| 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 | 41.8 | Very low | 65.3 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 100% | 1 | 66% | 0.656 | S | S | * | * | 0 | 98.5 | 0 | -79.9 | 153.1 | 58.5 | 0 | 0 | 108.8 | Y3 | M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 HydrophobicContact CE-CE2 4.08Å | |||
| 2 | K | 59.8 | Low | 65.6 | Low | 187 Ų | 187 | 128.9 Ų | 128.9 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | trans | -120.3 | 104.2 | 166.2 | -70.3 | -172.5 | 179.1 | -176.7 | 0 | 105.3 | E4 | K2-E4 PolarHBondContact O-N 3.07Š| ||
| 3 | Y | 62.2 | Low | 65.5 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 74% | 0.737 | 64% | 0.644 | S | S | * | * | trans | -74.8 | 84.6 | 175.6 | -67.3 | -84.7 | 0 | 0 | 0 | 107.1 | M1 V5 | M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 HydrophobicContact CE-CE2 4.08Å; Y3-V5 PolarHBondContact O-N 3.31Å | ||
| 4 | E | 63.8 | Low | 65.5 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | trans | -71.4 | 79.4 | 163 | -60.2 | -62.6 | 158.1 | 0 | 0 | 106.1 | K2 P6 | K2-E4 PolarHBondContact O-N 3.07Å; E4-P6 WeakPolarHBondContact O-CD 3.23Å; E4-P6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | V | 66.8 | Low | 65.4 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | trans | -63.6 | 112.2 | 167.2 | 176.9 | 0 | 0 | 0 | 0 | 105.2 | Y3 L7 L9 | Y3-V5 PolarHBondContact O-N 3.31Å; V5-L7 PolarHBondContact O-N 2.95Å; V5-L9 HydrophobicContact CG1-CB 3.94Å; V5-L9 HydrophobicContact CG1-CD2 3.97Å | ||
| 6 | P | 71.8 | Confident | 65.3 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | trans | -60.7 | 138.7 | -172.6 | -19.6 | 31.4 | 0 | 0 | 0 | 109 | E4 L8 L9 | E4-P6 WeakPolarHBondContact O-CD 3.23Å; E4-P6 VanDerWaalsContact O-N 3.11Å; P6-L8 PolarHBondContact O-N 3.02Å; P6-L9 WeakPolarHBondContact O-CA 3.23Å; P6-L9 WeakPolarHBondContact O-CB 3.29Å; P6-L9 PolarHBondContact O-N 3.42Å | ||
| 7 | L | 72 | Confident | 65.2 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -47 | -32.5 | 176.4 | -175.8 | 67.7 | 0 | 0 | 0 | 112.5 | V5 L9 L10 L11 | V5-L7 PolarHBondContact O-N 2.95Å; L7-L9 PolarHBondContact O-N 3.02Å; L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-L11 HydrophobicContact CG-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.97Å |
| 8 | L | 71.4 | Confident | 65 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.7 | -39.7 | 173.8 | -171.4 | 67.4 | 0 | 0 | 0 | 113.4 | P6 L11 L12 | P6-L8 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.39Å |
| 9 | L | 70.3 | Confident | 64.7 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.8 | -36 | 178.6 | -140.1 | 98 | 0 | 0 | 0 | 111.6 | V5 P6 L7 L12 F13 | V5-L9 HydrophobicContact CG1-CB 3.94Å; V5-L9 HydrophobicContact CG1-CD2 3.97Å; P6-L9 WeakPolarHBondContact O-CA 3.23Å; P6-L9 WeakPolarHBondContact O-CB 3.29Å; P6-L9 PolarHBondContact O-N 3.42Å; L7-L9 PolarHBondContact O-N 3.02Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-F13 PolarHBondContact O-N 3.35Å |
| 10 | L | 68.4 | Low | 64.5 | Low | 108 Ų | 108 | 122.5 Ų | 122.5 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.9 | -41.2 | 172.5 | -89.3 | 151.5 | 0 | 0 | 0 | 111.7 | L7 F13 S14 | L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-F13 PolarHBondContact O-N 2.96Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 3.33Å |
| 11 | L | 70.1 | Confident | 64.4 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -35.5 | 174.7 | -69 | 169.4 | 0 | 0 | 0 | 112.5 | L7 L8 S14 T15 | L7-L11 HydrophobicContact CG-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-OG 2.8Å; L11-T15 WeakPolarHBondContact O-CG2 3.28Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 VanDerWaalsContact O-N 3.16Å; L11-T15 PolarHBondContact O-OG1 2.8Å; L11-T15 VanDerWaalsContact O-OG1 3.06Å |
| 12 | L | 68.5 | Low | 65.4 | Low | 93 Ų | 93 | 117.9 Ų | 117.9 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 174 | -72.3 | 166.8 | 0 | 0 | 0 | 111.7 | L8 L9 T15 I16 | L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.28Å; L12-T15 WeakPolarHBondContact CA-OG1 3.08Å; L12-T15 PolarHBondContact O-OG1 3.1Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.06Å; L12-I16 PolarHBondContact O-N 3.25Å; L12-I16 VanDerWaalsContact O-N 3.14Å |
| 13 | F | 64.9 | Low | 65.9 | Low | 153 Ų | 153 | 117.1 Ų | 117.1 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -38.3 | 178 | -144.3 | -95.2 | 0 | 0 | 0 | 112.5 | L9 L10 I16 T17 | L9-F13 PolarHBondContact O-N 3.35Å; L10-F13 PolarHBondContact O-N 2.96Å; F13-I16 PolarHBondContact O-N 2.77Å; F13-T17 PolarHBondContact O-N 2.66Å; F13-T17 PolarHBondContact O-OG1 2.89Å |
| 14 | S | 64.7 | Low | 67 | Low | 60 Ų | 60 | 114.3 Ų | 114.3 | 42% | 0.42 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 177 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | L10 L11 T17 A18 | L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 3.33Å; L11-S14 PolarHBondContact O-OG 2.8Å; S14-T17 PolarHBondContact O-N 3.26Å; S14-T17 PolarHBondContact O-OG1 2.86Å; S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.16Å |
| 15 | T | 63.9 | Low | 68.2 | Low | 68 Ų | 68 | 108.4 Ų | 108.4 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -42.2 | 174.1 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | L11 L12 T17 A18 F19 | L11-T15 WeakPolarHBondContact O-CG2 3.28Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 VanDerWaalsContact O-N 3.16Å; L11-T15 PolarHBondContact O-OG1 2.8Å; L11-T15 VanDerWaalsContact O-OG1 3.06Å; L12-T15 WeakPolarHBondContact CA-OG1 3.08Å; L12-T15 PolarHBondContact O-OG1 3.1Å; T15-T17 VanDerWaalsContact C-N 3.29Å; T15-T17 PolarHBondContact O-N 2.84Å; T15-A18 PolarHBondContact O-N 2.81Å; T15-A18 VanDerWaalsContact O-N 3.09Å; T15-F19 WeakPolarHBondContact O-CD2 3.19Å; T15-F19 PolarHBondContact O-N 2.66Å; T15-F19 VanDerWaalsContact O-N 3.11Å |
| 16 | I | 64.3 | Low | 69.5 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.4 | -38.4 | 176.4 | -67.8 | 164.2 | 0 | 0 | 0 | 111.7 | L12 F13 | L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.06Å; L12-I16 PolarHBondContact O-N 3.25Å; L12-I16 VanDerWaalsContact O-N 3.14Å; F13-I16 PolarHBondContact O-N 2.77Å |
| 17 | T | 63.2 | Low | 70.7 | Confident | 83 Ų | 83 | 110.2 Ų | 110.2 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.4 | -36.1 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | F13 S14 T15 F19 R20 | F13-T17 PolarHBondContact O-N 2.66Å; F13-T17 PolarHBondContact O-OG1 2.89Å; S14-T17 PolarHBondContact O-N 3.26Å; S14-T17 PolarHBondContact O-OG1 2.86Å; T15-T17 VanDerWaalsContact C-N 3.29Å; T15-T17 PolarHBondContact O-N 2.84Å; T17-F19 VanDerWaalsContact C-N 3.35Å; T17-F19 PolarHBondContact O-N 3.16Å; T17-R20 PolarHBondContact O-N 2.91Å |
| 18 | A | 62.2 | Low | 71.9 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -30.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S14 T15 R20 S21 | S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.16Å; T15-A18 PolarHBondContact O-N 2.81Å; T15-A18 VanDerWaalsContact O-N 3.09Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.08Å; A18-S21 PolarHBondContact O-OG 3.29Å |
| 19 | F | 59 | Low | 73.2 | Confident | 162 Ų | 162 | 98.2 Ų | 98.2 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.5 | -25.4 | 177.1 | -90.1 | -83.6 | 0 | 0 | 0 | 113.6 | T15 T17 S21 L22 | T15-F19 WeakPolarHBondContact O-CD2 3.19Å; T15-F19 PolarHBondContact O-N 2.66Å; T15-F19 VanDerWaalsContact O-N 3.11Å; T17-F19 VanDerWaalsContact C-N 3.35Å; T17-F19 PolarHBondContact O-N 3.16Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.86Å; F19-L22 PolarHBondContact O-N 3.09Å |
| 20 | R | 60.2 | Low | 74.5 | Confident | 217 Ų | 217 | 93.3 Ų | 93.3 | 82% | 0.819 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.1 | -178 | -71.2 | -171.8 | 178.5 | -141.2 | 0.8 | 114.1 | T17 A18 | T17-R20 PolarHBondContact O-N 2.91Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.08Å |
| 21 | S | 63.4 | Low | 76 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -5.5 | -179.6 | 43.5 | 0 | 0 | 0 | 0 | 114.6 | A18 F19 K23 | A18-S21 PolarHBondContact O-OG 3.29Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.86Å; S21-K23 PolarHBondContact O-N 2.78Å; S21-K23 VanDerWaalsContact O-N 3.07Å |
| 22 | L | 63.1 | Low | 77.4 | Confident | 132 Ų | 132 | 83.7 Ų | 83.7 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | trans | -77.7 | 99.2 | 177.2 | -147.9 | 72.9 | 0 | 0 | 0 | 109 | F19 I24 | F19-L22 PolarHBondContact O-N 3.09Å; L22-I24 PolarHBondContact O-N 3.43Å | ||
| 23 | K | 70.2 | Confident | 78.8 | Confident | 170 Ų | 170 | 83.4 Ų | 83.4 | 74% | 0.739 | 42% | 0.421 | S | S | * | . | trans | -59.3 | 113.8 | 165.5 | -69.3 | -171.1 | 178.7 | -174.5 | 0 | 107 | S21 G25 | S21-K23 PolarHBondContact O-N 2.78Å; S21-K23 VanDerWaalsContact O-N 3.07Å; K23-G25 PolarHBondContact O-N 2.91Å | ||
| 24 | I | 83.9 | Confident | 80.4 | Confident | 130 Ų | 130 | 76.3 Ų | 76.3 | 67% | 0.667 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -71.1 | 121.2 | 178.1 | -64.8 | 173.1 | 0 | 0 | 0 | 107.4 | L22 I83 | L22-I24 PolarHBondContact O-N 3.43Å; I24-I83 HydrophobicContact CG2-CD1 3.36Å; I24-I83 HydrophobicContact CG2-CG1 3.53Å |
| 25 | G | 90.6 | Very high | 82.1 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 98.7 | 167.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | K23 S82 | K23-G25 PolarHBondContact O-N 2.91Å; G25-S82 CarbonylContact C-O 3.56Å; G25-S82 WeakPolarHBondContact CA-O 3.43Å |
| 26 | R | 93.7 | Very high | 83.7 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.6 | -179.7 | -65.3 | 175 | -70.6 | 161.2 | -3.4 | 109.4 | Q28 T81 S82 E118 | R26-Q28 HydrophobicContact CB-CG 4.48Å; R26-T81 WeakPolarHBondContact O-CA 3.23Å; R26-S82 PolarHBondContact N-O 2.91Å; R26-S82 PolarHBondContact O-N 2.88Å; R26-E118 IonicContact CZ-OE1 3.54Å; R26-E118 IonicContact NE-OE1 3.97Å; R26-E118 IonicContact NH1-OE1 2.59Å; R26-E118 PolarHBondContact NH1-OE1 2.92Å |
