| 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 | 52.7 | Low | 62 | Low | 239 Ų | 239 | 129.5 Ų | 129.5 | 100% | 1.177 | 69% | 0.694 | S | S | * | * | 0 | 58.8 | 0 | -71 | 141.2 | 147.4 | 0 | 0 | 110.4 | |||||
| 2 | S | 56 | Low | 62.6 | Low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -130.9 | -11.1 | -168.7 | -32.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | V | 59 | Low | 63 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -81.3 | -32.6 | -174.6 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | C5 K6 | V3-C5 PolarHBondContact O-N 3Å; V3-K6 PolarHBondContact O-N 3Å |
| 4 | M | 60.5 | Low | 63.3 | Low | 150 Ų | 150 | 125.1 Ų | 125.1 | 74% | 0.739 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.5 | -33.6 | -175.6 | -57.4 | -55 | 176.5 | 0 | 0 | 113 | K6 F8 | M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 2.87Å; M4-F8 VanDerWaalsContact O-CD2 3.23Å; M4-F8 WeakPolarHBondContact O-CD2 3.18Å |
| 5 | C | 58.9 | Low | 63.5 | Low | 91 Ų | 91 | 123.9 Ų | 123.9 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.1 | -26.1 | -177.1 | -157.9 | 0 | 0 | 0 | 0 | 113 | V3 | V3-C5 PolarHBondContact O-N 3Å |
| 6 | K | 61 | Low | 63.7 | Low | 167 Ų | 167 | 119.8 Ų | 119.8 | 73% | 0.726 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.1 | -30.8 | -175.2 | -141.2 | 159 | 176.9 | -175.7 | 0 | 112.6 | V3 M4 F10 | V3-K6 PolarHBondContact O-N 3Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 2.87Å; K6-F10 PolarHBondContact O-N 3.31Å |
| 7 | S | 63.2 | Low | 63.5 | Low | 80 Ų | 80 | 119.5 Ų | 119.5 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.7 | -35.7 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | F10 S11 | S7-F10 PolarHBondContact O-N 3.16Å; S7-S11 PolarHBondContact O-N 2.93Å |
| 8 | F | 63.3 | Low | 63.3 | Low | 150 Ų | 150 | 121 Ų | 121 | 66% | 0.658 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.6 | -41.3 | 176.1 | -79.1 | -78.7 | 0 | 0 | 0 | 112.2 | M4 F10 S11 L12 | M4-F8 VanDerWaalsContact O-CD2 3.23Å; M4-F8 WeakPolarHBondContact O-CD2 3.18Å; F8-F10 PolarHBondContact O-N 2.57Å; F8-S11 PolarHBondContact O-N 3.18Å; F8-L12 PolarHBondContact O-N 3.44Å |
| 9 | L | 67.9 | Low | 63 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -39 | 177.1 | -67.9 | 174.8 | 0 | 0 | 0 | 112.4 | L12 F13 | L9-L12 PolarHBondContact O-N 2.95Å; L9-F13 PolarHBondContact O-N 3.39Å; L9-F13 VanDerWaalsContact O-N 3.07Å |
| 10 | F | 66.9 | Low | 62.5 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 176.4 | -164.2 | -99.9 | 0 | 0 | 0 | 111.5 | K6 S7 F8 F13 I14 | K6-F10 PolarHBondContact O-N 3.31Å; S7-F10 PolarHBondContact O-N 3.16Å; F8-F10 PolarHBondContact O-N 2.57Å; F10-F13 PolarHBondContact O-N 3.46Å; F10-I14 HydrophobicContact CD1-CG1 4.13Å; F10-I14 HydrophobicContact CE1-CD1 4.18Å; F10-I14 HydrophobicContact CE1-CG1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CG1 4.47Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 2.81Å |
| 11 | S | 72.5 | Confident | 62.1 | Low | 80 Ų | 80 | 123.9 Ų | 123.9 | 56% | 0.559 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 177.4 | -163 | 0 | 0 | 0 | 0 | 112.7 | S7 F8 F13 I14 L15 | S7-S11 PolarHBondContact O-N 2.93Å; F8-S11 PolarHBondContact O-N 3.18Å; S11-F13 PolarHBondContact O-N 3.11Å; S11-I14 PolarHBondContact O-N 3.31Å; S11-L15 PolarHBondContact O-N 2.97Å |
| 12 | L | 68.9 | Low | 62 | Low | 111 Ų | 111 | 120.8 Ų | 120.8 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63 | -37.7 | 172.9 | -84.7 | 152.3 | 0 | 0 | 0 | 112.9 | F8 L9 L15 S16 | F8-L12 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 2.95Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-S16 PolarHBondContact O-N 2.03Å |
| 13 | F | 68.1 | Low | 61.7 | Low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 176.6 | -122 | -93.7 | 0 | 0 | 0 | 112.8 | L9 F10 S11 S16 M17 | L9-F13 PolarHBondContact O-N 3.39Å; L9-F13 VanDerWaalsContact O-N 3.07Å; F10-F13 PolarHBondContact O-N 3.46Å; S11-F13 PolarHBondContact O-N 3.11Å; F13-S16 PolarHBondContact O-OG 3.32Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.02Å |
| 14 | I | 67.1 | Low | 61.7 | Low | 73 Ų | 73 | 115.9 Ų | 115.9 | 37% | 0.374 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.1 | -41.5 | 175.3 | -66.1 | -62.3 | 0 | 0 | 0 | 110.3 | F10 S11 S16 M17 F18 | F10-I14 HydrophobicContact CD1-CG1 4.13Å; F10-I14 HydrophobicContact CE1-CD1 4.18Å; F10-I14 HydrophobicContact CE1-CG1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CG1 4.47Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 2.81Å; S11-I14 PolarHBondContact O-N 3.31Å; I14-S16 PolarHBondContact O-N 2.97Å; I14-M17 PolarHBondContact O-N 3.46Å; I14-F18 HydrophobicContact CG2-CD2 3.74Å; I14-F18 HydrophobicContact CG2-CE2 3.39Å; I14-F18 WeakPolarHBondContact O-CD2 3.28Å; I14-F18 PolarHBondContact O-N 2.03Å; I14-F18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 66 | Low | 62.3 | Low | 108 Ų | 108 | 115.3 Ų | 115.3 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.6 | -41 | 176.5 | -166.3 | 70.8 | 0 | 0 | 0 | 112.3 | S11 L12 M17 F18 I19 | S11-L15 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-M17 PolarHBondContact O-N 2.9Å; L15-F18 PolarHBondContact O-N 3.19Å; L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CG1 2.96Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-I19 VanDerWaalsContact O-N 3.17Å |
