| 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 | 41.9 | Very low | 37.9 | Very low | 216 Ų | 216 | 140 Ų | 140 | 100% | 1.064 | 70% | 0.702 | S | S | * | * | 0 | -41.2 | 0 | -84.1 | 177.8 | 168.7 | 0 | 0 | 114.4 | L3 L4 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.67Å; M1-L3 VanDerWaalsContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.11Å | |||
| 2 | A | 34.9 | Very low | 38.7 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 65% | 0.645 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -49.4 | -41.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L4 Q5 | A2-L4 PolarHBondContact O-N 3.36Å; A2-Q5 PolarHBondContact O-N 2.85Å |
| 3 | L | 31.2 | Very low | 39.2 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.6 | -21.9 | -178.5 | -82.8 | 155.6 | 0 | 0 | 0 | 115.2 | M1 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.67Å; M1-L3 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 35.2 | Very low | 39.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.7 | -28 | 177.7 | -80.8 | 158.7 | 0 | 0 | 0 | 112.7 | M1 A2 Q6 | M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.11Å; A2-L4 PolarHBondContact O-N 3.36Å; L4-Q6 PolarHBondContact O-N 2.66Å |
| 5 | Q | 36.8 | Very low | 39.8 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.5 | -24.2 | -179.2 | -93.6 | 177.6 | -29 | 0 | 0 | 113.9 | A2 | A2-Q5 PolarHBondContact O-N 2.85Å |
| 6 | Q | 37.4 | Very low | 40.1 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.3 | -42.3 | 176.3 | -77.6 | -177.9 | -30.2 | 0 | 0 | 112.6 | L4 G8 R9 F10 | L4-Q6 PolarHBondContact O-N 2.66Å; Q6-G8 PolarHBondContact O-N 2.77Å; Q6-R9 PolarHBondContact O-N 2.93Å; Q6-F10 PolarHBondContact O-N 3.12Å |
| 7 | R | 36.6 | Very low | 40.1 | Very low | 206 Ų | 206 | 128.1 Ų | 128.1 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.6 | -39 | -179.7 | -73.6 | -172.2 | 172.5 | -171.4 | -2.9 | 112.6 | R9 F10 A11 | R7-R9 PolarHBondContact O-N 3.12Å; R7-F10 PolarHBondContact O-N 3.3Å; R7-A11 PolarHBondContact O-N 3.45Å; R7-A11 VanDerWaalsContact O-N 3.09Å |
| 8 | G | 36.9 | Very low | 39.8 | Very low | 39 Ų | 39 | 127.8 Ų | 127.8 | 40% | 0.402 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.1 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q6 F10 A11 V12 | Q6-G8 PolarHBondContact O-N 2.77Å; G8-F10 PolarHBondContact O-N 2.91Å; G8-A11 PolarHBondContact O-N 3.36Å; G8-V12 WeakPolarHBondContact O-CG2 3.27Å; G8-V12 PolarHBondContact O-N 2.82Å; G8-V12 VanDerWaalsContact O-N 3.07Å |
| 9 | R | 40.8 | Very low | 39.5 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.6 | -31.2 | 178 | -74.5 | -177.3 | 171.8 | -173.1 | -2.4 | 113.3 | Q6 R7 R13 | Q6-R9 PolarHBondContact O-N 2.93Å; R7-R9 PolarHBondContact O-N 3.12Å; R9-R13 WeakPolarHBondContact O-CB 3.17Å; R9-R13 PolarHBondContact O-N 2.76Å; R9-R13 VanDerWaalsContact O-N 3.15Å |
| 10 | F | 41.8 | Very low | 39.1 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.5 | -43.9 | 172 | -99.3 | -87.8 | 0 | 0 | 0 | 112.3 | Q6 R7 G8 V12 R13 A14 | Q6-F10 PolarHBondContact O-N 3.12Å; R7-F10 PolarHBondContact O-N 3.3Å; G8-F10 PolarHBondContact O-N 2.91Å; F10-V12 PolarHBondContact O-N 2.81Å; F10-R13 PolarHBondContact O-N 3.15Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.07Å |
| 11 | A | 43.7 | Very low | 38.6 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.7 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R7 G8 A14 A15 | R7-A11 PolarHBondContact O-N 3.45Å; R7-A11 VanDerWaalsContact O-N 3.09Å; G8-A11 PolarHBondContact O-N 3.36Å; A11-A14 PolarHBondContact O-N 3.41Å; A11-A15 WeakPolarHBondContact O-CB 3.42Å; A11-A15 PolarHBondContact O-N 3.09Å |
| 12 | V | 47.5 | Very low | 37.9 | Very low | 93 Ų | 93 | 121 Ų | 121 | 56% | 0.564 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.6 | -38.1 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 112 | G8 F10 A15 L16 | G8-V12 WeakPolarHBondContact O-CG2 3.27Å; G8-V12 PolarHBondContact O-N 2.82Å; G8-V12 VanDerWaalsContact O-N 3.07Å; F10-V12 PolarHBondContact O-N 2.81Å; V12-A15 PolarHBondContact O-N 3.48Å; V12-L16 HydrophobicContact CG1-CD1 4.13Å; V12-L16 WeakPolarHBondContact O-CD1 3.44Å; V12-L16 PolarHBondContact O-N 2.61Å |
| 13 | R | 44.9 | Very low | 37.6 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66 | -41.9 | 173.2 | -84.7 | -173.9 | 166.4 | -172.3 | -5.7 | 112.5 | R9 F10 L16 F17 | R9-R13 WeakPolarHBondContact O-CB 3.17Å; R9-R13 PolarHBondContact O-N 2.76Å; R9-R13 VanDerWaalsContact O-N 3.15Å; F10-R13 PolarHBondContact O-N 3.15Å; R13-L16 PolarHBondContact O-N 3.15Å; R13-F17 WeakPolarHBondContact O-CD2 3.09Å; R13-F17 PolarHBondContact O-N 2.81Å |
| 14 | A | 44.1 | Very low | 37.2 | Very low | 51 Ų | 51 | 122.7 Ų | 122.7 | 42% | 0.421 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F10 A11 L16 F17 L18 | F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.07Å; A11-A14 PolarHBondContact O-N 3.41Å; A14-L16 PolarHBondContact O-N 2.91Å; A14-F17 PolarHBondContact O-N 3.33Å; A14-L18 WeakPolarHBondContact O-CD1 3.45Å; A14-L18 PolarHBondContact O-N 2.99Å |
| 15 | A | 44 | Very low | 36.8 | Very low | 52 Ų | 52 | 122 Ų | 122 | 43% | 0.43 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A11 V12 L18 L19 | A11-A15 WeakPolarHBondContact O-CB 3.42Å; A11-A15 PolarHBondContact O-N 3.09Å; V12-A15 PolarHBondContact O-N 3.48Å; A15-L18 PolarHBondContact O-N 2.84Å; A15-L19 PolarHBondContact O-N 2.58Å |
| 16 | L | 43.4 | Very low | 36.4 | Very low | 109 Ų | 109 | 121 Ų | 121 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 173 | -100.1 | 75 | 0 | 0 | 0 | 112.2 | V12 R13 A14 L18 L19 C20 | V12-L16 HydrophobicContact CG1-CD1 4.13Å; V12-L16 WeakPolarHBondContact O-CD1 3.44Å; V12-L16 PolarHBondContact O-N 2.61Å; R13-L16 PolarHBondContact O-N 3.15Å; A14-L16 PolarHBondContact O-N 2.91Å; L16-L18 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.04Å; L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 2.81Å |
| 17 | F | 41.1 | Very low | 35.9 | Very low | 142 Ų | 142 | 117 Ų | 117 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.5 | -40.6 | 176 | -96.5 | -89.9 | 0 | 0 | 0 | 112.3 | R13 A14 C20 H21 | R13-F17 WeakPolarHBondContact O-CD2 3.09Å; R13-F17 PolarHBondContact O-N 2.81Å; A14-F17 PolarHBondContact O-N 3.33Å; F17-C20 PolarHBondContact O-N 2.02Å; F17-H21 PolarHBondContact O-CD2 3.08Å; F17-H21 PolarHBondContact O-N 2.98Å |
| 18 | L | 34.9 | Very low | 35.7 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -34.8 | 173 | -92.4 | 111.5 | 0 | 0 | 0 | 113 | A14 A15 L16 L22 | A14-L18 WeakPolarHBondContact O-CD1 3.45Å; A14-L18 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 2.84Å; L16-L18 PolarHBondContact O-N 3.13Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.01Å |
| 19 | L | 33.3 | Very low | 35.7 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.2 | -34.3 | 173.4 | -105.5 | 71.1 | 0 | 0 | 0 | 112.8 | A15 L16 L22 L23 | A15-L19 PolarHBondContact O-N 2.58Å; L16-L19 PolarHBondContact O-N 3.04Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-L23 PolarHBondContact O-N 2.83Å |
| 20 | C | 32.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 112.6 Ų | 112.6 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.8 | -40.6 | 176.2 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | L16 F17 L22 L23 | L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 2.81Å; F17-C20 PolarHBondContact O-N 2.02Å; C20-L22 PolarHBondContact O-N 3.4Å; C20-L23 CarbonylContact O-C 3.57Å; C20-L23 PolarHBondContact O-N 3.4Å |
| 21 | H | 28.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 105.8 Ų | 105.8 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.2 | -14.2 | 173.1 | -75.3 | -63.2 | 0 | 0 | 0 | 113.9 | F17 L23 E24 | F17-H21 PolarHBondContact O-CD2 3.08Å; F17-H21 PolarHBondContact O-N 2.98Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-E24 IonicContact CE1-OE1 2.65Å; H21-E24 IonicContact CG-OE1 3.78Å; H21-E24 IonicContact ND1-OE1 3.66Å; H21-E24 PolarHBondContact ND1-OE1 2.83Å |
| 22 | L | 28 | Very low | 40.1 | Very low | 139 Ų | 139 | 102.8 Ų | 102.8 | 73% | 0.728 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 4.3 | 169.9 | -69.4 | 169 | 0 | 0 | 0 | 113.1 | L18 L19 C20 | L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3.42Å; C20-L22 PolarHBondContact O-N 3.4Å |
| 23 | L | 27.5 | Very low | 42.3 | Very low | 144 Ų | 144 | 98.4 Ų | 98.4 | 75% | 0.754 | 53% | 0.532 | S | S | * | . | trans | -124.4 | 20.1 | 175.9 | -77 | 168.5 | 0 | 0 | 0 | 112.9 | L19 C20 H21 | L19-L23 PolarHBondContact O-N 2.83Å; C20-L23 CarbonylContact O-C 3.57Å; C20-L23 PolarHBondContact O-N 3.4Å; H21-L23 VanDerWaalsContact C-N 3.33Å | ||
| 24 | E | 23.4 | Very low | 44.6 | Very low | 114 Ų | 114 | 89.8 Ų | 89.8 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -64.7 | 126.6 | 161.7 | -73.1 | 177.3 | -153.5 | 0 | 0 | 109.5 | H21 S26 | H21-E24 IonicContact CE1-OE1 2.65Å; H21-E24 IonicContact CG-OE1 3.78Å; H21-E24 IonicContact ND1-OE1 3.66Å; H21-E24 PolarHBondContact ND1-OE1 2.83Å; E24-S26 PolarHBondContact O-N 3.14Å; E24-S26 PolarHBondContact O-OG 2.88Å |
| 25 | P | 27.3 | Very low | 46.8 | Very low | 126 Ų | 126 | 89.4 Ų | 89.4 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | trans | -65.2 | 104.5 | 178.7 | 26.4 | -33.2 | 0 | 0 | 0 | 109.4 | G27 | P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 2.93Å | ||
| 26 | S | 28.4 | Very low | 48.8 | Very low | 130 Ų | 130 | 95.4 Ų | 95.4 | 91% | 0.909 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -71.4 | 78.1 | -168.7 | -39.7 | 0 | 0 | 0 | 0 | 111.9 | E24 | E24-S26 PolarHBondContact O-N 3.14Å; E24-S26 PolarHBondContact O-OG 2.88Å |
| 27 | G | 26.7 | Very low | 50.9 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 54% | 0.536 | 49% | 0.492 | S | S | . | . | trans | 172.9 | 82 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P25 R29 | P25-G27 VanDerWaalsContact C-N 3.28Å; P25-G27 PolarHBondContact O-N 2.93Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3Å | ||
| 28 | L | 30.9 | Very low | 53.3 | Low | 132 Ų | 132 | 88 Ų | 88 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | trans | -51.1 | 100 | 152.9 | -87.5 | 160.4 | 0 | 0 | 0 | 108.4 | A30 | L28-A30 VanDerWaalsContact C-N 3.25Å; L28-A30 PolarHBondContact O-N 2.93Å | ||
| 29 | R | 37.4 | Very low | 56 | Low | 188 Ų | 188 | 82.3 Ų | 82.3 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | trans | -74.6 | 83.1 | 173.1 | -72.6 | -169.9 | 177.7 | -161.9 | 0.3 | 108.4 | G27 Q423 | G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 3Å; R29-Q423 WeakPolarHBondContact O-CA 3.41Å; R29-Q423 VanDerWaalsContact O-CB 3.23Å; R29-Q423 WeakPolarHBondContact O-CB 3.38Å; R29-Q423 WeakPolarHBondContact O-CG 3.49Å | ||
| 30 | A | 48.9 | Very low | 58.9 | Low | 33 Ų | 33 | 81.9 Ų | 81.9 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | trans | -88.3 | 110.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108 | L28 Q423 | L28-A30 VanDerWaalsContact C-N 3.25Å; L28-A30 PolarHBondContact O-N 2.93Å; A30-Q423 VanDerWaalsContact CA-CD 3.44Å | ||
| 31 | F | 78.3 | Confident | 61.9 | Low | 22 Ų | 22 | 78 Ų | 78 | 10% | 0.096 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -76.5 | -50.1 | 177.7 | 78.4 | -92 | 0 | 0 | 0 | 109.6 | V385 N386 I409 H411 A422 Q423 V606 | F31-V385 HydrophobicContact CE2-CG1 4.2Å; F31-V385 HydrophobicContact CZ-CG1 3.71Å; F31-V385 HydrophobicContact CZ-CG2 4.3Å; F31-N386 HydrophobicContact CD2-CB 4.21Å; F31-N386 HydrophobicContact CE2-CB 3.92Å; F31-I409 HydrophobicContact CE1-CB 3.96Å; F31-I409 HydrophobicContact CE1-CG1 4.3Å; F31-I409 HydrophobicContact CE1-CG2 3.65Å; F31-I409 HydrophobicContact CZ-CG2 4.06Å; F31-H411 AromaticContact CD2-CE1 3.64Å; F31-H411 AromaticContact CD2-NE2 3.55Å; F31-H411 AromaticContact CE2-CE1 3.37Å; F31-H411 WeakPolarHBondContact CE2-CE1 3.25Å; F31-H411 AromaticContact CE2-NE2 3.8Å; F31-H411 AromaticContact CG-NE2 3.71Å; F31-H411 AromaticContact CZ-CE1 3.61Å; F31-A422 HydrophobicContact CB-CB 4.43Å; F31-A422 HydrophobicContact CD1-CB 3.57Å; F31-A422 HydrophobicContact CE1-CB 4.16Å; F31-A422 HydrophobicContact CG-CB 4.1Å; F31-Q423 HydrophobicContact CD1-CB 3.43Å; F31-Q423 VanDerWaalsContact CD1-CB 3.43Å; F31-Q423 HydrophobicContact CE1-CB 3.83Å; F31-V606 VanDerWaalsContact O-CG1 3.28Å; F31-V606 WeakPolarHBondContact O-CG1 3.46Å; F31-V606 VanDerWaalsContact O-CG2 3.28Å; F31-V606 WeakPolarHBondContact O-CG2 3.29Å |
| 32 | N | 91.6 | Very high | 65 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -149.7 | -24.4 | 168.7 | 89.8 | -21.7 | 0 | 0 | 0 | 117 | D34 V385 R468 V470 V606 | N32-D34 PolarHBondContact O-N 2.86Å; N32-V385 PolarHBondContact ND2-O 2.87Å; N32-R468 HydrophobicContact CB-CB 4.35Å; N32-R468 WeakPolarHBondContact CB-O 3.23Å; N32-R468 PolarHBondContact ND2-O 3.44Å; N32-R468 WeakPolarHBondContact O-CB 3.37Å; N32-R468 VanDerWaalsContact O-CD 3.27Å; N32-R468 WeakPolarHBondContact O-CD 3.01Å; N32-R468 WeakPolarHBondContact O-CG 3.19Å; N32-R468 PolarHBondContact O-N 3.12Å; N32-V470 HydrophobicContact CB-CG2 3.93Å; N32-V606 HydrophobicContact CB-CG1 3.66Å |
| 33 | L | 94 | Very high | 68.1 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 124.6 | 179.1 | -69.2 | 175.7 | 0 | 0 | 0 | 109.7 | T35 V385 I409 Q423 L425 L453 A467 | L33-T35 PolarHBondContact O-N 2.89Å; L33-V385 HydrophobicContact CD2-CG2 3.95Å; L33-V385 HydrophobicContact CG-CG2 4.41Å; L33-I409 HydrophobicContact CD1-CD1 3.97Å; L33-I409 HydrophobicContact CD1-CG1 3.98Å; L33-Q423 PolarHBondContact O-NE2 2.9Å; L33-L425 HydrophobicContact CD1-CD1 4.3Å; L33-L453 HydrophobicContact CD1-CB 4.18Å; L33-L453 HydrophobicContact CD1-CD2 3.91Å; L33-L453 HydrophobicContact CD2-CB 4.32Å; L33-A467 HydrophobicContact CD2-CB 4.09Å |
| 34 | D | 92.2 | Very high | 71.3 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.053 | 35% | 0.348 | C | S | . | . | trans | -76.9 | 117.2 | -174 | -166.7 | 50.8 | 0 | 0 | 0 | 112.3 | N32 R36 H37 V38 R466 R468 L603 | N32-D34 PolarHBondContact O-N 2.86Å; D34-R36 VanDerWaalsContact C-N 3.32Å; D34-R36 WeakPolarHBondContact OD2-CB 3.45Å; D34-R36 PolarHBondContact OD2-N 2.88Å; D34-H37 IonicContact OD2-CE1 3.74Å; D34-H37 IonicContact OD2-CG 3.92Å; D34-H37 PolarHBondContact OD2-N 3.42Å; D34-H37 IonicContact OD2-ND1 2.65Å; D34-H37 PolarHBondContact OD2-ND1 2.85Å; D34-V38 WeakPolarHBondContact O-CG2 3.26Å; D34-R466 PolarHBondContact N-O 3.43Å; D34-R468 HydrophobicContact CB-CG 3.88Å; D34-L603 HydrophobicContact CB-CD2 4.06Å | ||
| 35 | T | 90.7 | Very high | 74.6 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 27% | 0.27 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -90.3 | 7.7 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | L33 L425 Y465 | L33-T35 PolarHBondContact O-N 2.89Å; T35-L425 HydrophobicContact CG2-CD2 3.84Å; T35-Y465 HydrophobicContact CG2-CE1 4.49Å |