| 27 | K | 96.1 | Very high | 85.4 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 126.6 | 169.9 | -71.2 | 171.8 | 165.6 | -165.7 | 0 | 108.7 | E80 G119 L120 | K27-E80 WeakPolarHBondContact CA-O 3.43Å; K27-G119 PolarHBondContact O-N 3Å; K27-L120 HydrophobicContact CB-CD2 4.38Å; K27-L120 HydrophobicContact CD-CD2 3.57Å; K27-L120 HydrophobicContact CD-CG 3.89Å; K27-L120 HydrophobicContact CG-CD2 4.12Å |
| 28 | Q | 97.9 | Very high | 87 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.6 | 180 | -65.3 | 169.8 | 69.8 | 0 | 0 | 109.3 | R26 H79 E80 S82 T84 S85 I86 V116 S117 G119 | R26-Q28 HydrophobicContact CB-CG 4.48Å; Q28-H79 CarbonylContact O-C 3.57Å; Q28-H79 WeakPolarHBondContact O-CA 3.35Å; Q28-H79 WeakPolarHBondContact O-CB 3.29Å; Q28-E80 PolarHBondContact N-O 2.92Å; Q28-E80 PolarHBondContact O-N 2.91Å; Q28-S82 PolarHBondContact NE2-O 3.05Å; Q28-T84 PolarHBondContact NE2-O 3.06Å; Q28-S85 VanDerWaalsContact OE1-CA 3.23Å; Q28-I86 HydrophobicContact CB-CD1 3.95Å; Q28-I86 HydrophobicContact CB-CG1 4.01Å; Q28-I86 HydrophobicContact CB-CG2 4.05Å; Q28-V116 HydrophobicContact CB-CG1 4.08Å; Q28-V116 HydrophobicContact CG-CG1 4.47Å; Q28-S117 CarbonylContact C-O 3.49Å; Q28-S117 VanDerWaalsContact CA-O 3.24Å; Q28-S117 WeakPolarHBondContact CA-O 3.04Å; Q28-G119 CarbonylContact C-O 3.57Å |
| 29 | S | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159 | -173.3 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | G78 V116 S117 G119 L120 E121 P122 | S29-G78 VanDerWaalsContact CA-O 3.23Å; S29-G78 WeakPolarHBondContact CA-O 3.45Å; S29-G78 WeakPolarHBondContact CB-O 2.85Å; S29-V116 CarbonylContact O-C 3.55Å; S29-V116 WeakPolarHBondContact O-CA 3.46Å; S29-S117 PolarHBondContact N-O 3.46Å; S29-S117 PolarHBondContact O-N 2.58Å; S29-S117 PolarHBondContact OG-O 3Å; S29-G119 WeakPolarHBondContact CB-O 3.45Å; S29-G119 PolarHBondContact N-O 3.49Å; S29-G119 PolarHBondContact OG-O 3.1Å; S29-L120 WeakPolarHBondContact CB-O 2.98Å; S29-E121 PolarHBondContact OG-O 3.42Å; S29-P122 WeakPolarHBondContact OG-CA 3.43Å |
| 30 | T | 98.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.3 | 175 | -170.2 | 0 | 0 | 0 | 0 | 110 | L50 M63 Q77 G78 I86 P88 F115 | T30-L50 HydrophobicContact CG2-CD1 4.15Å; T30-L50 HydrophobicContact CG2-CD2 3.95Å; T30-L50 HydrophobicContact CG2-CG 4.48Å; T30-M63 HydrophobicContact CG2-CE 3.83Å; T30-Q77 WeakPolarHBondContact O-CA 3.37Å; T30-G78 PolarHBondContact N-O 2.88Å; T30-G78 PolarHBondContact O-N 3.42Å; T30-I86 HydrophobicContact CG2-CD1 4.44Å; T30-P88 HydrophobicContact CG2-CB 3.53Å; T30-P88 HydrophobicContact CG2-CG 3.67Å; T30-F115 PolarHBondContact OG1-O 3.13Å |
| 31 | A | 98.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | L76 Q77 P122 T125 F126 | A31-L76 CarbonylContact C-O 3.57Å; A31-L76 VanDerWaalsContact CA-O 3.28Å; A31-L76 WeakPolarHBondContact CA-O 2.95Å; A31-Q77 HydrophobicContact CB-CB 3.8Å; A31-P122 HydrophobicContact CB-CB 3.95Å; A31-P122 HydrophobicContact CB-CG 3.6Å; A31-T125 HydrophobicContact CB-CG2 3.93Å; A31-T125 WeakPolarHBondContact O-CA 3.37Å; A31-F126 PolarHBondContact O-N 3.11Å |
| 32 | V | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.2 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | L50 F74 L75 L76 L90 I111 F126 M128 | V32-L50 HydrophobicContact CG1-CD1 4.31Å; V32-F74 HydrophobicContact CG1-CE2 4.4Å; V32-F74 HydrophobicContact CG2-CE2 4.22Å; V32-L75 WeakPolarHBondContact O-CA 3.36Å; V32-L76 HydrophobicContact CG1-CB 4.21Å; V32-L76 PolarHBondContact N-O 2.8Å; V32-L76 PolarHBondContact O-N 3.4Å; V32-L90 HydrophobicContact CG1-CD1 3.93Å; V32-L90 HydrophobicContact CG2-CD2 4.41Å; V32-I111 HydrophobicContact CB-CD1 3.75Å; V32-I111 HydrophobicContact CB-CG1 4.33Å; V32-I111 HydrophobicContact CG1-CD1 3.75Å; V32-I111 HydrophobicContact CG2-CD1 4.3Å; V32-I111 HydrophobicContact CG2-CG1 4.42Å; V32-F126 CarbonylContact C-O 3.37Å; V32-F126 VanDerWaalsContact CA-O 3.29Å; V32-F126 WeakPolarHBondContact CA-O 3.29Å; V32-F126 HydrophobicContact CB-CB 4.5Å; V32-F126 HydrophobicContact CG2-CB 4.48Å; V32-F126 HydrophobicContact CG2-CD1 3.88Å; V32-M128 HydrophobicContact CG2-CE 4.25Å |
| 33 | K | 98.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 161.2 | 173.8 | 72.2 | 178.2 | -171.4 | 165.1 | 0 | 110.9 | F74 L75 T125 F126 D127 M128 | K33-F74 VanDerWaalsContact CA-O 3.24Å; K33-F74 WeakPolarHBondContact CA-O 3.48Å; K33-F74 WeakPolarHBondContact CB-O 3.32Å; K33-L75 HydrophobicContact CB-CB 4.28Å; K33-L75 HydrophobicContact CB-CD1 3.84Å; K33-T125 HydrophobicContact CB-CG2 4.01Å; K33-T125 HydrophobicContact CD-CG2 4.05Å; K33-T125 HydrophobicContact CG-CG2 3.78Å; K33-F126 PolarHBondContact N-O 2.03Å; K33-D127 WeakPolarHBondContact CE-OD2 3.22Å; K33-D127 HydrophobicContact CG-CB 4.27Å; K33-D127 IonicContact NZ-OD2 2.57Å; K33-D127 PolarHBondContact NZ-OD2 2.77Å; K33-D127 VanDerWaalsContact NZ-OD2 3.09Å; K33-M128 WeakPolarHBondContact O-CG 3.12Å; K33-M128 PolarHBondContact O-N 3.26Å |
| 34 | G | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -177.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | R73 F74 G129 | G34-R73 VanDerWaalsContact O-CA 3.31Å; G34-R73 WeakPolarHBondContact O-CA 3.43Å; G34-F74 PolarHBondContact N-O 2.96Å; G34-F74 VanDerWaalsContact N-O 3.14Å; G34-F74 WeakPolarHBondContact O-CD1 3.47Å; G34-F74 PolarHBondContact O-N 3.42Å; G34-G129 WeakPolarHBondContact CA-O 3.44Å |
| 35 | V | 98.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 24% | 0.242 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.5 | 174.2 | -169.4 | 0 | 0 | 0 | 0 | 108.9 | E71 G72 R73 G129 T130 L131 | V35-E71 WeakPolarHBondContact CG1-O 3.31Å; V35-G72 CarbonylContact C-O 3.58Å; V35-G72 WeakPolarHBondContact CA-O 3.44Å; V35-R73 HydrophobicContact CG2-CG 4.06Å; V35-G129 PolarHBondContact N-O 2.65Å; V35-T130 HydrophobicContact CB-CG2 4.33Å; V35-T130 CarbonylContact O-C 3.58Å; V35-T130 VanDerWaalsContact O-CA 3.29Å; V35-T130 WeakPolarHBondContact O-CA 3.47Å; V35-L131 PolarHBondContact O-N 3.3Å |
| 36 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.5 | 175.1 | -55.2 | -177.2 | 0 | 0 | 0 | 110 | A43 V46 V48 T68 G72 F74 L92 M128 L131 L133 | L36-A43 HydrophobicContact CB-CB 4.05Å; L36-A43 PolarHBondContact O-N 2.89Å; L36-V46 HydrophobicContact CD1-CB 4Å; L36-V46 HydrophobicContact CD1-CG1 3.56Å; L36-V48 HydrophobicContact CD1-CG1 4.13Å; L36-T68 HydrophobicContact CB-CG2 4.18Å; L36-T68 HydrophobicContact CD1-CG2 3.72Å; L36-T68 HydrophobicContact CG-CG2 3.99Å; L36-G72 PolarHBondContact N-O 2.89Å; L36-F74 HydrophobicContact CD1-CD1 4.35Å; L36-F74 HydrophobicContact CD1-CE1 4.37Å; L36-F74 HydrophobicContact CD2-CE1 4.02Å; L36-F74 HydrophobicContact CG-CD1 4.1Å; L36-F74 HydrophobicContact CG-CE1 3.98Å; L36-L92 HydrophobicContact CD1-CD1 4.42Å; L36-L92 HydrophobicContact CD1-CD2 3.81Å; L36-L92 HydrophobicContact CD2-CD1 4.18Å; L36-M128 HydrophobicContact CD2-SD 4.3Å; L36-L131 WeakPolarHBondContact CA-O 3.44Å; L36-L131 HydrophobicContact CD2-CB 3.89Å; L36-L131 HydrophobicContact CD2-CD2 4.24Å; L36-L133 HydrophobicContact CB-CD1 4.1Å; L36-L133 HydrophobicContact CB-CG 4.37Å; L36-L133 HydrophobicContact CD1-CD1 4.31Å; L36-L133 HydrophobicContact CD2-CD2 4.33Å |
| 37 | T | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 156.6 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | K41 T130 L131 N132 L133 | T37-K41 CarbonylContact C-O 3.41Å; T37-K41 WeakPolarHBondContact CA-O 3.41Å; T37-K41 VanDerWaalsContact CB-O 3.29Å; T37-K41 WeakPolarHBondContact CB-O 3.1Å; T37-T130 HydrophobicContact CG2-CG2 3.79Å; T37-L131 PolarHBondContact N-O 3.36Å; T37-L131 PolarHBondContact OG1-O 3.03Å; T37-N132 WeakPolarHBondContact OG1-CA 3.26Å; T37-L133 WeakPolarHBondContact O-CB 3.35Å; T37-L133 WeakPolarHBondContact O-CG 3.04Å; T37-L133 PolarHBondContact O-N 3.28Å |
| 38 | C | 98.4 | Very high | 98.3 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 110.6 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | G40 K41 A43 C96 | C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.43Å; C38-K41 PolarHBondContact N-O 3.43Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.09Å; C38-A43 HydrophobicContact CB-CB 4.24Å; C38-C96 WeakPolarHBondContact CA-SG 3.49Å; C38-C96 HydrophobicContact CB-CB 3.8Å; C38-C96 WeakPolarHBondContact CB-SG 3.03Å; C38-C96 WeakPolarHBondContact SG-CA 3.49Å; C38-C96 WeakPolarHBondContact SG-CB 3.35Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.99Å |
| 39 | N | 97.2 | Very high | 98.3 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 47.1 | 178 | -58.7 | -35 | 0 | 0 | 0 | 113.4 | K41 D97 N132 | N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 2.88Å; N39-D97 PolarHBondContact ND2-OD1 3.28Å; N39-N132 PolarHBondContact N-OD1 2.89Å; N39-N132 VanDerWaalsContact N-OD1 3.13Å |
| 40 | G | 96.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | -0.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C38 | C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.43Å |
| 41 | K | 98.6 | Very high | 98.2 | Very high | 156 Ų | 156 | 42.8 Ų | 42.8 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 149.2 | 174.2 | -63.4 | -180 | -178.1 | 177.3 | 0 | 110.9 | T37 C38 N39 A43 | T37-K41 CarbonylContact C-O 3.41Å; T37-K41 WeakPolarHBondContact CA-O 3.41Å; T37-K41 VanDerWaalsContact CB-O 3.29Å; T37-K41 WeakPolarHBondContact CB-O 3.1Å; C38-K41 PolarHBondContact N-O 3.43Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.09Å; N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 2.88Å; K41-A43 PolarHBondContact O-N 3.14Å |
| 42 | P | 98.7 | Very high | 98 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 128.4 | 170.3 | -27.7 | 36.4 | 0 | 0 | 0 | 111.8 | V44 | P42-V44 HydrophobicContact CB-CG2 4.31Å; P42-V44 PolarHBondContact O-N 2.98Å |
| 43 | A | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | trans | -87.5 | 92.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | L36 C38 K41 V46 T68 L133 | L36-A43 HydrophobicContact CB-CB 4.05Å; L36-A43 PolarHBondContact O-N 2.89Å; C38-A43 HydrophobicContact CB-CB 4.24Å; K41-A43 PolarHBondContact O-N 3.14Å; A43-V46 HydrophobicContact CB-CG2 3.67Å; A43-T68 WeakPolarHBondContact O-CB 3.45Å; A43-T68 PolarHBondContact O-OG1 2.9Å; A43-L133 HydrophobicContact CB-CD1 3.83Å | ||