| 16 | S | 67.8 | Low | 63.6 | Low | 57 Ų | 57 | 113.6 Ų | 113.6 | 40% | 0.399 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.2 | -34.9 | 178 | 71.1 | 0 | 0 | 0 | 0 | 113 | L12 F13 I14 I19 T20 | L12-S16 PolarHBondContact O-N 2.03Å; F13-S16 PolarHBondContact O-OG 3.32Å; I14-S16 PolarHBondContact O-N 2.97Å; S16-I19 PolarHBondContact O-N 3.02Å; S16-T20 PolarHBondContact O-N 2.79Å; S16-T20 VanDerWaalsContact O-N 3.08Å; S16-T20 PolarHBondContact O-OG1 3.17Å |
| 17 | M | 60.7 | Low | 65 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -36.3 | 173.9 | -74.8 | -98.5 | 160.4 | 0 | 0 | 112.3 | F13 I14 L15 T20 K21 | F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.02Å; I14-M17 PolarHBondContact O-N 3.46Å; L15-M17 PolarHBondContact O-N 2.9Å; M17-T20 WeakPolarHBondContact CA-OG1 3Å; M17-T20 PolarHBondContact O-OG1 3.17Å; M17-K21 PolarHBondContact O-N 3.41Å; M17-K21 VanDerWaalsContact O-N 3.11Å |
| 18 | F | 58.9 | Low | 66.3 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.4 | -37.4 | 174.6 | -79.8 | -68.2 | 0 | 0 | 0 | 112.5 | I14 L15 | I14-F18 HydrophobicContact CG2-CD2 3.74Å; I14-F18 HydrophobicContact CG2-CE2 3.39Å; I14-F18 WeakPolarHBondContact O-CD2 3.28Å; I14-F18 PolarHBondContact O-N 2.03Å; I14-F18 VanDerWaalsContact O-N 3.11Å; L15-F18 PolarHBondContact O-N 3.19Å |
| 19 | I | 57.4 | Low | 67.7 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.1 | -37.3 | 176.8 | -61.9 | 165.8 | 0 | 0 | 0 | 111.1 | L15 S16 | L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CG1 2.96Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-I19 VanDerWaalsContact O-N 3.17Å; S16-I19 PolarHBondContact O-N 3.02Å |
| 20 | T | 52.5 | Low | 68.9 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 63% | 0.632 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76 | -26.3 | 179.3 | 32.2 | 0 | 0 | 0 | 0 | 113.6 | S16 M17 M22 G23 | S16-T20 PolarHBondContact O-N 2.79Å; S16-T20 VanDerWaalsContact O-N 3.08Å; S16-T20 PolarHBondContact O-OG1 3.17Å; M17-T20 WeakPolarHBondContact CA-OG1 3Å; M17-T20 PolarHBondContact O-OG1 3.17Å; T20-M22 VanDerWaalsContact C-N 3.29Å; T20-M22 PolarHBondContact O-N 3.3Å; T20-G23 PolarHBondContact O-N 2.02Å |
| 21 | K | 54.2 | Low | 70.1 | Confident | 197 Ų | 197 | 103.2 Ų | 103.2 | 86% | 0.857 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77 | -12.9 | 178.2 | -115.8 | -178.3 | 174.3 | 165.7 | 0 | 114.9 | M17 G23 | M17-K21 PolarHBondContact O-N 3.41Å; M17-K21 VanDerWaalsContact O-N 3.11Å; K21-G23 VanDerWaalsContact C-N 3.33Å |
| 22 | M | 50.9 | Low | 71 | Confident | 175 Ų | 175 | 105.8 Ų | 105.8 | 86% | 0.862 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 19.3 | 170.7 | -134.5 | 157.9 | -168.2 | 0 | 0 | 111.9 | T20 | T20-M22 VanDerWaalsContact C-N 3.29Å; T20-M22 PolarHBondContact O-N 3.3Å |
| 23 | G | 50.1 | Low | 72.1 | Confident | 41 Ų | 41 | 100.8 Ų | 100.8 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | trans | -105.5 | 35.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T20 K21 N25 | T20-G23 PolarHBondContact O-N 2.02Å; K21-G23 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-N 3.44Å | ||
| 24 | S | 58.1 | Low | 72.9 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | trans | -72 | 84.8 | 149.2 | 60.4 | 0 | 0 | 0 | 0 | 105.9 | C26 | S24-C26 PolarHBondContact O-N 3.29Š| ||
| 25 | N | 74.4 | Confident | 73.4 | Confident | 138 Ų | 138 | 95.2 Ų | 95.2 | 74% | 0.738 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 121.3 | 168.5 | -69.1 | -28.1 | 0 | 0 | 0 | 106.2 | G23 | G23-N25 PolarHBondContact O-N 3.44Š|
| 26 | C | 86.2 | Confident | 74 | Confident | 54 Ų | 54 | 92.6 Ų | 92.6 | 37% | 0.365 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 155.2 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 108.4 | S24 E28 P40 C42 | S24-C26 PolarHBondContact O-N 3.29Å; C26-E28 PolarHBondContact O-N 3.43Å; C26-P40 CarbonylContact C-O 3.41Å; C26-P40 VanDerWaalsContact CA-O 3.25Å; C26-P40 WeakPolarHBondContact CA-O 3.44Å; C26-C42 VanDerWaalsContact CA-SG 3.55Å; C26-C42 HydrophobicContact CB-CB 3.85Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 3.41Å; C26-C42 WeakPolarHBondContact SG-CA 3.4Å; C26-C42 WeakPolarHBondContact SG-CB 3.32Å; C26-C42 CovalentContact SG-SG 2.02Å; C26-C42 PolarHBondContact SG-SG 2.88Å |
| 27 | K | 89.3 | Confident | 74.3 | Confident | 64 Ų | 64 | 96.7 Ų | 96.7 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 117.4 | -176.2 | -62.7 | -59.1 | -173.4 | -175.4 | 0 | 109.7 | E31 E32 P40 C41 C42 C57 | K27-E31 VanDerWaalsContact CA-OE2 3.29Å; K27-E31 WeakPolarHBondContact CA-OE2 3.47Å; K27-E31 HydrophobicContact CB-CB 4.06Å; K27-E31 HydrophobicContact CD-CB 4.13Å; K27-E32 WeakPolarHBondContact CD-O 3.47Å; K27-E32 WeakPolarHBondContact CE-O 3.02Å; K27-E32 WeakPolarHBondContact CG-O 3.47Å; K27-P40 PolarHBondContact N-O 3.23Å; K27-C41 CarbonylContact O-C 3.58Å; K27-C41 WeakPolarHBondContact O-CA 3.1Å; K27-C42 PolarHBondContact O-N 3.05Å; K27-C57 WeakPolarHBondContact CB-SG 3.45Å |