| 36 | R | 86.4 | Confident | 77.8 | Confident | 177 Ų | 177 | 61.2 Ų | 61.2 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -106 | -35 | -172.5 | -64.9 | 174.8 | 168.2 | -120.9 | -13.8 | 113.8 | D34 | D34-R36 VanDerWaalsContact C-N 3.32Å; D34-R36 WeakPolarHBondContact OD2-CB 3.45Å; D34-R36 PolarHBondContact OD2-N 2.88Å |
| 37 | H | 87.8 | Confident | 81 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -122.4 | 47.6 | 179.6 | -42.5 | 86.7 | 0 | 0 | 0 | 109.8 | D34 | D34-H37 IonicContact OD2-CE1 3.74Å; D34-H37 IonicContact OD2-CG 3.92Å; D34-H37 PolarHBondContact OD2-N 3.42Å; D34-H37 IonicContact OD2-ND1 2.65Å; D34-H37 PolarHBondContact OD2-ND1 2.85Å |
| 38 | V | 90.9 | Very high | 84.4 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 124.7 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | D34 F463 Y465 | D34-V38 WeakPolarHBondContact O-CG2 3.26Å; V38-F463 HydrophobicContact CG1-CB 4.03Å; V38-F463 HydrophobicContact CG1-CD1 3.98Å; V38-Y465 HydrophobicContact CB-CE1 4.24Å; V38-Y465 HydrophobicContact CG1-CD1 4.02Å; V38-Y465 HydrophobicContact CG1-CD2 4.32Å; V38-Y465 HydrophobicContact CG1-CE1 3.7Å; V38-Y465 HydrophobicContact CG1-CE2 4.02Å; V38-Y465 HydrophobicContact CG1-CG 4.3Å; V38-Y465 HydrophobicContact CG2-CD1 3.71Å; V38-Y465 HydrophobicContact CG2-CE1 3.42Å; V38-Y465 VanDerWaalsContact CG2-CE1 3.42Å |
| 39 | I | 92.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.9 | 178 | -52.4 | 168.1 | 0 | 0 | 0 | 107.9 | I92 S93 F463 I464 L600 | I39-I92 HydrophobicContact CD1-CG2 4.38Å; I39-S93 WeakPolarHBondContact CG2-O 3.39Å; I39-F463 WeakPolarHBondContact O-CA 3.2Å; I39-I464 HydrophobicContact CB-CB 4.13Å; I39-I464 HydrophobicContact CB-CD1 4.26Å; I39-I464 HydrophobicContact CB-CG1 4.44Å; I39-I464 HydrophobicContact CG2-CD1 4.3Å; I39-I464 PolarHBondContact N-O 2.84Å; I39-I464 VanDerWaalsContact N-O 3.15Å; I39-I464 PolarHBondContact O-N 3.45Å; I39-L600 HydrophobicContact CD1-CD2 3.63Å |
| 40 | R | 93.4 | Very high | 90.4 | Very high | 105 Ų | 105 | 39 Ų | 39 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138.7 | 173.2 | -178.4 | -177.7 | 169.4 | -75.5 | -4 | 110.4 | D96 F463 | R40-D96 IonicContact NH1-OD1 2.72Å; R40-D96 IonicContact NH1-OD2 3.13Å; R40-D96 PolarHBondContact NH1-OD2 3.06Å; R40-F463 HydrophobicContact CB-CD1 4.13Å; R40-F463 HydrophobicContact CB-CE1 3.84Å; R40-F463 HydrophobicContact CB-CZ 4.38Å; R40-F463 HydrophobicContact CG-CD1 4.26Å; R40-F463 HydrophobicContact CG-CE1 3.67Å; R40-F463 HydrophobicContact CG-CE2 4.33Å; R40-F463 HydrophobicContact CG-CZ 3.69Å |
| 41 | K | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.1 | 162.2 | -57.7 | -58.4 | -172.3 | 175.2 | 0 | 109.3 | F49 L66 I68 C90 E91 S93 S95 D96 A461 A462 | K41-F49 HydrophobicContact CB-CE1 4.19Å; K41-F49 HydrophobicContact CB-CZ 4.43Å; K41-L66 HydrophobicContact CG-CD2 4.3Å; K41-I68 HydrophobicContact CB-CD1 4.15Å; K41-C90 HydrophobicContact CD-CB 4.24Å; K41-C90 HydrophobicContact CG-CB 4.29Å; K41-E91 WeakPolarHBondContact CE-O 3.26Å; K41-E91 PolarHBondContact NZ-O 2.93Å; K41-S93 PolarHBondContact NZ-O 2.91Å; K41-S95 PolarHBondContact NZ-O 2.74Å; K41-D96 WeakPolarHBondContact CA-OD1 3.45Å; K41-A461 CarbonylContact O-C 3.59Å; K41-A461 VanDerWaalsContact O-CA 3.26Å; K41-A461 WeakPolarHBondContact O-CA 3.46Å; K41-A462 PolarHBondContact N-O 3.28Å; K41-A462 PolarHBondContact O-N 2.74Å |
| 42 | G | 93.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D96 D460 | G42-D96 PolarHBondContact N-OD1 3.35Å; G42-D460 WeakPolarHBondContact CA-O 3.42Å |
| 43 | G | 93.3 | Very high | 94 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | trans | -106.9 | -171.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F49 D460 | G43-F49 VanDerWaalsContact CA-CG 3.46Å; G43-F49 VanDerWaalsContact N-CD1 3.34Å; G43-D460 PolarHBondContact N-O 3.46Å | ||
| 44 | E | 93.7 | Very high | 94.1 | Very high | 86 Ų | 86 | 38.6 Ų | 38.6 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | trans | -71.3 | 141.1 | 171.1 | -63.5 | -161.3 | 134.3 | 0 | 0 | 111.1 | G46 S47 K74 D460 | E44-G46 PolarHBondContact O-N 2.98Å; E44-S47 VanDerWaalsContact O-CB 3.22Å; E44-S47 WeakPolarHBondContact O-CB 3.34Å; E44-S47 PolarHBondContact O-N 2.75Å; E44-S47 VanDerWaalsContact O-N 3.16Å; E44-S47 PolarHBondContact O-OG 3.07Å; E44-K74 IonicContact OE1-NZ 2.99Å; E44-K74 PolarHBondContact OE1-NZ 2.94Å; E44-K74 WeakPolarHBondContact OE2-CD 3.27Å; E44-K74 VanDerWaalsContact OE2-CE 3.31Å; E44-K74 WeakPolarHBondContact OE2-CE 3.33Å; E44-K74 IonicContact OE2-NZ 3.37Å; E44-K74 PolarHBondContact OE2-NZ 2.77Å; E44-D460 VanDerWaalsContact O-CG 3.28Å | ||
| 45 | P | 93.8 | Very high | 94.4 | Very high | 128 Ų | 128 | 38.7 Ų | 38.7 | 83% | 0.831 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.9 | 178.3 | -27.1 | 35.5 | 0 | 0 | 0 | 113.7 | S47 D460 | P45-S47 VanDerWaalsContact C-N 3.34Å; P45-D460 WeakPolarHBondContact CA-OD2 3.45Å |
| 46 | G | 93.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 4.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E44 L48 R72 D460 | E44-G46 PolarHBondContact O-N 2.98Å; G46-L48 VanDerWaalsContact C-N 3.31Å; G46-R72 WeakPolarHBondContact O-CB 3.28Å; G46-R72 PolarHBondContact O-NH1 2.84Å; G46-D460 VanDerWaalsContact N-CG 3.32Å; G46-D460 PolarHBondContact N-OD1 2.98Å; G46-D460 PolarHBondContact N-OD2 2.81Å |
| 47 | S | 96.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -78.8 | -11.8 | -179.9 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | E44 P45 F49 A70 R72 A73 D460 | E44-S47 VanDerWaalsContact O-CB 3.22Å; E44-S47 WeakPolarHBondContact O-CB 3.34Å; E44-S47 PolarHBondContact O-N 2.75Å; E44-S47 VanDerWaalsContact O-N 3.16Å; E44-S47 PolarHBondContact O-OG 3.07Å; P45-S47 VanDerWaalsContact C-N 3.34Å; S47-F49 PolarHBondContact O-N 3.24Å; S47-F49 WeakPolarHBondContact OG-CB 3.24Å; S47-F49 PolarHBondContact OG-N 3.05Å; S47-A70 CarbonylContact O-C 3.35Å; S47-A70 VanDerWaalsContact O-C 3.24Å; S47-R72 CarbonylContact O-C 3.6Å; S47-R72 WeakPolarHBondContact O-CA 3.11Å; S47-R72 PolarHBondContact O-N 3.11Å; S47-A73 PolarHBondContact O-N 3.05Å; S47-D460 PolarHBondContact N-OD1 3.12Å; S47-D460 PolarHBondContact OG-OD1 3.46Å |
| 48 | L | 96.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | trans | 58.4 | 34.7 | -170.6 | -52.9 | -177.8 | 0 | 0 | 0 | 112.3 | G46 G50 L51 P71 R72 W118 D460 | G46-L48 VanDerWaalsContact C-N 3.31Å; L48-G50 PolarHBondContact O-N 3.12Å; L48-L51 HydrophobicContact CB-CB 4.22Å; L48-L51 HydrophobicContact CB-CD1 4.15Å; L48-L51 HydrophobicContact CD1-CD1 3.92Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-P71 HydrophobicContact CB-CG 4.13Å; L48-P71 HydrophobicContact CD1-CG 4.5Å; L48-R72 HydrophobicContact CD1-CG 3.93Å; L48-R72 HydrophobicContact CG-CB 4.42Å; L48-R72 HydrophobicContact CG-CG 4.21Å; L48-W118 HydrophobicContact CD1-CH2 4.16Å; L48-W118 HydrophobicContact CD1-CZ2 4.31Å; L48-D460 WeakPolarHBondContact CA-OD1 3.35Å; L48-D460 PolarHBondContact N-OD1 2.83Å | ||
| 49 | F | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 123.2 | 173.9 | -179.6 | -85.3 | 0 | 0 | 0 | 110.5 | K41 G43 S47 I68 A70 F88 C98 D460 A461 | K41-F49 HydrophobicContact CB-CE1 4.19Å; K41-F49 HydrophobicContact CB-CZ 4.43Å; G43-F49 VanDerWaalsContact CA-CG 3.46Å; G43-F49 VanDerWaalsContact N-CD1 3.34Å; S47-F49 PolarHBondContact O-N 3.24Å; S47-F49 WeakPolarHBondContact OG-CB 3.24Å; S47-F49 PolarHBondContact OG-N 3.05Å; F49-I68 HydrophobicContact CD1-CD1 4.48Å; F49-I68 HydrophobicContact CD1-CG2 3.92Å; F49-I68 HydrophobicContact CD2-CG2 3.89Å; F49-I68 HydrophobicContact CE1-CD1 3.57Å; F49-I68 HydrophobicContact CE1-CG2 3.95Å; F49-I68 HydrophobicContact CE2-CB 4.19Å; F49-I68 HydrophobicContact CE2-CD1 4.32Å; F49-I68 HydrophobicContact CE2-CG2 3.92Å; F49-I68 HydrophobicContact CG-CG2 3.91Å; F49-I68 HydrophobicContact CZ-CB 4.21Å; F49-I68 HydrophobicContact CZ-CD1 3.49Å; F49-I68 VanDerWaalsContact CZ-CD1 3.49Å; F49-I68 HydrophobicContact CZ-CG1 4.39Å; F49-I68 HydrophobicContact CZ-CG2 3.97Å; F49-A70 HydrophobicContact CB-CB 3.95Å; F49-A70 HydrophobicContact CD2-CB 4.09Å; F49-A70 HydrophobicContact CG-CB 4.47Å; F49-F88 HydrophobicContact CD2-CD2 4.27Å; F49-F88 HydrophobicContact CD2-CG 4.3Å; F49-F88 HydrophobicContact CE2-CB 3.94Å; F49-F88 HydrophobicContact CE2-CD1 4.25Å; F49-F88 HydrophobicContact CE2-CD2 4.36Å; F49-F88 AromaticContact CE2-CG 3.93Å; F49-F88 HydrophobicContact CE2-CG 3.93Å; F49-C98 HydrophobicContact CE2-CB 4.45Å; F49-C98 HydrophobicContact CZ-CB 4.28Å; F49-D460 HydrophobicContact CB-CB 4.34Å; F49-D460 PolarHBondContact N-OD1 2.62Å; F49-D460 CarbonylContact O-C 3.5Å; F49-D460 VanDerWaalsContact O-C 3.28Å; F49-D460 VanDerWaalsContact O-CA 3.29Å; F49-D460 WeakPolarHBondContact O-CA 3.39Å; F49-A461 PolarHBondContact O-N 3.1Å |
| 50 | G | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 7.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | L48 S52 G69 S438 | L48-G50 PolarHBondContact O-N 3.12Å; G50-S52 VanDerWaalsContact C-N 3.31Å; G50-G69 PolarHBondContact N-O 3.02Å; G50-G69 VanDerWaalsContact N-O 3.09Å; G50-S438 PolarHBondContact O-OG 2.85Å |
| 51 | L | 97.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -66.2 | -33.9 | 172.3 | -178 | 147 | 0 | 0 | 0 | 112.2 | L48 P71 W118 V121 Y437 S438 L458 | L48-L51 HydrophobicContact CB-CB 4.22Å; L48-L51 HydrophobicContact CB-CD1 4.15Å; L48-L51 HydrophobicContact CD1-CD1 3.92Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.88Å; L51-P71 HydrophobicContact CB-CG 4.2Å; L51-P71 HydrophobicContact CD1-CG 3.84Å; L51-P71 HydrophobicContact CD2-CG 4.08Å; L51-P71 HydrophobicContact CG-CG 4.26Å; L51-W118 HydrophobicContact CD1-CZ3 4.2Å; L51-V121 HydrophobicContact CD2-CG2 4.29Å; L51-V121 VanDerWaalsContact CD2-O 3.25Å; L51-V121 WeakPolarHBondContact CD2-O 3.27Å; L51-Y437 HydrophobicContact CD1-CE1 4.4Å; L51-Y437 HydrophobicContact CG-CD1 4.44Å; L51-Y437 HydrophobicContact CG-CE1 3.99Å; L51-S438 VanDerWaalsContact O-CB 3.31Å; L51-S438 WeakPolarHBondContact O-CB 3.4Å; L51-L458 HydrophobicContact CB-CD2 4.02Å; L51-L458 HydrophobicContact CD1-CD2 3.96Å; L51-L458 HydrophobicContact CG-CD2 4.11Å |
| 52 | S | 98.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.7 | 169.1 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | G50 G69 G120 V121 V123 | G50-S52 VanDerWaalsContact C-N 3.31Å; S52-G69 PolarHBondContact O-N 2.83Å; S52-G120 PolarHBondContact OG-O 2.85Å; S52-V121 WeakPolarHBondContact CB-O 3.46Å; S52-V121 PolarHBondContact OG-O 3.11Å; S52-V123 WeakPolarHBondContact OG-CG2 3.41Å |
| 53 | L | 98.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.9 | -172.6 | -61.2 | 174.5 | 0 | 0 | 0 | 109.7 | L66 L67 I68 S438 A440 V454 A462 | L53-L66 HydrophobicContact CD2-CD1 4.32Å; L53-L67 WeakPolarHBondContact CA-O 3.29Å; L53-I68 HydrophobicContact CD2-CB 4.38Å; L53-I68 HydrophobicContact CD2-CD1 4.37Å; L53-I68 HydrophobicContact CD2-CG1 3.86Å; L53-I68 HydrophobicContact CD2-CG2 4.17Å; L53-S438 WeakPolarHBondContact CD1-OG 2.98Å; L53-A440 HydrophobicContact CB-CB 3.84Å; L53-V454 HydrophobicContact CD1-CB 4.31Å; L53-V454 HydrophobicContact CD1-CG1 3.85Å; L53-V454 HydrophobicContact CD2-CG1 4.47Å; L53-A462 HydrophobicContact CD2-CB 3.91Å |
| 54 | A | 97.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 148.8 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | L67 V123 | A54-L67 HydrophobicContact CB-CB 4.32Å; A54-L67 PolarHBondContact N-O 2.91Å; A54-L67 WeakPolarHBondContact O-CB 3.4Å; A54-L67 PolarHBondContact O-N 3.31Å; A54-V123 HydrophobicContact CB-CG1 3.95Å |
| 55 | L | 96.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.8 | 173.7 | -63.8 | 175.3 | 0 | 0 | 0 | 109.6 | L66 S125 A440 M443 L445 V454 | L55-L66 HydrophobicContact CD2-CD1 3.9Å; L55-S125 WeakPolarHBondContact O-CB 3.42Å; L55-S125 PolarHBondContact O-OG 2.68Å; L55-A440 HydrophobicContact CD1-CB 4.42Å; L55-A440 HydrophobicContact CG-CB 4.09Å; L55-M443 HydrophobicContact CB-CB 4.14Å; L55-M443 HydrophobicContact CB-CE 4.1Å; L55-M443 HydrophobicContact CB-SD 3.89Å; L55-M443 HydrophobicContact CD1-CB 4Å; L55-L445 HydrophobicContact CD1-CD1 4.39Å; L55-L445 HydrophobicContact CD1-CD2 4.19Å; L55-L445 HydrophobicContact CD2-CD1 3.96Å; L55-L445 HydrophobicContact CD2-CD2 3.88Å; L55-L445 HydrophobicContact CG-CD2 4.45Å; L55-V454 HydrophobicContact CD2-CG2 3.82Å |
| 56 | H | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.9 | -174.2 | -173 | 66.9 | 0 | 0 | 0 | 111.1 | L65 L67 S125 G127 G130 V132 Q158 | H56-L65 PolarHBondContact N-O 3.38Å; H56-L65 PolarHBondContact O-N 2.87Å; H56-L67 HydrophobicContact CB-CD1 3.71Å; H56-L67 HydrophobicContact CB-CG 3.99Å; H56-S125 PolarHBondContact ND1-OG 3.48Å; H56-S125 VanDerWaalsContact ND1-OG 3.08Å; H56-G127 PolarHBondContact CE1-O 2.83Å; H56-G127 PolarHBondContact ND1-O 2.86Å; H56-G130 PolarHBondContact CE1-O 2.82Å; H56-V132 WeakPolarHBondContact ND1-CG2 3.41Å; H56-Q158 PolarHBondContact NE2-O 2.81Å |
| 57 | Q | 93.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 116.4 | 176.3 | 178.3 | -179.2 | 15.7 | 0 | 0 | 109.7 | N62 K63 V64 P128 G129 M443 | Q57-N62 PolarHBondContact NE2-OD1 3.26Å; Q57-K63 CarbonylContact C-O 3.58Å; Q57-K63 WeakPolarHBondContact CA-O 3.39Å; Q57-V64 HydrophobicContact CB-CG2 4.5Å; Q57-V64 HydrophobicContact CG-CG2 4.19Å; Q57-P128 HydrophobicContact CB-CB 4.18Å; Q57-P128 HydrophobicContact CB-CG 4.26Å; Q57-P128 HydrophobicContact CG-CB 4.46Å; Q57-P128 CarbonylContact O-C 3.59Å; Q57-P128 WeakPolarHBondContact O-CA 3.4Å; Q57-G129 PolarHBondContact O-N 2.95Å; Q57-M443 HydrophobicContact CB-SD 4.28Å |
| 58 | Q | 92.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.7 | 169.3 | -41 | -167.1 | -74.7 | 0 | 0 | 108 | P61 N62 K63 L65 Q158 | Q58-P61 CarbonylContact C-O 3.44Å; Q58-P61 WeakPolarHBondContact CB-O 3.45Å; Q58-N62 VanDerWaalsContact O-CA 3.29Å; Q58-N62 WeakPolarHBondContact O-CA 3.47Å; Q58-K63 HydrophobicContact CB-CB 4.24Å; Q58-K63 HydrophobicContact CG-CB 4.21Å; Q58-K63 PolarHBondContact N-O 3.1Å; Q58-K63 PolarHBondContact O-N 3.07Å; Q58-K63 VanDerWaalsContact O-N 3.09Å; Q58-L65 HydrophobicContact CG-CD1 3.88Å; Q58-L65 HydrophobicContact CG-CG 4.5Å; Q58-Q158 WeakPolarHBondContact CG-O 3.21Å; Q58-Q158 PolarHBondContact NE2-O 2.74Å |
| 59 | V | 89.9 | Confident | 94.4 | Very high | 86 Ų | 86 | 29.8 Ų | 29.8 | 52% | 0.521 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -31.8 | -178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | P61 N62 | V59-P61 CarbonylContact C-O 3.44Å; V59-P61 CarbonylContact O-C 3.58Å; V59-N62 PolarHBondContact O-N 2.82Å |