| 44 | V | 98.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 146.5 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | P42 V46 | P42-V44 HydrophobicContact CB-CG2 4.31Å; P42-V44 PolarHBondContact O-N 2.98Å; V44-V46 PolarHBondContact O-N 2.86Å |
| 45 | N | 97.5 | Very high | 95.7 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 20.3 | 177.2 | -68.4 | -42.6 | 0 | 0 | 0 | 115.4 | K47 T68 | N45-K47 PolarHBondContact O-N 2.88Å; N45-T68 PolarHBondContact N-O 3.05Å; N45-T68 PolarHBondContact N-OG1 2.87Å; N45-T68 VanDerWaalsContact N-OG1 3.1Å |
| 46 | V | 98 | Very high | 94.2 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | trans | -67.6 | 125.8 | 171.8 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | L36 A43 V44 V48 K67 T68 Y93 H94 L133 | L36-V46 HydrophobicContact CD1-CB 4Å; L36-V46 HydrophobicContact CD1-CG1 3.56Å; A43-V46 HydrophobicContact CB-CG2 3.67Å; V44-V46 PolarHBondContact O-N 2.86Å; V46-V48 HydrophobicContact CG1-CG1 4.36Å; V46-K67 CarbonylContact O-C 3.53Å; V46-K67 VanDerWaalsContact O-CA 3.22Å; V46-K67 WeakPolarHBondContact O-CA 3.22Å; V46-T68 HydrophobicContact CB-CG2 4.04Å; V46-T68 WeakPolarHBondContact CB-OG1 3.34Å; V46-T68 PolarHBondContact N-OG1 2.83Å; V46-T68 PolarHBondContact O-N 3Å; V46-Y93 WeakPolarHBondContact CG1-O 3.3Å; V46-H94 HydrophobicContact CG1-CB 4Å; V46-H94 HydrophobicContact CG2-CB 4.19Å; V46-L133 HydrophobicContact CG1-CD1 4.3Å; V46-L133 HydrophobicContact CG2-CD1 3.87Å | ||
| 47 | K | 97.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 56 Ų | 56 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.4 | 179.2 | 175.2 | -177.8 | 179.1 | -172.6 | 0 | 109.2 | N45 Y93 | N45-K47 PolarHBondContact O-N 2.88Å; K47-Y93 HydrophobicContact CB-CD2 4.43Å; K47-Y93 HydrophobicContact CD-CD2 4.25Å; K47-Y93 HydrophobicContact CG-CD2 4.06Å; K47-Y93 PolarHBondContact N-O 3.12Å; K47-Y93 PolarHBondContact O-N 3.22Å |
| 48 | V | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138 | -179.2 | -59.1 | 0 | 0 | 0 | 0 | 109 | L36 V46 E65 G66 F74 L76 L90 K91 L92 | L36-V48 HydrophobicContact CD1-CG1 4.13Å; V46-V48 HydrophobicContact CG1-CG1 4.36Å; V48-E65 WeakPolarHBondContact O-CA 3.48Å; V48-G66 WeakPolarHBondContact CG2-O 3.04Å; V48-G66 PolarHBondContact N-O 3.43Å; V48-G66 PolarHBondContact O-N 3.47Å; V48-F74 HydrophobicContact CG1-CD1 4.44Å; V48-F74 HydrophobicContact CG1-CG 4.27Å; V48-F74 HydrophobicContact CG2-CB 3.98Å; V48-F74 HydrophobicContact CG2-CD2 4.11Å; V48-F74 HydrophobicContact CG2-CG 4.14Å; V48-L76 HydrophobicContact CB-CD1 4.27Å; V48-L76 HydrophobicContact CG2-CD1 3.86Å; V48-L76 HydrophobicContact CG2-CD2 4.15Å; V48-L76 HydrophobicContact CG2-CG 4.05Å; V48-L90 HydrophobicContact CB-CD1 4.31Å; V48-K91 CarbonylContact C-O 3.52Å; V48-K91 WeakPolarHBondContact CA-O 3.29Å; V48-L92 HydrophobicContact CB-CD2 4.03Å; V48-L92 HydrophobicContact CG1-CD2 3.27Å |
| 49 | K | 98 | Very high | 89.2 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135 | -178.7 | -65.8 | -164.3 | 175.6 | -131.1 | 0 | 111.2 | Y51 E65 L90 K91 Y93 | K49-Y51 HydrophobicContact CB-CD2 4Å; K49-Y51 HydrophobicContact CB-CE2 3.34Å; K49-Y51 HydrophobicContact CD-CE2 3.77Å; K49-Y51 WeakPolarHBondContact CD-OH 3.48Å; K49-Y51 HydrophobicContact CG-CE2 4.24Å; K49-E65 HydrophobicContact CB-CB 4.48Å; K49-E65 WeakPolarHBondContact CE-OE2 3.42Å; K49-E65 HydrophobicContact CG-CB 3.84Å; K49-E65 IonicContact NZ-OE2 2.72Å; K49-E65 PolarHBondContact NZ-OE2 2.97Å; K49-L90 CarbonylContact O-C 3.54Å; K49-L90 WeakPolarHBondContact O-CA 3.4Å; K49-K91 HydrophobicContact CB-CB 4.46Å; K49-K91 PolarHBondContact N-O 2.96Å; K49-K91 PolarHBondContact O-N 2.85Å; K49-Y93 HydrophobicContact CB-CE2 4.27Å; K49-Y93 HydrophobicContact CD-CE2 4.02Å; K49-Y93 HydrophobicContact CG-CE2 3.96Å |
| 50 | L | 98.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.4 | 177.7 | 179.6 | 61.9 | 0 | 0 | 0 | 109.1 | T30 V32 M63 D64 L76 P88 I111 | T30-L50 HydrophobicContact CG2-CD1 4.15Å; T30-L50 HydrophobicContact CG2-CD2 3.95Å; T30-L50 HydrophobicContact CG2-CG 4.48Å; V32-L50 HydrophobicContact CG1-CD1 4.31Å; L50-M63 HydrophobicContact CD1-CE 3.89Å; L50-M63 HydrophobicContact CD2-CB 4.38Å; L50-M63 HydrophobicContact CD2-CE 4.05Å; L50-M63 HydrophobicContact CG-CB 4.2Å; L50-M63 HydrophobicContact CG-CE 3.58Å; L50-M63 PolarHBondContact O-N 3.04Å; L50-D64 HydrophobicContact CB-CB 4.21Å; L50-D64 HydrophobicContact CD2-CB 4.38Å; L50-D64 PolarHBondContact N-O 3.09Å; L50-D64 PolarHBondContact O-N 3.44Å; L50-L76 HydrophobicContact CB-CB 4.29Å; L50-L76 HydrophobicContact CB-CD1 3.84Å; L50-L76 HydrophobicContact CD2-CB 4.38Å; L50-P88 HydrophobicContact CD1-CB 4.28Å; L50-I111 HydrophobicContact CD1-CD1 3.37Å |
| 51 | Y | 96.6 | Very high | 87.6 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156.2 | -179.8 | -66.6 | -90.5 | 0 | 0 | 0 | 111.4 | K49 E60 N61 M63 P88 I89 K91 | K49-Y51 HydrophobicContact CB-CD2 4Å; K49-Y51 HydrophobicContact CB-CE2 3.34Å; K49-Y51 HydrophobicContact CD-CE2 3.77Å; K49-Y51 WeakPolarHBondContact CD-OH 3.48Å; K49-Y51 HydrophobicContact CG-CE2 4.24Å; Y51-E60 HydrophobicContact CD1-CB 3.54Å; Y51-E60 HydrophobicContact CE1-CB 4.15Å; Y51-E60 HydrophobicContact CG-CB 3.97Å; Y51-N61 CarbonylContact C-O 3.56Å; Y51-N61 VanDerWaalsContact CA-O 3.24Å; Y51-N61 WeakPolarHBondContact CA-O 3.17Å; Y51-M63 VanDerWaalsContact C-CE 3.43Å; Y51-M63 VanDerWaalsContact O-CE 3.26Å; Y51-M63 WeakPolarHBondContact O-CE 3.38Å; Y51-P88 CarbonylContact O-C 3.57Å; Y51-P88 VanDerWaalsContact O-CA 3.3Å; Y51-P88 WeakPolarHBondContact O-CA 3.45Å; Y51-I89 PolarHBondContact N-O 2.8Å; Y51-I89 PolarHBondContact O-N 3.3Å; Y51-K91 HydrophobicContact CD2-CB 4.37Å; Y51-K91 HydrophobicContact CD2-CD 3.97Å; Y51-K91 HydrophobicContact CD2-CG 4.01Å; Y51-K91 HydrophobicContact CE2-CB 4.17Å; Y51-K91 HydrophobicContact CE2-CD 3.74Å; Y51-K91 HydrophobicContact CE2-CG 4.08Å |
| 52 | N | 95 | Very high | 87.4 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.6 | 161.7 | 171.3 | 33.6 | 0 | 0 | 0 | 109.4 | S54 N61 M63 I86 D87 | N52-S54 PolarHBondContact ND2-OG 2.82Å; N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.88Å; N52-S54 PolarHBondContact OD1-OG 2.77Å; N52-N61 HydrophobicContact CB-CB 4.44Å; N52-N61 PolarHBondContact N-O 3.28Å; N52-N61 PolarHBondContact O-N 2.59Å; N52-M63 HydrophobicContact CB-CE 4.23Å; N52-M63 HydrophobicContact CB-CG 4.37Å; N52-M63 HydrophobicContact CB-SD 3.95Å; N52-I86 HydrophobicContact CB-CB 4.43Å; N52-I86 WeakPolarHBondContact OD1-CA 3.05Å; N52-I86 WeakPolarHBondContact OD1-CB 3.28Å; N52-D87 PolarHBondContact OD1-N 2.94Å |
| 53 | D | 90.7 | Very high | 87.3 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | trans | -108.4 | 18.5 | -179 | -163.8 | 40.8 | 0 | 0 | 0 | 113.8 | Q55 G56 R57 D87 I89 | D53-Q55 PolarHBondContact O-N 3.03Å; D53-G56 WeakPolarHBondContact O-CA 3.46Å; D53-G56 PolarHBondContact O-N 3.23Å; D53-R57 WeakPolarHBondContact OD1-CA 3.07Å; D53-R57 PolarHBondContact OD1-N 3.38Å; D53-R57 VanDerWaalsContact OD2-CA 3.24Å; D53-R57 WeakPolarHBondContact OD2-CA 3.25Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 PolarHBondContact OD2-N 3.49Å; D53-R57 VanDerWaalsContact OD2-N 3.16Å; D53-D87 PolarHBondContact N-O 2.81Å; D53-I89 HydrophobicContact CB-CD1 4.1Å; D53-I89 HydrophobicContact CB-CG1 4.44Å; D53-I89 HydrophobicContact CB-CG2 3.95Å | ||
| 54 | S | 82 | Confident | 87.3 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.1 | -173.4 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | N52 S85 | N52-S54 PolarHBondContact ND2-OG 2.82Å; N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.88Å; N52-S54 PolarHBondContact OD1-OG 2.77Å; S54-S85 WeakPolarHBondContact CB-O 3.35Å |
| 55 | Q | 75.5 | Confident | 87.3 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 8 | 174.9 | -58.2 | -63.7 | -10.1 | 0 | 0 | 112.5 | D53 V59 | D53-Q55 PolarHBondContact O-N 3.03Å; Q55-V59 HydrophobicContact CB-CB 4.15Å; Q55-V59 HydrophobicContact CB-CG1 4.5Å |
| 56 | G | 67.1 | Low | 87.4 | Confident | 34 Ų | 34 | 59 Ų | 59 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | 89.9 | 153.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D53 Y58 V59 | D53-G56 WeakPolarHBondContact O-CA 3.46Å; D53-G56 PolarHBondContact O-N 3.23Å; G56-Y58 PolarHBondContact O-N 3.36Å; G56-V59 PolarHBondContact O-N 2.57Å | ||
| 57 | R | 63.1 | Low | 87.4 | Confident | 191 Ų | 191 | 65.2 Ų | 65.2 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -0.2 | -173.9 | -73.6 | -167.9 | -73.3 | -156 | 0.2 | 119.2 | D53 | D53-R57 WeakPolarHBondContact OD1-CA 3.07Å; D53-R57 PolarHBondContact OD1-N 3.38Å; D53-R57 VanDerWaalsContact OD2-CA 3.24Å; D53-R57 WeakPolarHBondContact OD2-CA 3.25Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 PolarHBondContact OD2-N 3.49Å; D53-R57 VanDerWaalsContact OD2-N 3.16Å |
| 58 | Y | 63.9 | Low | 87.5 | Confident | 226 Ų | 226 | 62.2 Ų | 62.2 | 89% | 0.886 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -21.9 | 179.4 | -59.5 | -75.9 | 0 | 0 | 0 | 113.1 | G56 | G56-Y58 PolarHBondContact O-N 3.36Š|
| 59 | V | 63.8 | Low | 87.5 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | trans | -122.8 | 95.2 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109 | Q55 G56 | Q55-V59 HydrophobicContact CB-CB 4.15Å; Q55-V59 HydrophobicContact CB-CG1 4.5Å; G56-V59 PolarHBondContact O-N 2.57Å | ||
| 60 | E | 73.5 | Confident | 87.5 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | trans | -105.1 | 114.1 | -176.2 | -63.5 | 171.9 | 172.2 | 0 | 0 | 110.4 | Y51 S62 I89 K91 | Y51-E60 HydrophobicContact CD1-CB 3.54Å; Y51-E60 HydrophobicContact CE1-CB 4.15Å; Y51-E60 HydrophobicContact CG-CB 3.97Å; E60-S62 PolarHBondContact O-N 2.83Å; E60-I89 HydrophobicContact CG-CD1 4.16Å; E60-K91 WeakPolarHBondContact OE1-CE 3.09Å; E60-K91 IonicContact OE1-NZ 3.86Å; E60-K91 PolarHBondContact OE1-NZ 2.67Å; E60-K91 WeakPolarHBondContact OE2-CE 3.26Å; E60-K91 IonicContact OE2-NZ 2.65Å; E60-K91 PolarHBondContact OE2-NZ 2.85Å | ||