| 28 | E | 91.9 | Very high | 75 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 166.6 | 174.5 | -72.7 | -74.9 | 108.1 | 0 | 0 | 110.2 | C26 G30 E31 C42 C57 | C26-E28 PolarHBondContact O-N 3.43Å; E28-G30 PolarHBondContact O-N 3.13Å; E28-E31 HydrophobicContact CB-CG 4.09Å; E28-E31 PolarHBondContact N-OE2 2.83Å; E28-E31 WeakPolarHBondContact O-CB 3.4Å; E28-E31 PolarHBondContact O-N 3.11Å; E28-C42 PolarHBondContact OE1-SG 2.03Å; E28-C57 WeakPolarHBondContact O-CB 3.06Å |
| 29 | K | 92.6 | Very high | 75.9 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127 | 179.9 | -174.3 | 178.1 | -177.2 | 164.5 | 0 | 110.9 | E31 L45 D59 | K29-E31 VanDerWaalsContact C-N 3.33Å; K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CB-CD2 4.09Å; K29-L45 HydrophobicContact CG-CD2 4.28Å; K29-D59 WeakPolarHBondContact CE-OD2 3.06Å; K29-D59 IonicContact NZ-OD1 2.77Å; K29-D59 PolarHBondContact NZ-OD1 3.32Å; K29-D59 IonicContact NZ-OD2 2.87Å; K29-D59 PolarHBondContact NZ-OD2 2.81Å |
| 30 | G | 92.3 | Very high | 77.2 | Confident | 43 Ų | 43 | 85.4 Ų | 85.4 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -11.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E28 C57 | E28-G30 PolarHBondContact O-N 3.13Å; G30-C57 PolarHBondContact N-O 2.77Å |
| 31 | E | 92.3 | Very high | 79 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -74.1 | 156.3 | 174.6 | -64.7 | -161.8 | 111.4 | 0 | 0 | 112.2 | K27 E28 K29 K56 C57 | K27-E31 VanDerWaalsContact CA-OE2 3.29Å; K27-E31 WeakPolarHBondContact CA-OE2 3.47Å; K27-E31 HydrophobicContact CB-CB 4.06Å; K27-E31 HydrophobicContact CD-CB 4.13Å; E28-E31 HydrophobicContact CB-CG 4.09Å; E28-E31 PolarHBondContact N-OE2 2.83Å; E28-E31 WeakPolarHBondContact O-CB 3.4Å; E28-E31 PolarHBondContact O-N 3.11Å; K29-E31 VanDerWaalsContact C-N 3.33Å; E31-K56 VanDerWaalsContact O-CA 3.28Å; E31-K56 WeakPolarHBondContact O-CA 3.01Å; E31-C57 PolarHBondContact O-N 3.23Å |
| 32 | E | 91.5 | Very high | 80.7 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 134.2 | -179.6 | -63.9 | -164.4 | 149.1 | 0 | 0 | 112.3 | K27 G55 | K27-E32 WeakPolarHBondContact CD-O 3.47Å; K27-E32 WeakPolarHBondContact CE-O 3.02Å; K27-E32 WeakPolarHBondContact CG-O 3.47Å; E32-G55 WeakPolarHBondContact CA-O 3.06Å |
| 33 | C | 90.9 | Very high | 82.5 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.034 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.7 | 177.3 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | C47 G55 K56 | C33-C47 VanDerWaalsContact C-SG 3.58Å; C33-C47 HydrophobicContact CB-CB 3.9Å; C33-C47 WeakPolarHBondContact CB-SG 3.23Å; C33-C47 WeakPolarHBondContact SG-CA 3.39Å; C33-C47 WeakPolarHBondContact SG-CB 3.44Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.03Å; C33-G55 PolarHBondContact N-O 2.77Å; C33-G55 CarbonylContact O-C 3.56Å; C33-G55 WeakPolarHBondContact O-CA 3.47Å; C33-G55 PolarHBondContact O-N 3.5Å; C33-G55 VanDerWaalsContact SG-C 3.53Å; C33-K56 PolarHBondContact SG-N 2.58Å |
| 34 | S | 86.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | trans | -116.1 | 8.8 | 179.5 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | T36 S39 F53 | S34-T36 PolarHBondContact O-N 2.88Å; S34-T36 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact OG-OG1 2.94Å; S34-S39 PolarHBondContact N-OG 3.04Å; S34-S39 VanDerWaalsContact N-OG 3.1Å; S34-S39 PolarHBondContact OG-OG 2.89Å; S34-F53 VanDerWaalsContact CA-O 3.24Å; S34-F53 WeakPolarHBondContact CA-O 3.04Å; S34-F53 WeakPolarHBondContact CB-O 3.28Å | ||
| 35 | K | 77.7 | Confident | 85.9 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 47.8 | 30.8 | -169.3 | -157.8 | 172.5 | -175.8 | 92.2 | 0 | 112.2 | C47 L49 L68 D72 | K35-C47 HydrophobicContact CB-CB 4.2Å; K35-C47 HydrophobicContact CG-CB 4.46Å; K35-C47 PolarHBondContact N-SG 3Å; K35-C47 VanDerWaalsContact N-SG 3.41Å; K35-L49 HydrophobicContact CB-CD1 3.63Å; K35-L49 HydrophobicContact CD-CD1 3.45Å; K35-L49 VanDerWaalsContact CD-CD1 3.45Å; K35-L49 HydrophobicContact CG-CD1 4.15Å; K35-L68 HydrophobicContact CD-CD1 3.83Å; K35-L68 HydrophobicContact CD-CG 4.36Å; K35-D72 IonicContact NZ-OD2 3Å; K35-D72 PolarHBondContact NZ-OD2 3Å |
| 36 | T | 77.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -105.6 | 159.6 | 169.6 | 65.8 | 0 | 0 | 0 | 0 | 109.1 | S34 A38 S39 F53 | S34-T36 PolarHBondContact O-N 2.88Å; S34-T36 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact OG-OG1 2.94Å; T36-A38 PolarHBondContact O-N 2.03Å; T36-S39 PolarHBondContact O-N 3.5Å; T36-F53 HydrophobicContact CG2-CD1 4.13Å; T36-F53 HydrophobicContact CG2-CE1 4.49Å |