| 60 | S | 84.9 | Confident | 94.4 | Very high | 94 Ų | 94 | 29.7 Ų | 29.7 | 66% | 0.657 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 98.8 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 61 | P | 86.3 | Confident | 94.5 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 51% | 0.513 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -69.3 | 154.6 | -0.9 | 31.1 | -36.5 | 0 | 0 | 0 | 112.2 | Q58 V59 K63 | Q58-P61 CarbonylContact C-O 3.44Å; Q58-P61 WeakPolarHBondContact CB-O 3.45Å; V59-P61 CarbonylContact C-O 3.44Å; V59-P61 CarbonylContact O-C 3.58Å; P61-K63 HydrophobicContact CG-CD 4.4Å; P61-K63 HydrophobicContact CG-CG 4.29Å; P61-K63 PolarHBondContact O-N 3.28Å |
| 62 | N | 88.3 | Confident | 94.5 | Very high | 114 Ų | 114 | 33.8 Ų | 33.8 | 61% | 0.61 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 106.8 | 172.7 | -175.1 | 9.1 | 0 | 0 | 0 | 109.9 | Q57 Q58 V59 | Q57-N62 PolarHBondContact NE2-OD1 3.26Å; Q58-N62 VanDerWaalsContact O-CA 3.29Å; Q58-N62 WeakPolarHBondContact O-CA 3.47Å; V59-N62 PolarHBondContact O-N 2.82Å |
| 63 | K | 89.8 | Confident | 94.4 | Very high | 84 Ų | 84 | 33.3 Ų | 33.3 | 37% | 0.365 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 125.2 | -179.8 | -80.3 | -164.5 | 172.6 | -162.9 | 0 | 110.8 | Q57 Q58 P61 E91 | Q57-K63 CarbonylContact C-O 3.58Å; Q57-K63 WeakPolarHBondContact CA-O 3.39Å; Q58-K63 HydrophobicContact CB-CB 4.24Å; Q58-K63 HydrophobicContact CG-CB 4.21Å; Q58-K63 PolarHBondContact N-O 3.1Å; Q58-K63 PolarHBondContact O-N 3.07Å; Q58-K63 VanDerWaalsContact O-N 3.09Å; P61-K63 HydrophobicContact CG-CD 4.4Å; P61-K63 HydrophobicContact CG-CG 4.29Å; P61-K63 PolarHBondContact O-N 3.28Å; K63-E91 IonicContact NZ-OE1 2.71Å; K63-E91 PolarHBondContact NZ-OE1 3.06Å |
| 64 | V | 92.2 | Very high | 94.3 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.3 | 168.2 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | Q57 I92 M443 L445 | Q57-V64 HydrophobicContact CB-CG2 4.5Å; Q57-V64 HydrophobicContact CG-CG2 4.19Å; V64-I92 HydrophobicContact CB-CG1 4.24Å; V64-I92 HydrophobicContact CG1-CD1 4.5Å; V64-I92 HydrophobicContact CG1-CG1 3.93Å; V64-M443 HydrophobicContact CG1-SD 4.28Å; V64-L445 HydrophobicContact CG1-CB 4.35Å; V64-L445 HydrophobicContact CG1-CD2 3.4Å; V64-L445 HydrophobicContact CG1-CG 4.48Å |
| 65 | L | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.5 | -176.6 | -62.6 | 177.6 | 0 | 0 | 0 | 110.1 | H56 Q58 L67 E91 L160 | H56-L65 PolarHBondContact N-O 3.38Å; H56-L65 PolarHBondContact O-N 2.87Å; Q58-L65 HydrophobicContact CG-CD1 3.88Å; Q58-L65 HydrophobicContact CG-CG 4.5Å; L65-L67 HydrophobicContact CB-CD2 4.43Å; L65-E91 HydrophobicContact CD2-CG 4.04Å; L65-L160 HydrophobicContact CD1-CD1 4.07Å |
| 66 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.9 | 163.4 | 169.9 | 57.9 | 0 | 0 | 0 | 108.4 | K41 L53 L55 I68 C90 I92 V454 I464 | K41-L66 HydrophobicContact CG-CD2 4.3Å; L53-L66 HydrophobicContact CD2-CD1 4.32Å; L55-L66 HydrophobicContact CD2-CD1 3.9Å; L66-I68 HydrophobicContact CD1-CG1 4.21Å; L66-I68 HydrophobicContact CD2-CD1 3.86Å; L66-I68 HydrophobicContact CD2-CG1 4.23Å; L66-I68 HydrophobicContact CG-CD1 3.97Å; L66-I68 HydrophobicContact CG-CG1 3.8Å; L66-C90 HydrophobicContact CB-CB 4.31Å; L66-C90 PolarHBondContact N-O 2.85Å; L66-C90 PolarHBondContact O-N 3.44Å; L66-I92 HydrophobicContact CB-CD1 3.89Å; L66-V454 HydrophobicContact CD1-CB 4.32Å; L66-V454 HydrophobicContact CD1-CG1 3.91Å; L66-V454 HydrophobicContact CD1-CG2 4.17Å; L66-V454 HydrophobicContact CD2-CG1 3.73Å; L66-V454 HydrophobicContact CD2-CG2 4.37Å; L66-V454 HydrophobicContact CG-CG1 4.5Å; L66-I464 HydrophobicContact CD2-CD1 3.96Å; L66-I464 HydrophobicContact CD2-CG1 3.97Å |
| 67 | L | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.7 | 174.9 | -55.3 | -178 | 0 | 0 | 0 | 109.7 | L53 A54 H56 L65 L87 F88 K89 V123 V132 L160 | L53-L67 WeakPolarHBondContact CA-O 3.29Å; A54-L67 HydrophobicContact CB-CB 4.32Å; A54-L67 PolarHBondContact N-O 2.91Å; A54-L67 WeakPolarHBondContact O-CB 3.4Å; A54-L67 PolarHBondContact O-N 3.31Å; H56-L67 HydrophobicContact CB-CD1 3.71Å; H56-L67 HydrophobicContact CB-CG 3.99Å; L65-L67 HydrophobicContact CB-CD2 4.43Å; L67-L87 HydrophobicContact CB-CD1 4.26Å; L67-F88 WeakPolarHBondContact CA-O 3.38Å; L67-K89 HydrophobicContact CD2-CB 3.96Å; L67-V123 HydrophobicContact CB-CG1 4.02Å; L67-V132 HydrophobicContact CD1-CB 4.35Å; L67-V132 HydrophobicContact CD1-CG1 3.59Å; L67-V132 HydrophobicContact CD1-CG2 3.75Å; L67-L160 HydrophobicContact CD1-CD2 4.24Å; L67-L160 HydrophobicContact CD2-CD1 3.88Å; L67-L160 HydrophobicContact CD2-CD2 4.1Å |
| 68 | I | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.4 | -173.3 | -55.1 | -173.9 | 0 | 0 | 0 | 110.2 | K41 F49 L53 L66 F88 A462 | K41-I68 HydrophobicContact CB-CD1 4.15Å; F49-I68 HydrophobicContact CD1-CD1 4.48Å; F49-I68 HydrophobicContact CD1-CG2 3.92Å; F49-I68 HydrophobicContact CD2-CG2 3.89Å; F49-I68 HydrophobicContact CE1-CD1 3.57Å; F49-I68 HydrophobicContact CE1-CG2 3.95Å; F49-I68 HydrophobicContact CE2-CB 4.19Å; F49-I68 HydrophobicContact CE2-CD1 4.32Å; F49-I68 HydrophobicContact CE2-CG2 3.92Å; F49-I68 HydrophobicContact CG-CG2 3.91Å; F49-I68 HydrophobicContact CZ-CB 4.21Å; F49-I68 HydrophobicContact CZ-CD1 3.49Å; F49-I68 VanDerWaalsContact CZ-CD1 3.49Å; F49-I68 HydrophobicContact CZ-CG1 4.39Å; F49-I68 HydrophobicContact CZ-CG2 3.97Å; L53-I68 HydrophobicContact CD2-CB 4.38Å; L53-I68 HydrophobicContact CD2-CD1 4.37Å; L53-I68 HydrophobicContact CD2-CG1 3.86Å; L53-I68 HydrophobicContact CD2-CG2 4.17Å; L66-I68 HydrophobicContact CD1-CG1 4.21Å; L66-I68 HydrophobicContact CD2-CD1 3.86Å; L66-I68 HydrophobicContact CD2-CG1 4.23Å; L66-I68 HydrophobicContact CG-CD1 3.97Å; L66-I68 HydrophobicContact CG-CG1 3.8Å; I68-F88 HydrophobicContact CB-CB 4.47Å; I68-F88 PolarHBondContact N-O 2.05Å; I68-F88 PolarHBondContact O-N 3.01Å; I68-A462 HydrophobicContact CD1-CB 3.78Å |
| 69 | G | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | G50 S52 G120 | G50-G69 PolarHBondContact N-O 3.02Å; G50-G69 VanDerWaalsContact N-O 3.09Å; S52-G69 PolarHBondContact O-N 2.83Å; G69-G120 WeakPolarHBondContact CA-O 3.24Å |
| 70 | A | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 78.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S47 F49 R72 A73 G85 G86 F88 | S47-A70 CarbonylContact O-C 3.35Å; S47-A70 VanDerWaalsContact O-C 3.24Å; F49-A70 HydrophobicContact CB-CB 3.95Å; F49-A70 HydrophobicContact CD2-CB 4.09Å; F49-A70 HydrophobicContact CG-CB 4.47Å; A70-R72 PolarHBondContact O-N 2.85Å; A70-A73 HydrophobicContact CB-CB 4.1Å; A70-A73 VanDerWaalsContact O-CB 3.31Å; A70-A73 WeakPolarHBondContact O-CB 3.49Å; A70-A73 PolarHBondContact O-N 2.81Å; A70-G85 CarbonylContact O-C 3.57Å; A70-G85 VanDerWaalsContact O-CA 3.25Å; A70-G85 WeakPolarHBondContact O-CA 3.37Å; A70-G86 PolarHBondContact N-O 2.8Å; A70-G86 PolarHBondContact O-N 2.82Å; A70-G86 VanDerWaalsContact O-N 3.1Å; A70-F88 HydrophobicContact CB-CD2 3.96Å; A70-F88 HydrophobicContact CB-CE2 3.78Å |
| 71 | P | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.6 | -168.5 | 23.5 | -33.4 | 0 | 0 | 0 | 115.7 | L48 L51 G85 W118 M119 | L48-P71 HydrophobicContact CB-CG 4.13Å; L48-P71 HydrophobicContact CD1-CG 4.5Å; L51-P71 HydrophobicContact CB-CG 4.2Å; L51-P71 HydrophobicContact CD1-CG 3.84Å; L51-P71 HydrophobicContact CD2-CG 4.08Å; L51-P71 HydrophobicContact CG-CG 4.26Å; P71-G85 VanDerWaalsContact C-CA 3.48Å; P71-G85 VanDerWaalsContact O-CA 3.27Å; P71-G85 WeakPolarHBondContact O-CA 3.45Å; P71-W118 HydrophobicContact CB-CB 3.59Å; P71-W118 HydrophobicContact CB-CD2 3.93Å; P71-W118 HydrophobicContact CB-CE3 4.1Å; P71-W118 HydrophobicContact CB-CG 3.73Å; P71-W118 HydrophobicContact CG-CD2 4.4Å; P71-W118 HydrophobicContact CG-CE3 4.19Å; P71-W118 WeakPolarHBondContact O-CA 3.17Å; P71-M119 WeakPolarHBondContact CA-O 3.36Å |
| 72 | R | 97.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 18 | 175.6 | -57.9 | -172.8 | 72.7 | -113.5 | 4.2 | 113.1 | G46 S47 L48 A70 V83 D116 W118 | G46-R72 WeakPolarHBondContact O-CB 3.28Å; G46-R72 PolarHBondContact O-NH1 2.84Å; S47-R72 CarbonylContact O-C 3.6Å; S47-R72 WeakPolarHBondContact O-CA 3.11Å; S47-R72 PolarHBondContact O-N 3.11Å; L48-R72 HydrophobicContact CD1-CG 3.93Å; L48-R72 HydrophobicContact CG-CB 4.42Å; L48-R72 HydrophobicContact CG-CG 4.21Å; A70-R72 PolarHBondContact O-N 2.85Å; R72-V83 HydrophobicContact CB-CG1 4.05Å; R72-V83 WeakPolarHBondContact O-CG1 3.37Å; R72-D116 IonicContact NE-OD1 2.71Å; R72-W118 HydrophobicContact CG-CZ2 4.41Å |
| 73 | A | 97.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -59 | 147.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S47 A70 T84 G85 F88 | S47-A73 PolarHBondContact O-N 3.05Å; A70-A73 HydrophobicContact CB-CB 4.1Å; A70-A73 VanDerWaalsContact O-CB 3.31Å; A70-A73 WeakPolarHBondContact O-CB 3.49Å; A70-A73 PolarHBondContact O-N 2.81Å; A73-T84 PolarHBondContact O-N 2.98Å; A73-G85 PolarHBondContact O-N 2.96Å; A73-F88 HydrophobicContact CB-CE2 4.05Å; A73-F88 HydrophobicContact CB-CZ 4.33Å |
| 74 | K | 96.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 50% | 0.504 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -58.3 | 156.7 | -179.7 | -60.5 | 179.6 | -170.4 | 117.7 | 0 | 112.1 | E44 R100 | E44-K74 IonicContact OE1-NZ 2.99Å; E44-K74 PolarHBondContact OE1-NZ 2.94Å; E44-K74 WeakPolarHBondContact OE2-CD 3.27Å; E44-K74 VanDerWaalsContact OE2-CE 3.31Å; E44-K74 WeakPolarHBondContact OE2-CE 3.33Å; E44-K74 IonicContact OE2-NZ 3.37Å; E44-K74 PolarHBondContact OE2-NZ 2.77Å; K74-R100 VanDerWaalsContact O-CZ 3.25Å; K74-R100 PolarHBondContact O-NH1 2.7Å; K74-R100 PolarHBondContact O-NH2 2.91Å |
| 75 | A | 95.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 158.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q79 S81 S82 T84 | A75-Q79 HydrophobicContact CB-CB 4.14Å; A75-S81 WeakPolarHBondContact CB-O 3.41Å; A75-S82 PolarHBondContact N-O 2.89Å; A75-T84 WeakPolarHBondContact CA-OG1 3.11Å; A75-T84 HydrophobicContact CB-CG2 3.98Å |
| 76 | L | 94.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 156.4 | 168.1 | -70.6 | 162.5 | 0 | 0 | 0 | 110.2 | N78 Q79 F103 N105 | L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 3.38Å; L76-N78 VanDerWaalsContact O-N 3.08Å; L76-Q79 HydrophobicContact CB-CG 4.1Å; L76-Q79 WeakPolarHBondContact O-CB 3.37Å; L76-Q79 PolarHBondContact O-N 2.8Å; L76-F103 WeakPolarHBondContact CD1-O 3.36Å; L76-N105 WeakPolarHBondContact CB-OD1 3.42Å |
| 77 | K | 90.8 | Very high | 96.2 | Very high | 203 Ų | 203 | 39.8 Ų | 39.8 | 88% | 0.883 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.4 | -163.3 | -172.2 | -178 | 174.8 | -171.3 | 0 | 115.5 | ||
| 78 | N | 92.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -13.7 | -179.5 | -67.5 | 2.3 | 0 | 0 | 0 | 113.4 | L76 K80 N105 D106 | L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 3.38Å; L76-N78 VanDerWaalsContact O-N 3.08Å; N78-K80 PolarHBondContact O-NZ 3.09Å; N78-N105 CarbonylContact C-O 3.31Å; N78-N105 VanDerWaalsContact CB-O 3.3Å; N78-N105 WeakPolarHBondContact CB-O 3.49Å; N78-D106 WeakPolarHBondContact CB-OD1 3.21Å; N78-D106 PolarHBondContact ND2-OD1 2.8Å |
| 79 | Q | 93.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | trans | -64.8 | 160.6 | 175.4 | -59.2 | -179.8 | -30.9 | 0 | 0 | 110.4 | A75 L76 T84 D104 N105 E107 | A75-Q79 HydrophobicContact CB-CB 4.14Å; L76-Q79 HydrophobicContact CB-CG 4.1Å; L76-Q79 WeakPolarHBondContact O-CB 3.37Å; L76-Q79 PolarHBondContact O-N 2.8Å; Q79-T84 PolarHBondContact OE1-OG1 2.59Å; Q79-D104 PolarHBondContact NE2-O 2.8Å; Q79-D104 PolarHBondContact NE2-OD2 2.84Å; Q79-N105 WeakPolarHBondContact CG-O 3.26Å; Q79-N105 PolarHBondContact N-O 2.88Å; Q79-E107 HydrophobicContact CB-CB 4.33Å; Q79-E107 HydrophobicContact CG-CB 4.48Å | ||
| 80 | K | 94.3 | Very high | 96 | Very high | 144 Ų | 144 | 44.6 Ų | 44.6 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -107.1 | -27.8 | -179.4 | -56.7 | -64.2 | 173.7 | -92.1 | 0 | 111.7 | N78 E107 P109 | N78-K80 PolarHBondContact O-NZ 3.09Å; K80-E107 WeakPolarHBondContact CA-OE2 3.34Å; K80-E107 PolarHBondContact N-OE2 2.66Å; K80-P109 HydrophobicContact CB-CG 3.96Å; K80-P109 HydrophobicContact CG-CG 3.83Å |
| 81 | S | 95.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -59.9 | 159.3 | 165.8 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | A75 E107 E115 | A75-S81 WeakPolarHBondContact CB-O 3.41Å; S81-E107 WeakPolarHBondContact CB-OE2 3.49Å; S81-E107 PolarHBondContact N-OE2 2.9Å; S81-E107 PolarHBondContact OG-OE1 2.69Å; S81-E107 PolarHBondContact OG-OE2 2.83Å; S81-E115 WeakPolarHBondContact CB-OE2 3.3Å; S81-E115 PolarHBondContact OG-N 2.88Å |
| 82 | S | 95.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -97.5 | -36.1 | -178.9 | 86.8 | 0 | 0 | 0 | 0 | 113 | A75 E115 | A75-S82 PolarHBondContact N-O 2.89Å; S82-E115 WeakPolarHBondContact CA-OE2 3.48Å; S82-E115 PolarHBondContact N-OE2 2.92Å; S82-E115 PolarHBondContact OG-OE1 2.82Å; S82-E115 PolarHBondContact OG-OE2 2.88Å |
| 83 | V | 97.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 115.3 | -177.8 | 172.3 | 0 | 0 | 0 | 0 | 108.3 | R72 E115 D116 | R72-V83 HydrophobicContact CB-CG1 4.05Å; R72-V83 WeakPolarHBondContact O-CG1 3.37Å; V83-E115 PolarHBondContact N-OE2 2.84Å; V83-E115 WeakPolarHBondContact O-CA 3.12Å; V83-D116 PolarHBondContact O-N 2.9Å |
| 84 | T | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -126.1 | -11.2 | -175.8 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | A73 A75 Q79 K114 Q117 M119 | A73-T84 PolarHBondContact O-N 2.98Å; A75-T84 WeakPolarHBondContact CA-OG1 3.11Å; A75-T84 HydrophobicContact CB-CG2 3.98Å; Q79-T84 PolarHBondContact OE1-OG1 2.59Å; T84-K114 HydrophobicContact CG2-CB 3.68Å; T84-Q117 WeakPolarHBondContact O-CG 3.31Å; T84-Q117 PolarHBondContact O-NE2 2.96Å; T84-Q117 VanDerWaalsContact O-NE2 3.11Å; T84-M119 WeakPolarHBondContact O-CB 3.08Å; T84-M119 PolarHBondContact O-N 3.03Å | ||
| 85 | G | 97.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | 79.7 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A70 P71 A73 R100 M119 | A70-G85 CarbonylContact O-C 3.57Å; A70-G85 VanDerWaalsContact O-CA 3.25Å; A70-G85 WeakPolarHBondContact O-CA 3.37Å; P71-G85 VanDerWaalsContact C-CA 3.48Å; P71-G85 VanDerWaalsContact O-CA 3.27Å; P71-G85 WeakPolarHBondContact O-CA 3.45Å; A73-G85 PolarHBondContact O-N 2.96Å; G85-R100 PolarHBondContact O-NH2 2.84Å; G85-M119 CarbonylContact C-O 3.58Å; G85-M119 WeakPolarHBondContact CA-O 3.35Å |
| 86 | G | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 162.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A70 M119 | A70-G86 PolarHBondContact N-O 2.8Å; A70-G86 PolarHBondContact O-N 2.82Å; A70-G86 VanDerWaalsContact O-N 3.1Å; G86-M119 PolarHBondContact N-O 2.96Å |