| 61 | N | 87 | Confident | 87.5 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.8 | 173.7 | -71.9 | 0.4 | 0 | 0 | 0 | 109.2 | Y51 N52 M63 E80 | Y51-N61 CarbonylContact C-O 3.56Å; Y51-N61 VanDerWaalsContact CA-O 3.24Å; Y51-N61 WeakPolarHBondContact CA-O 3.17Å; N52-N61 HydrophobicContact CB-CB 4.44Å; N52-N61 PolarHBondContact N-O 3.28Å; N52-N61 PolarHBondContact O-N 2.59Å; N61-M63 PolarHBondContact O-N 3.25Å; N61-E80 PolarHBondContact ND2-OE2 3Å |
| 62 | S | 93.8 | Very high | 87.6 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 126.4 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | E60 | E60-S62 PolarHBondContact O-N 2.83Å |
| 63 | M | 97 | Very high | 87.8 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -40.7 | 177.2 | -64.3 | -168.1 | -67.4 | 0 | 0 | 112.2 | T30 L50 Y51 N52 N61 E80 I86 P88 | T30-M63 HydrophobicContact CG2-CE 3.83Å; L50-M63 HydrophobicContact CD1-CE 3.89Å; L50-M63 HydrophobicContact CD2-CB 4.38Å; L50-M63 HydrophobicContact CD2-CE 4.05Å; L50-M63 HydrophobicContact CG-CB 4.2Å; L50-M63 HydrophobicContact CG-CE 3.58Å; L50-M63 PolarHBondContact O-N 3.04Å; Y51-M63 VanDerWaalsContact C-CE 3.43Å; Y51-M63 VanDerWaalsContact O-CE 3.26Å; Y51-M63 WeakPolarHBondContact O-CE 3.38Å; N52-M63 HydrophobicContact CB-CE 4.23Å; N52-M63 HydrophobicContact CB-CG 4.37Å; N52-M63 HydrophobicContact CB-SD 3.95Å; N61-M63 PolarHBondContact O-N 3.25Å; M63-E80 HydrophobicContact SD-CB 4.34Å; M63-I86 HydrophobicContact SD-CD1 4.41Å; M63-P88 HydrophobicContact CE-CB 4Å |
| 64 | D | 98.3 | Very high | 88.2 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 158.4 | 179.4 | -167.2 | 17 | 0 | 0 | 0 | 111.1 | L50 L76 Q77 | L50-D64 HydrophobicContact CB-CB 4.21Å; L50-D64 HydrophobicContact CD2-CB 4.38Å; L50-D64 PolarHBondContact N-O 3.09Å; L50-D64 PolarHBondContact O-N 3.44Å; D64-L76 HydrophobicContact CB-CB 4.33Å; D64-L76 VanDerWaalsContact OD2-CA 3.27Å; D64-L76 WeakPolarHBondContact OD2-CA 3.43Å; D64-L76 WeakPolarHBondContact OD2-CB 3.15Å; D64-L76 WeakPolarHBondContact OD2-CD2 3.41Å; D64-Q77 VanDerWaalsContact CB-O 3.28Å; D64-Q77 WeakPolarHBondContact CB-O 3.49Å; D64-Q77 VanDerWaalsContact CG-O 3.32Å; D64-Q77 PolarHBondContact OD2-N 2.87Å; D64-Q77 VanDerWaalsContact OD2-O 3.08Å |
| 65 | E | 98.4 | Very high | 89 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 153.4 | 173.9 | 64.9 | 171.3 | -140.9 | 0 | 0 | 112.9 | V48 K49 | V48-E65 WeakPolarHBondContact O-CA 3.48Å; K49-E65 HydrophobicContact CB-CB 4.48Å; K49-E65 WeakPolarHBondContact CE-OE2 3.42Å; K49-E65 HydrophobicContact CG-CB 3.84Å; K49-E65 IonicContact NZ-OE2 2.72Å; K49-E65 PolarHBondContact NZ-OE2 2.97Å |
| 66 | G | 98.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | -172 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V48 | V48-G66 WeakPolarHBondContact CG2-O 3.04Å; V48-G66 PolarHBondContact N-O 3.43Å; V48-G66 PolarHBondContact O-N 3.47Å |
| 67 | K | 98.7 | Very high | 91.6 | Very high | 137 Ų | 137 | 76.8 Ų | 76.8 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.9 | 174.3 | -68.4 | -176.8 | -177.6 | 178.1 | 0 | 110.3 | V46 | V46-K67 CarbonylContact O-C 3.53Å; V46-K67 VanDerWaalsContact O-CA 3.22Å; V46-K67 WeakPolarHBondContact O-CA 3.22Å |
| 68 | T | 98.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | trans | -66.2 | 142.1 | 171.9 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | L36 A43 N45 V46 G72 R73 F74 | L36-T68 HydrophobicContact CB-CG2 4.18Å; L36-T68 HydrophobicContact CD1-CG2 3.72Å; L36-T68 HydrophobicContact CG-CG2 3.99Å; A43-T68 WeakPolarHBondContact O-CB 3.45Å; A43-T68 PolarHBondContact O-OG1 2.9Å; N45-T68 PolarHBondContact N-O 3.05Å; N45-T68 PolarHBondContact N-OG1 2.87Å; N45-T68 VanDerWaalsContact N-OG1 3.1Å; V46-T68 HydrophobicContact CB-CG2 4.04Å; V46-T68 WeakPolarHBondContact CB-OG1 3.34Å; V46-T68 PolarHBondContact N-OG1 2.83Å; V46-T68 PolarHBondContact O-N 3Å; T68-G72 VanDerWaalsContact CG2-O 3.28Å; T68-G72 WeakPolarHBondContact CG2-O 3.45Å; T68-R73 CarbonylContact C-O 3.52Å; T68-R73 WeakPolarHBondContact CA-O 3.27Å; T68-F74 HydrophobicContact CG2-CB 4.09Å; T68-F74 HydrophobicContact CG2-CD1 4.06Å; T68-F74 HydrophobicContact CG2-CG 4.5Å | ||
| 69 | D | 98.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -76.5 | -173 | 177.7 | 73.4 | 9.7 | 0 | 0 | 0 | 112.9 | E71 G72 R73 | D69-E71 PolarHBondContact O-N 2.98Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 VanDerWaalsContact OD1-C 3.31Å; D69-E71 WeakPolarHBondContact OD1-CA 3.24Å; D69-E71 PolarHBondContact OD1-N 2.9Å; D69-G72 PolarHBondContact O-N 2.87Å; D69-G72 PolarHBondContact OD1-N 2.87Å; D69-G72 VanDerWaalsContact OD1-N 3.08Å; D69-R73 PolarHBondContact N-O 2.97Å; D69-R73 PolarHBondContact OD1-N 2.81Å; D69-R73 IonicContact OD1-NE 2.91Å; D69-R73 IonicContact OD1-NH2 3.94Å; D69-R73 IonicContact OD2-CZ 3.25Å; D69-R73 VanDerWaalsContact OD2-CZ 3.25Å; D69-R73 IonicContact OD2-NE 3.09Å; D69-R73 PolarHBondContact OD2-NE 2.84Å; D69-R73 IonicContact OD2-NH2 2.8Å; D69-R73 PolarHBondContact OD2-NH2 2.82Å | ||
| 70 | S | 98.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 60.3 Ų | 60.3 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.4 | 178.8 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 71 | E | 98.7 | Very high | 97.3 | Very high | 107 Ų | 107 | 60.7 Ų | 60.7 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 12.1 | 176.7 | -64.5 | -176.9 | 82.3 | 0 | 0 | 111.5 | V35 D69 R73 | V35-E71 WeakPolarHBondContact CG1-O 3.31Å; D69-E71 PolarHBondContact O-N 2.98Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 VanDerWaalsContact OD1-C 3.31Å; D69-E71 WeakPolarHBondContact OD1-CA 3.24Å; D69-E71 PolarHBondContact OD1-N 2.9Å; E71-R73 HydrophobicContact CB-CG 4.37Å; E71-R73 PolarHBondContact O-N 3.07Å; E71-R73 IonicContact OE1-NH1 3.26Å; E71-R73 PolarHBondContact OE1-NH1 2.67Å; E71-R73 IonicContact OE2-CZ 3.05Å; E71-R73 IonicContact OE2-NH1 2.66Å; E71-R73 PolarHBondContact OE2-NH1 3.15Å; E71-R73 IonicContact OE2-NH2 2.66Å; E71-R73 PolarHBondContact OE2-NH2 3.37Å |
| 72 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 76.8 | 8.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V35 L36 T68 D69 | V35-G72 CarbonylContact C-O 3.58Å; V35-G72 WeakPolarHBondContact CA-O 3.44Å; L36-G72 PolarHBondContact N-O 2.89Å; T68-G72 VanDerWaalsContact CG2-O 3.28Å; T68-G72 WeakPolarHBondContact CG2-O 3.45Å; D69-G72 PolarHBondContact O-N 2.87Å; D69-G72 PolarHBondContact OD1-N 2.87Å; D69-G72 VanDerWaalsContact OD1-N 3.08Å |
| 73 | R | 98.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 146.8 | -176.4 | -57.3 | -177.9 | -70 | -107.1 | -9.2 | 111.7 | G34 V35 T68 D69 E71 | G34-R73 VanDerWaalsContact O-CA 3.31Å; G34-R73 WeakPolarHBondContact O-CA 3.43Å; V35-R73 HydrophobicContact CG2-CG 4.06Å; T68-R73 CarbonylContact C-O 3.52Å; T68-R73 WeakPolarHBondContact CA-O 3.27Å; D69-R73 PolarHBondContact N-O 2.97Å; D69-R73 PolarHBondContact OD1-N 2.81Å; D69-R73 IonicContact OD1-NE 2.91Å; D69-R73 IonicContact OD1-NH2 3.94Å; D69-R73 IonicContact OD2-CZ 3.25Å; D69-R73 VanDerWaalsContact OD2-CZ 3.25Å; D69-R73 IonicContact OD2-NE 3.09Å; D69-R73 PolarHBondContact OD2-NE 2.84Å; D69-R73 IonicContact OD2-NH2 2.8Å; D69-R73 PolarHBondContact OD2-NH2 2.82Å; E71-R73 HydrophobicContact CB-CG 4.37Å; E71-R73 PolarHBondContact O-N 3.07Å; E71-R73 IonicContact OE1-NH1 3.26Å; E71-R73 PolarHBondContact OE1-NH1 2.67Å; E71-R73 IonicContact OE2-CZ 3.05Å; E71-R73 IonicContact OE2-NH1 2.66Å; E71-R73 PolarHBondContact OE2-NH1 3.15Å; E71-R73 IonicContact OE2-NH2 2.66Å; E71-R73 PolarHBondContact OE2-NH2 3.37Å |
| 74 | F | 98.8 | Very high | 97 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.9 | 167.1 | 70.4 | -84.4 | 0 | 0 | 0 | 110.7 | V32 K33 G34 L36 V48 T68 L90 M128 | V32-F74 HydrophobicContact CG1-CE2 4.4Å; V32-F74 HydrophobicContact CG2-CE2 4.22Å; K33-F74 VanDerWaalsContact CA-O 3.24Å; K33-F74 WeakPolarHBondContact CA-O 3.48Å; K33-F74 WeakPolarHBondContact CB-O 3.32Å; G34-F74 PolarHBondContact N-O 2.96Å; G34-F74 VanDerWaalsContact N-O 3.14Å; G34-F74 WeakPolarHBondContact O-CD1 3.47Å; G34-F74 PolarHBondContact O-N 3.42Å; L36-F74 HydrophobicContact CD1-CD1 4.35Å; L36-F74 HydrophobicContact CD1-CE1 4.37Å; L36-F74 HydrophobicContact CD2-CE1 4.02Å; L36-F74 HydrophobicContact CG-CD1 4.1Å; L36-F74 HydrophobicContact CG-CE1 3.98Å; V48-F74 HydrophobicContact CG1-CD1 4.44Å; V48-F74 HydrophobicContact CG1-CG 4.27Å; V48-F74 HydrophobicContact CG2-CB 3.98Å; V48-F74 HydrophobicContact CG2-CD2 4.11Å; V48-F74 HydrophobicContact CG2-CG 4.14Å; T68-F74 HydrophobicContact CG2-CB 4.09Å; T68-F74 HydrophobicContact CG2-CD1 4.06Å; T68-F74 HydrophobicContact CG2-CG 4.5Å; F74-L90 HydrophobicContact CE2-CD1 4.25Å; F74-L90 HydrophobicContact CE2-CD2 3.7Å; F74-L90 HydrophobicContact CZ-CD2 3.61Å; F74-M128 HydrophobicContact CE1-CE 4.48Å; F74-M128 HydrophobicContact CE1-CG 4.49Å; F74-M128 HydrophobicContact CE1-SD 3.78Å; F74-M128 HydrophobicContact CZ-CE 3.68Å; F74-M128 HydrophobicContact CZ-CG 4.14Å; F74-M128 HydrophobicContact CZ-SD 3.53Å; F74-M128 VanDerWaalsContact CZ-SD 3.53Å |
| 75 | L | 98.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 123.3 | 169.9 | 168.8 | 65.8 | 0 | 0 | 0 | 106.7 | V32 K33 T125 | V32-L75 WeakPolarHBondContact O-CA 3.36Å; K33-L75 HydrophobicContact CB-CB 4.28Å; K33-L75 HydrophobicContact CB-CD1 3.84Å; L75-T125 HydrophobicContact CD1-CG2 3.9Å |
| 76 | L | 98.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.7 | 171.9 | -62.2 | -173.3 | 0 | 0 | 0 | 109.8 | A31 V32 V48 L50 D64 L90 | A31-L76 CarbonylContact C-O 3.57Å; A31-L76 VanDerWaalsContact CA-O 3.28Å; A31-L76 WeakPolarHBondContact CA-O 2.95Å; V32-L76 HydrophobicContact CG1-CB 4.21Å; V32-L76 PolarHBondContact N-O 2.8Å; V32-L76 PolarHBondContact O-N 3.4Å; V48-L76 HydrophobicContact CB-CD1 4.27Å; V48-L76 HydrophobicContact CG2-CD1 3.86Å; V48-L76 HydrophobicContact CG2-CD2 4.15Å; V48-L76 HydrophobicContact CG2-CG 4.05Å; L50-L76 HydrophobicContact CB-CB 4.29Å; L50-L76 HydrophobicContact CB-CD1 3.84Å; L50-L76 HydrophobicContact CD2-CB 4.38Å; D64-L76 HydrophobicContact CB-CB 4.33Å; D64-L76 VanDerWaalsContact OD2-CA 3.27Å; D64-L76 WeakPolarHBondContact OD2-CA 3.43Å; D64-L76 WeakPolarHBondContact OD2-CB 3.15Å; D64-L76 WeakPolarHBondContact OD2-CD2 3.41Å; L76-L90 HydrophobicContact CD1-CD1 3.79Å |