| 37 | V | 74.8 | Confident | 87.1 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 86% | 0.861 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.3 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 38 | A | 75.1 | Confident | 87.2 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T36 | T36-A38 PolarHBondContact O-N 2.03Š|
| 39 | S | 78 | Confident | 87.1 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -140.1 | 64.8 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 112 | S34 T36 | S34-S39 PolarHBondContact N-OG 3.04Å; S34-S39 VanDerWaalsContact N-OG 3.1Å; S34-S39 PolarHBondContact OG-OG 2.89Å; T36-S39 PolarHBondContact O-N 3.5Å |
| 40 | P | 85.2 | Confident | 86.8 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 143.4 | 177.5 | 30.4 | -34.2 | 0 | 0 | 0 | 110.3 | C26 K27 | C26-P40 CarbonylContact C-O 3.41Å; C26-P40 VanDerWaalsContact CA-O 3.25Å; C26-P40 WeakPolarHBondContact CA-O 3.44Å; K27-P40 PolarHBondContact N-O 3.23Å |
| 41 | C | 89.6 | Confident | 86.4 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 151.9 | 169.1 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | K27 L45 C57 | K27-C41 CarbonylContact O-C 3.58Å; K27-C41 WeakPolarHBondContact O-CA 3.1Å; C41-L45 HydrophobicContact CB-CB 3.58Å; C41-L45 WeakPolarHBondContact CB-O 3.48Å; C41-C57 VanDerWaalsContact CA-SG 3.52Å; C41-C57 HydrophobicContact CB-CB 3.75Å; C41-C57 WeakPolarHBondContact CB-SG 3.39Å; C41-C57 VanDerWaalsContact SG-CA 3.54Å; C41-C57 WeakPolarHBondContact SG-CB 3.43Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 3.2Å |
| 42 | C | 90 | Very high | 85.9 | Confident | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.101 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -73.2 | 139.7 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | C26 K27 E28 S44 L45 | C26-C42 VanDerWaalsContact CA-SG 3.55Å; C26-C42 HydrophobicContact CB-CB 3.85Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 3.41Å; C26-C42 WeakPolarHBondContact SG-CA 3.4Å; C26-C42 WeakPolarHBondContact SG-CB 3.32Å; C26-C42 CovalentContact SG-SG 2.02Å; C26-C42 PolarHBondContact SG-SG 2.88Å; K27-C42 PolarHBondContact O-N 3.05Å; E28-C42 PolarHBondContact OE1-SG 2.03Å; C42-S44 PolarHBondContact O-N 3.48Å; C42-L45 HydrophobicContact CB-CD1 4.3Å; C42-L45 WeakPolarHBondContact O-CB 3.18Å; C42-L45 WeakPolarHBondContact O-CD1 3.1Å; C42-L45 VanDerWaalsContact O-CG 3.23Å; C42-L45 WeakPolarHBondContact O-CG 3.38Å; C42-L45 PolarHBondContact O-N 3.5Å; C42-L45 VanDerWaalsContact O-N 3.11Å |
| 43 | G | 88.5 | Confident | 85.5 | Confident | 85 Ų | 85 | 66 Ų | 66 | 88% | 0.876 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -125.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L45 | G43-L45 VanDerWaalsContact C-N 3.34Š|
| 44 | S | 88.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 76% | 0.755 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8 | 179.1 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | C42 | C42-S44 PolarHBondContact O-N 3.48Š|
| 45 | L | 91.9 | Very high | 85.7 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | trans | -70.4 | 146.5 | 179 | -65.7 | 171.4 | 0 | 0 | 0 | 110.7 | K29 C41 C42 G43 C57 V58 | K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CB-CD2 4.09Å; K29-L45 HydrophobicContact CG-CD2 4.28Å; C41-L45 HydrophobicContact CB-CB 3.58Å; C41-L45 WeakPolarHBondContact CB-O 3.48Å; C42-L45 HydrophobicContact CB-CD1 4.3Å; C42-L45 WeakPolarHBondContact O-CB 3.18Å; C42-L45 WeakPolarHBondContact O-CD1 3.1Å; C42-L45 VanDerWaalsContact O-CG 3.23Å; C42-L45 WeakPolarHBondContact O-CG 3.38Å; C42-L45 PolarHBondContact O-N 3.5Å; C42-L45 VanDerWaalsContact O-N 3.11Å; G43-L45 VanDerWaalsContact C-N 3.34Å; L45-C57 HydrophobicContact CB-CB 4.3Å; L45-C57 HydrophobicContact CD1-CB 4.26Å; L45-V58 CarbonylContact C-O 3.48Å; L45-V58 WeakPolarHBondContact CA-O 3.43Å; L45-V58 WeakPolarHBondContact CD2-O 3.34Å | ||
| 46 | V | 92.1 | Very high | 86.5 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.2 | -178.7 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | K48 C57 V58 I61 D72 | V46-K48 PolarHBondContact O-N 2.89Å; V46-C57 WeakPolarHBondContact O-CA 3Å; V46-V58 HydrophobicContact CG2-CG2 3.77Å; V46-V58 WeakPolarHBondContact CG2-O 3.44Å; V46-V58 PolarHBondContact N-O 3.1Å; V46-V58 PolarHBondContact O-N 2.83Å; V46-I61 HydrophobicContact CG2-CG1 3.78Å; V46-D72 HydrophobicContact CB-CB 4.42Å; V46-D72 HydrophobicContact CG1-CB 4.39Å |
| 47 | C | 92.2 | Very high | 87.3 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 105 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | C33 K35 L49 | C33-C47 VanDerWaalsContact C-SG 3.58Å; C33-C47 HydrophobicContact CB-CB 3.9Å; C33-C47 WeakPolarHBondContact CB-SG 3.23Å; C33-C47 WeakPolarHBondContact SG-CA 3.39Å; C33-C47 WeakPolarHBondContact SG-CB 3.44Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.03Å; K35-C47 HydrophobicContact CB-CB 4.2Å; K35-C47 HydrophobicContact CG-CB 4.46Å; K35-C47 PolarHBondContact N-SG 3Å; K35-C47 VanDerWaalsContact N-SG 3.41Å; C47-L49 PolarHBondContact O-N 3.08Å |