| 87 | L | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.4 | 166.1 | 177.7 | 63 | 0 | 0 | 0 | 109.2 | L67 V101 F103 V123 V132 T134 F156 | L67-L87 HydrophobicContact CB-CD1 4.26Å; L87-V101 HydrophobicContact CB-CB 4.39Å; L87-V101 HydrophobicContact CB-CG2 4.4Å; L87-V101 HydrophobicContact CD2-CB 4.38Å; L87-V101 HydrophobicContact CD2-CG2 4.01Å; L87-V101 HydrophobicContact CG-CB 4.39Å; L87-V101 HydrophobicContact CG-CG2 3.92Å; L87-V101 PolarHBondContact O-N 2.88Å; L87-F103 HydrophobicContact CB-CE1 4.14Å; L87-F103 HydrophobicContact CB-CZ 4.48Å; L87-V123 HydrophobicContact CD1-CB 4.36Å; L87-V123 HydrophobicContact CD1-CG1 3.64Å; L87-V123 HydrophobicContact CD1-CG2 3.7Å; L87-V132 HydrophobicContact CD2-CG1 4.38Å; L87-T134 HydrophobicContact CB-CG2 4.49Å; L87-T134 HydrophobicContact CD2-CG2 4.39Å; L87-F156 HydrophobicContact CD2-CD2 4.33Å; L87-F156 HydrophobicContact CD2-CE2 3.72Å; L87-F156 HydrophobicContact CD2-CZ 4.38Å |
| 88 | F | 97.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 47 Ų | 47 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.4 | 174 | -69.9 | -103.5 | 0 | 0 | 0 | 110.2 | F49 L67 I68 A70 A73 E99 R100 | F49-F88 HydrophobicContact CD2-CD2 4.27Å; F49-F88 HydrophobicContact CD2-CG 4.3Å; F49-F88 HydrophobicContact CE2-CB 3.94Å; F49-F88 HydrophobicContact CE2-CD1 4.25Å; F49-F88 HydrophobicContact CE2-CD2 4.36Å; F49-F88 AromaticContact CE2-CG 3.93Å; F49-F88 HydrophobicContact CE2-CG 3.93Å; L67-F88 WeakPolarHBondContact CA-O 3.38Å; I68-F88 HydrophobicContact CB-CB 4.47Å; I68-F88 PolarHBondContact N-O 2.05Å; I68-F88 PolarHBondContact O-N 3.01Å; A70-F88 HydrophobicContact CB-CD2 3.96Å; A70-F88 HydrophobicContact CB-CE2 3.78Å; A73-F88 HydrophobicContact CB-CE2 4.05Å; A73-F88 HydrophobicContact CB-CZ 4.33Å; F88-E99 CarbonylContact C-O 3.57Å; F88-E99 VanDerWaalsContact CA-O 3.26Å; F88-E99 WeakPolarHBondContact CA-O 3.43Å; F88-R100 HydrophobicContact CD1-CB 4.08Å; F88-R100 HydrophobicContact CE1-CB 3.78Å; F88-R100 HydrophobicContact CE1-CG 4.23Å; F88-R100 HydrophobicContact CE2-CG 4.31Å; F88-R100 HydrophobicContact CZ-CB 4.11Å; F88-R100 HydrophobicContact CZ-CG 4.06Å |
| 89 | K | 96.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.8 | 172.8 | 59.4 | 177.5 | -175.5 | 166.5 | 0 | 109 | L67 C98 E99 V101 L160 | L67-K89 HydrophobicContact CD2-CB 3.96Å; K89-C98 CarbonylContact O-C 3.54Å; K89-C98 WeakPolarHBondContact O-CA 3.46Å; K89-E99 WeakPolarHBondContact CE-OE2 3.45Å; K89-E99 HydrophobicContact CG-CB 4.09Å; K89-E99 PolarHBondContact N-O 3.4Å; K89-E99 IonicContact NZ-OE2 2.69Å; K89-E99 PolarHBondContact NZ-OE2 3.2Å; K89-E99 PolarHBondContact O-N 2.97Å; K89-V101 HydrophobicContact CB-CG2 4.43Å; K89-V101 HydrophobicContact CD-CG2 4.39Å; K89-V101 HydrophobicContact CG-CG2 4.27Å; K89-L160 HydrophobicContact CB-CD1 3.78Å; K89-L160 HydrophobicContact CD-CD1 3.7Å; K89-L160 HydrophobicContact CG-CD1 4.24Å |
| 90 | C | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.2 | -178.6 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | K41 L66 C98 | K41-C90 HydrophobicContact CD-CB 4.24Å; K41-C90 HydrophobicContact CG-CB 4.29Å; L66-C90 HydrophobicContact CB-CB 4.31Å; L66-C90 PolarHBondContact N-O 2.85Å; L66-C90 PolarHBondContact O-N 3.44Å; C90-C98 HydrophobicContact CB-CB 4.13Å; C90-C98 WeakPolarHBondContact CB-SG 3.4Å; C90-C98 WeakPolarHBondContact SG-CB 3.48Å; C90-C98 CovalentContact SG-SG 2.03Å; C90-C98 PolarHBondContact SG-SG 3.24Å |
| 91 | E | 91.3 | Very high | 92.8 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 142.2 | 171.3 | -62.3 | -164.7 | 149.6 | 0 | 0 | 110.7 | K41 K63 L65 S93 | K41-E91 WeakPolarHBondContact CE-O 3.26Å; K41-E91 PolarHBondContact NZ-O 2.93Å; K63-E91 IonicContact NZ-OE1 2.71Å; K63-E91 PolarHBondContact NZ-OE1 3.06Å; L65-E91 HydrophobicContact CD2-CG 4.04Å; E91-S93 PolarHBondContact O-N 2.81Å; E91-S93 PolarHBondContact O-OG 2.81Å |
| 92 | I | 90.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.2 | 89.8 | -179.2 | -45.6 | -58.4 | 0 | 0 | 0 | 109.7 | I39 V64 L66 L445 I464 L600 | I39-I92 HydrophobicContact CD1-CG2 4.38Å; V64-I92 HydrophobicContact CB-CG1 4.24Å; V64-I92 HydrophobicContact CG1-CD1 4.5Å; V64-I92 HydrophobicContact CG1-CG1 3.93Å; L66-I92 HydrophobicContact CB-CD1 3.89Å; I92-L445 HydrophobicContact CD1-CD1 4.36Å; I92-L445 HydrophobicContact CG1-CB 4.25Å; I92-L445 HydrophobicContact CG2-CB 4.07Å; I92-I464 HydrophobicContact CD1-CD1 4.05Å; I92-I464 HydrophobicContact CG2-CD1 4.44Å; I92-L600 HydrophobicContact CG2-CD1 4.1Å |
| 93 | S | 87.3 | Confident | 92.5 | Very high | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -154.7 | 157.2 | -176.8 | 66 | 0 | 0 | 0 | 0 | 110.9 | I39 K41 E91 S95 | I39-S93 WeakPolarHBondContact CG2-O 3.39Å; K41-S93 PolarHBondContact NZ-O 2.91Å; E91-S93 PolarHBondContact O-N 2.81Å; E91-S93 PolarHBondContact O-OG 2.81Å; S93-S95 PolarHBondContact O-N 2.56Å; S93-S95 PolarHBondContact OG-OG 3.03Å |
| 94 | E | 82 | Confident | 92.2 | Very high | 100 Ų | 100 | 48 Ų | 48 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -63.3 | 0.1 | 175.1 | -53.3 | -82.3 | -171.2 | 0 | 0 | 113.4 | L600 S601 | E94-L600 HydrophobicContact CG-CD2 4.44Å; E94-S601 PolarHBondContact OE1-OG 3.15Å |
| 95 | S | 83.6 | Confident | 91.9 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -89.7 | 143.1 | 176 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | K41 S93 N97 | K41-S95 PolarHBondContact NZ-O 2.74Å; S93-S95 PolarHBondContact O-N 2.56Å; S93-S95 PolarHBondContact OG-OG 3.03Å; S95-N97 PolarHBondContact O-N 2.8Å |
| 96 | D | 82.4 | Confident | 91.6 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | trans | -79.9 | 23.7 | 177.2 | -146.9 | -3.1 | 0 | 0 | 0 | 112.5 | R40 K41 G42 | R40-D96 IonicContact NH1-OD1 2.72Å; R40-D96 IonicContact NH1-OD2 3.13Å; R40-D96 PolarHBondContact NH1-OD2 3.06Å; K41-D96 WeakPolarHBondContact CA-OD1 3.45Å; G42-D96 PolarHBondContact N-OD1 3.35Å | ||
| 97 | N | 84.2 | Confident | 91.4 | Very high | 121 Ų | 121 | 56.2 Ų | 56.2 | 65% | 0.647 | 28% | 0.283 | S | S | * | . | trans | -83.6 | 118.2 | -176.2 | -69.3 | 0.4 | 0 | 0 | 0 | 110.8 | S95 | S95-N97 PolarHBondContact O-N 2.8Š| ||
| 98 | C | 94.3 | Very high | 91.2 | Very high | 31 Ų | 31 | 59 Ų | 59 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.8 | 169.9 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | F49 K89 C90 | F49-C98 HydrophobicContact CE2-CB 4.45Å; F49-C98 HydrophobicContact CZ-CB 4.28Å; K89-C98 CarbonylContact O-C 3.54Å; K89-C98 WeakPolarHBondContact O-CA 3.46Å; C90-C98 HydrophobicContact CB-CB 4.13Å; C90-C98 WeakPolarHBondContact CB-SG 3.4Å; C90-C98 WeakPolarHBondContact SG-CB 3.48Å; C90-C98 CovalentContact SG-SG 2.03Å; C90-C98 PolarHBondContact SG-SG 3.24Å |
| 99 | E | 95.4 | Very high | 90.9 | Very high | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.1 | 179.6 | -67.8 | 179 | 179.6 | 0 | 0 | 110 | F88 K89 | F88-E99 CarbonylContact C-O 3.57Å; F88-E99 VanDerWaalsContact CA-O 3.26Å; F88-E99 WeakPolarHBondContact CA-O 3.43Å; K89-E99 WeakPolarHBondContact CE-OE2 3.45Å; K89-E99 HydrophobicContact CG-CB 4.09Å; K89-E99 PolarHBondContact N-O 3.4Å; K89-E99 IonicContact NZ-OE2 2.69Å; K89-E99 PolarHBondContact NZ-OE2 3.2Å; K89-E99 PolarHBondContact O-N 2.97Å |
| 100 | R | 95.8 | Very high | 90.7 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 139.8 | 169 | -166.6 | -179.7 | -172.9 | 161 | 7 | 109.3 | K74 G85 F88 | K74-R100 VanDerWaalsContact O-CZ 3.25Å; K74-R100 PolarHBondContact O-NH1 2.7Å; K74-R100 PolarHBondContact O-NH2 2.91Å; G85-R100 PolarHBondContact O-NH2 2.84Å; F88-R100 HydrophobicContact CD1-CB 4.08Å; F88-R100 HydrophobicContact CE1-CB 3.78Å; F88-R100 HydrophobicContact CE1-CG 4.23Å; F88-R100 HydrophobicContact CE2-CG 4.31Å; F88-R100 HydrophobicContact CZ-CB 4.11Å; F88-R100 HydrophobicContact CZ-CG 4.06Å |
| 101 | V | 95.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 121.9 | 167.6 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | L87 K89 F103 F156 L160 | L87-V101 HydrophobicContact CB-CB 4.39Å; L87-V101 HydrophobicContact CB-CG2 4.4Å; L87-V101 HydrophobicContact CD2-CB 4.38Å; L87-V101 HydrophobicContact CD2-CG2 4.01Å; L87-V101 HydrophobicContact CG-CB 4.39Å; L87-V101 HydrophobicContact CG-CG2 3.92Å; L87-V101 PolarHBondContact O-N 2.88Å; K89-V101 HydrophobicContact CB-CG2 4.43Å; K89-V101 HydrophobicContact CD-CG2 4.39Å; K89-V101 HydrophobicContact CG-CG2 4.27Å; V101-F103 HydrophobicContact CB-CD1 4.29Å; V101-F103 HydrophobicContact CB-CE1 4.31Å; V101-F103 HydrophobicContact CG1-CD1 4.03Å; V101-F103 HydrophobicContact CG1-CE1 4.42Å; V101-F103 VanDerWaalsContact O-CD1 3.3Å; V101-F103 WeakPolarHBondContact O-CD1 3.48Å; V101-F156 HydrophobicContact CG1-CE1 4.45Å; V101-L160 HydrophobicContact CG1-CB 4.29Å; V101-L160 HydrophobicContact CG2-CB 4.49Å; V101-L160 HydrophobicContact CG2-CD1 4.22Å |
| 102 | E | 92.8 | Very high | 90.6 | Very high | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | trans | -89.7 | 114.3 | -178.9 | -66 | -165.4 | 168.1 | 0 | 0 | 111.6 | ||||
| 103 | F | 91.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | trans | -155.1 | 166.6 | 174.1 | 62.4 | -76.9 | 0 | 0 | 0 | 108.1 | L76 L87 V101 N105 M119 T134 Y154 F156 I162 | L76-F103 WeakPolarHBondContact CD1-O 3.36Å; L87-F103 HydrophobicContact CB-CE1 4.14Å; L87-F103 HydrophobicContact CB-CZ 4.48Å; V101-F103 HydrophobicContact CB-CD1 4.29Å; V101-F103 HydrophobicContact CB-CE1 4.31Å; V101-F103 HydrophobicContact CG1-CD1 4.03Å; V101-F103 HydrophobicContact CG1-CE1 4.42Å; V101-F103 VanDerWaalsContact O-CD1 3.3Å; V101-F103 WeakPolarHBondContact O-CD1 3.48Å; F103-N105 PolarHBondContact O-N 2.87Å; F103-M119 HydrophobicContact CE2-CE 3.94Å; F103-M119 HydrophobicContact CE2-CG 4.09Å; F103-M119 HydrophobicContact CE2-SD 3.82Å; F103-M119 HydrophobicContact CZ-CG 3.82Å; F103-M119 HydrophobicContact CZ-SD 3.97Å; F103-T134 HydrophobicContact CE2-CG2 4.09Å; F103-T134 HydrophobicContact CZ-CG2 3.68Å; F103-Y154 HydrophobicContact CD2-CD1 4.15Å; F103-Y154 AromaticContact CD2-CD2 3.76Å; F103-Y154 HydrophobicContact CD2-CD2 3.76Å; F103-Y154 HydrophobicContact CD2-CE1 4.46Å; F103-Y154 HydrophobicContact CD2-CE2 4.09Å; F103-Y154 AromaticContact CD2-CG 3.79Å; F103-Y154 HydrophobicContact CD2-CG 3.79Å; F103-Y154 AromaticContact CE2-CD2 3.54Å; F103-Y154 HydrophobicContact CE2-CD2 3.54Å; F103-Y154 HydrophobicContact CE2-CE2 4.1Å; F103-Y154 AromaticContact CE2-CG 3.87Å; F103-Y154 HydrophobicContact CE2-CG 3.87Å; F103-F156 HydrophobicContact CB-CE1 4.2Å; F103-F156 AromaticContact CD1-CE1 3.95Å; F103-F156 HydrophobicContact CD1-CE1 3.95Å; F103-F156 AromaticContact CD1-CZ 3.74Å; F103-F156 HydrophobicContact CD1-CZ 3.74Å; F103-F156 HydrophobicContact CD2-CE1 4.3Å; F103-F156 HydrophobicContact CD2-CZ 4.06Å; F103-F156 HydrophobicContact CE1-CE1 4.43Å; F103-F156 AromaticContact CE1-CZ 3.76Å; F103-F156 HydrophobicContact CE1-CZ 3.76Å; F103-F156 HydrophobicContact CE2-CZ 4.05Å; F103-F156 AromaticContact CG-CE1 3.89Å; F103-F156 HydrophobicContact CG-CE1 3.89Å; F103-F156 AromaticContact CG-CZ 3.91Å; F103-F156 HydrophobicContact CG-CZ 3.91Å; F103-F156 AromaticContact CZ-CZ 3.92Å; F103-F156 HydrophobicContact CZ-CZ 3.92Å; F103-I162 HydrophobicContact CB-CD1 3.97Å | ||
| 104 | D | 90.8 | Very high | 91.2 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | trans | 55.8 | 34.4 | 177.1 | -174.2 | 58.8 | 0 | 0 | 0 | 114.1 | Q79 D106 K114 R152 Y154 | Q79-D104 PolarHBondContact NE2-O 2.8Å; Q79-D104 PolarHBondContact NE2-OD2 2.84Å; D104-D106 VanDerWaalsContact C-N 3.31Å; D104-D106 PolarHBondContact O-N 2.03Å; D104-K114 IonicContact OD1-NZ 2.74Å; D104-K114 PolarHBondContact OD1-NZ 2.79Å; D104-K114 WeakPolarHBondContact OD2-CD 3.33Å; D104-K114 IonicContact OD2-NZ 2.68Å; D104-R152 VanDerWaalsContact CG-NH1 3.34Å; D104-R152 VanDerWaalsContact CG-NH2 3.29Å; D104-R152 IonicContact OD1-CZ 2.7Å; D104-R152 IonicContact OD1-NH1 3.85Å; D104-R152 PolarHBondContact OD1-NH1 3.3Å; D104-R152 IonicContact OD1-NH2 3.85Å; D104-R152 PolarHBondContact OD1-NH2 2.89Å; D104-R152 IonicContact OD2-CZ 3.15Å; D104-R152 IonicContact OD2-NH1 2.63Å; D104-R152 IonicContact OD2-NH2 3.62Å; D104-R152 PolarHBondContact OD2-NH2 3.19Å; D104-Y154 HydrophobicContact CB-CE2 4.19Å; D104-Y154 PolarHBondContact OD1-OH 3.2Å | ||
| 105 | N | 91.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -61.5 | -31 | -170.2 | -91.7 | -46 | 0 | 0 | 0 | 114.9 | L76 N78 Q79 F103 | L76-N105 WeakPolarHBondContact CB-OD1 3.42Å; N78-N105 CarbonylContact C-O 3.31Å; N78-N105 VanDerWaalsContact CB-O 3.3Å; N78-N105 WeakPolarHBondContact CB-O 3.49Å; Q79-N105 WeakPolarHBondContact CG-O 3.26Å; Q79-N105 PolarHBondContact N-O 2.88Å; F103-N105 PolarHBondContact O-N 2.87Å | ||
| 106 | D | 91.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 61 Ų | 61 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | trans | -100.3 | 167.3 | -173.5 | -55.5 | -62.6 | 0 | 0 | 0 | 112.2 | N78 D104 K114 | N78-D106 WeakPolarHBondContact CB-OD1 3.21Å; N78-D106 PolarHBondContact ND2-OD1 2.8Å; D104-D106 VanDerWaalsContact C-N 3.31Å; D104-D106 PolarHBondContact O-N 2.03Å; D106-K114 PolarHBondContact O-NZ 3.12Å | ||
| 107 | E | 93.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | trans | -152 | 135.1 | 178.7 | -175.3 | 175 | -163.7 | 0 | 0 | 110.9 | Q79 K80 S81 P109 E112 K114 | Q79-E107 HydrophobicContact CB-CB 4.33Å; Q79-E107 HydrophobicContact CG-CB 4.48Å; K80-E107 WeakPolarHBondContact CA-OE2 3.34Å; K80-E107 PolarHBondContact N-OE2 2.66Å; S81-E107 WeakPolarHBondContact CB-OE2 3.49Å; S81-E107 PolarHBondContact N-OE2 2.9Å; S81-E107 PolarHBondContact OG-OE1 2.69Å; S81-E107 PolarHBondContact OG-OE2 2.83Å; E107-P109 WeakPolarHBondContact O-CD 3.19Å; E107-E112 HydrophobicContact CG-CG 4.49Å; E107-K114 HydrophobicContact CB-CD 4.18Å; E107-K114 HydrophobicContact CG-CD 3.98Å; E107-K114 HydrophobicContact CG-CG 4.11Å; E107-K114 WeakPolarHBondContact OE1-CB 3.38Å; E107-K114 PolarHBondContact OE1-N 2.96Å | ||
| 108 | D | 93.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 32% | 0.316 | 28% | 0.278 | S | S | . | . | trans | -111.5 | 98.5 | 171.4 | -179.6 | -1.9 | 0 | 0 | 0 | 111.2 | S110 Q111 E112 | D108-S110 VanDerWaalsContact CG-OG 3.25Å; D108-S110 PolarHBondContact O-N 2.82Å; D108-S110 WeakPolarHBondContact OD1-CB 3.39Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 2.64Å; D108-S110 PolarHBondContact OD2-OG 2.93Å; D108-Q111 PolarHBondContact O-N 2.8Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.31Å; D108-Q111 PolarHBondContact OD2-NE2 2.71Å; D108-E112 PolarHBondContact N-OE1 3.15Å; D108-E112 VanDerWaalsContact O-CG 3.31Å; D108-E112 WeakPolarHBondContact O-CG 3.37Å; D108-E112 PolarHBondContact O-N 2.97Å | ||