| 77 | Q | 98.7 | Very high | 96.5 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.1 | 169.5 | 62.2 | 173.5 | -9.6 | 0 | 0 | 110.8 | T30 A31 D64 P122 | T30-Q77 WeakPolarHBondContact O-CA 3.37Å; A31-Q77 HydrophobicContact CB-CB 3.8Å; D64-Q77 VanDerWaalsContact CB-O 3.28Å; D64-Q77 WeakPolarHBondContact CB-O 3.49Å; D64-Q77 VanDerWaalsContact CG-O 3.32Å; D64-Q77 PolarHBondContact OD2-N 2.87Å; D64-Q77 VanDerWaalsContact OD2-O 3.08Å; Q77-P122 HydrophobicContact CB-CG 4.05Å |
| 78 | G | 98.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 172.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S29 T30 | S29-G78 VanDerWaalsContact CA-O 3.23Å; S29-G78 WeakPolarHBondContact CA-O 3.45Å; S29-G78 WeakPolarHBondContact CB-O 2.85Å; T30-G78 PolarHBondContact N-O 2.88Å; T30-G78 PolarHBondContact O-N 3.42Å |
| 79 | H | 97.5 | Very high | 96.3 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.9 | -179.6 | 66.4 | -99.1 | 0 | 0 | 0 | 111.4 | Q28 L120 | Q28-H79 CarbonylContact O-C 3.57Å; Q28-H79 WeakPolarHBondContact O-CA 3.35Å; Q28-H79 WeakPolarHBondContact O-CB 3.29Å; H79-L120 WeakPolarHBondContact CB-O 3.24Å; H79-L120 VanDerWaalsContact CD2-CD2 3.41Å; H79-L120 WeakPolarHBondContact CD2-CD2 3.24Å; H79-L120 PolarHBondContact ND1-O 2.89Å; H79-L120 WeakPolarHBondContact NE2-CD2 2.69Å |
| 80 | E | 94.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 152.2 | 174 | 179.7 | 59.5 | -77.8 | 0 | 0 | 109.4 | K27 Q28 N61 M63 I86 | K27-E80 WeakPolarHBondContact CA-O 3.43Å; Q28-E80 PolarHBondContact N-O 2.92Å; Q28-E80 PolarHBondContact O-N 2.91Å; N61-E80 PolarHBondContact ND2-OE2 3Å; M63-E80 HydrophobicContact SD-CB 4.34Å; E80-I86 HydrophobicContact CB-CG2 4.19Å |
| 81 | T | 93.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 109.3 | 166.8 | -56.8 | 0 | 0 | 0 | 0 | 109 | R26 | R26-T81 WeakPolarHBondContact O-CA 3.23Å |
| 82 | S | 90 | Very high | 96.1 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.4 | -178.1 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | G25 R26 Q28 T84 | G25-S82 CarbonylContact C-O 3.56Å; G25-S82 WeakPolarHBondContact CA-O 3.43Å; R26-S82 PolarHBondContact N-O 2.91Å; R26-S82 PolarHBondContact O-N 2.88Å; Q28-S82 PolarHBondContact NE2-O 3.05Å; S82-T84 WeakPolarHBondContact CB-O 3.28Å; S82-T84 PolarHBondContact OG-N 3.35Å; S82-T84 PolarHBondContact OG-O 2.85Å; S82-T84 VanDerWaalsContact OG-O 3.11Å; S82-T84 PolarHBondContact OG-OG1 2.95Å |
| 83 | I | 90.4 | Very high | 96 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 60% | 0.595 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -69.8 | -47.6 | 173.9 | -59 | 173.1 | 0 | 0 | 0 | 110 | I24 | I24-I83 HydrophobicContact CG2-CD1 3.36Å; I24-I83 HydrophobicContact CG2-CG1 3.53Å |
| 84 | T | 91.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -86.1 | 169.3 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | Q28 S82 I86 | Q28-T84 PolarHBondContact NE2-O 3.06Å; S82-T84 WeakPolarHBondContact CB-O 3.28Å; S82-T84 PolarHBondContact OG-N 3.35Å; S82-T84 PolarHBondContact OG-O 2.85Å; S82-T84 VanDerWaalsContact OG-O 3.11Å; S82-T84 PolarHBondContact OG-OG1 2.95Å; T84-I86 PolarHBondContact O-N 3.16Å |
| 85 | S | 94 | Very high | 95.8 | Very high | 75 Ų | 75 | 42 Ų | 42 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 138.3 | 168.5 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | Q28 S54 | Q28-S85 VanDerWaalsContact OE1-CA 3.23Å; S54-S85 WeakPolarHBondContact CB-O 3.35Å |
| 86 | I | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 150 | 168.9 | 61.3 | 172.8 | 0 | 0 | 0 | 109.5 | Q28 T30 N52 M63 E80 T84 P88 V116 | Q28-I86 HydrophobicContact CB-CD1 3.95Å; Q28-I86 HydrophobicContact CB-CG1 4.01Å; Q28-I86 HydrophobicContact CB-CG2 4.05Å; T30-I86 HydrophobicContact CG2-CD1 4.44Å; N52-I86 HydrophobicContact CB-CB 4.43Å; N52-I86 WeakPolarHBondContact OD1-CA 3.05Å; N52-I86 WeakPolarHBondContact OD1-CB 3.28Å; M63-I86 HydrophobicContact SD-CD1 4.41Å; E80-I86 HydrophobicContact CB-CG2 4.19Å; T84-I86 PolarHBondContact O-N 3.16Å; I86-P88 HydrophobicContact CD1-CG 3.96Å; I86-P88 HydrophobicContact CG1-CG 4.01Å; I86-V116 HydrophobicContact CD1-CG1 3.92Å; I86-V116 HydrophobicContact CD1-CG2 4.15Å; I86-V116 HydrophobicContact CG1-CB 4.29Å; I86-V116 HydrophobicContact CG1-CG1 3.55Å; I86-V116 HydrophobicContact CG1-CG2 3.7Å |
| 87 | D | 95.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | trans | -119.3 | 87.3 | 174.9 | -169.3 | 5.6 | 0 | 0 | 0 | 108.1 | N52 D53 | N52-D87 PolarHBondContact OD1-N 2.94Å; D53-D87 PolarHBondContact N-O 2.81Å | ||
| 88 | P | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.3 | -167.7 | -11.6 | 27.8 | 0 | 0 | 0 | 112.2 | T30 L50 Y51 M63 I86 I111 V116 | T30-P88 HydrophobicContact CG2-CB 3.53Å; T30-P88 HydrophobicContact CG2-CG 3.67Å; L50-P88 HydrophobicContact CD1-CB 4.28Å; Y51-P88 CarbonylContact O-C 3.57Å; Y51-P88 VanDerWaalsContact O-CA 3.3Å; Y51-P88 WeakPolarHBondContact O-CA 3.45Å; M63-P88 HydrophobicContact CE-CB 4Å; I86-P88 HydrophobicContact CD1-CG 3.96Å; I86-P88 HydrophobicContact CG1-CG 4.01Å; P88-I111 HydrophobicContact CB-CB 4.08Å; P88-I111 HydrophobicContact CB-CD1 3.98Å; P88-I111 WeakPolarHBondContact O-CB 3.37Å; P88-I111 PolarHBondContact O-N 2.77Å; P88-V116 HydrophobicContact CG-CG2 3.67Å |
| 89 | I | 96.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.6 | 177.4 | 70.7 | 173.5 | 0 | 0 | 0 | 110 | Y51 D53 E60 L110 | Y51-I89 PolarHBondContact N-O 2.8Å; Y51-I89 PolarHBondContact O-N 3.3Å; D53-I89 HydrophobicContact CB-CD1 4.1Å; D53-I89 HydrophobicContact CB-CG1 4.44Å; D53-I89 HydrophobicContact CB-CG2 3.95Å; E60-I89 HydrophobicContact CG-CD1 4.16Å; I89-L110 HydrophobicContact CG2-CD2 3.6Å |
| 90 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.4 | 169.6 | -176.5 | 77.4 | 0 | 0 | 0 | 109.3 | V32 V48 K49 F74 L76 L92 S108 I109 M128 | V32-L90 HydrophobicContact CG1-CD1 3.93Å; V32-L90 HydrophobicContact CG2-CD2 4.41Å; V48-L90 HydrophobicContact CB-CD1 4.31Å; K49-L90 CarbonylContact O-C 3.54Å; K49-L90 WeakPolarHBondContact O-CA 3.4Å; F74-L90 HydrophobicContact CE2-CD1 4.25Å; F74-L90 HydrophobicContact CE2-CD2 3.7Å; F74-L90 HydrophobicContact CZ-CD2 3.61Å; L76-L90 HydrophobicContact CD1-CD1 3.79Å; L90-L92 HydrophobicContact CD2-CD2 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.26Å; L90-L92 HydrophobicContact CG-CD2 4.16Å; L90-S108 CarbonylContact O-C 3.52Å; L90-S108 VanDerWaalsContact O-CA 3.29Å; L90-S108 WeakPolarHBondContact O-CA 3.44Å; L90-I109 PolarHBondContact N-O 2.86Å; L90-I109 PolarHBondContact O-N 3.42Å; L90-M128 HydrophobicContact CD2-CE 3.35Å |
| 91 | K | 96.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 10% | 0.1 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.7 | 170.5 | -68.8 | -165.9 | 167.1 | -175.1 | 0 | 111.3 | V48 K49 Y51 E60 Y93 S108 | V48-K91 CarbonylContact C-O 3.52Å; V48-K91 WeakPolarHBondContact CA-O 3.29Å; K49-K91 HydrophobicContact CB-CB 4.46Å; K49-K91 PolarHBondContact N-O 2.96Å; K49-K91 PolarHBondContact O-N 2.85Å; Y51-K91 HydrophobicContact CD2-CB 4.37Å; Y51-K91 HydrophobicContact CD2-CD 3.97Å; Y51-K91 HydrophobicContact CD2-CG 4.01Å; Y51-K91 HydrophobicContact CE2-CB 4.17Å; Y51-K91 HydrophobicContact CE2-CD 3.74Å; Y51-K91 HydrophobicContact CE2-CG 4.08Å; E60-K91 WeakPolarHBondContact OE1-CE 3.09Å; E60-K91 IonicContact OE1-NZ 3.86Å; E60-K91 PolarHBondContact OE1-NZ 2.67Å; E60-K91 WeakPolarHBondContact OE2-CE 3.26Å; E60-K91 IonicContact OE2-NZ 2.65Å; E60-K91 PolarHBondContact OE2-NZ 2.85Å; K91-Y93 HydrophobicContact CB-CE2 3.71Å; K91-Y93 WeakPolarHBondContact CD-OH 3.29Å; K91-S108 WeakPolarHBondContact CE-OG 3.45Å |
| 92 | L | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.4 | 177.8 | -60.5 | 176.6 | 0 | 0 | 0 | 109.2 | L36 V48 L90 R106 F107 I109 L131 L133 | L36-L92 HydrophobicContact CD1-CD1 4.42Å; L36-L92 HydrophobicContact CD1-CD2 3.81Å; L36-L92 HydrophobicContact CD2-CD1 4.18Å; V48-L92 HydrophobicContact CB-CD2 4.03Å; V48-L92 HydrophobicContact CG1-CD2 3.27Å; L90-L92 HydrophobicContact CD2-CD2 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.26Å; L90-L92 HydrophobicContact CG-CD2 4.16Å; L92-R106 VanDerWaalsContact O-CA 3.25Å; L92-R106 WeakPolarHBondContact O-CA 3.43Å; L92-F107 HydrophobicContact CB-CD1 4.49Å; L92-F107 HydrophobicContact CB-CE1 4.12Å; L92-F107 HydrophobicContact CB-CZ 4.25Å; L92-F107 HydrophobicContact CD1-CE1 4.1Å; L92-F107 HydrophobicContact CD1-CE2 3.72Å; L92-F107 HydrophobicContact CD1-CZ 3.41Å; L92-F107 VanDerWaalsContact CD1-CZ 3.41Å; L92-F107 HydrophobicContact CG-CZ 4.37Å; L92-F107 PolarHBondContact N-O 3.44Å; L92-F107 PolarHBondContact O-N 3.44Å; L92-I109 HydrophobicContact CD1-CD1 3.92Å; L92-L131 HydrophobicContact CD1-CD2 4.02Å; L92-L133 HydrophobicContact CD1-CD2 4.49Å |
| 93 | Y | 96.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 112.5 | 178.1 | -54 | -96 | 0 | 0 | 0 | 109.7 | V46 K47 K49 K91 K105 R106 E143 | V46-Y93 WeakPolarHBondContact CG1-O 3.3Å; K47-Y93 HydrophobicContact CB-CD2 4.43Å; K47-Y93 HydrophobicContact CD-CD2 4.25Å; K47-Y93 HydrophobicContact CG-CD2 4.06Å; K47-Y93 PolarHBondContact N-O 3.12Å; K47-Y93 PolarHBondContact O-N 3.22Å; K49-Y93 HydrophobicContact CB-CE2 4.27Å; K49-Y93 HydrophobicContact CD-CE2 4.02Å; K49-Y93 HydrophobicContact CG-CE2 3.96Å; K91-Y93 HydrophobicContact CB-CE2 3.71Å; K91-Y93 WeakPolarHBondContact CD-OH 3.29Å; Y93-K105 WeakPolarHBondContact CA-O 3.24Å; Y93-R106 HydrophobicContact CD1-CB 3.85Å; Y93-R106 HydrophobicContact CE1-CB 4.01Å; Y93-E143 HydrophobicContact CD1-CB 4.33Å; Y93-E143 HydrophobicContact CE1-CB 4.44Å; Y93-E143 WeakPolarHBondContact CE1-OE2 3.5Å |