| 48 | K | 92.5 | Very high | 88.2 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 108.4 | 171 | 175.8 | -171.2 | 163.2 | -177.1 | 0 | 108.4 | V46 D50 G55 K56 V58 I61 L65 | V46-K48 PolarHBondContact O-N 2.89Å; K48-D50 WeakPolarHBondContact CE-OD1 3.44Å; K48-D50 IonicContact NZ-OD1 3.83Å; K48-G55 CarbonylContact O-C 3.5Å; K48-G55 WeakPolarHBondContact O-CA 3.21Å; K48-K56 PolarHBondContact N-O 3.01Å; K48-K56 PolarHBondContact O-N 3.16Å; K48-V58 HydrophobicContact CB-CG1 4.34Å; K48-V58 HydrophobicContact CB-CG2 3.72Å; K48-I61 HydrophobicContact CB-CG1 4.34Å; K48-L65 HydrophobicContact CD-CD1 4.07Å |
| 49 | L | 89.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127 | 173.3 | -74.2 | 83.5 | 0 | 0 | 0 | 110.1 | K35 C47 R51 | K35-L49 HydrophobicContact CB-CD1 3.63Å; K35-L49 HydrophobicContact CD-CD1 3.45Å; K35-L49 VanDerWaalsContact CD-CD1 3.45Å; K35-L49 HydrophobicContact CG-CD1 4.15Å; C47-L49 PolarHBondContact O-N 3.08Å; L49-R51 WeakPolarHBondContact CD2-O 3.03Å |
| 50 | D | 86 | Confident | 89.8 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -25 | 166.6 | -59.5 | -55.4 | 0 | 0 | 0 | 110.4 | K48 H54 | K48-D50 WeakPolarHBondContact CE-OD1 3.44Å; K48-D50 IonicContact NZ-OD1 3.83Å; D50-H54 PolarHBondContact N-O 2.94Å |
| 51 | R | 83 | Confident | 90.2 | Very high | 190 Ų | 190 | 63.5 Ų | 63.5 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 168.3 | 178.9 | -72.1 | -178.4 | -81.8 | -138.4 | -0.7 | 110.6 | L49 F53 H54 | L49-R51 WeakPolarHBondContact CD2-O 3.03Å; R51-F53 PolarHBondContact O-N 2.02Å; R51-F53 VanDerWaalsContact O-N 3.16Å; R51-H54 HydrophobicContact CB-CB 4.18Å; R51-H54 PolarHBondContact N-O 2.97Å; R51-H54 PolarHBondContact O-N 3.01Å |
| 52 | I | 83.2 | Confident | 90.3 | Very high | 141 Ų | 141 | 63.9 Ų | 63.9 | 72% | 0.723 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 120.7 | 174.5 | -59.4 | 172.1 | 0 | 0 | 0 | 109 | H54 | I52-H54 PolarHBondContact O-CD2 3.2Å; I52-H54 PolarHBondContact O-N 3.22Å; I52-H54 VanDerWaalsContact O-N 3.12Å |
| 53 | F | 83.3 | Confident | 90.3 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 60% | 0.596 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 14.6 | -176 | -55.6 | -64.1 | 0 | 0 | 0 | 116.5 | S34 T36 R51 | S34-F53 VanDerWaalsContact CA-O 3.24Å; S34-F53 WeakPolarHBondContact CA-O 3.04Å; S34-F53 WeakPolarHBondContact CB-O 3.28Å; T36-F53 HydrophobicContact CG2-CD1 4.13Å; T36-F53 HydrophobicContact CG2-CE1 4.49Å; R51-F53 PolarHBondContact O-N 2.02Å; R51-F53 VanDerWaalsContact O-N 3.16Å |
| 54 | H | 88.3 | Confident | 90.4 | Very high | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 123.9 | 177 | -69.8 | -91.1 | 0 | 0 | 0 | 111 | D50 R51 I52 | D50-H54 PolarHBondContact N-O 2.94Å; R51-H54 HydrophobicContact CB-CB 4.18Å; R51-H54 PolarHBondContact N-O 2.97Å; R51-H54 PolarHBondContact O-N 3.01Å; I52-H54 PolarHBondContact O-CD2 3.2Å; I52-H54 PolarHBondContact O-N 3.22Å; I52-H54 VanDerWaalsContact O-N 3.12Å |
| 55 | G | 92.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -173.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | E32 C33 K48 | E32-G55 WeakPolarHBondContact CA-O 3.06Å; C33-G55 PolarHBondContact N-O 2.77Å; C33-G55 CarbonylContact O-C 3.56Å; C33-G55 WeakPolarHBondContact O-CA 3.47Å; C33-G55 PolarHBondContact O-N 3.5Å; C33-G55 VanDerWaalsContact SG-C 3.53Å; K48-G55 CarbonylContact O-C 3.5Å; K48-G55 WeakPolarHBondContact O-CA 3.21Å |
| 56 | K | 93.3 | Very high | 90.3 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149 | 175.6 | -65.7 | -176 | 179.1 | -174.3 | 0 | 111.5 | E31 C33 K48 V58 | E31-K56 VanDerWaalsContact O-CA 3.28Å; E31-K56 WeakPolarHBondContact O-CA 3.01Å; C33-K56 PolarHBondContact SG-N 2.58Å; K48-K56 PolarHBondContact N-O 3.01Å; K48-K56 PolarHBondContact O-N 3.16Å; K56-V58 PolarHBondContact O-N 2.77Å |
| 57 | C | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | K27 E28 G30 E31 C41 L45 V46 | K27-C57 WeakPolarHBondContact CB-SG 3.45Å; E28-C57 WeakPolarHBondContact O-CB 3.06Å; G30-C57 PolarHBondContact N-O 2.77Å; E31-C57 PolarHBondContact O-N 3.23Å; C41-C57 VanDerWaalsContact CA-SG 3.52Å; C41-C57 HydrophobicContact CB-CB 3.75Å; C41-C57 WeakPolarHBondContact CB-SG 3.39Å; C41-C57 VanDerWaalsContact SG-CA 3.54Å; C41-C57 WeakPolarHBondContact SG-CB 3.43Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 3.2Å; L45-C57 HydrophobicContact CB-CB 4.3Å; L45-C57 HydrophobicContact CD1-CB 4.26Å; V46-C57 WeakPolarHBondContact O-CA 3Å |
| 58 | V | 94.6 | Very high | 90 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 165 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | L45 V46 K48 K56 C60 | L45-V58 CarbonylContact C-O 3.48Å; L45-V58 WeakPolarHBondContact CA-O 3.43Å; L45-V58 WeakPolarHBondContact CD2-O 3.34Å; V46-V58 HydrophobicContact CG2-CG2 3.77Å; V46-V58 WeakPolarHBondContact CG2-O 3.44Å; V46-V58 PolarHBondContact N-O 3.1Å; V46-V58 PolarHBondContact O-N 2.83Å; K48-V58 HydrophobicContact CB-CG1 4.34Å; K48-V58 HydrophobicContact CB-CG2 3.72Å; K56-V58 PolarHBondContact O-N 2.77Å; V58-C60 WeakPolarHBondContact CG2-O 2.99Å |