| 109 | P | 90.9 | Very high | 94 | Very high | 76 Ų | 76 | 53 Ų | 53 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -4.2 | 178.6 | -24.5 | 35.3 | 0 | 0 | 0 | 116 | K80 E107 E112 I142 | K80-P109 HydrophobicContact CB-CG 3.96Å; K80-P109 HydrophobicContact CG-CG 3.83Å; E107-P109 WeakPolarHBondContact O-CD 3.19Å; P109-E112 WeakPolarHBondContact CA-O 3.4Å; P109-I142 WeakPolarHBondContact O-CD1 3.13Å |
| 110 | S | 91.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 57% | 0.566 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -17.2 | 171.7 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | D108 | D108-S110 VanDerWaalsContact CG-OG 3.25Å; D108-S110 PolarHBondContact O-N 2.82Å; D108-S110 WeakPolarHBondContact OD1-CB 3.39Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 2.64Å; D108-S110 PolarHBondContact OD2-OG 2.93Å |
| 111 | Q | 91.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 45 Ų | 45 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -22.4 | -176.3 | -65.3 | -172.8 | 65 | 0 | 0 | 113.9 | D108 K141 I142 | D108-Q111 PolarHBondContact O-N 2.8Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.31Å; D108-Q111 PolarHBondContact OD2-NE2 2.71Å; Q111-K141 WeakPolarHBondContact O-CD 3.29Å; Q111-K141 WeakPolarHBondContact O-CE 3.41Å; Q111-I142 PolarHBondContact O-N 3.27Å |
| 112 | E | 93.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163 | -172.6 | 54.3 | 174.7 | -172.4 | 0 | 0 | 112.9 | E107 D108 P109 K114 Y139 Q140 | E107-E112 HydrophobicContact CG-CG 4.49Å; D108-E112 PolarHBondContact N-OE1 3.15Å; D108-E112 VanDerWaalsContact O-CG 3.31Å; D108-E112 WeakPolarHBondContact O-CG 3.37Å; D108-E112 PolarHBondContact O-N 2.97Å; P109-E112 WeakPolarHBondContact CA-O 3.4Å; E112-K114 WeakPolarHBondContact OE1-CE 3.05Å; E112-K114 IonicContact OE1-NZ 3.5Å; E112-K114 PolarHBondContact OE1-NZ 3.5Å; E112-K114 WeakPolarHBondContact OE2-CE 3.05Å; E112-K114 IonicContact OE2-NZ 3.64Å; E112-K114 PolarHBondContact OE2-NZ 3.28Å; E112-Y139 HydrophobicContact CB-CE2 3.85Å; E112-Y139 WeakPolarHBondContact CB-OH 3.06Å; E112-Y139 VanDerWaalsContact OE2-CE2 3.26Å; E112-Y139 WeakPolarHBondContact OE2-CE2 3.28Å; E112-Y139 PolarHBondContact OE2-OH 2.95Å; E112-Q140 CarbonylContact C-O 3.6Å; E112-Q140 WeakPolarHBondContact CA-O 3.32Å |
| 113 | I | 94 | Very high | 94.6 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.205 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.7 | 172.2 | -53.3 | 173 | 0 | 0 | 0 | 108.3 | E115 Q140 I142 | I113-E115 HydrophobicContact CG2-CB 4.06Å; I113-Q140 HydrophobicContact CB-CB 4.05Å; I113-Q140 PolarHBondContact N-O 2.88Å; I113-Q140 PolarHBondContact O-N 2.89Å; I113-I142 HydrophobicContact CD1-CD1 4.19Å; I113-I142 HydrophobicContact CD1-CG1 4.39Å; I113-I142 HydrophobicContact CG1-CD1 3.93Å; I113-I142 HydrophobicContact CG1-CG1 4.23Å |
| 114 | K | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | trans | -96.6 | -8 | 179.3 | -59.4 | -177.2 | -175.5 | 176.8 | 0 | 113.4 | T84 D104 D106 E107 E112 D116 Q117 Y139 R152 | T84-K114 HydrophobicContact CG2-CB 3.68Å; D104-K114 IonicContact OD1-NZ 2.74Å; D104-K114 PolarHBondContact OD1-NZ 2.79Å; D104-K114 WeakPolarHBondContact OD2-CD 3.33Å; D104-K114 IonicContact OD2-NZ 2.68Å; D106-K114 PolarHBondContact O-NZ 3.12Å; E107-K114 HydrophobicContact CB-CD 4.18Å; E107-K114 HydrophobicContact CG-CD 3.98Å; E107-K114 HydrophobicContact CG-CG 4.11Å; E107-K114 WeakPolarHBondContact OE1-CB 3.38Å; E107-K114 PolarHBondContact OE1-N 2.96Å; E112-K114 WeakPolarHBondContact OE1-CE 3.05Å; E112-K114 IonicContact OE1-NZ 3.5Å; E112-K114 PolarHBondContact OE1-NZ 3.5Å; E112-K114 WeakPolarHBondContact OE2-CE 3.05Å; E112-K114 IonicContact OE2-NZ 3.64Å; E112-K114 PolarHBondContact OE2-NZ 3.28Å; K114-D116 PolarHBondContact O-N 2.04Å; K114-Q117 HydrophobicContact CB-CG 4.49Å; K114-Q117 VanDerWaalsContact O-CB 3.27Å; K114-Q117 WeakPolarHBondContact O-CB 3.47Å; K114-Q117 WeakPolarHBondContact O-CG 3.48Å; K114-Q117 PolarHBondContact O-N 2.9Å; K114-Q117 VanDerWaalsContact O-N 3.11Å; K114-Y139 HydrophobicContact CG-CE2 4.44Å; K114-R152 VanDerWaalsContact CE-NH2 3.3Å | ||
| 115 | E | 96.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 120.9 | -179.9 | -172.3 | 67.9 | 172.4 | 0 | 0 | 111.5 | S81 S82 V83 I113 Q117 | S81-E115 WeakPolarHBondContact CB-OE2 3.3Å; S81-E115 PolarHBondContact OG-N 2.88Å; S82-E115 WeakPolarHBondContact CA-OE2 3.48Å; S82-E115 PolarHBondContact N-OE2 2.92Å; S82-E115 PolarHBondContact OG-OE1 2.82Å; S82-E115 PolarHBondContact OG-OE2 2.88Å; V83-E115 PolarHBondContact N-OE2 2.84Å; V83-E115 WeakPolarHBondContact O-CA 3.12Å; I113-E115 HydrophobicContact CG2-CB 4.06Å; E115-Q117 PolarHBondContact O-N 2.83Å |
| 116 | D | 96.2 | Very high | 94.9 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 32.2 | -177 | -151.1 | 39 | 0 | 0 | 0 | 112.9 | R72 V83 K114 W118 R138 | R72-D116 IonicContact NE-OD1 2.71Å; V83-D116 PolarHBondContact O-N 2.9Å; K114-D116 PolarHBondContact O-N 2.04Å; D116-W118 PolarHBondContact O-N 2.83Å; D116-W118 VanDerWaalsContact OD1-CD1 3.3Å; D116-W118 PolarHBondContact OD1-NE1 2.86Å; D116-R138 VanDerWaalsContact O-CZ 3.24Å; D116-R138 PolarHBondContact O-NE 2.86Å; D116-R138 PolarHBondContact O-NH2 3.15Å; D116-R138 IonicContact OD1-NH1 2.8Å; D116-R138 IonicContact OD2-CZ 3.82Å; D116-R138 IonicContact OD2-NH1 3.21Å; D116-R138 PolarHBondContact OD2-NH1 2.85Å; D116-R138 IonicContact OD2-NH2 3.35Å; D116-R138 PolarHBondContact OD2-NH2 2.96Å |
| 117 | Q | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | trans | -66.7 | -17 | 176.8 | 71.4 | 175.5 | -13.6 | 0 | 0 | 114.5 | T84 K114 E115 M119 A136 R138 | T84-Q117 WeakPolarHBondContact O-CG 3.31Å; T84-Q117 PolarHBondContact O-NE2 2.96Å; T84-Q117 VanDerWaalsContact O-NE2 3.11Å; K114-Q117 HydrophobicContact CB-CG 4.49Å; K114-Q117 VanDerWaalsContact O-CB 3.27Å; K114-Q117 WeakPolarHBondContact O-CB 3.47Å; K114-Q117 WeakPolarHBondContact O-CG 3.48Å; K114-Q117 PolarHBondContact O-N 2.9Å; K114-Q117 VanDerWaalsContact O-N 3.11Å; E115-Q117 PolarHBondContact O-N 2.83Å; Q117-M119 HydrophobicContact CG-CB 4.43Å; Q117-A136 HydrophobicContact CB-CB 4.28Å; Q117-A136 HydrophobicContact CG-CB 4.01Å; Q117-A136 CarbonylContact O-C 3.56Å; Q117-A136 VanDerWaalsContact O-C 3.3Å; Q117-A136 WeakPolarHBondContact O-CA 3.36Å; Q117-R138 WeakPolarHBondContact O-CB 3.46Å; Q117-R138 PolarHBondContact O-N 2.81Å | ||
| 118 | W | 97.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 22% | 0.216 | 20% | 0.203 | C | C | . | . | trans | 61.8 | 52.4 | -179.7 | -73.6 | 30.2 | 0 | 0 | 0 | 114.6 | L48 L51 P71 R72 D116 G120 V121 C135 A136 H137 | L48-W118 HydrophobicContact CD1-CH2 4.16Å; L48-W118 HydrophobicContact CD1-CZ2 4.31Å; L51-W118 HydrophobicContact CD1-CZ3 4.2Å; P71-W118 HydrophobicContact CB-CB 3.59Å; P71-W118 HydrophobicContact CB-CD2 3.93Å; P71-W118 HydrophobicContact CB-CE3 4.1Å; P71-W118 HydrophobicContact CB-CG 3.73Å; P71-W118 HydrophobicContact CG-CD2 4.4Å; P71-W118 HydrophobicContact CG-CE3 4.19Å; P71-W118 WeakPolarHBondContact O-CA 3.17Å; R72-W118 HydrophobicContact CG-CZ2 4.41Å; D116-W118 PolarHBondContact O-N 2.83Å; D116-W118 VanDerWaalsContact OD1-CD1 3.3Å; D116-W118 PolarHBondContact OD1-NE1 2.86Å; W118-G120 PolarHBondContact O-N 3.16Å; W118-V121 HydrophobicContact CB-CB 4.28Å; W118-V121 HydrophobicContact CE3-CG2 4.16Å; W118-V121 WeakPolarHBondContact O-CB 3.48Å; W118-V121 PolarHBondContact O-N 2.92Å; W118-C135 VanDerWaalsContact O-O 3.13Å; W118-A136 WeakPolarHBondContact O-CA 3.4Å; W118-H137 AromaticContact CE3-CE1 3.78Å | ||
| 119 | M | 97.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.6 | 172 | -173.9 | 62.7 | 76 | 0 | 0 | 110.9 | P71 T84 G85 G86 F103 Q117 T134 C135 A136 Y154 | P71-M119 WeakPolarHBondContact CA-O 3.36Å; T84-M119 WeakPolarHBondContact O-CB 3.08Å; T84-M119 PolarHBondContact O-N 3.03Å; G85-M119 CarbonylContact C-O 3.58Å; G85-M119 WeakPolarHBondContact CA-O 3.35Å; G86-M119 PolarHBondContact N-O 2.96Å; F103-M119 HydrophobicContact CE2-CE 3.94Å; F103-M119 HydrophobicContact CE2-CG 4.09Å; F103-M119 HydrophobicContact CE2-SD 3.82Å; F103-M119 HydrophobicContact CZ-CG 3.82Å; F103-M119 HydrophobicContact CZ-SD 3.97Å; Q117-M119 HydrophobicContact CG-CB 4.43Å; M119-T134 HydrophobicContact SD-CG2 4.06Å; M119-C135 CarbonylContact C-O 3.49Å; M119-C135 WeakPolarHBondContact CA-O 3.45Å; M119-A136 HydrophobicContact CB-CB 4.12Å; M119-A136 HydrophobicContact CE-CB 3.64Å; M119-A136 HydrophobicContact SD-CB 3.91Å; M119-Y154 HydrophobicContact CE-CD2 3.68Å; M119-Y154 HydrophobicContact CE-CE2 3.65Å; M119-Y154 HydrophobicContact SD-CD2 4.29Å |
| 120 | G | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | 23 | -168 | 0 | 0 | 0 | 0 | 0 | 113.7 | S52 G69 W118 T134 C135 | S52-G120 PolarHBondContact OG-O 2.85Å; G69-G120 WeakPolarHBondContact CA-O 3.24Å; W118-G120 PolarHBondContact O-N 3.16Å; G120-T134 WeakPolarHBondContact CA-OG1 3.15Å; G120-C135 PolarHBondContact N-O 2.74Å |
| 121 | V | 97.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -38.6 | 165.5 | 64.8 | 0 | 0 | 0 | 0 | 111 | L51 S52 W118 C135 H137 L195 | L51-V121 HydrophobicContact CD2-CG2 4.29Å; L51-V121 VanDerWaalsContact CD2-O 3.25Å; L51-V121 WeakPolarHBondContact CD2-O 3.27Å; S52-V121 WeakPolarHBondContact CB-O 3.46Å; S52-V121 PolarHBondContact OG-O 3.11Å; W118-V121 HydrophobicContact CB-CB 4.28Å; W118-V121 HydrophobicContact CE3-CG2 4.16Å; W118-V121 WeakPolarHBondContact O-CB 3.48Å; W118-V121 PolarHBondContact O-N 2.92Å; V121-C135 PolarHBondContact N-O 3.17Å; V121-H137 HydrophobicContact CG1-CB 4.06Å; V121-H137 WeakPolarHBondContact CG1-ND1 3.31Å; V121-L195 HydrophobicContact CG2-CD1 3.94Å |
| 122 | S | 97.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.3 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 108.4 | T134 C135 G194 V197 | S122-T134 WeakPolarHBondContact O-CA 3.36Å; S122-C135 PolarHBondContact O-N 2.92Å; S122-C135 WeakPolarHBondContact OG-CB 3.07Å; S122-G194 PolarHBondContact OG-O 2.91Å; S122-G194 VanDerWaalsContact OG-O 3.06Å; S122-V197 WeakPolarHBondContact OG-CG1 3.43Å |
| 123 | V | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.6 | 177.6 | 177 | 0 | 0 | 0 | 0 | 106.5 | S52 A54 L67 L87 V133 | S52-V123 WeakPolarHBondContact OG-CG2 3.41Å; A54-V123 HydrophobicContact CB-CG1 3.95Å; L67-V123 HydrophobicContact CB-CG1 4.02Å; L87-V123 HydrophobicContact CD1-CB 4.36Å; L87-V123 HydrophobicContact CD1-CG1 3.64Å; L87-V123 HydrophobicContact CD1-CG2 3.7Å; V123-V133 WeakPolarHBondContact CA-O 3.41Å |
| 124 | Q | 96.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 21.7 Ų | 21.7 | 33% | 0.332 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.5 | 178.9 | -80 | -65.5 | -6.9 | 0 | 0 | 111.4 | V132 V133 V197 F199 | Q124-V132 CarbonylContact O-C 3.33Å; Q124-V132 WeakPolarHBondContact O-CA 3.4Å; Q124-V133 HydrophobicContact CB-CG1 3.7Å; Q124-V133 PolarHBondContact N-O 2.85Å; Q124-V133 PolarHBondContact O-N 2.83Å; Q124-V197 HydrophobicContact CB-CG1 4.41Å; Q124-V197 HydrophobicContact CG-CG1 4.12Å; Q124-V197 WeakPolarHBondContact CG-O 3.48Å; Q124-F199 HydrophobicContact CB-CD2 4.29Å; Q124-F199 HydrophobicContact CB-CE2 4.41Å |
| 125 | S | 94.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 135.9 | -172.4 | 171.9 | 0 | 0 | 0 | 0 | 109.3 | L55 H56 G127 | L55-S125 WeakPolarHBondContact O-CB 3.42Å; L55-S125 PolarHBondContact O-OG 2.68Å; H56-S125 PolarHBondContact ND1-OG 3.48Å; H56-S125 VanDerWaalsContact ND1-OG 3.08Å; S125-G127 PolarHBondContact O-N 2.69Å; S125-G127 PolarHBondContact OG-N 2.81Å |
| 126 | Q | 90.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | trans | -72.1 | -0.4 | 168 | -70.1 | 179 | -9.9 | 0 | 0 | 112.5 | K131 F199 Y203 D225 | Q126-K131 PolarHBondContact N-O 2.77Å; Q126-F199 HydrophobicContact CG-CB 3.88Å; Q126-F199 HydrophobicContact CG-CD1 3.68Å; Q126-F199 HydrophobicContact CG-CD2 3.54Å; Q126-F199 HydrophobicContact CG-CE1 3.98Å; Q126-F199 HydrophobicContact CG-CE2 3.85Å; Q126-F199 HydrophobicContact CG-CG 3.44Å; Q126-F199 VanDerWaalsContact CG-CG 3.44Å; Q126-F199 HydrophobicContact CG-CZ 4.05Å; Q126-F199 VanDerWaalsContact NE2-CE1 3.29Å; Q126-Y203 HydrophobicContact CB-CD1 3.83Å; Q126-Y203 HydrophobicContact CB-CE1 4.19Å; Q126-Y203 HydrophobicContact CG-CD1 4.11Å; Q126-Y203 WeakPolarHBondContact O-CE1 3.46Å; Q126-D225 PolarHBondContact NE2-OD2 3.35Å | ||
| 127 | G | 89.8 | Confident | 94.7 | Very high | 9 Ų | 9 | 17 Ų | 17 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 80.5 | -141.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | H56 S125 G129 | H56-G127 PolarHBondContact CE1-O 2.83Å; H56-G127 PolarHBondContact ND1-O 2.86Å; S125-G127 PolarHBondContact O-N 2.69Å; S125-G127 PolarHBondContact OG-N 2.81Å; G127-G129 PolarHBondContact O-N 3.41Å |
| 128 | P | 90.7 | Very high | 94.7 | Very high | 73 Ų | 73 | 20.6 Ų | 20.6 | 47% | 0.474 | 11% | 0.114 | S | C | . | . | B | Isolated β-bridge | trans | -65.4 | 115.1 | -170.4 | -23.6 | 35.3 | 0 | 0 | 0 | 114.8 | Q57 G130 M443 | Q57-P128 HydrophobicContact CB-CB 4.18Å; Q57-P128 HydrophobicContact CB-CG 4.26Å; Q57-P128 HydrophobicContact CG-CB 4.46Å; Q57-P128 CarbonylContact O-C 3.59Å; Q57-P128 WeakPolarHBondContact O-CA 3.4Å; P128-G130 PolarHBondContact O-N 2.85Å; P128-M443 HydrophobicContact CG-CE 4.46Å |
| 129 | G | 88.4 | Confident | 94.6 | Very high | 23 Ų | 23 | 18 Ų | 18 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -6.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q57 G127 Q158 | Q57-G129 PolarHBondContact O-N 2.95Å; G127-G129 PolarHBondContact O-N 3.41Å; G129-Q158 PolarHBondContact O-NE2 3.13Å |
| 130 | G | 88.8 | Confident | 94.5 | Very high | 16 Ų | 16 | 19.9 Ų | 19.9 | 17% | 0.165 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -86 | -167.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H56 P128 Q158 | H56-G130 PolarHBondContact CE1-O 2.82Å; P128-G130 PolarHBondContact O-N 2.85Å; G130-Q158 WeakPolarHBondContact O-CA 3.45Å; G130-Q158 WeakPolarHBondContact O-CB 3.36Å; G130-Q158 PolarHBondContact O-N 3.45Å |
| 131 | K | 89.7 | Confident | 94.3 | Very high | 22 Ų | 22 | 21 Ų | 21 | 10% | 0.096 | 12% | 0.118 | C | C | . | . | trans | -85.8 | 166 | -178 | -54.7 | -158.2 | -170.9 | -159.5 | 0 | 113.6 | Q126 V155 F156 D166 M168 D169 F199 D225 | Q126-K131 PolarHBondContact N-O 2.77Å; K131-V155 HydrophobicContact CB-CG1 4.11Å; K131-V155 HydrophobicContact CD-CG1 3.74Å; K131-F156 VanDerWaalsContact CA-O 3.28Å; K131-F156 WeakPolarHBondContact CA-O 3.39Å; K131-F156 WeakPolarHBondContact CB-O 3.41Å; K131-D166 IonicContact NZ-OD2 3.57Å; K131-D166 PolarHBondContact NZ-OD2 2.99Å; K131-D166 VanDerWaalsContact NZ-OD2 3.12Å; K131-M168 PolarHBondContact NZ-O 2.65Å; K131-D169 VanDerWaalsContact CD-OD1 3.27Å; K131-D169 WeakPolarHBondContact CD-OD1 3.43Å; K131-D169 WeakPolarHBondContact CE-OD1 3.07Å; K131-D169 IonicContact NZ-OD1 2.68Å; K131-D169 PolarHBondContact NZ-OD1 3.26Å; K131-F199 HydrophobicContact CB-CE1 4.47Å; K131-F199 HydrophobicContact CB-CZ 4.13Å; K131-D225 VanDerWaalsContact CD-OD1 3.24Å; K131-D225 WeakPolarHBondContact CD-OD1 3.23Å; K131-D225 WeakPolarHBondContact CD-OD2 3.41Å; K131-D225 WeakPolarHBondContact CE-OD1 3.02Å; K131-D225 IonicContact NZ-OD1 3.92Å; K131-D225 PolarHBondContact NZ-OD1 3.08Å | ||