| 94 | H | 97 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164 | -170.9 | 69 | 98.8 | 0 | 0 | 0 | 113.4 | V46 C96 L104 K105 F107 L133 | V46-H94 HydrophobicContact CG1-CB 4Å; V46-H94 HydrophobicContact CG2-CB 4.19Å; H94-C96 WeakPolarHBondContact ND1-CB 3.44Å; H94-C96 PolarHBondContact ND1-N 2.98Å; H94-L104 CarbonylContact O-C 3.58Å; H94-L104 WeakPolarHBondContact O-CA 3.34Å; H94-K105 PolarHBondContact N-O 3.41Å; H94-K105 PolarHBondContact O-N 3.01Å; H94-F107 AromaticContact CD2-CE1 3.92Å; H94-F107 AromaticContact NE2-CD1 3.9Å; H94-F107 AromaticContact NE2-CE1 3.54Å; H94-L133 HydrophobicContact CB-CD1 3.75Å; H94-L133 PolarHBondContact CE1-O 2.87Å |
| 95 | N | 95.8 | Very high | 92.9 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | trans | -117.7 | 18 | 177.1 | 62.3 | -14.2 | 0 | 0 | 0 | 112.7 | D97 V98 L104 | N95-D97 PolarHBondContact O-N 3.07Å; N95-V98 HydrophobicContact CB-CB 4.24Å; N95-V98 WeakPolarHBondContact O-CB 3.43Å; N95-V98 PolarHBondContact O-N 3.4Å; N95-L104 HydrophobicContact CB-CD2 3.96Å | ||
| 96 | C | 97 | Very high | 93 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125.7 | 172.6 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | C38 H94 V98 K105 L133 | C38-C96 WeakPolarHBondContact CA-SG 3.49Å; C38-C96 HydrophobicContact CB-CB 3.8Å; C38-C96 WeakPolarHBondContact CB-SG 3.03Å; C38-C96 WeakPolarHBondContact SG-CA 3.49Å; C38-C96 WeakPolarHBondContact SG-CB 3.35Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.99Å; H94-C96 WeakPolarHBondContact ND1-CB 3.44Å; H94-C96 PolarHBondContact ND1-N 2.98Å; C96-V98 PolarHBondContact O-N 3.06Å; C96-K105 PolarHBondContact O-NZ 3.11Å; C96-L133 HydrophobicContact CB-CB 3.72Å |
| 97 | D | 94.7 | Very high | 93 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.8 | -172.4 | -53.3 | -39.4 | 0 | 0 | 0 | 113.7 | N39 N95 G134 | N39-D97 PolarHBondContact ND2-OD1 3.28Å; N95-D97 PolarHBondContact O-N 3.07Å; D97-G134 WeakPolarHBondContact OD2-CA 3.45Å |
| 98 | V | 90.1 | Very high | 93 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 14% | 0.139 | 25% | 0.248 | C | C | . | . | trans | -122.7 | 112.1 | 173 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | N95 C96 N100 K105 | N95-V98 HydrophobicContact CB-CB 4.24Å; N95-V98 WeakPolarHBondContact O-CB 3.43Å; N95-V98 PolarHBondContact O-N 3.4Å; C96-V98 PolarHBondContact O-N 3.06Å; V98-N100 VanDerWaalsContact CG1-O 3.23Å; V98-N100 WeakPolarHBondContact CG1-O 3.5Å; V98-K105 HydrophobicContact CG2-CD 3.61Å; V98-K105 HydrophobicContact CG2-CG 3.8Å | ||
| 99 | E | 83.1 | Confident | 92.9 | Very high | 209 Ų | 209 | 49 Ų | 49 | 98% | 0.977 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69 | -38.9 | -179.4 | -65 | -179.7 | 172.4 | 0 | 0 | 112.7 | ||
| 100 | N | 76.8 | Confident | 92.9 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | trans | -103.4 | 106.7 | 177.6 | -175.4 | 0.3 | 0 | 0 | 0 | 111.2 | V98 Q102 | V98-N100 VanDerWaalsContact CG1-O 3.23Å; V98-N100 WeakPolarHBondContact CG1-O 3.5Å; N100-Q102 PolarHBondContact O-N 3.34Å; N100-Q102 VanDerWaalsContact O-N 3.07Å; N100-Q102 VanDerWaalsContact OD1-CB 3.29Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N100-Q102 PolarHBondContact OD1-N 3.48Å | ||
| 101 | A | 79.3 | Confident | 92.9 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 1.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C103 | A101-C103 PolarHBondContact O-N 2.78Š|
| 102 | Q | 88.8 | Confident | 92.9 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.1 | 173.6 | -172.1 | 173.3 | 15.2 | 0 | 0 | 112.5 | N100 C144 A145 | N100-Q102 PolarHBondContact O-N 3.34Å; N100-Q102 VanDerWaalsContact O-N 3.07Å; N100-Q102 VanDerWaalsContact OD1-CB 3.29Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N100-Q102 PolarHBondContact OD1-N 3.48Å; Q102-C144 CarbonylContact O-C 3.57Å; Q102-C144 VanDerWaalsContact O-CA 3.23Å; Q102-C144 WeakPolarHBondContact O-CA 3.41Å; Q102-A145 PolarHBondContact O-N 2.96Å |
| 103 | C | 92.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.6 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | A101 E143 C144 | A101-C103 PolarHBondContact O-N 2.78Å; C103-E143 CarbonylContact C-O 3.53Å; C103-E143 WeakPolarHBondContact CA-O 3.28Å; C103-C144 HydrophobicContact CB-CB 4.05Å; C103-C144 WeakPolarHBondContact CB-SG 3.45Å; C103-C144 WeakPolarHBondContact SG-CB 3.42Å; C103-C144 CovalentContact SG-SG 2.04Å; C103-C144 PolarHBondContact SG-SG 3.48Å |
| 104 | L | 94.5 | Very high | 92.9 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 142.5 | 174.8 | -57.2 | -178.8 | 0 | 0 | 0 | 110.3 | H94 N95 R142 E143 | H94-L104 CarbonylContact O-C 3.58Å; H94-L104 WeakPolarHBondContact O-CA 3.34Å; N95-L104 HydrophobicContact CB-CD2 3.96Å; L104-R142 CarbonylContact O-C 3.57Å; L104-R142 WeakPolarHBondContact O-CA 3.49Å; L104-E143 PolarHBondContact N-O 2.76Å; L104-E143 PolarHBondContact O-N 3.02Å |
| 105 | K | 95.9 | Very high | 92.9 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 141.5 | 162.6 | -73.8 | 165.7 | 163.5 | -178.3 | 0 | 108.7 | Y93 H94 C96 V98 E140 G141 | Y93-K105 WeakPolarHBondContact CA-O 3.24Å; H94-K105 PolarHBondContact N-O 3.41Å; H94-K105 PolarHBondContact O-N 3.01Å; C96-K105 PolarHBondContact O-NZ 3.11Å; V98-K105 HydrophobicContact CG2-CD 3.61Å; V98-K105 HydrophobicContact CG2-CG 3.8Å; K105-E140 WeakPolarHBondContact CB-OE1 3.48Å; K105-E140 WeakPolarHBondContact CD-OE1 3.35Å; K105-E140 WeakPolarHBondContact CE-OE1 3.36Å; K105-E140 WeakPolarHBondContact CG-OE1 3.2Å; K105-G141 WeakPolarHBondContact CA-O 3.4Å |
| 106 | R | 95.2 | Very high | 93.1 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.7 | 176.2 | 64 | 167.9 | -174.9 | 87.1 | -2.9 | 111.8 | L92 Y93 E140 G141 R142 | L92-R106 VanDerWaalsContact O-CA 3.25Å; L92-R106 WeakPolarHBondContact O-CA 3.43Å; Y93-R106 HydrophobicContact CD1-CB 3.85Å; Y93-R106 HydrophobicContact CE1-CB 4.01Å; R106-E140 CarbonylContact O-C 3.5Å; R106-E140 WeakPolarHBondContact O-CA 3.13Å; R106-G141 PolarHBondContact N-O 2.8Å; R106-G141 PolarHBondContact O-N 3.38Å; R106-R142 PolarHBondContact NE-O 3.44Å |
| 107 | F | 95.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 165.5 | 167.9 | 65.8 | -83.2 | 0 | 0 | 0 | 110 | L92 H94 I109 L131 L133 F137 | L92-F107 HydrophobicContact CB-CD1 4.49Å; L92-F107 HydrophobicContact CB-CE1 4.12Å; L92-F107 HydrophobicContact CB-CZ 4.25Å; L92-F107 HydrophobicContact CD1-CE1 4.1Å; L92-F107 HydrophobicContact CD1-CE2 3.72Å; L92-F107 HydrophobicContact CD1-CZ 3.41Å; L92-F107 VanDerWaalsContact CD1-CZ 3.41Å; L92-F107 HydrophobicContact CG-CZ 4.37Å; L92-F107 PolarHBondContact N-O 3.44Å; L92-F107 PolarHBondContact O-N 3.44Å; H94-F107 AromaticContact CD2-CE1 3.92Å; H94-F107 AromaticContact NE2-CD1 3.9Å; H94-F107 AromaticContact NE2-CE1 3.54Å; F107-I109 HydrophobicContact CD2-CG1 4.23Å; F107-I109 HydrophobicContact CE2-CD1 3.92Å; F107-I109 HydrophobicContact CE2-CG1 3.93Å; F107-L131 HydrophobicContact CE2-CD2 4.03Å; F107-L131 HydrophobicContact CZ-CD2 3.8Å; F107-L133 HydrophobicContact CE1-CD2 3.99Å; F107-L133 HydrophobicContact CZ-CD2 3.95Å; F107-F137 HydrophobicContact CB-CB 4.13Å; F107-F137 HydrophobicContact CD1-CB 4.3Å; F107-F137 AromaticContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CE2 4.45Å; F107-F137 HydrophobicContact CD1-CG 4.14Å; F107-F137 HydrophobicContact CD2-CB 3.94Å; F107-F137 HydrophobicContact CD2-CD1 4.24Å; F107-F137 HydrophobicContact CD2-CD2 4.28Å; F107-F137 AromaticContact CD2-CG 3.87Å; F107-F137 HydrophobicContact CD2-CG 3.87Å; F107-F137 AromaticContact CE1-CD2 3.51Å; F107-F137 HydrophobicContact CE1-CD2 3.51Å; F107-F137 AromaticContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CG 4.1Å; F107-F137 HydrophobicContact CE1-CZ 4.47Å; F107-F137 HydrophobicContact CE2-CB 4.37Å; F107-F137 AromaticContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD2 4.01Å; F107-F137 HydrophobicContact CE2-CE1 4.17Å; F107-F137 HydrophobicContact CE2-CE2 4.29Å; F107-F137 AromaticContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CZ 4.37Å; F107-F137 HydrophobicContact CG-CB 3.88Å; F107-F137 HydrophobicContact CG-CD2 4.16Å; F107-F137 HydrophobicContact CG-CG 4.03Å; F107-F137 HydrophobicContact CZ-CD1 4.18Å; F107-F137 AromaticContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CE1 4.19Å; F107-F137 AromaticContact CZ-CE2 3.62Å; F107-F137 HydrophobicContact CZ-CE2 3.62Å; F107-F137 AromaticContact CZ-CG 3.91Å; F107-F137 HydrophobicContact CZ-CG 3.91Å; F107-F137 AromaticContact CZ-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CZ 3.91Å |
| 108 | S | 95.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.4 | -177.9 | -57 | 0 | 0 | 0 | 0 | 110.9 | L90 K91 | L90-S108 CarbonylContact O-C 3.52Å; L90-S108 VanDerWaalsContact O-CA 3.29Å; L90-S108 WeakPolarHBondContact O-CA 3.44Å; K91-S108 WeakPolarHBondContact CE-OG 3.45Å |
| 109 | I | 95.8 | Very high | 93.6 | Very high | 41 Ų | 41 | 66 Ų | 66 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.4 | 169.4 | -63.2 | 170.3 | 0 | 0 | 0 | 107.5 | L90 L92 F107 M128 L131 | L90-I109 PolarHBondContact N-O 2.86Å; L90-I109 PolarHBondContact O-N 3.42Å; L92-I109 HydrophobicContact CD1-CD1 3.92Å; F107-I109 HydrophobicContact CD2-CG1 4.23Å; F107-I109 HydrophobicContact CE2-CD1 3.92Å; F107-I109 HydrophobicContact CE2-CG1 3.93Å; I109-M128 HydrophobicContact CD1-CE 3.62Å; I109-M128 HydrophobicContact CD1-SD 4.34Å; I109-L131 HydrophobicContact CD1-CD2 3.81Å |
| 110 | L | 95 | Very high | 94.3 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 63% | 0.628 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.2 | 172.4 | -63.5 | 174.9 | 0 | 0 | 0 | 109.6 | I89 | I89-L110 HydrophobicContact CG2-CD2 3.6Å |
| 111 | I | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -91 | 126.7 | 170.1 | -61.1 | 166.2 | 0 | 0 | 0 | 107 | V32 L50 P88 N113 F115 F126 | V32-I111 HydrophobicContact CB-CD1 3.75Å; V32-I111 HydrophobicContact CB-CG1 4.33Å; V32-I111 HydrophobicContact CG1-CD1 3.75Å; V32-I111 HydrophobicContact CG2-CD1 4.3Å; V32-I111 HydrophobicContact CG2-CG1 4.42Å; L50-I111 HydrophobicContact CD1-CD1 3.37Å; P88-I111 HydrophobicContact CB-CB 4.08Å; P88-I111 HydrophobicContact CB-CD1 3.98Å; P88-I111 WeakPolarHBondContact O-CB 3.37Å; P88-I111 PolarHBondContact O-N 2.77Å; I111-N113 PolarHBondContact O-N 3.38Å; I111-F115 HydrophobicContact CG2-CB 3.99Å; I111-F126 HydrophobicContact CB-CD1 4.43Å; I111-F126 HydrophobicContact CG1-CD1 4.18Å; I111-F126 HydrophobicContact CG2-CB 3.9Å; I111-F126 HydrophobicContact CG2-CD1 4.06Å; I111-F126 HydrophobicContact CG2-CG 4.13Å |