| 59 | D | 94.1 | Very high | 89.7 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -68.9 | -37.5 | 178.8 | -40.2 | -80.1 | 0 | 0 | 0 | 111.7 | K29 | K29-D59 WeakPolarHBondContact CE-OD2 3.06Å; K29-D59 IonicContact NZ-OD1 2.77Å; K29-D59 PolarHBondContact NZ-OD1 3.32Å; K29-D59 IonicContact NZ-OD2 2.87Å; K29-D59 PolarHBondContact NZ-OD2 2.81Å |
| 60 | C | 93.3 | Very high | 89.7 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -159.2 | 157.6 | 176.1 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | V58 C74 | V58-C60 WeakPolarHBondContact CG2-O 2.99Å; C60-C74 VanDerWaalsContact C-SG 3.59Å; C60-C74 HydrophobicContact CB-CB 3.85Å; C60-C74 WeakPolarHBondContact CB-SG 3.3Å; C60-C74 WeakPolarHBondContact SG-CB 3.38Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.94Å |
| 61 | I | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 127.5 | 178.9 | -56.4 | -176.6 | 0 | 0 | 0 | 109.4 | V46 K48 L65 F66 D72 C74 C83 | V46-I61 HydrophobicContact CG2-CG1 3.78Å; K48-I61 HydrophobicContact CB-CG1 4.34Å; I61-L65 HydrophobicContact CG2-CB 3.42Å; I61-L65 VanDerWaalsContact CG2-CB 3.42Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 HydrophobicContact CG2-CG 4.45Å; I61-F66 WeakPolarHBondContact CD1-O 2.95Å; I61-D72 WeakPolarHBondContact CB-O 3.36Å; I61-D72 HydrophobicContact CD1-CB 3.67Å; I61-D72 HydrophobicContact CG1-CB 4.17Å; I61-D72 WeakPolarHBondContact CG1-O 3.34Å; I61-D72 PolarHBondContact N-O 3.23Å; I61-C74 PolarHBondContact O-N 3.43Å; I61-C74 PolarHBondContact O-SG 3.49Å; I61-C74 VanDerWaalsContact O-SG 3.32Å; I61-C83 WeakPolarHBondContact CG2-SG 3.36Å |
| 62 | G | 90.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 62.3 Ų | 62.3 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 170.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L65 C83 | G62-L65 WeakPolarHBondContact O-CB 3.33Å; G62-L65 PolarHBondContact O-N 2.92Å; G62-C83 VanDerWaalsContact O-CB 3.28Å; G62-C83 WeakPolarHBondContact O-CB 3.34Å |
| 63 | F | 91.9 | Very high | 90.5 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 143.8 | -178.3 | -53.7 | -62 | 0 | 0 | 0 | 113.3 | L65 C83 L84 K85 | F63-L65 PolarHBondContact O-N 2.8Å; F63-L65 VanDerWaalsContact O-N 3.17Å; F63-C83 CarbonylContact C-O 3.33Å; F63-C83 WeakPolarHBondContact CA-O 3.3Å; F63-L84 VanDerWaalsContact CD1-O 3.28Å; F63-L84 WeakPolarHBondContact CD1-O 3.48Å; F63-L84 WeakPolarHBondContact CE1-O 2.97Å; F63-K85 HydrophobicContact CD1-CB 4.18Å; F63-K85 VanDerWaalsContact CE1-CA 3.45Å; F63-K85 HydrophobicContact CE1-CB 4.01Å; F63-K85 HydrophobicContact CE1-CG 3.97Å; F63-K85 HydrophobicContact CZ-CG 4Å |
| 64 | G | 88.6 | Confident | 91 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -3.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H82 C83 | G64-H82 PolarHBondContact O-ND1 3.32Å; G64-C83 PolarHBondContact N-O 2.94Å |
| 65 | L | 90.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -88.4 | 156.8 | 178.9 | -68.2 | 166.4 | 0 | 0 | 0 | 111.7 | K48 I61 G62 F63 C67 H82 C83 | K48-L65 HydrophobicContact CD-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CB 3.42Å; I61-L65 VanDerWaalsContact CG2-CB 3.42Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 HydrophobicContact CG2-CG 4.45Å; G62-L65 WeakPolarHBondContact O-CB 3.33Å; G62-L65 PolarHBondContact O-N 2.92Å; F63-L65 PolarHBondContact O-N 2.8Å; F63-L65 VanDerWaalsContact O-N 3.17Å; L65-C67 PolarHBondContact O-N 2.71Å; L65-H82 WeakPolarHBondContact O-CA 3.29Å; L65-C83 PolarHBondContact O-N 3.49Å |
| 66 | F | 89.6 | Confident | 91.2 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 128.9 | -177.6 | -178.2 | -98 | 0 | 0 | 0 | 112 | I61 L68 F81 | I61-F66 WeakPolarHBondContact CD1-O 2.95Å; F66-L68 HydrophobicContact CE1-CD2 3.77Å; F66-L68 HydrophobicContact CE1-CG 3.91Å; F66-L68 HydrophobicContact CE2-CD2 4.47Å; F66-L68 HydrophobicContact CZ-CD2 3.48Å; F66-L68 VanDerWaalsContact CZ-CD2 3.48Å; F66-L68 HydrophobicContact CZ-CG 4.16Å; F66-F81 CarbonylContact C-O 3.59Å; F66-F81 WeakPolarHBondContact CA-O 3.37Å; F66-F81 HydrophobicContact CD2-CB 3.81Å; F66-F81 HydrophobicContact CE2-CB 3.64Å; F66-F81 HydrophobicContact CE2-CD1 4.05Å; F66-F81 HydrophobicContact CE2-CG 4.05Å; F66-F81 HydrophobicContact CZ-CD1 4.37Å |
| 67 | C | 90.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -134.2 | 150.7 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | L65 C73 C78 F81 H82 C83 | L65-C67 PolarHBondContact O-N 2.71Å; C67-C73 VanDerWaalsContact CB-SG 3.51Å; C67-C73 VanDerWaalsContact SG-SG 3.61Å; C67-C78 HydrophobicContact CB-CB 3.89Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 PolarHBondContact O-SG 3.11Å; C67-C78 WeakPolarHBondContact SG-CA 2.93Å; C67-C78 WeakPolarHBondContact SG-CB 3.24Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å; C67-F81 PolarHBondContact N-O 3.06Å; C67-F81 WeakPolarHBondContact O-CA 3.34Å; C67-F81 VanDerWaalsContact SG-C 3.51Å; C67-H82 PolarHBondContact SG-N 3.43Å; C67-H82 VanDerWaalsContact SG-N 3.44Å; C67-H82 PolarHBondContact SG-O 3.25Å; C67-C83 PolarHBondContact SG-N 3.26Å; C67-C83 VanDerWaalsContact SG-N 3.43Å | ||
