact O-CB 3.17Å; K223-K227 PolarHBondContact O-N 3.27Å; E224-K227 PolarHBondContact O-N 3.17Å; V225-K227 VanDerWaalsContact C-N 3.31Å; V225-K227 PolarHBondContact O-N 3.06Å; K227-I229 PolarHBondContact O-N 3.06Å; K227-A230 PolarHBondContact O-N 2.95Å; K227-D231 WeakPolarHBondContact O-CB 3.42Å; K227-D231 PolarHBondContact O-N 3.38Å |
| 228 | L | 81.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 112.7 Ų | 112.7 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -42.4 | 176.6 | -123.4 | 107.2 | 0 | 0 | 0 | 112.1 | E224 V225 D231 W232 | E224-L228 PolarHBondContact O-N 3.15Å; V225-L228 WeakPolarHBondContact O-CB 3.27Å; V225-L228 PolarHBondContact O-N 3.1Å; L228-D231 PolarHBondContact O-N 2.94Å; L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 2.69Å |
| 229 | I | 80.6 | Confident | 75.6 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 55% | 0.554 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -45.3 | 176.1 | -68.4 | 167 | 0 | 0 | 0 | 110.3 | V225 K226 K227 D231 W232 S233 | V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 VanDerWaalsContact O-CG1 3.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.48Å; V225-I229 PolarHBondContact O-N 3.42Å; K226-I229 PolarHBondContact O-N 3.36Å; K227-I229 PolarHBondContact O-N 3.06Å; I229-D231 VanDerWaalsContact C-N 3.35Å; I229-D231 PolarHBondContact O-N 3.32Å; I229-W232 PolarHBondContact O-N 2.89Å; I229-S233 PolarHBondContact O-N 3.34Å |
| 230 | A | 84.3 | Confident | 73.4 | Confident | 36 Ų | 36 | 117.6 Ų | 117.6 | 30% | 0.298 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K226 K227 S233 R234 | K226-A230 PolarHBondContact O-N 3.49Å; K227-A230 PolarHBondContact O-N 2.95Å; A230-S233 PolarHBondContact O-N 3.48Å; A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.01Å |
| 231 | D | 82.6 | Confident | 71.9 | Confident | 54 Ų | 54 | 118.4 Ų | 118.4 | 29% | 0.289 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67 | -37.7 | 176.7 | -75.9 | -16.6 | 0 | 0 | 0 | 112.2 | K227 L228 I229 R234 R235 | K227-D231 WeakPolarHBondContact O-CB 3.42Å; K227-D231 PolarHBondContact O-N 3.38Å; L228-D231 PolarHBondContact O-N 2.94Å; I229-D231 VanDerWaalsContact C-N 3.35Å; I229-D231 PolarHBondContact O-N 3.32Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.72Å; D231-R234 IonicContact OD1-NH2 3.53Å; D231-R234 PolarHBondContact OD1-NH2 2.89Å; D231-R235 VanDerWaalsContact O-CG 3.27Å; D231-R235 WeakPolarHBondContact O-CG 3.38Å; D231-R235 PolarHBondContact O-N 2.97Å |
| 232 | W | 75.8 | Confident | 69.9 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.1 | -42.5 | 172.7 | -91.3 | 41 | 0 | 0 | 0 | 112.4 | L228 I229 R235 R236 | L228-W232 WeakPolarHBondContact O-CB 3.27Å; L228-W232 PolarHBondContact O-N 2.69Å; I229-W232 PolarHBondContact O-N 2.89Å; W232-R235 PolarHBondContact O-N 2.72Å; W232-R236 PolarHBondContact O-N 3.06Å; W232-R236 VanDerWaalsContact O-N 3.1Å |
| 233 | S | 76.4 | Confident | 67.7 | Low | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.1 | -43.2 | 175.2 | -102 | 0 | 0 | 0 | 0 | 112 | I229 A230 R235 R236 G237 | I229-S233 PolarHBondContact O-N 3.34Å; A230-S233 PolarHBondContact O-N 3.48Å; S233-R235 VanDerWaalsContact C-N 3.32Å; S233-R235 PolarHBondContact O-N 2.99Å; S233-R236 PolarHBondContact O-N 2.77Å; S233-R236 VanDerWaalsContact O-N 3.15Å; S233-G237 PolarHBondContact O-N 3.28Å |
| 234 | R | 75.1 | Confident | 65.8 | Low | 167 Ų | 167 | 126 Ų | 126 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.6 | -37.5 | 176.8 | -80.9 | -169.3 | -78 | -105.7 | 2.4 | 112.9 | A230 D231 R236 | A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.01Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.72Å; D231-R234 IonicContact OD1-NH2 3.53Å; D231-R234 PolarHBondContact OD1-NH2 2.89Å; R234-R236 VanDerWaalsContact C-N 3.29Å |