| 112 | P | 97.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 58.5 Ų | 58.5 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 138.1 | -176.2 | -20.6 | 30.3 | 0 | 0 | 0 | 111.9 | D114 F115 F126 | P112-D114 PolarHBondContact O-N 3.49Å; P112-F115 HydrophobicContact CB-CD2 4.02Å; P112-F115 HydrophobicContact CB-CE2 4.44Å; P112-F115 HydrophobicContact CG-CD2 4.19Å; P112-F115 HydrophobicContact CG-CE2 4.35Å; P112-F115 WeakPolarHBondContact O-CB 3.33Å; P112-F115 PolarHBondContact O-N 3.4Å; P112-F126 HydrophobicContact CG-CD2 4.33Å; P112-F126 HydrophobicContact CG-CE2 3.97Å; P112-F126 HydrophobicContact CG-CZ 4.24Å |
| 113 | N | 95.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -55.2 | -26.1 | -178.8 | -74.7 | -26.6 | 0 | 0 | 0 | 113.9 | I111 F115 V116 | I111-N113 PolarHBondContact O-N 3.38Å; N113-F115 PolarHBondContact O-N 3.22Å; N113-F115 VanDerWaalsContact O-N 3.12Å; N113-V116 VanDerWaalsContact O-CB 3.31Å; N113-V116 WeakPolarHBondContact O-CB 3.3Å; N113-V116 PolarHBondContact O-N 2.72Å |
| 114 | D | 97.9 | Very high | 97 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -58.4 | -26.1 | 174.5 | -72 | -13 | 0 | 0 | 0 | 112.1 | P112 V116 K124 | P112-D114 PolarHBondContact O-N 3.49Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-K124 VanDerWaalsContact C-CE 3.45Å; D114-K124 WeakPolarHBondContact O-CE 3.31Å; D114-K124 PolarHBondContact O-NZ 3.3Å |
| 115 | F | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -83.7 | -0.3 | 176.8 | -68.4 | -94.8 | 0 | 0 | 0 | 114.5 | T30 I111 P112 N113 K124 T125 F126 | T30-F115 PolarHBondContact OG1-O 3.13Å; I111-F115 HydrophobicContact CG2-CB 3.99Å; P112-F115 HydrophobicContact CB-CD2 4.02Å; P112-F115 HydrophobicContact CB-CE2 4.44Å; P112-F115 HydrophobicContact CG-CD2 4.19Å; P112-F115 HydrophobicContact CG-CE2 4.35Å; P112-F115 WeakPolarHBondContact O-CB 3.33Å; P112-F115 PolarHBondContact O-N 3.4Å; N113-F115 PolarHBondContact O-N 3.22Å; N113-F115 VanDerWaalsContact O-N 3.12Å; F115-K124 HydrophobicContact CD1-CB 4.49Å; F115-K124 HydrophobicContact CD1-CD 3.98Å; F115-K124 HydrophobicContact CD1-CG 3.79Å; F115-K124 HydrophobicContact CE1-CD 4.16Å; F115-K124 HydrophobicContact CE1-CG 4.3Å; F115-T125 WeakPolarHBondContact CE1-O 3.46Å; F115-F126 HydrophobicContact CB-CB 4.25Å; F115-F126 VanDerWaalsContact CD1-CA 3.47Å; F115-F126 HydrophobicContact CD1-CB 3.65Å; F115-F126 HydrophobicContact CD1-CD2 4.44Å; F115-F126 VanDerWaalsContact CD1-N 3.32Å; F115-F126 HydrophobicContact CD2-CB 4.18Å; F115-F126 AromaticContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CG 4.35Å; F115-F126 VanDerWaalsContact CE1-CA 3.47Å; F115-F126 HydrophobicContact CE1-CB 4Å; F115-F126 HydrophobicContact CE1-CD2 4.15Å; F115-F126 HydrophobicContact CE2-CB 4.49Å; F115-F126 AromaticContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CE2 4.3Å; F115-F126 HydrophobicContact CE2-CG 4.42Å; F115-F126 HydrophobicContact CG-CB 3.76Å; F115-F126 HydrophobicContact CG-CD2 4.33Å; F115-F126 HydrophobicContact CG-CG 4.41Å; F115-F126 HydrophobicContact CZ-CB 4.41Å; F115-F126 AromaticContact CZ-CD2 3.72Å; F115-F126 HydrophobicContact CZ-CD2 3.72Å |
| 116 | V | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | trans | -77 | 131.7 | 168.4 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | Q28 S29 I86 P88 N113 D114 | Q28-V116 HydrophobicContact CB-CG1 4.08Å; Q28-V116 HydrophobicContact CG-CG1 4.47Å; S29-V116 CarbonylContact O-C 3.55Å; S29-V116 WeakPolarHBondContact O-CA 3.46Å; I86-V116 HydrophobicContact CD1-CG1 3.92Å; I86-V116 HydrophobicContact CD1-CG2 4.15Å; I86-V116 HydrophobicContact CG1-CB 4.29Å; I86-V116 HydrophobicContact CG1-CG1 3.55Å; I86-V116 HydrophobicContact CG1-CG2 3.7Å; P88-V116 HydrophobicContact CG-CG2 3.67Å; N113-V116 VanDerWaalsContact O-CB 3.31Å; N113-V116 WeakPolarHBondContact O-CB 3.3Å; N113-V116 PolarHBondContact O-N 2.72Å; D114-V116 VanDerWaalsContact C-N 3.31Å | ||
| 117 | S | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.8 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | Q28 S29 K123 | Q28-S117 CarbonylContact C-O 3.49Å; Q28-S117 VanDerWaalsContact CA-O 3.24Å; Q28-S117 WeakPolarHBondContact CA-O 3.04Å; S29-S117 PolarHBondContact N-O 3.46Å; S29-S117 PolarHBondContact O-N 2.58Å; S29-S117 PolarHBondContact OG-O 3Å; S117-K123 PolarHBondContact OG-N 3.09Å |
| 118 | E | 97.7 | Very high | 97.6 | Very high | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131 | 166.1 | -68.4 | -70.4 | 167.3 | 0 | 0 | 110 | R26 | R26-E118 IonicContact CZ-OE1 3.54Å; R26-E118 IonicContact NE-OE1 3.97Å; R26-E118 IonicContact NH1-OE1 2.59Å; R26-E118 PolarHBondContact NH1-OE1 2.92Å |
| 119 | G | 97.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 110.4 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K27 Q28 S29 | K27-G119 PolarHBondContact O-N 3Å; Q28-G119 CarbonylContact C-O 3.57Å; S29-G119 WeakPolarHBondContact CB-O 3.45Å; S29-G119 PolarHBondContact N-O 3.49Å; S29-G119 PolarHBondContact OG-O 3.1Å |
| 120 | L | 97.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -74.2 | -27.5 | 179.6 | -66.4 | 175.1 | 0 | 0 | 0 | 113.2 | K27 S29 H79 | K27-L120 HydrophobicContact CB-CD2 4.38Å; K27-L120 HydrophobicContact CD-CD2 3.57Å; K27-L120 HydrophobicContact CD-CG 3.89Å; K27-L120 HydrophobicContact CG-CD2 4.12Å; S29-L120 WeakPolarHBondContact CB-O 2.98Å; H79-L120 WeakPolarHBondContact CB-O 3.24Å; H79-L120 VanDerWaalsContact CD2-CD2 3.41Å; H79-L120 WeakPolarHBondContact CD2-CD2 3.24Å; H79-L120 PolarHBondContact ND1-O 2.89Å; H79-L120 WeakPolarHBondContact NE2-CD2 2.69Å |
| 121 | E | 98.4 | Very high | 98.1 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -112.4 | 128.7 | -173.3 | -60.6 | -57.9 | 137.5 | 0 | 0 | 110.3 | S29 | S29-E121 PolarHBondContact OG-O 3.42Š|
| 122 | P | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | trans | -69.6 | 137.5 | 178.9 | 25.3 | -28.7 | 0 | 0 | 0 | 111 | S29 A31 Q77 | S29-P122 WeakPolarHBondContact OG-CA 3.43Å; A31-P122 HydrophobicContact CB-CB 3.95Å; A31-P122 HydrophobicContact CB-CG 3.6Å; Q77-P122 HydrophobicContact CB-CG 4.05Å | ||
| 123 | K | 98.6 | Very high | 98.2 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 74% | 0.739 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.9 | -16.4 | 179.8 | -64 | 176.6 | -176.8 | 175.9 | 0 | 113.3 | S117 | S117-K123 PolarHBondContact OG-N 3.09Š|
| 124 | K | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 62 Ų | 62 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -151.9 | 155.6 | 178.2 | 59.3 | -177 | -174.9 | -170.9 | 0 | 110.5 | D114 F115 | D114-K124 VanDerWaalsContact C-CE 3.45Å; D114-K124 WeakPolarHBondContact O-CE 3.31Å; D114-K124 PolarHBondContact O-NZ 3.3Å; F115-K124 HydrophobicContact CD1-CB 4.49Å; F115-K124 HydrophobicContact CD1-CD 3.98Å; F115-K124 HydrophobicContact CD1-CG 3.79Å; F115-K124 HydrophobicContact CE1-CD 4.16Å; F115-K124 HydrophobicContact CE1-CG 4.3Å |
| 125 | T | 98.8 | Very high | 98.1 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.362 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.3 | -179.7 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | A31 K33 L75 F115 D127 | A31-T125 HydrophobicContact CB-CG2 3.93Å; A31-T125 WeakPolarHBondContact O-CA 3.37Å; K33-T125 HydrophobicContact CB-CG2 4.01Å; K33-T125 HydrophobicContact CD-CG2 4.05Å; K33-T125 HydrophobicContact CG-CG2 3.78Å; L75-T125 HydrophobicContact CD1-CG2 3.9Å; F115-T125 WeakPolarHBondContact CE1-O 3.46Å; T125-D127 PolarHBondContact O-N 3.16Å |
| 126 | F | 98.7 | Very high | 97.9 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 18% | 0.18 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 116.8 | 169.9 | -179.6 | -124.4 | 0 | 0 | 0 | 109.5 | A31 V32 K33 I111 P112 F115 M128 | A31-F126 PolarHBondContact O-N 3.11Å; V32-F126 CarbonylContact C-O 3.37Å; V32-F126 VanDerWaalsContact CA-O 3.29Å; V32-F126 WeakPolarHBondContact CA-O 3.29Å; V32-F126 HydrophobicContact CB-CB 4.5Å; V32-F126 HydrophobicContact CG2-CB 4.48Å; V32-F126 HydrophobicContact CG2-CD1 3.88Å; K33-F126 PolarHBondContact N-O 2.03Å; I111-F126 HydrophobicContact CB-CD1 4.43Å; I111-F126 HydrophobicContact CG1-CD1 4.18Å; I111-F126 HydrophobicContact CG2-CB 3.9Å; I111-F126 HydrophobicContact CG2-CD1 4.06Å; I111-F126 HydrophobicContact CG2-CG 4.13Å; P112-F126 HydrophobicContact CG-CD2 4.33Å; P112-F126 HydrophobicContact CG-CE2 3.97Å; P112-F126 HydrophobicContact CG-CZ 4.24Å; F115-F126 HydrophobicContact CB-CB 4.25Å; F115-F126 VanDerWaalsContact CD1-CA 3.47Å; F115-F126 HydrophobicContact CD1-CB 3.65Å; F115-F126 HydrophobicContact CD1-CD2 4.44Å; F115-F126 VanDerWaalsContact CD1-N 3.32Å; F115-F126 HydrophobicContact CD2-CB 4.18Å; F115-F126 AromaticContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CG 4.35Å; F115-F126 VanDerWaalsContact CE1-CA 3.47Å; F115-F126 HydrophobicContact CE1-CB 4Å; F115-F126 HydrophobicContact CE1-CD2 4.15Å; F115-F126 HydrophobicContact CE2-CB 4.49Å; F115-F126 AromaticContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CE2 4.3Å; F115-F126 HydrophobicContact CE2-CG 4.42Å; F115-F126 HydrophobicContact CG-CB 3.76Å; F115-F126 HydrophobicContact CG-CD2 4.33Å; F115-F126 HydrophobicContact CG-CG 4.41Å; F115-F126 HydrophobicContact CZ-CB 4.41Å; F115-F126 AromaticContact CZ-CD2 3.72Å; F115-F126 HydrophobicContact CZ-CD2 3.72Å; F126-M128 HydrophobicContact CE1-CB 4.35Å |
| 127 | D | 98.7 | Very high | 97.7 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.9 | 175.7 | -167.2 | -18.9 | 0 | 0 | 0 | 109.1 | K33 T125 G129 | K33-D127 WeakPolarHBondContact CE-OD2 3.22Å; K33-D127 HydrophobicContact CG-CB 4.27Å; K33-D127 IonicContact NZ-OD2 2.57Å; K33-D127 PolarHBondContact NZ-OD2 2.77Å; K33-D127 VanDerWaalsContact NZ-OD2 3.09Å; T125-D127 PolarHBondContact O-N 3.16Å; D127-G129 PolarHBondContact O-N 3.29Å; D127-G129 WeakPolarHBondContact OD1-CA 3.34Å; D127-G129 PolarHBondContact OD1-N 3.16Å |