| 68 | L | 87.1 | Confident | 91.1 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -108.1 | -29.3 | 169.8 | -68.6 | -173.6 | 0 | 0 | 0 | 112 | K35 F66 F81 | K35-L68 HydrophobicContact CD-CD1 3.83Å; K35-L68 HydrophobicContact CD-CG 4.36Å; F66-L68 HydrophobicContact CE1-CD2 3.77Å; F66-L68 HydrophobicContact CE1-CG 3.91Å; F66-L68 HydrophobicContact CE2-CD2 4.47Å; F66-L68 HydrophobicContact CZ-CD2 3.48Å; F66-L68 VanDerWaalsContact CZ-CD2 3.48Å; F66-L68 HydrophobicContact CZ-CG 4.16Å; L68-F81 HydrophobicContact CD2-CD1 4.02Å; L68-F81 HydrophobicContact CD2-CE1 4.22Å |
| 69 | S | 87.7 | Confident | 91 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -124.2 | 146.3 | 177 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | D71 D72 | S69-D71 PolarHBondContact O-N 3.17Å; S69-D71 PolarHBondContact OG-N 3.43Å; S69-D72 PolarHBondContact N-OD2 3.33Å; S69-D72 WeakPolarHBondContact O-CB 3.25Å; S69-D72 PolarHBondContact O-N 2.99Å |
| 70 | G | 88.2 | Confident | 90.9 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -54.9 | -38.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D72 C73 K76 | G70-D72 PolarHBondContact O-N 3.12Å; G70-D72 VanDerWaalsContact O-N 3.16Å; G70-C73 WeakPolarHBondContact O-CB 3.41Å; G70-C73 PolarHBondContact O-N 3.38Å; G70-K76 CarbonylContact O-C 3.59Å; G70-K76 WeakPolarHBondContact O-CA 3.32Å |
| 71 | D | 88.3 | Confident | 90.7 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -62.4 | -23.1 | -179.2 | -79.5 | -61.9 | 0 | 0 | 0 | 115.2 | S69 C73 K76 | S69-D71 PolarHBondContact O-N 3.17Å; S69-D71 PolarHBondContact OG-N 3.43Å; D71-C73 VanDerWaalsContact C-N 3.27Å; D71-K76 PolarHBondContact O-NZ 2.76Å; D71-K76 IonicContact OD1-NZ 2.58Å; D71-K76 PolarHBondContact OD1-NZ 3.11Å |
| 72 | D | 89.6 | Confident | 90.6 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -69.7 | -29.5 | 176.3 | -62.7 | -22.3 | 0 | 0 | 0 | 111.2 | K35 V46 I61 S69 G70 | K35-D72 IonicContact NZ-OD2 3Å; K35-D72 PolarHBondContact NZ-OD2 3Å; V46-D72 HydrophobicContact CB-CB 4.42Å; V46-D72 HydrophobicContact CG1-CB 4.39Å; I61-D72 WeakPolarHBondContact CB-O 3.36Å; I61-D72 HydrophobicContact CD1-CB 3.67Å; I61-D72 HydrophobicContact CG1-CB 4.17Å; I61-D72 WeakPolarHBondContact CG1-O 3.34Å; I61-D72 PolarHBondContact N-O 3.23Å; S69-D72 PolarHBondContact N-OD2 3.33Å; S69-D72 WeakPolarHBondContact O-CB 3.25Å; S69-D72 PolarHBondContact O-N 2.99Å; G70-D72 PolarHBondContact O-N 3.12Å; G70-D72 VanDerWaalsContact O-N 3.16Å |
| 73 | C | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -81.6 | 141.5 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 112 | C67 G70 D71 S75 K76 R77 C83 | C67-C73 VanDerWaalsContact CB-SG 3.51Å; C67-C73 VanDerWaalsContact SG-SG 3.61Å; G70-C73 WeakPolarHBondContact O-CB 3.41Å; G70-C73 PolarHBondContact O-N 3.38Å; D71-C73 VanDerWaalsContact C-N 3.27Å; C73-S75 PolarHBondContact O-N 3.36Å; C73-S75 VanDerWaalsContact O-N 3.11Å; C73-K76 PolarHBondContact O-N 3.49Å; C73-R77 PolarHBondContact SG-O 3.08Å; C73-C83 VanDerWaalsContact CA-SG 3.5Å; C73-C83 HydrophobicContact CB-CB 3.69Å; C73-C83 WeakPolarHBondContact CB-SG 3.23Å; C73-C83 WeakPolarHBondContact SG-CA 3.11Å; C73-C83 WeakPolarHBondContact SG-CB 3.35Å; C73-C83 CovalentContact SG-SG 2.03Å; C73-C83 PolarHBondContact SG-SG 3.38Å |
| 74 | C | 93.3 | Very high | 90.7 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 46% | 0.459 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.3 | 173.4 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | C60 I61 | C60-C74 VanDerWaalsContact C-SG 3.59Å; C60-C74 HydrophobicContact CB-CB 3.85Å; C60-C74 WeakPolarHBondContact CB-SG 3.3Å; C60-C74 WeakPolarHBondContact SG-CB 3.38Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.94Å; I61-C74 PolarHBondContact O-N 3.43Å; I61-C74 PolarHBondContact O-SG 3.49Å; I61-C74 VanDerWaalsContact O-SG 3.32Å |
| 75 | S | 92.6 | Very high | 90.7 | Very high | 27 Ų | 27 | 76.9 Ų | 76.9 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -6 | 176 | 56 | 0 | 0 | 0 | 0 | 115.3 | C73 R77 L84 | C73-S75 PolarHBondContact O-N 3.36Å; C73-S75 VanDerWaalsContact O-N 3.11Å; S75-R77 PolarHBondContact O-N 3.03Å; S75-R77 PolarHBondContact OG-N 3.44Å; S75-L84 WeakPolarHBondContact CB-O 3.28Å; S75-L84 PolarHBondContact OG-O 3.29Å |
| 76 | K | 92.4 | Very high | 90.7 | Very high | 126 Ų | 126 | 77.9 Ų | 77.9 | 55% | 0.548 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 60.1 | 17.7 | -170 | -58.3 | -62.1 | -171.1 | 171.3 | 0 | 114.7 | G70 D71 C73 | G70-K76 CarbonylContact O-C 3.59Å; G70-K76 WeakPolarHBondContact O-CA 3.32Å; D71-K76 PolarHBondContact O-NZ 2.76Å; D71-K76 IonicContact OD1-NZ 2.58Å; D71-K76 PolarHBondContact OD1-NZ 3.11Å; C73-K76 PolarHBondContact O-N 3.49Å |
| 77 | R | 92.4 | Very high | 90.7 | Very high | 154 Ų | 154 | 77.7 Ų | 77.7 | 58% | 0.581 | 39% | 0.385 | S | S | * | . | trans | -123.5 | 107.9 | -177.9 | -68.9 | 175.9 | 176.3 | -173.5 | -4.2 | 111.1 | C73 S75 C83 L84 K85 | C73-R77 PolarHBondContact SG-O 3.08Å; S75-R77 PolarHBondContact O-N 3.03Å; S75-R77 PolarHBondContact OG-N 3.44Å; R77-C83 WeakPolarHBondContact O-CA 3.47Å; R77-L84 HydrophobicContact CB-CB 4.23Å; R77-L84 PolarHBondContact O-N 3.39Å; R77-K85 PolarHBondContact NH1-O 3.02Å | ||