| 235 | R | 73.1 | Confident | 64.1 | Low | 213 Ų | 213 | 127.5 Ų | 127.5 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.5 | -24.4 | 176.4 | -72.6 | 172.1 | -174.5 | -116.4 | 2.1 | 113.1 | D231 W232 S233 | D231-R235 VanDerWaalsContact O-CG 3.27Å; D231-R235 WeakPolarHBondContact O-CG 3.38Å; D231-R235 PolarHBondContact O-N 2.97Å; W232-R235 PolarHBondContact O-N 2.72Å; S233-R235 VanDerWaalsContact C-N 3.32Å; S233-R235 PolarHBondContact O-N 2.99Å |
| 236 | R | 63.7 | Low | 62.6 | Low | 196 Ų | 196 | 128.3 Ų | 128.3 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.3 | -24.8 | 178.2 | -162.5 | -178.6 | -71.2 | -171.9 | -2.6 | 112.8 | W232 S233 R234 G238 | W232-R236 PolarHBondContact O-N 3.06Å; W232-R236 VanDerWaalsContact O-N 3.1Å; S233-R236 PolarHBondContact O-N 2.77Å; S233-R236 VanDerWaalsContact O-N 3.15Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R236-G238 PolarHBondContact O-N 2.93Å |
| 237 | G | 58.3 | Low | 60.8 | Low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 21.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S233 | S233-G237 PolarHBondContact O-N 3.28Š|
| 238 | G | 49.9 | Very low | 59 | Low | 58 Ų | 58 | 129 Ų | 129 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -1.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R236 | R236-G238 PolarHBondContact O-N 2.93Š|
| 239 | D | 43 | Very low | 57.3 | Low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | -139.7 | 128 | 173.4 | -75.8 | -42.1 | 0 | 0 | 0 | 109.4 | ||||
| 240 | E | 38.4 | Very low | 55.4 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -122.3 | 162.2 | 172.5 | -134.3 | -107.3 | 147.5 | 0 | 0 | 107.2 | ||||
| 241 | P | 47.9 | Very low | 53.2 | Low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | -108.7 | 151.2 | -62.2 | 34.9 | -23.2 | 0 | 0 | 0 | 110.5 | |||||
| 242 | A | 35.5 | Very low | 51.7 | Low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -119.2 | 110.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | E244 | A242-E244 PolarHBondContact O-N 3.07Š| ||
| 243 | L | 38.3 | Very low | 50.4 | Low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -18.8 | 119.8 | 164.8 | -77.7 | 147 | 0 | 0 | 0 | 114.7 | E245 | L243-E245 PolarHBondContact O-N 2.92Š| ||
| 244 | E | 47.7 | Very low | 49 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 27.4 | 92.6 | 120.3 | -162.2 | 171.3 | -144.9 | 0 | 0 | 116 | A242 | A242-E244 PolarHBondContact O-N 3.07Š| |||
| 245 | E | 42.9 | Very low | 47.5 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -134 | 105.2 | 140.6 | -75.6 | -166 | 166.7 | 0 | 0 | 109 | L243 L247 | L243-E245 PolarHBondContact O-N 2.92Å; E245-L247 PolarHBondContact O-N 3.13Å | ||
| 246 | S | 49.6 | Very low | 45.9 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -57.2 | 119.4 | 164.5 | -177.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 247 | L | 47.7 | Very low | 44.7 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -120.6 | 58.5 | 172.6 | -116.6 | 143.8 | 0 | 0 | 0 | 109.9 | E245 | E245-L247 PolarHBondContact O-N 3.13Š| ||
| 248 | I | 46.8 | Very low | 43.7 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | trans | -130.4 | 93.5 | 150.2 | -47.5 | 174.5 | 0 | 0 | 0 | 106.1 | L250 | I248-L250 HydrophobicContact CG2-CD1 4.25Å; I248-L250 HydrophobicContact CG2-CG 4.23Å | ||
| 249 | D | 44.7 | Very low | 43.2 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 85% | 0.852 | S | S | * | * | trans | -90 | 107.8 | 165.6 | -172 | 16.9 | 0 | 0 | 0 | 107.6 | ||||
| 250 | L | 41 | Very low | 43.2 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 81% | 0.812 | 85% | 0.849 | S | S | * | * | trans | -133.2 | 104.6 | 163.3 | -69.7 | 175.4 | 0 | 0 | 0 | 104.8 | I248 | I248-L250 HydrophobicContact CG2-CD1 4.25Å; I248-L250 HydrophobicContact CG2-CG 4.23Å | ||
| 251 | G | 38.3 | Very low | 43.7 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 100% | 1.495 | 85% | 0.849 | S | S | * | * | trans | -59.1 | 0 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 |
Retrieved 251 of 251 residues in 158.7 ms
(Link to these results)