| 128 | M | 97.7 | Very high | 97.4 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -2 | 176.8 | 68.3 | 165 | 51 | 0 | 0 | 113.6 | V32 K33 L36 F74 L90 I109 F126 | V32-M128 HydrophobicContact CG2-CE 4.25Å; K33-M128 WeakPolarHBondContact O-CG 3.12Å; K33-M128 PolarHBondContact O-N 3.26Å; L36-M128 HydrophobicContact CD2-SD 4.3Å; F74-M128 HydrophobicContact CE1-CE 4.48Å; F74-M128 HydrophobicContact CE1-CG 4.49Å; F74-M128 HydrophobicContact CE1-SD 3.78Å; F74-M128 HydrophobicContact CZ-CE 3.68Å; F74-M128 HydrophobicContact CZ-CG 4.14Å; F74-M128 HydrophobicContact CZ-SD 3.53Å; F74-M128 VanDerWaalsContact CZ-SD 3.53Å; L90-M128 HydrophobicContact CD2-CE 3.35Å; I109-M128 HydrophobicContact CD1-CE 3.62Å; I109-M128 HydrophobicContact CD1-SD 4.34Å; F126-M128 HydrophobicContact CE1-CB 4.35Å |
| 129 | G | 98.3 | Very high | 96.9 | Very high | 29 Ų | 29 | 75.9 Ų | 75.9 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.7 | -137.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | G34 V35 D127 | G34-G129 WeakPolarHBondContact CA-O 3.44Å; V35-G129 PolarHBondContact N-O 2.65Å; D127-G129 PolarHBondContact O-N 3.29Å; D127-G129 WeakPolarHBondContact OD1-CA 3.34Å; D127-G129 PolarHBondContact OD1-N 3.16Å |
| 130 | T | 98.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 77.4 Ų | 77.4 | 61% | 0.613 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.7 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | V35 T37 | V35-T130 HydrophobicContact CB-CG2 4.33Å; V35-T130 CarbonylContact O-C 3.58Å; V35-T130 VanDerWaalsContact O-CA 3.29Å; V35-T130 WeakPolarHBondContact O-CA 3.47Å; T37-T130 HydrophobicContact CG2-CG2 3.79Å |
| 131 | L | 98.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 75.2 Ų | 75.2 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.4 | 178.6 | -173.2 | 62.7 | 0 | 0 | 0 | 111 | V35 L36 T37 L92 F107 I109 L133 F137 | V35-L131 PolarHBondContact O-N 3.3Å; L36-L131 WeakPolarHBondContact CA-O 3.44Å; L36-L131 HydrophobicContact CD2-CB 3.89Å; L36-L131 HydrophobicContact CD2-CD2 4.24Å; T37-L131 PolarHBondContact N-O 3.36Å; T37-L131 PolarHBondContact OG1-O 3.03Å; L92-L131 HydrophobicContact CD1-CD2 4.02Å; F107-L131 HydrophobicContact CE2-CD2 4.03Å; F107-L131 HydrophobicContact CZ-CD2 3.8Å; I109-L131 HydrophobicContact CD1-CD2 3.81Å; L131-L133 HydrophobicContact CD2-CD2 4.43Å; L131-F137 HydrophobicContact CD1-CE1 3.78Å; L131-F137 HydrophobicContact CD1-CZ 3.87Å; L131-F137 HydrophobicContact CD2-CE1 4.33Å; L131-F137 HydrophobicContact CD2-CZ 4.22Å; L131-F137 HydrophobicContact CG-CE1 4.36Å; L131-F137 HydrophobicContact CG-CZ 4.07Å |
| 132 | N | 98.3 | Very high | 96.3 | Very high | 69 Ų | 69 | 76.1 Ų | 76.1 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.9 | 173.9 | -174.2 | -2.4 | 0 | 0 | 0 | 110.9 | T37 N39 G134 G135 | T37-N132 WeakPolarHBondContact OG1-CA 3.26Å; N39-N132 PolarHBondContact N-OD1 2.89Å; N39-N132 VanDerWaalsContact N-OD1 3.13Å; N132-G134 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact OD1-N 3.14Å; N132-G135 PolarHBondContact O-N 3.06Å |
| 133 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.9 | -178.2 | -59.4 | -179.9 | 0 | 0 | 0 | 114.1 | L36 T37 A43 V46 L92 H94 C96 F107 L131 | L36-L133 HydrophobicContact CB-CD1 4.1Å; L36-L133 HydrophobicContact CB-CG 4.37Å; L36-L133 HydrophobicContact CD1-CD1 4.31Å; L36-L133 HydrophobicContact CD2-CD2 4.33Å; T37-L133 WeakPolarHBondContact O-CB 3.35Å; T37-L133 WeakPolarHBondContact O-CG 3.04Å; T37-L133 PolarHBondContact O-N 3.28Å; A43-L133 HydrophobicContact CB-CD1 3.83Å; V46-L133 HydrophobicContact CG1-CD1 4.3Å; V46-L133 HydrophobicContact CG2-CD1 3.87Å; L92-L133 HydrophobicContact CD1-CD2 4.49Å; H94-L133 HydrophobicContact CB-CD1 3.75Å; H94-L133 PolarHBondContact CE1-O 2.87Å; C96-L133 HydrophobicContact CB-CB 3.72Å; F107-L133 HydrophobicContact CE1-CD2 3.99Å; F107-L133 HydrophobicContact CZ-CD2 3.95Å; L131-L133 HydrophobicContact CD2-CD2 4.43Å |
| 134 | G | 96.7 | Very high | 95.6 | Very high | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D97 N132 | D97-G134 WeakPolarHBondContact OD2-CA 3.45Å; N132-G134 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact OD1-N 3.14Å |
| 135 | G | 95.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 72.9 Ų | 72.9 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -70.4 | 165.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | N132 | N132-G135 PolarHBondContact O-N 3.06Š|
| 136 | K | 93.8 | Very high | 93.9 | Very high | 202 Ų | 202 | 79.1 Ų | 79.1 | 88% | 0.878 | 44% | 0.443 | S | S | * | . | trans | -99.8 | 129.9 | 167.6 | -68.7 | -173.7 | 177.7 | -178.2 | 0 | 109.2 | ||||
| 137 | F | 95 | Very high | 93.6 | Very high | 55 Ų | 55 | 81.1 Ų | 81.1 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | trans | -108.8 | 151.9 | -177.5 | -60.9 | -78.5 | 0 | 0 | 0 | 111.2 | F107 L131 E140 | F107-F137 HydrophobicContact CB-CB 4.13Å; F107-F137 HydrophobicContact CD1-CB 4.3Å; F107-F137 AromaticContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CE2 4.45Å; F107-F137 HydrophobicContact CD1-CG 4.14Å; F107-F137 HydrophobicContact CD2-CB 3.94Å; F107-F137 HydrophobicContact CD2-CD1 4.24Å; F107-F137 HydrophobicContact CD2-CD2 4.28Å; F107-F137 AromaticContact CD2-CG 3.87Å; F107-F137 HydrophobicContact CD2-CG 3.87Å; F107-F137 AromaticContact CE1-CD2 3.51Å; F107-F137 HydrophobicContact CE1-CD2 3.51Å; F107-F137 AromaticContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CG 4.1Å; F107-F137 HydrophobicContact CE1-CZ 4.47Å; F107-F137 HydrophobicContact CE2-CB 4.37Å; F107-F137 AromaticContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD2 4.01Å; F107-F137 HydrophobicContact CE2-CE1 4.17Å; F107-F137 HydrophobicContact CE2-CE2 4.29Å; F107-F137 AromaticContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CZ 4.37Å; F107-F137 HydrophobicContact CG-CB 3.88Å; F107-F137 HydrophobicContact CG-CD2 4.16Å; F107-F137 HydrophobicContact CG-CG 4.03Å; F107-F137 HydrophobicContact CZ-CD1 4.18Å; F107-F137 AromaticContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CE1 4.19Å; F107-F137 AromaticContact CZ-CE2 3.62Å; F107-F137 HydrophobicContact CZ-CE2 3.62Å; F107-F137 AromaticContact CZ-CG 3.91Å; F107-F137 HydrophobicContact CZ-CG 3.91Å; F107-F137 AromaticContact CZ-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CZ 3.91Å; L131-F137 HydrophobicContact CD1-CE1 3.78Å; L131-F137 HydrophobicContact CD1-CZ 3.87Å; L131-F137 HydrophobicContact CD2-CE1 4.33Å; L131-F137 HydrophobicContact CD2-CZ 4.22Å; L131-F137 HydrophobicContact CG-CE1 4.36Å; L131-F137 HydrophobicContact CG-CZ 4.07Å; F137-E140 HydrophobicContact CB-CB 4.47Å; F137-E140 WeakPolarHBondContact O-CB 3.38Å; F137-E140 PolarHBondContact O-N 2.98Å | ||
| 138 | F | 91.8 | Very high | 93.4 | Very high | 198 Ų | 198 | 81 Ų | 81 | 87% | 0.868 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 139.4 | 174.5 | -169.5 | -92.9 | 0 | 0 | 0 | 109.7 | E140 | F138-E140 PolarHBondContact O-N 2.93Š|
| 139 | D | 88 | Confident | 93.1 | Very high | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.9 | -178.1 | -160.3 | 29.1 | 0 | 0 | 0 | 114 | G141 | D139-G141 PolarHBondContact O-N 2.94Š|
| 140 | E | 94 | Very high | 92.8 | Very high | 61 Ų | 61 | 86.6 Ų | 86.6 | 29% | 0.285 | 48% | 0.482 | S | S | . | . | trans | -66.9 | 119.3 | 173.1 | -172.4 | -177.4 | 179.3 | 0 | 0 | 110.3 | K105 R106 F137 F138 | K105-E140 WeakPolarHBondContact CB-OE1 3.48Å; K105-E140 WeakPolarHBondContact CD-OE1 3.35Å; K105-E140 WeakPolarHBondContact CE-OE1 3.36Å; K105-E140 WeakPolarHBondContact CG-OE1 3.2Å; R106-E140 CarbonylContact O-C 3.5Å; R106-E140 WeakPolarHBondContact O-CA 3.13Å; F137-E140 HydrophobicContact CB-CB 4.47Å; F137-E140 WeakPolarHBondContact O-CB 3.38Å; F137-E140 PolarHBondContact O-N 2.98Å; F138-E140 PolarHBondContact O-N 2.93Å | ||
| 141 | G | 93.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 85.8 Ų | 85.8 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -170.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K105 R106 D139 | K105-G141 WeakPolarHBondContact CA-O 3.4Å; R106-G141 PolarHBondContact N-O 2.8Å; R106-G141 PolarHBondContact O-N 3.38Å; D139-G141 PolarHBondContact O-N 2.94Å |
| 142 | R | 93.4 | Very high | 92.1 | Very high | 144 Ų | 144 | 88.9 Ų | 88.9 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.4 | 171.1 | -65 | -171.8 | -178.3 | -94 | 2.6 | 111.7 | L104 R106 | L104-R142 CarbonylContact O-C 3.57Å; L104-R142 WeakPolarHBondContact O-CA 3.49Å; R106-R142 PolarHBondContact NE-O 3.44Å |
| 143 | E | 91.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 90.3 Ų | 90.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.2 | 167.9 | -179 | 170.4 | 123.2 | 0 | 0 | 108.1 | Y93 C103 L104 | Y93-E143 HydrophobicContact CD1-CB 4.33Å; Y93-E143 HydrophobicContact CE1-CB 4.44Å; Y93-E143 WeakPolarHBondContact CE1-OE2 3.5Å; C103-E143 CarbonylContact C-O 3.53Å; C103-E143 WeakPolarHBondContact CA-O 3.28Å; L104-E143 PolarHBondContact N-O 2.76Å; L104-E143 PolarHBondContact O-N 3.02Å |
| 144 | C | 91.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 48% | 0.48 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.6 | -179 | -53 | 0 | 0 | 0 | 0 | 110.4 | Q102 C103 S146 | Q102-C144 CarbonylContact O-C 3.57Å; Q102-C144 VanDerWaalsContact O-CA 3.23Å; Q102-C144 WeakPolarHBondContact O-CA 3.41Å; C103-C144 HydrophobicContact CB-CB 4.05Å; C103-C144 WeakPolarHBondContact CB-SG 3.45Å; C103-C144 WeakPolarHBondContact SG-CB 3.42Å; C103-C144 CovalentContact SG-SG 2.04Å; C103-C144 PolarHBondContact SG-SG 3.48Å; C144-S146 PolarHBondContact O-N 3.38Å |
| 145 | A | 83.6 | Confident | 90.7 | Very high | 73 Ų | 73 | 103 Ų | 103 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | trans | -63.1 | 131 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q102 | Q102-A145 PolarHBondContact O-N 2.96Š| ||
| 146 | S | 76.5 | Confident | 90.2 | Very high | 191 Ų | 191 | 109.6 Ų | 109.6 | 100% | 1.336 | 58% | 0.582 | S | S | * | * | trans | -66.9 | 0 | 174 | 58.2 | 0 | 0 | 0 | 0 | 112 | C144 | C144-S146 PolarHBondContact O-N 3.38Š|
Retrieved 146 of 146 residues in 275.8 ms
(Link to these results)