| 78 | C | 92.9 | Very high | 90.8 | Very high | 37 Ų | 37 | 82.1 Ų | 82.1 | 25% | 0.25 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.1 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 109 | C67 | C67-C78 HydrophobicContact CB-CB 3.89Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 PolarHBondContact O-SG 3.11Å; C67-C78 WeakPolarHBondContact SG-CA 2.93Å; C67-C78 WeakPolarHBondContact SG-CB 3.24Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å |
| 79 | L | 93 | Very high | 91 | Very high | 95 Ų | 95 | 80.8 Ų | 80.8 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 139.3 | 177.3 | -165.5 | 74.1 | 0 | 0 | 0 | 109.3 | F81 H82 L84 | L79-F81 PolarHBondContact O-N 3.23Å; L79-H82 PolarHBondContact N-O 3.49Å; L79-H82 PolarHBondContact O-N 3.21Å; L79-H82 VanDerWaalsContact O-O 3.04Å; L79-L84 HydrophobicContact CB-CD1 3.5Å; L79-L84 HydrophobicContact CB-CG 4.1Å; L79-L84 HydrophobicContact CD2-CD1 3.74Å; L79-L84 HydrophobicContact CG-CD1 4.26Å |
| 80 | F | 91.2 | Very high | 91.2 | Very high | 175 Ų | 175 | 82.8 Ų | 82.8 | 77% | 0.768 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 34.8 | -174.7 | -65.5 | -77.7 | 0 | 0 | 0 | 113.2 | H82 | F80-H82 PolarHBondContact O-CD2 3.05Å; F80-H82 PolarHBondContact O-N 3.07Å |
| 81 | F | 89.8 | Confident | 91.4 | Very high | 129 Ų | 129 | 86.9 Ų | 86.9 | 57% | 0.566 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 17.9 | -173.6 | -51.2 | -80.7 | 0 | 0 | 0 | 115.2 | F66 C67 L68 L79 | F66-F81 CarbonylContact C-O 3.59Å; F66-F81 WeakPolarHBondContact CA-O 3.37Å; F66-F81 HydrophobicContact CD2-CB 3.81Å; F66-F81 HydrophobicContact CE2-CB 3.64Å; F66-F81 HydrophobicContact CE2-CD1 4.05Å; F66-F81 HydrophobicContact CE2-CG 4.05Å; F66-F81 HydrophobicContact CZ-CD1 4.37Å; C67-F81 PolarHBondContact N-O 3.06Å; C67-F81 WeakPolarHBondContact O-CA 3.34Å; C67-F81 VanDerWaalsContact SG-C 3.51Å; L68-F81 HydrophobicContact CD2-CD1 4.02Å; L68-F81 HydrophobicContact CD2-CE1 4.22Å; L79-F81 PolarHBondContact O-N 3.23Å |
| 82 | H | 91.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 85.6 Ų | 85.6 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.9 | 176.6 | -67.9 | -81.2 | 0 | 0 | 0 | 112.3 | G64 L65 C67 L79 F80 L84 | G64-H82 PolarHBondContact O-ND1 3.32Å; L65-H82 WeakPolarHBondContact O-CA 3.29Å; C67-H82 PolarHBondContact SG-N 3.43Å; C67-H82 VanDerWaalsContact SG-N 3.44Å; C67-H82 PolarHBondContact SG-O 3.25Å; L79-H82 PolarHBondContact N-O 3.49Å; L79-H82 PolarHBondContact O-N 3.21Å; L79-H82 VanDerWaalsContact O-O 3.04Å; F80-H82 PolarHBondContact O-CD2 3.05Å; F80-H82 PolarHBondContact O-N 3.07Å; H82-L84 PolarHBondContact O-N 3.39Å |
| 83 | C | 92.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 90.5 Ų | 90.5 | 1% | 0.014 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.1 | 173 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | I61 G62 F63 G64 L65 C67 C73 R77 | I61-C83 WeakPolarHBondContact CG2-SG 3.36Å; G62-C83 VanDerWaalsContact O-CB 3.28Å; G62-C83 WeakPolarHBondContact O-CB 3.34Å; F63-C83 CarbonylContact C-O 3.33Å; F63-C83 WeakPolarHBondContact CA-O 3.3Å; G64-C83 PolarHBondContact N-O 2.94Å; L65-C83 PolarHBondContact O-N 3.49Å; C67-C83 PolarHBondContact SG-N 3.26Å; C67-C83 VanDerWaalsContact SG-N 3.43Å; C73-C83 VanDerWaalsContact CA-SG 3.5Å; C73-C83 HydrophobicContact CB-CB 3.69Å; C73-C83 WeakPolarHBondContact CB-SG 3.23Å; C73-C83 WeakPolarHBondContact SG-CA 3.11Å; C73-C83 WeakPolarHBondContact SG-CB 3.35Å; C73-C83 CovalentContact SG-SG 2.03Å; C73-C83 PolarHBondContact SG-SG 3.38Å; R77-C83 WeakPolarHBondContact O-CA 3.47Å |
| 84 | L | 91.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.403 | 46% | 0.462 | S | S | . | . | trans | -96.9 | 166.5 | 177.3 | -66.2 | -175.8 | 0 | 0 | 0 | 111.9 | F63 S75 R77 L79 H82 | F63-L84 VanDerWaalsContact CD1-O 3.28Å; F63-L84 WeakPolarHBondContact CD1-O 3.48Å; F63-L84 WeakPolarHBondContact CE1-O 2.97Å; S75-L84 WeakPolarHBondContact CB-O 3.28Å; S75-L84 PolarHBondContact OG-O 3.29Å; R77-L84 HydrophobicContact CB-CB 4.23Å; R77-L84 PolarHBondContact O-N 3.39Å; L79-L84 HydrophobicContact CB-CD1 3.5Å; L79-L84 HydrophobicContact CB-CG 4.1Å; L79-L84 HydrophobicContact CD2-CD1 3.74Å; L79-L84 HydrophobicContact CG-CD1 4.26Å; H82-L84 PolarHBondContact O-N 3.39Å | ||
| 85 | K | 87.5 | Confident | 91.6 | Very high | 197 Ų | 197 | 100.6 Ų | 100.6 | 86% | 0.857 | 46% | 0.462 | S | S | * | . | trans | -73.6 | 0 | 174.8 | -162 | 172.1 | -179.2 | 176.4 | 0 | 113.5 | F63 R77 | F63-K85 HydrophobicContact CD1-CB 4.18Å; F63-K85 VanDerWaalsContact CE1-CA 3.45Å; F63-K85 HydrophobicContact CE1-CB 4.01Å; F63-K85 HydrophobicContact CE1-CG 3.97Å; F63-K85 HydrophobicContact CZ-CG 4Å; R77-K85 PolarHBondContact NH1-O 3.02Å |
Retrieved 85 of 85 residues in 99.8 ms
(Link to these results)