| 132 | V | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.5 | 177 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | H56 L67 L87 Q124 V155 F156 L160 | H56-V132 WeakPolarHBondContact ND1-CG2 3.41Å; L67-V132 HydrophobicContact CD1-CB 4.35Å; L67-V132 HydrophobicContact CD1-CG1 3.59Å; L67-V132 HydrophobicContact CD1-CG2 3.75Å; L87-V132 HydrophobicContact CD2-CG1 4.38Å; Q124-V132 CarbonylContact O-C 3.33Å; Q124-V132 WeakPolarHBondContact O-CA 3.4Å; V132-V155 CarbonylContact O-C 3.48Å; V132-V155 WeakPolarHBondContact O-CA 3.37Å; V132-F156 HydrophobicContact CB-CD2 4.32Å; V132-F156 HydrophobicContact CG1-CD2 4.14Å; V132-F156 PolarHBondContact N-O 2.82Å; V132-F156 PolarHBondContact O-N 2.84Å; V132-L160 HydrophobicContact CB-CD2 4.06Å; V132-L160 HydrophobicContact CG1-CD2 4.02Å; V132-L160 HydrophobicContact CG2-CD2 3.88Å |
| 133 | V | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141 | 175.8 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | V123 Q124 C153 Y154 V155 V197 F199 F208 | V123-V133 WeakPolarHBondContact CA-O 3.41Å; Q124-V133 HydrophobicContact CB-CG1 3.7Å; Q124-V133 PolarHBondContact N-O 2.85Å; Q124-V133 PolarHBondContact O-N 2.83Å; V133-C153 HydrophobicContact CG2-CB 4.22Å; V133-Y154 WeakPolarHBondContact CA-O 3.49Å; V133-Y154 WeakPolarHBondContact CG2-O 3.45Å; V133-V155 HydrophobicContact CB-CG2 4.13Å; V133-V155 HydrophobicContact CG2-CG2 3.82Å; V133-V197 HydrophobicContact CG1-CG1 4.05Å; V133-V197 HydrophobicContact CG1-CG2 3.72Å; V133-V197 HydrophobicContact CG2-CG2 4.11Å; V133-F199 HydrophobicContact CB-CE2 4.13Å; V133-F199 HydrophobicContact CB-CZ 3.86Å; V133-F199 HydrophobicContact CG1-CD2 4.35Å; V133-F199 HydrophobicContact CG1-CE2 3.6Å; V133-F199 HydrophobicContact CG1-CZ 3.77Å; V133-F208 HydrophobicContact CG2-CE1 4.17Å |
| 134 | T | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.5 | 172.9 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | L87 F103 M119 G120 S122 C153 Y154 F156 | L87-T134 HydrophobicContact CB-CG2 4.49Å; L87-T134 HydrophobicContact CD2-CG2 4.39Å; F103-T134 HydrophobicContact CE2-CG2 4.09Å; F103-T134 HydrophobicContact CZ-CG2 3.68Å; M119-T134 HydrophobicContact SD-CG2 4.06Å; G120-T134 WeakPolarHBondContact CA-OG1 3.15Å; S122-T134 WeakPolarHBondContact O-CA 3.36Å; T134-C153 CarbonylContact O-C 3.38Å; T134-C153 VanDerWaalsContact O-CA 3.31Å; T134-C153 WeakPolarHBondContact O-CA 3.29Å; T134-Y154 PolarHBondContact N-O 2.82Å; T134-Y154 PolarHBondContact O-N 3.48Å; T134-F156 HydrophobicContact CG2-CE2 3.56Å; T134-F156 HydrophobicContact CG2-CZ 3.88Å |
| 135 | C | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 160.4 | -174.4 | -58.7 | 0 | 0 | 0 | 0 | 114 | W118 M119 G120 V121 S122 R152 C153 G194 | W118-C135 VanDerWaalsContact O-O 3.13Å; M119-C135 CarbonylContact C-O 3.49Å; M119-C135 WeakPolarHBondContact CA-O 3.45Å; G120-C135 PolarHBondContact N-O 2.74Å; V121-C135 PolarHBondContact N-O 3.17Å; S122-C135 PolarHBondContact O-N 2.92Å; S122-C135 WeakPolarHBondContact OG-CB 3.07Å; C135-R152 CarbonylContact C-O 3.58Å; C135-R152 WeakPolarHBondContact CA-O 3.33Å; C135-C153 HydrophobicContact CB-CB 4.05Å; C135-C153 WeakPolarHBondContact CB-SG 3.33Å; C135-C153 WeakPolarHBondContact SG-CB 3.2Å; C135-C153 CovalentContact SG-SG 2.04Å; C135-C153 PolarHBondContact SG-SG 2.9Å; C135-G194 WeakPolarHBondContact CB-O 3.42Å |
| 136 | A | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 76.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q117 W118 M119 R138 Y139 G151 R152 | Q117-A136 HydrophobicContact CB-CB 4.28Å; Q117-A136 HydrophobicContact CG-CB 4.01Å; Q117-A136 CarbonylContact O-C 3.56Å; Q117-A136 VanDerWaalsContact O-C 3.3Å; Q117-A136 WeakPolarHBondContact O-CA 3.36Å; W118-A136 WeakPolarHBondContact O-CA 3.4Å; M119-A136 HydrophobicContact CB-CB 4.12Å; M119-A136 HydrophobicContact CE-CB 3.64Å; M119-A136 HydrophobicContact SD-CB 3.91Å; A136-R138 PolarHBondContact O-N 2.9Å; A136-Y139 VanDerWaalsContact O-CB 3.32Å; A136-Y139 WeakPolarHBondContact O-CB 3.06Å; A136-Y139 PolarHBondContact O-N 2.98Å; A136-G151 WeakPolarHBondContact O-CA 3.44Å; A136-R152 HydrophobicContact CB-CG 4.19Å; A136-R152 PolarHBondContact N-O 2.85Å; A136-R152 PolarHBondContact O-N 3Å |
| 137 | H | 97.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -8.9 | -173.5 | 81 | -60.1 | 0 | 0 | 0 | 115.8 | W118 V121 Q192 L195 | W118-H137 AromaticContact CE3-CE1 3.78Å; V121-H137 HydrophobicContact CG1-CB 4.06Å; V121-H137 WeakPolarHBondContact CG1-ND1 3.31Å; H137-Q192 WeakPolarHBondContact O-CA 3.5Å; H137-L195 HydrophobicContact CB-CB 4.07Å |
| 138 | R | 96.8 | Very high | 91.6 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 10 | 176.3 | -72.4 | 174.9 | 61.3 | -156.3 | -10.8 | 113.5 | D116 Q117 A136 Q140 | D116-R138 VanDerWaalsContact O-CZ 3.24Å; D116-R138 PolarHBondContact O-NE 2.86Å; D116-R138 PolarHBondContact O-NH2 3.15Å; D116-R138 IonicContact OD1-NH1 2.8Å; D116-R138 IonicContact OD2-CZ 3.82Å; D116-R138 IonicContact OD2-NH1 3.21Å; D116-R138 PolarHBondContact OD2-NH1 2.85Å; D116-R138 IonicContact OD2-NH2 3.35Å; D116-R138 PolarHBondContact OD2-NH2 2.96Å; Q117-R138 WeakPolarHBondContact O-CB 3.46Å; Q117-R138 PolarHBondContact O-N 2.81Å; A136-R138 PolarHBondContact O-N 2.9Å; R138-Q140 PolarHBondContact O-N 3.18Å |
| 139 | Y | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | trans | -55.1 | 135.5 | 171.6 | 172.6 | -108.6 | 0 | 0 | 0 | 111.6 | E112 K114 A136 L150 G151 R152 K174 | E112-Y139 HydrophobicContact CB-CE2 3.85Å; E112-Y139 WeakPolarHBondContact CB-OH 3.06Å; E112-Y139 VanDerWaalsContact OE2-CE2 3.26Å; E112-Y139 WeakPolarHBondContact OE2-CE2 3.28Å; E112-Y139 PolarHBondContact OE2-OH 2.95Å; K114-Y139 HydrophobicContact CG-CE2 4.44Å; A136-Y139 VanDerWaalsContact O-CB 3.32Å; A136-Y139 WeakPolarHBondContact O-CB 3.06Å; A136-Y139 PolarHBondContact O-N 2.98Å; Y139-L150 PolarHBondContact O-N 3.18Å; Y139-G151 PolarHBondContact O-N 2.86Å; Y139-G151 VanDerWaalsContact O-N 3.13Å; Y139-R152 HydrophobicContact CD1-CB 4Å; Y139-R152 HydrophobicContact CD1-CG 3.83Å; Y139-R152 HydrophobicContact CD2-CG 4.37Å; Y139-R152 HydrophobicContact CE1-CG 4.48Å; Y139-R152 HydrophobicContact CG-CB 4.4Å; Y139-R152 HydrophobicContact CG-CG 3.75Å; Y139-K174 HydrophobicContact CE1-CD 4.15Å | ||
| 140 | Q | 94.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.6 | -175.1 | -77.8 | 171 | 92.6 | 0 | 0 | 111.3 | E112 I113 R138 S148 V149 | E112-Q140 CarbonylContact C-O 3.6Å; E112-Q140 WeakPolarHBondContact CA-O 3.32Å; I113-Q140 HydrophobicContact CB-CB 4.05Å; I113-Q140 PolarHBondContact N-O 2.88Å; I113-Q140 PolarHBondContact O-N 2.89Å; R138-Q140 PolarHBondContact O-N 3.18Å; Q140-S148 WeakPolarHBondContact CA-O 3.47Å; Q140-V149 HydrophobicContact CG-CG2 4.05Å |
| 141 | K | 92.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.1 | 170.1 | -167.9 | 75.7 | -164.7 | -158.3 | 0 | 110 | Q111 Q147 S148 L150 E177 | Q111-K141 WeakPolarHBondContact O-CD 3.29Å; Q111-K141 WeakPolarHBondContact O-CE 3.41Å; K141-Q147 WeakPolarHBondContact O-CA 3.42Å; K141-S148 PolarHBondContact N-O 3.05Å; K141-S148 PolarHBondContact O-N 3.12Å; K141-L150 HydrophobicContact CB-CD1 3.76Å; K141-L150 HydrophobicContact CB-CG 4.24Å; K141-L150 HydrophobicContact CG-CD1 4.35Å; K141-E177 WeakPolarHBondContact CD-OE1 3.48Å; K141-E177 WeakPolarHBondContact CE-OE1 3.39Å; K141-E177 IonicContact NZ-OE1 2.73Å; K141-E177 PolarHBondContact NZ-OE1 2.73Å |
| 142 | I | 91.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.4 | 168.1 | -54.4 | 175.7 | 0 | 0 | 0 | 108.1 | P109 Q111 I113 S146 Q147 | P109-I142 WeakPolarHBondContact O-CD1 3.13Å; Q111-I142 PolarHBondContact O-N 3.27Å; I113-I142 HydrophobicContact CD1-CD1 4.19Å; I113-I142 HydrophobicContact CD1-CG1 4.39Å; I113-I142 HydrophobicContact CG1-CD1 3.93Å; I113-I142 HydrophobicContact CG1-CG1 4.23Å; I142-S146 WeakPolarHBondContact CA-O 3.45Å; I142-Q147 HydrophobicContact CG1-CG 4.44Å |
| 143 | R | 85.8 | Confident | 92.6 | Very high | 124 Ų | 124 | 35.3 Ų | 35.3 | 47% | 0.468 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 118.3 | 176.4 | -165.3 | 170.3 | -177 | -177.5 | -0.7 | 110.2 | G145 S146 E182 T183 | R143-G145 PolarHBondContact O-N 3.05Å; R143-G145 VanDerWaalsContact O-N 3.12Å; R143-S146 PolarHBondContact N-O 2.63Å; R143-S146 WeakPolarHBondContact O-CB 3.48Å; R143-S146 PolarHBondContact O-N 3.22Å; R143-E182 IonicContact CZ-OE2 2.7Å; R143-E182 IonicContact NH1-OE2 3.87Å; R143-E182 PolarHBondContact NH1-OE2 3.17Å; R143-T183 HydrophobicContact CB-CG2 4.28Å |
| 144 | S | 81.4 | Confident | 92.6 | Very high | 128 Ų | 128 | 36.1 Ų | 36.1 | 90% | 0.895 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 31.7 | -179 | -55.1 | 0 | 0 | 0 | 0 | 115 | S146 | S144-S146 VanDerWaalsContact C-N 3.31Å; S144-S146 PolarHBondContact O-N 2.96Å |
| 145 | G | 79.1 | Confident | 92.3 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 74% | 0.742 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -6.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R143 | R143-G145 PolarHBondContact O-N 3.05Å; R143-G145 VanDerWaalsContact O-N 3.12Å |
| 146 | S | 85.9 | Confident | 91.9 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 144.9 | 165.3 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | I142 R143 S144 | I142-S146 WeakPolarHBondContact CA-O 3.45Å; R143-S146 PolarHBondContact N-O 2.63Å; R143-S146 WeakPolarHBondContact O-CB 3.48Å; R143-S146 PolarHBondContact O-N 3.22Å; S144-S146 VanDerWaalsContact C-N 3.31Å; S144-S146 PolarHBondContact O-N 2.96Å |
| 147 | Q | 90.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 37 Ų | 37 | 58% | 0.575 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.1 | 172.6 | -69.6 | 172.3 | -16.5 | 0 | 0 | 109.1 | K141 I142 | K141-Q147 WeakPolarHBondContact O-CA 3.42Å; I142-Q147 HydrophobicContact CG1-CG 4.44Å |
| 148 | S | 93.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 125.7 | -176.1 | -60 | 0 | 0 | 0 | 0 | 111.4 | Q140 K141 L150 E182 G189 | Q140-S148 WeakPolarHBondContact CA-O 3.47Å; K141-S148 PolarHBondContact N-O 3.05Å; K141-S148 PolarHBondContact O-N 3.12Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.89Å; S148-E182 PolarHBondContact OG-O 2.81Å; S148-G189 CarbonylContact C-O 3.3Å; S148-G189 WeakPolarHBondContact CA-O 3.46Å |
| 149 | V | 95.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | trans | -86.4 | 71.4 | -176.8 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | Q140 G189 V190 C191 Q192 | Q140-V149 HydrophobicContact CG-CG2 4.05Å; V149-G189 PolarHBondContact N-O 3.01Å; V149-V190 CarbonylContact O-C 3.52Å; V149-V190 WeakPolarHBondContact O-CA 3.28Å; V149-C191 PolarHBondContact O-N 3.45Å; V149-Q192 HydrophobicContact CG1-CG 4.23Å; V149-Q192 PolarHBondContact O-N 2.95Å | ||
| 150 | L | 94.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -72 | -42.1 | -174.6 | -56.6 | -174.9 | 0 | 0 | 0 | 111.6 | Y139 K141 S148 C176 E177 E182 Y188 Q192 Q193 | Y139-L150 PolarHBondContact O-N 3.18Å; K141-L150 HydrophobicContact CB-CD1 3.76Å; K141-L150 HydrophobicContact CB-CG 4.24Å; K141-L150 HydrophobicContact CG-CD1 4.35Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.89Å; L150-C176 HydrophobicContact CB-CB 4.47Å; L150-E177 HydrophobicContact CD1-CB 4.01Å; L150-E177 HydrophobicContact CD1-CG 4.4Å; L150-E182 HydrophobicContact CD1-CG 3.99Å; L150-E182 HydrophobicContact CD2-CG 3.97Å; L150-Y188 WeakPolarHBondContact CD2-O 3.49Å; L150-Q192 WeakPolarHBondContact O-CA 3.47Å; L150-Q192 PolarHBondContact O-N 2.98Å; L150-Q193 VanDerWaalsContact O-CG 3.24Å; L150-Q193 WeakPolarHBondContact O-CG 3.39Å; L150-Q193 PolarHBondContact O-N 3.33Å | ||
| 151 | G | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 80.1 | 163.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A136 Y139 Q193 | A136-G151 WeakPolarHBondContact O-CA 3.44Å; Y139-G151 PolarHBondContact O-N 2.86Å; Y139-G151 VanDerWaalsContact O-N 3.13Å; G151-Q193 VanDerWaalsContact C-CG 3.49Å; G151-Q193 WeakPolarHBondContact O-CG 3.43Å | ||
| 152 | R | 94.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 164.6 | 174.9 | 65.3 | -179.5 | 167.4 | 145.8 | 2.2 | 112.3 | D104 K114 C135 A136 Y139 Y154 D172 K174 | D104-R152 VanDerWaalsContact CG-NH1 3.34Å; D104-R152 VanDerWaalsContact CG-NH2 3.29Å; D104-R152 IonicContact OD1-CZ 2.7Å; D104-R152 IonicContact OD1-NH1 3.85Å; D104-R152 PolarHBondContact OD1-NH1 3.3Å; D104-R152 IonicContact OD1-NH2 3.85Å; D104-R152 PolarHBondContact OD1-NH2 2.89Å; D104-R152 IonicContact OD2-CZ 3.15Å; D104-R152 IonicContact OD2-NH1 2.63Å; D104-R152 IonicContact OD2-NH2 3.62Å; D104-R152 PolarHBondContact OD2-NH2 3.19Å; K114-R152 VanDerWaalsContact CE-NH2 3.3Å; C135-R152 CarbonylContact C-O 3.58Å; C135-R152 WeakPolarHBondContact CA-O 3.33Å; A136-R152 HydrophobicContact CB-CG 4.19Å; A136-R152 PolarHBondContact N-O 2.85Å; A136-R152 PolarHBondContact O-N 3Å; Y139-R152 HydrophobicContact CD1-CB 4Å; Y139-R152 HydrophobicContact CD1-CG 3.83Å; Y139-R152 HydrophobicContact CD2-CG 4.37Å; Y139-R152 HydrophobicContact CE1-CG 4.48Å; Y139-R152 HydrophobicContact CG-CB 4.4Å; Y139-R152 HydrophobicContact CG-CG 3.75Å; R152-Y154 PolarHBondContact NH1-OH 2.87Å; R152-D172 WeakPolarHBondContact CD-OD1 3.32Å; R152-K174 HydrophobicContact CB-CD 4.12Å; R152-K174 HydrophobicContact CB-CG 3.55Å |
| 153 | C | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.6 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | V133 T134 C135 W173 F208 | V133-C153 HydrophobicContact CG2-CB 4.22Å; T134-C153 CarbonylContact O-C 3.38Å; T134-C153 VanDerWaalsContact O-CA 3.31Å; T134-C153 WeakPolarHBondContact O-CA 3.29Å; C135-C153 HydrophobicContact CB-CB 4.05Å; C135-C153 WeakPolarHBondContact CB-SG 3.33Å; C135-C153 WeakPolarHBondContact SG-CB 3.2Å; C135-C153 CovalentContact SG-SG 2.04Å; C135-C153 PolarHBondContact SG-SG 2.9Å; C153-W173 HydrophobicContact CB-CB 4.22Å; C153-W173 PolarHBondContact N-O 2.88Å; C153-W173 VanDerWaalsContact N-O 3.07Å; C153-W173 WeakPolarHBondContact O-CB 3.32Å; C153-W173 PolarHBondContact O-N 3.18Å; C153-F208 HydrophobicContact CB-CE1 3.74Å; C153-F208 HydrophobicContact CB-CZ 4.36Å; C153-F208 VanDerWaalsContact SG-CE1 3.55Å |
| 154 | Y | 93.4 | Very high | 88 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.4 | 171.5 | -75.7 | -85.4 | 0 | 0 | 0 | 110 | F103 D104 M119 V133 T134 R152 I162 D172 | F103-Y154 HydrophobicContact CD2-CD1 4.15Å; F103-Y154 AromaticContact CD2-CD2 3.76Å; F103-Y154 HydrophobicContact CD2-CD2 3.76Å; F103-Y154 HydrophobicContact CD2-CE1 4.46Å; F103-Y154 HydrophobicContact CD2-CE2 4.09Å; F103-Y154 AromaticContact CD2-CG 3.79Å; F103-Y154 HydrophobicContact CD2-CG 3.79Å; F103-Y154 AromaticContact CE2-CD2 3.54Å; F103-Y154 HydrophobicContact CE2-CD2 3.54Å; F103-Y154 HydrophobicContact CE2-CE2 4.1Å; F103-Y154 AromaticContact CE2-CG 3.87Å; F103-Y154 HydrophobicContact CE2-CG 3.87Å; D104-Y154 HydrophobicContact CB-CE2 4.19Å; D104-Y154 PolarHBondContact OD1-OH 3.2Å; M119-Y154 HydrophobicContact CE-CD2 3.68Å; M119-Y154 HydrophobicContact CE-CE2 3.65Å; M119-Y154 HydrophobicContact SD-CD2 4.29Å; V133-Y154 WeakPolarHBondContact CA-O 3.49Å; V133-Y154 WeakPolarHBondContact CG2-O 3.45Å; T134-Y154 PolarHBondContact N-O 2.82Å; T134-Y154 PolarHBondContact O-N 3.48Å; R152-Y154 PolarHBondContact NH1-OH 2.87Å; Y154-I162 HydrophobicContact CD1-CD1 4.09Å; Y154-I162 HydrophobicContact CE1-CD1 4.45Å; Y154-D172 HydrophobicContact CE1-CB 3.88Å |
| 155 | V | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 109 | K131 V132 V133 G170 | K131-V155 HydrophobicContact CB-CG1 4.11Å; K131-V155 HydrophobicContact CD-CG1 3.74Å; V132-V155 CarbonylContact O-C 3.48Å; V132-V155 WeakPolarHBondContact O-CA 3.37Å; V133-V155 HydrophobicContact CB-CG2 4.13Å; V133-V155 HydrophobicContact CG2-CG2 3.82Å; V155-G170 VanDerWaalsContact O-CA 3.26Å; V155-G170 WeakPolarHBondContact O-CA 3.2Å; V155-G170 PolarHBondContact O-N 3.26Å |
| 156 | F | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.8 | 179.1 | -44.9 | -85.7 | 0 | 0 | 0 | 111.2 | L87 V101 F103 K131 V132 T134 I162 | L87-F156 HydrophobicContact CD2-CD2 4.33Å; L87-F156 HydrophobicContact CD2-CE2 3.72Å; L87-F156 HydrophobicContact CD2-CZ 4.38Å; V101-F156 HydrophobicContact CG1-CE1 4.45Å; F103-F156 HydrophobicContact CB-CE1 4.2Å; F103-F156 AromaticContact CD1-CE1 3.95Å; F103-F156 HydrophobicContact CD1-CE1 3.95Å; F103-F156 AromaticContact CD1-CZ 3.74Å; F103-F156 HydrophobicContact CD1-CZ 3.74Å; F103-F156 HydrophobicContact CD2-CE1 4.3Å; F103-F156 HydrophobicContact CD2-CZ 4.06Å; F103-F156 HydrophobicContact CE1-CE1 4.43Å; F103-F156 AromaticContact CE1-CZ 3.76Å; F103-F156 HydrophobicContact CE1-CZ 3.76Å; F103-F156 HydrophobicContact CE2-CZ 4.05Å; F103-F156 AromaticContact CG-CE1 3.89Å; F103-F156 HydrophobicContact CG-CE1 3.89Å; F103-F156 AromaticContact CG-CZ 3.91Å; F103-F156 HydrophobicContact CG-CZ 3.91Å; F103-F156 AromaticContact CZ-CZ 3.92Å; F103-F156 HydrophobicContact CZ-CZ 3.92Å; K131-F156 VanDerWaalsContact CA-O 3.28Å; K131-F156 WeakPolarHBondContact CA-O 3.39Å; K131-F156 WeakPolarHBondContact CB-O 3.41Å; V132-F156 HydrophobicContact CB-CD2 4.32Å; V132-F156 HydrophobicContact CG1-CD2 4.14Å; V132-F156 PolarHBondContact N-O 2.82Å; V132-F156 PolarHBondContact O-N 2.84Å; T134-F156 HydrophobicContact CG2-CE2 3.56Å; T134-F156 HydrophobicContact CG2-CZ 3.88Å; F156-I162 HydrophobicContact CD1-CG1 3.84Å; F156-I162 HydrophobicContact CE1-CD1 4.28Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å |
| 157 | S | 88.6 | Confident | 84.7 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | trans | -56.5 | 167.5 | 161.8 | 62 | 0 | 0 | 0 | 0 | 112.8 | N159 L160 T161 D169 | S157-N159 PolarHBondContact O-N 3.34Å; S157-L160 PolarHBondContact O-N 3.07Å; S157-T161 PolarHBondContact N-O 2.84Å; S157-T161 VanDerWaalsContact N-O 3.15Å; S157-T161 PolarHBondContact OG-N 2.84Å; S157-T161 PolarHBondContact OG-O 3.09Å; S157-T161 PolarHBondContact OG-OG1 3.04Å; S157-D169 WeakPolarHBondContact CB-OD2 3.19Å | ||
| 158 | Q | 88.9 | Confident | 83.1 | Confident | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -17.9 | 173.1 | 74.5 | 177.1 | -95.4 | 0 | 0 | 114.6 | H56 Q58 G129 G130 L160 | H56-Q158 PolarHBondContact NE2-O 2.81Å; Q58-Q158 WeakPolarHBondContact CG-O 3.21Å; Q58-Q158 PolarHBondContact NE2-O 2.74Å; G129-Q158 PolarHBondContact O-NE2 3.13Å; G130-Q158 WeakPolarHBondContact O-CA 3.45Å; G130-Q158 WeakPolarHBondContact O-CB 3.36Å; G130-Q158 PolarHBondContact O-N 3.45Å; Q158-L160 VanDerWaalsContact C-N 3.29Å |
| 159 | N | 90.3 | Very high | 81.2 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.8 | 178.1 | -71.6 | -35.9 | 0 | 0 | 0 | 113.4 | S157 T161 | S157-N159 PolarHBondContact O-N 3.34Å; N159-T161 WeakPolarHBondContact CB-OG1 2.81Å; N159-T161 PolarHBondContact O-N 3.17Å |
| 160 | L | 91.3 | Very high | 79.2 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 58.4 | 29.8 | -171.1 | -56 | 170.6 | 0 | 0 | 0 | 112.3 | L65 L67 K89 V101 V132 S157 Q158 | L65-L160 HydrophobicContact CD1-CD1 4.07Å; L67-L160 HydrophobicContact CD1-CD2 4.24Å; L67-L160 HydrophobicContact CD2-CD1 3.88Å; L67-L160 HydrophobicContact CD2-CD2 4.1Å; K89-L160 HydrophobicContact CB-CD1 3.78Å; K89-L160 HydrophobicContact CD-CD1 3.7Å; K89-L160 HydrophobicContact CG-CD1 4.24Å; V101-L160 HydrophobicContact CG1-CB 4.29Å; V101-L160 HydrophobicContact CG2-CB 4.49Å; V101-L160 HydrophobicContact CG2-CD1 4.22Å; V132-L160 HydrophobicContact CB-CD2 4.06Å; V132-L160 HydrophobicContact CG1-CD2 4.02Å; V132-L160 HydrophobicContact CG2-CD2 3.88Å; S157-L160 PolarHBondContact O-N 3.07Å; Q158-L160 VanDerWaalsContact C-N 3.29Å |
| 161 | T | 89 | Confident | 77.9 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | trans | -117 | 143.5 | 179.7 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | S157 N159 | S157-T161 PolarHBondContact N-O 2.84Å; S157-T161 VanDerWaalsContact N-O 3.15Å; S157-T161 PolarHBondContact OG-N 2.84Å; S157-T161 PolarHBondContact OG-O 3.09Å; S157-T161 PolarHBondContact OG-OG1 3.04Å; N159-T161 WeakPolarHBondContact CB-OG1 2.81Å; N159-T161 PolarHBondContact O-N 3.17Å | ||
| 162 | I | 83.6 | Confident | 77.1 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | trans | -79.1 | 123.1 | 171.4 | -69.9 | 178.1 | 0 | 0 | 0 | 107.9 | F103 Y154 F156 L164 | F103-I162 HydrophobicContact CB-CD1 3.97Å; Y154-I162 HydrophobicContact CD1-CD1 4.09Å; Y154-I162 HydrophobicContact CE1-CD1 4.45Å; F156-I162 HydrophobicContact CD1-CG1 3.84Å; F156-I162 HydrophobicContact CE1-CD1 4.28Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å; I162-L164 HydrophobicContact CG2-CD2 3.72Å; I162-L164 HydrophobicContact CG2-CG 4.07Å | ||
| 163 | N | 70.9 | Confident | 76.7 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -117.3 | 85.5 | -177.3 | 175.9 | 35.5 | 0 | 0 | 0 | 111.3 | S165 D166 D169 | N163-S165 PolarHBondContact O-N 3.28Å; N163-S165 PolarHBondContact OD1-OG 2.98Å; N163-D166 PolarHBondContact O-N 3.18Å; N163-D169 CarbonylContact C-O 3.49Å; N163-D169 HydrophobicContact CB-CB 3.78Å; N163-D169 VanDerWaalsContact O-O 3.08Å | ||
| 164 | L | 66.7 | Low | 76.4 | Confident | 155 Ų | 155 | 50.7 Ų | 50.7 | 81% | 0.812 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 13 | -176.1 | -56.3 | 173.9 | 0 | 0 | 0 | 116 | I162 | I162-L164 HydrophobicContact CG2-CD2 3.72Å; I162-L164 HydrophobicContact CG2-CG 4.07Å |
| 165 | S | 60.4 | Low | 76.2 | Confident | 105 Ų | 105 | 50.8 Ų | 50.8 | 73% | 0.734 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -0.7 | 172.7 | 73.3 | 0 | 0 | 0 | 0 | 114.1 | N163 | N163-S165 PolarHBondContact O-N 3.28Å; N163-S165 PolarHBondContact OD1-OG 2.98Å |
| 166 | D | 63.3 | Low | 76.1 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -111.4 | 120.3 | 161.7 | 159.9 | 31.2 | 0 | 0 | 0 | 106.7 | K131 N163 M168 D169 I227 | K131-D166 IonicContact NZ-OD2 3.57Å; K131-D166 PolarHBondContact NZ-OD2 2.99Å; K131-D166 VanDerWaalsContact NZ-OD2 3.12Å; N163-D166 PolarHBondContact O-N 3.18Å; D166-M168 PolarHBondContact O-N 3.32Å; D166-M168 WeakPolarHBondContact OD1-CB 3.13Å; D166-M168 PolarHBondContact OD1-N 2.82Å; D166-D169 HydrophobicContact CB-CB 4.02Å; D166-D169 PolarHBondContact O-N 3.48Å; D166-D169 WeakPolarHBondContact OD2-CB 3.26Å; D166-D169 PolarHBondContact OD2-N 2.65Å; D166-I227 HydrophobicContact CB-CD1 4.43Å; D166-I227 WeakPolarHBondContact OD1-CD1 3.5Å |
| 167 | D | 53.4 | Low | 76.1 | Confident | 165 Ų | 165 | 53.6 Ų | 53.6 | 88% | 0.882 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.9 | -179 | -66.3 | -45.3 | 0 | 0 | 0 | 112.8 | ||
| 168 | M | 56.5 | Low | 76 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -13 | 175.7 | -54.6 | -58.5 | -149.2 | 0 | 0 | 114.1 | K131 D166 Q224 | K131-M168 PolarHBondContact NZ-O 2.65Å; D166-M168 PolarHBondContact O-N 3.32Å; D166-M168 WeakPolarHBondContact OD1-CB 3.13Å; D166-M168 PolarHBondContact OD1-N 2.82Å; M168-Q224 HydrophobicContact CE-CB 3.99Å; M168-Q224 HydrophobicContact CE-CG 3.9Å; M168-Q224 WeakPolarHBondContact CE-O 3.4Å |
| 169 | D | 55.3 | Low | 75.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -102.6 | 117.1 | 176.9 | -95.6 | -9.2 | 0 | 0 | 0 | 111 | K131 S157 N163 D166 | K131-D169 VanDerWaalsContact CD-OD1 3.27Å; K131-D169 WeakPolarHBondContact CD-OD1 3.43Å; K131-D169 WeakPolarHBondContact CE-OD1 3.07Å; K131-D169 IonicContact NZ-OD1 2.68Å; K131-D169 PolarHBondContact NZ-OD1 3.26Å; S157-D169 WeakPolarHBondContact CB-OD2 3.19Å; N163-D169 CarbonylContact C-O 3.49Å; N163-D169 HydrophobicContact CB-CB 3.78Å; N163-D169 VanDerWaalsContact O-O 3.08Å; D166-D169 HydrophobicContact CB-CB 4.02Å; D166-D169 PolarHBondContact O-N 3.48Å; D166-D169 WeakPolarHBondContact OD2-CB 3.26Å; D166-D169 PolarHBondContact OD2-N 2.65Å |
| 170 | G | 53.7 | Low | 75.6 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 91.5 | 18.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | V155 | V155-G170 VanDerWaalsContact O-CA 3.26Å; V155-G170 WeakPolarHBondContact O-CA 3.2Å; V155-G170 PolarHBondContact O-N 3.26Å |
| 171 | G | 65.6 | Low | 75.1 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | -64 | 141.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W173 | G171-W173 PolarHBondContact O-N 3.26Š| ||
| 172 | D | 79.3 | Confident | 74.9 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 84.7 | 159.2 | 177.3 | 17.4 | 0 | 0 | 0 | 107.6 | R152 Y154 K174 | R152-D172 WeakPolarHBondContact CD-OD1 3.32Å; Y154-D172 HydrophobicContact CE1-CB 3.88Å; D172-K174 VanDerWaalsContact CG-CE 3.41Å; D172-K174 WeakPolarHBondContact O-CE 3.36Å; D172-K174 PolarHBondContact O-N 3.43Å; D172-K174 VanDerWaalsContact O-N 3.13Å; D172-K174 WeakPolarHBondContact OD1-CD 3.34Å; D172-K174 WeakPolarHBondContact OD2-CD 3.48Å; D172-K174 WeakPolarHBondContact OD2-CE 3.48Å; D172-K174 IonicContact OD2-NZ 2.7Å; D172-K174 PolarHBondContact OD2-NZ 3.22Å |
| 173 | W | 86.3 | Confident | 75 | Confident | 43 Ų | 43 | 55 Ų | 55 | 16% | 0.163 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 106.4 | -170 | -74.6 | 88.8 | 0 | 0 | 0 | 111.1 | C153 G171 Q193 F208 E223 | C153-W173 HydrophobicContact CB-CB 4.22Å; C153-W173 PolarHBondContact N-O 2.88Å; C153-W173 VanDerWaalsContact N-O 3.07Å; C153-W173 WeakPolarHBondContact O-CB 3.32Å; C153-W173 PolarHBondContact O-N 3.18Å; G171-W173 PolarHBondContact O-N 3.26Å; W173-Q193 PolarHBondContact O-NE2 3.29Å; W173-F208 HydrophobicContact CB-CZ 4.26Å; W173-F208 HydrophobicContact CD2-CE2 4.3Å; W173-F208 HydrophobicContact CD2-CZ 4.34Å; W173-F208 HydrophobicContact CE3-CE2 4.13Å; W173-F208 HydrophobicContact CG-CZ 4.2Å; W173-E223 HydrophobicContact CE3-CG 4.19Å; W173-E223 HydrophobicContact CH2-CB 4.08Å; W173-E223 HydrophobicContact CH2-CG 4.38Å; W173-E223 HydrophobicContact CZ3-CB 3.86Å; W173-E223 HydrophobicContact CZ3-CG 3.65Å |
| 174 | K | 87.9 | Confident | 75.8 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | trans | -133.6 | 57.2 | -175.5 | -67.1 | 173.4 | -58.2 | -171.3 | 0 | 111.8 | Y139 R152 D172 C176 E177 Q193 | Y139-K174 HydrophobicContact CE1-CD 4.15Å; R152-K174 HydrophobicContact CB-CD 4.12Å; R152-K174 HydrophobicContact CB-CG 3.55Å; D172-K174 VanDerWaalsContact CG-CE 3.41Å; D172-K174 WeakPolarHBondContact O-CE 3.36Å; D172-K174 PolarHBondContact O-N 3.43Å; D172-K174 VanDerWaalsContact O-N 3.13Å; D172-K174 WeakPolarHBondContact OD1-CD 3.34Å; D172-K174 WeakPolarHBondContact OD2-CD 3.48Å; D172-K174 WeakPolarHBondContact OD2-CE 3.48Å; D172-K174 IonicContact OD2-NZ 2.7Å; D172-K174 PolarHBondContact OD2-NZ 3.22Å; K174-C176 PolarHBondContact O-N 3.25Å; K174-E177 HydrophobicContact CB-CB 3.97Å; K174-E177 VanDerWaalsContact CD-OE2 3.26Å; K174-E177 WeakPolarHBondContact CD-OE2 3.49Å; K174-E177 WeakPolarHBondContact CE-OE2 3.28Å; K174-E177 IonicContact NZ-OE2 2.64Å; K174-E177 PolarHBondContact NZ-OE2 2.99Å; K174-E177 VanDerWaalsContact NZ-OE2 3.13Å; K174-E177 WeakPolarHBondContact O-CB 3.48Å; K174-E177 PolarHBondContact O-N 3.44Å; K174-Q193 VanDerWaalsContact CA-OE1 3.24Å | ||
| 175 | F | 88.3 | Confident | 76.7 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.1 | -178.9 | 68.3 | -100.5 | 0 | 0 | 0 | 114.4 | R179 Q193 F208 A210 M219 R221 | F175-R179 VanDerWaalsContact O-CZ 3.31Å; F175-R179 PolarHBondContact O-NE 3.3Å; F175-R179 PolarHBondContact O-NH2 3.01Å; F175-Q193 HydrophobicContact CD1-CB 4.44Å; F175-Q193 HydrophobicContact CE1-CB 3.55Å; F175-Q193 HydrophobicContact CE1-CG 4.22Å; F175-Q193 HydrophobicContact CE2-CB 4.15Å; F175-Q193 HydrophobicContact CZ-CB 3.39Å; F175-Q193 HydrophobicContact CZ-CG 4.34Å; F175-F208 HydrophobicContact CD1-CB 4.44Å; F175-F208 HydrophobicContact CD1-CD2 4.29Å; F175-F208 HydrophobicContact CD1-CG 4.49Å; F175-F208 HydrophobicContact CE1-CB 3.49Å; F175-F208 VanDerWaalsContact CE1-CB 3.49Å; F175-F208 HydrophobicContact CE1-CD2 4.11Å; F175-F208 AromaticContact CE1-CG 3.89Å; F175-F208 HydrophobicContact CE1-CG 3.89Å; F175-F208 HydrophobicContact CZ-CB 4.03Å; F175-A210 HydrophobicContact CE2-CB 4.22Å; F175-A210 HydrophobicContact CZ-CB 3.97Å; F175-M219 HydrophobicContact CD2-CE 4.23Å; F175-M219 HydrophobicContact CE2-CE 3.75Å; F175-M219 HydrophobicContact CE2-SD 4.12Å; F175-R221 HydrophobicContact CZ-CB 4.49Å |
| 176 | C | 89.8 | Confident | 78 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -14 | 172.4 | -85.6 | 0 | 0 | 0 | 0 | 115.1 | L150 K174 C191 Q193 | L150-C176 HydrophobicContact CB-CB 4.47Å; K174-C176 PolarHBondContact O-N 3.25Å; C176-C191 HydrophobicContact CB-CB 3.6Å; C176-C191 WeakPolarHBondContact CB-SG 3.38Å; C176-C191 WeakPolarHBondContact SG-CB 3.4Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.9Å; C176-Q193 HydrophobicContact CB-CG 4.49Å |
| 177 | E | 89.6 | Confident | 79.2 | Confident | 61 Ų | 61 | 52 Ų | 52 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 144.7 | 170.8 | -170.3 | 170 | -174.1 | 0 | 0 | 109.8 | K141 L150 K174 R179 | K141-E177 WeakPolarHBondContact CD-OE1 3.48Å; K141-E177 WeakPolarHBondContact CE-OE1 3.39Å; K141-E177 IonicContact NZ-OE1 2.73Å; K141-E177 PolarHBondContact NZ-OE1 2.73Å; L150-E177 HydrophobicContact CD1-CB 4.01Å; L150-E177 HydrophobicContact CD1-CG 4.4Å; K174-E177 HydrophobicContact CB-CB 3.97Å; K174-E177 VanDerWaalsContact CD-OE2 3.26Å; K174-E177 WeakPolarHBondContact CD-OE2 3.49Å; K174-E177 WeakPolarHBondContact CE-OE2 3.28Å; K174-E177 IonicContact NZ-OE2 2.64Å; K174-E177 PolarHBondContact NZ-OE2 2.99Å; K174-E177 VanDerWaalsContact NZ-OE2 3.13Å; K174-E177 WeakPolarHBondContact O-CB 3.48Å; K174-E177 PolarHBondContact O-N 3.44Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 2.82Å |
| 178 | G | 85.5 | Confident | 81.1 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -4.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | E182 | G178-E182 WeakPolarHBondContact CA-OE2 3.23Å; G178-E182 PolarHBondContact N-OE2 2.83Å |
| 179 | R | 87.6 | Confident | 82.7 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | trans | -74.7 | 156.1 | -177.7 | -66.2 | -161.8 | -176.6 | -140 | -1 | 114.2 | F175 E177 G181 E182 Y188 E241 | F175-R179 VanDerWaalsContact O-CZ 3.31Å; F175-R179 PolarHBondContact O-NE 3.3Å; F175-R179 PolarHBondContact O-NH2 3.01Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 2.82Å; R179-G181 PolarHBondContact O-N 2.8Å; R179-G181 VanDerWaalsContact O-N 3.14Å; R179-E182 WeakPolarHBondContact O-CB 3.27Å; R179-E182 PolarHBondContact O-N 2.96Å; R179-Y188 HydrophobicContact CB-CD2 3.82Å; R179-Y188 HydrophobicContact CB-CE2 4.19Å; R179-Y188 HydrophobicContact CB-CG 4.19Å; R179-Y188 PolarHBondContact NH1-OH 2.84Å; R179-E241 IonicContact CZ-OE1 2.78Å; R179-E241 IonicContact CZ-OE2 3.14Å; R179-E241 VanDerWaalsContact NH1-CD 3.33Å; R179-E241 IonicContact NH1-OE1 2.9Å; R179-E241 PolarHBondContact NH1-OE1 3.14Å; R179-E241 IonicContact NH1-OE2 3.05Å; R179-E241 PolarHBondContact NH1-OE2 3.27Å; R179-E241 IonicContact NH2-OE1 2.69Å; R179-E241 PolarHBondContact NH2-OE1 3.36Å | ||
| 180 | D | 83.1 | Confident | 84.6 | Confident | 124 Ų | 124 | 44.1 Ų | 44.1 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 111.4 | 169.8 | 178.9 | 29.8 | 0 | 0 | 0 | 110.9 | R187 | D180-R187 PolarHBondContact O-NH1 3.31Å; D180-R187 VanDerWaalsContact O-NH1 3.08Å; D180-R187 IonicContact OD1-NH1 3.94Å; D180-R187 IonicContact OD2-CZ 2.65Å; D180-R187 IonicContact OD2-NH1 2.76Å; D180-R187 PolarHBondContact OD2-NH1 2.97Å; D180-R187 IonicContact OD2-NH2 3.57Å |
| 181 | G | 81.8 | Confident | 86.5 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 25.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R179 T183 D184 Y188 | R179-G181 PolarHBondContact O-N 2.8Å; R179-G181 VanDerWaalsContact O-N 3.14Å; G181-T183 PolarHBondContact O-N 3.45Å; G181-D184 PolarHBondContact O-N 3.41Å; G181-D184 VanDerWaalsContact O-O 3.13Å; G181-Y188 PolarHBondContact O-N 3.05Å |
| 182 | E | 84.4 | Confident | 88 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -51.5 | -40.4 | 167 | -177.2 | -167.6 | 146.5 | 0 | 0 | 112 | R143 S148 L150 G178 R179 G189 | R143-E182 IonicContact CZ-OE2 2.7Å; R143-E182 IonicContact NH1-OE2 3.87Å; R143-E182 PolarHBondContact NH1-OE2 3.17Å; S148-E182 PolarHBondContact OG-O 2.81Å; L150-E182 HydrophobicContact CD1-CG 3.99Å; L150-E182 HydrophobicContact CD2-CG 3.97Å; G178-E182 WeakPolarHBondContact CA-OE2 3.23Å; G178-E182 PolarHBondContact N-OE2 2.83Å; R179-E182 WeakPolarHBondContact O-CB 3.27Å; R179-E182 PolarHBondContact O-N 2.96Å; E182-G189 WeakPolarHBondContact O-CA 3.41Å; E182-G189 PolarHBondContact O-N 2.93Å; E182-G189 VanDerWaalsContact O-N 3.16Å |
| 183 | T | 84.8 | Confident | 88.8 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -90 | -5 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | R143 G181 H185 | R143-T183 HydrophobicContact CB-CG2 4.28Å; G181-T183 PolarHBondContact O-N 3.45Å; T183-H185 PolarHBondContact O-N 3.43Å |
| 184 | D | 88.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | trans | -87.6 | 110.1 | 175.8 | 178.3 | 13.2 | 0 | 0 | 0 | 109.9 | G181 A186 R187 Y188 G189 | G181-D184 PolarHBondContact O-N 3.41Å; G181-D184 VanDerWaalsContact O-O 3.13Å; D184-A186 PolarHBondContact O-N 3.03Å; D184-A186 WeakPolarHBondContact OD1-CB 3.47Å; D184-A186 PolarHBondContact OD1-N 2.87Å; D184-R187 HydrophobicContact CB-CB 4.21Å; D184-R187 HydrophobicContact CB-CG 4.41Å; D184-R187 CarbonylContact O-C 3.3Å; D184-R187 PolarHBondContact O-N 2.74Å; D184-R187 WeakPolarHBondContact OD2-CD 3.34Å; D184-R187 VanDerWaalsContact OD2-CG 3.27Å; D184-R187 WeakPolarHBondContact OD2-CG 3.45Å; D184-R187 IonicContact OD2-NE 3.99Å; D184-Y188 PolarHBondContact O-N 3.13Å; D184-G189 PolarHBondContact O-N 3.28Å | ||
| 185 | H | 85.9 | Confident | 89.6 | Confident | 92 Ų | 92 | 39.4 Ų | 39.4 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -31.7 | 172.8 | 166.1 | -76 | 0 | 0 | 0 | 113.2 | T183 R187 W216 | T183-H185 PolarHBondContact O-N 3.43Å; H185-R187 PolarHBondContact O-N 3.06Å; H185-W216 AromaticContact CE1-CH2 3.16Å; H185-W216 WeakPolarHBondContact CE1-CH2 3.44Å; H185-W216 AromaticContact CE1-CZ2 3.81Å; H185-W216 AromaticContact CE1-CZ3 3.61Å; H185-W216 AromaticContact NE2-CH2 3.27Å; H185-W216 VanDerWaalsContact NE2-CH2 3.27Å; H185-W216 WeakPolarHBondContact NE2-CH2 3.46Å; H185-W216 AromaticContact NE2-CZ2 3.49Å; H185-W216 WeakPolarHBondContact NE2-CZ2 3.49Å |
| 186 | A | 87.5 | Confident | 90 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D184 R214 N215 | D184-A186 PolarHBondContact O-N 3.03Å; D184-A186 WeakPolarHBondContact OD1-CB 3.47Å; D184-A186 PolarHBondContact OD1-N 2.87Å; A186-R214 CarbonylContact O-C 3.51Å; A186-N215 WeakPolarHBondContact CA-OD1 3.34Å; A186-N215 PolarHBondContact O-N 3.03Å |
| 187 | R | 89.1 | Confident | 90.3 | Very high | 106 Ų | 106 | 39 Ų | 39 | 40% | 0.4 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -77.3 | -176.3 | -70 | 171.4 | 171.1 | -138.8 | 11.9 | 112.7 | D180 D184 H185 R214 | D180-R187 PolarHBondContact O-NH1 3.31Å; D180-R187 VanDerWaalsContact O-NH1 3.08Å; D180-R187 IonicContact OD1-NH1 3.94Å; D180-R187 IonicContact OD2-CZ 2.65Å; D180-R187 IonicContact OD2-NH1 2.76Å; D180-R187 PolarHBondContact OD2-NH1 2.97Å; D180-R187 IonicContact OD2-NH2 3.57Å; D184-R187 HydrophobicContact CB-CB 4.21Å; D184-R187 HydrophobicContact CB-CG 4.41Å; D184-R187 CarbonylContact O-C 3.3Å; D184-R187 PolarHBondContact O-N 2.74Å; D184-R187 WeakPolarHBondContact OD2-CD 3.34Å; D184-R187 VanDerWaalsContact OD2-CG 3.27Å; D184-R187 WeakPolarHBondContact OD2-CG 3.45Å; D184-R187 IonicContact OD2-NE 3.99Å; H185-R187 PolarHBondContact O-N 3.06Å; R187-R214 PolarHBondContact O-N 2.99Å |
| 188 | Y | 91.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -9.9 | -171.5 | -69.4 | -72.9 | 0 | 0 | 0 | 114.1 | L150 R179 G181 D184 V190 C191 A213 R214 M219 | L150-Y188 WeakPolarHBondContact CD2-O 3.49Å; R179-Y188 HydrophobicContact CB-CD2 3.82Å; R179-Y188 HydrophobicContact CB-CE2 4.19Å; R179-Y188 HydrophobicContact CB-CG 4.19Å; R179-Y188 PolarHBondContact NH1-OH 2.84Å; G181-Y188 PolarHBondContact O-N 3.05Å; D184-Y188 PolarHBondContact O-N 3.13Å; Y188-V190 PolarHBondContact O-N 3.24Å; Y188-C191 WeakPolarHBondContact O-CB 3.24Å; Y188-C191 PolarHBondContact O-N 2.86Å; Y188-A213 HydrophobicContact CD1-CB 4.35Å; Y188-A213 HydrophobicContact CE1-CB 4.33Å; Y188-R214 PolarHBondContact OH-NE 2.68Å; Y188-R214 PolarHBondContact OH-NH2 2.86Å; Y188-M219 HydrophobicContact CE1-SD 3.78Å |
| 189 | G | 91.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S148 V149 E182 D184 | S148-G189 CarbonylContact C-O 3.3Å; S148-G189 WeakPolarHBondContact CA-O 3.46Å; V149-G189 PolarHBondContact N-O 3.01Å; E182-G189 WeakPolarHBondContact O-CA 3.41Å; E182-G189 PolarHBondContact O-N 2.93Å; E182-G189 VanDerWaalsContact O-N 3.16Å; D184-G189 PolarHBondContact O-N 3.28Å |
| 190 | V | 94.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 38.5 | 167.3 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | V149 Y188 Q192 G212 | V149-V190 CarbonylContact O-C 3.52Å; V149-V190 WeakPolarHBondContact O-CA 3.28Å; Y188-V190 PolarHBondContact O-N 3.24Å; V190-Q192 VanDerWaalsContact C-N 3.3Å; V190-Q192 PolarHBondContact O-N 2.95Å; V190-G212 CarbonylContact O-C 3.28Å; V190-G212 WeakPolarHBondContact O-CA 3.49Å |
| 191 | C | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -52.2 | -42.3 | -175.9 | 165.9 | 0 | 0 | 0 | 0 | 113.9 | V149 C176 Y188 Q193 A210 G212 | V149-C191 PolarHBondContact O-N 3.45Å; C176-C191 HydrophobicContact CB-CB 3.6Å; C176-C191 WeakPolarHBondContact CB-SG 3.38Å; C176-C191 WeakPolarHBondContact SG-CB 3.4Å; C176-C191 CovalentContact SG-SG 2.03Å; C176-C191 PolarHBondContact SG-SG 2.9Å; Y188-C191 WeakPolarHBondContact O-CB 3.24Å; Y188-C191 PolarHBondContact O-N 2.86Å; C191-Q193 VanDerWaalsContact C-N 3.33Å; C191-Q193 PolarHBondContact O-N 3.02Å; C191-A210 CarbonylContact O-C 3.52Å; C191-A210 WeakPolarHBondContact O-CB 3.47Å; C191-A210 VanDerWaalsContact SG-CB 3.59Å; C191-G212 PolarHBondContact O-N 3.43Å | ||
| 192 | Q | 96.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 33 Ų | 33 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | trans | 51.2 | 44.6 | -176.2 | -57 | -169.5 | -94 | 0 | 0 | 114.1 | H137 V149 L150 V190 | H137-Q192 WeakPolarHBondContact O-CA 3.5Å; V149-Q192 HydrophobicContact CG1-CG 4.23Å; V149-Q192 PolarHBondContact O-N 2.95Å; L150-Q192 WeakPolarHBondContact O-CA 3.47Å; L150-Q192 PolarHBondContact O-N 2.98Å; V190-Q192 VanDerWaalsContact C-N 3.3Å; V190-Q192 PolarHBondContact O-N 2.95Å | ||
| 193 | Q | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 141.9 | 178 | 54 | 154.8 | 102.7 | 0 | 0 | 112.3 | L150 G151 W173 K174 F175 C176 C191 A210 | L150-Q193 VanDerWaalsContact O-CG 3.24Å; L150-Q193 WeakPolarHBondContact O-CG 3.39Å; L150-Q193 PolarHBondContact O-N 3.33Å; G151-Q193 VanDerWaalsContact C-CG 3.49Å; G151-Q193 WeakPolarHBondContact O-CG 3.43Å; W173-Q193 PolarHBondContact O-NE2 3.29Å; K174-Q193 VanDerWaalsContact CA-OE1 3.24Å; F175-Q193 HydrophobicContact CD1-CB 4.44Å; F175-Q193 HydrophobicContact CE1-CB 3.55Å; F175-Q193 HydrophobicContact CE1-CG 4.22Å; F175-Q193 HydrophobicContact CE2-CB 4.15Å; F175-Q193 HydrophobicContact CZ-CB 3.39Å; F175-Q193 HydrophobicContact CZ-CG 4.34Å; C176-Q193 HydrophobicContact CB-CG 4.49Å; C191-Q193 VanDerWaalsContact C-N 3.33Å; C191-Q193 PolarHBondContact O-N 3.02Å; Q193-A210 HydrophobicContact CB-CB 3.99Å |
| 194 | G | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 24 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S122 C135 G209 | S122-G194 PolarHBondContact OG-O 2.91Å; S122-G194 VanDerWaalsContact OG-O 3.06Å; C135-G194 WeakPolarHBondContact CB-O 3.42Å; G194-G209 PolarHBondContact N-O 3.35Å |
| 195 | L | 96.6 | Very high | 90.6 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 20% | 0.199 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -71.6 | -54.4 | 160.3 | -179 | 66.2 | 0 | 0 | 0 | 109.2 | V121 H137 P211 F259 | V121-L195 HydrophobicContact CG2-CD1 3.94Å; H137-L195 HydrophobicContact CB-CB 4.07Å; L195-P211 HydrophobicContact CB-CG 4.18Å; L195-P211 HydrophobicContact CD2-CG 3.81Å; L195-F259 HydrophobicContact CD2-CD2 3.56Å; L195-F259 HydrophobicContact CD2-CE2 3.65Å; L195-F259 HydrophobicContact CD2-CG 4.26Å; L195-F259 HydrophobicContact CD2-CZ 4.41Å |
| 196 | G | 96.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -90.3 | 135.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G209 | G196-G209 WeakPolarHBondContact O-CA 3.44Å; G196-G209 PolarHBondContact O-N 3.33Å |
| 197 | V | 96.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147 | 166.3 | 67.7 | 0 | 0 | 0 | 0 | 108.7 | S122 Q124 V133 V206 V207 F208 | S122-V197 WeakPolarHBondContact OG-CG1 3.43Å; Q124-V197 HydrophobicContact CB-CG1 4.41Å; Q124-V197 HydrophobicContact CG-CG1 4.12Å; Q124-V197 WeakPolarHBondContact CG-O 3.48Å; V133-V197 HydrophobicContact CG1-CG1 4.05Å; V133-V197 HydrophobicContact CG1-CG2 3.72Å; V133-V197 HydrophobicContact CG2-CG2 4.11Å; V197-V206 HydrophobicContact CG2-CG2 3.99Å; V197-V207 VanDerWaalsContact CA-O 3.31Å; V197-V207 WeakPolarHBondContact CA-O 3.33Å; V197-F208 HydrophobicContact CB-CD1 4.31Å; V197-F208 HydrophobicContact CG2-CD1 3.6Å; V197-F208 HydrophobicContact CG2-CE1 3.67Å |
| 198 | T | 95.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 162.4 | 171.8 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | V207 L261 T263 | T198-V207 HydrophobicContact CG2-CB 3.92Å; T198-V207 HydrophobicContact CG2-CG2 4.29Å; T198-V207 PolarHBondContact N-O 2.93Å; T198-V207 PolarHBondContact O-N 2.92Å; T198-L261 HydrophobicContact CG2-CB 3.66Å; T198-T263 HydrophobicContact CG2-CG2 3.81Å |
| 199 | F | 93.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 153.9 | 169.4 | -71 | -73.3 | 0 | 0 | 0 | 110.2 | Q124 Q126 K131 V133 V206 T263 | Q124-F199 HydrophobicContact CB-CD2 4.29Å; Q124-F199 HydrophobicContact CB-CE2 4.41Å; Q126-F199 HydrophobicContact CG-CB 3.88Å; Q126-F199 HydrophobicContact CG-CD1 3.68Å; Q126-F199 HydrophobicContact CG-CD2 3.54Å; Q126-F199 HydrophobicContact CG-CE1 3.98Å; Q126-F199 HydrophobicContact CG-CE2 3.85Å; Q126-F199 HydrophobicContact CG-CG 3.44Å; Q126-F199 VanDerWaalsContact CG-CG 3.44Å; Q126-F199 HydrophobicContact CG-CZ 4.05Å; Q126-F199 VanDerWaalsContact NE2-CE1 3.29Å; K131-F199 HydrophobicContact CB-CE1 4.47Å; K131-F199 HydrophobicContact CB-CZ 4.13Å; V133-F199 HydrophobicContact CB-CE2 4.13Å; V133-F199 HydrophobicContact CB-CZ 3.86Å; V133-F199 HydrophobicContact CG1-CD2 4.35Å; V133-F199 HydrophobicContact CG1-CE2 3.6Å; V133-F199 HydrophobicContact CG1-CZ 3.77Å; F199-V206 HydrophobicContact CD1-CB 3.8Å; F199-V206 HydrophobicContact CD1-CG2 3.87Å; F199-V206 HydrophobicContact CE1-CB 3.8Å; F199-V206 HydrophobicContact CE1-CG2 3.76Å; F199-V206 HydrophobicContact CZ-CG2 4.44Å; F199-T263 PolarHBondContact O-OG1 3.46Å |
| 200 | T | 90.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | trans | -72.2 | 141.8 | 171.2 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | D202 Y203 H204 Y205 V207 T263 L273 | T200-D202 WeakPolarHBondContact CB-OD1 3.06Å; T200-D202 PolarHBondContact O-N 2.86Å; T200-D202 PolarHBondContact OG1-OD1 3.16Å; T200-Y203 PolarHBondContact O-N 3Å; T200-H204 PolarHBondContact OG1-N 2.86Å; T200-Y205 HydrophobicContact CG2-CD2 3.94Å; T200-Y205 HydrophobicContact CG2-CG 4.38Å; T200-Y205 PolarHBondContact N-O 3.16Å; T200-Y205 PolarHBondContact OG1-N 2.88Å; T200-Y205 PolarHBondContact OG1-O 2.79Å; T200-V207 HydrophobicContact CG2-CG2 3.96Å; T200-T263 WeakPolarHBondContact CA-OG1 3.36Å; T200-T263 HydrophobicContact CG2-CG2 4.11Å; T200-L273 HydrophobicContact CG2-CD1 3.9Å; T200-L273 HydrophobicContact CG2-CD2 3.64Å; T200-L273 HydrophobicContact CG2-CG 4.41Å | ||
| 201 | K | 85.5 | Confident | 92 | Very high | 97 Ų | 97 | 22 Ų | 22 | 42% | 0.422 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.2 | -177.2 | -46.7 | -62.3 | -159.7 | -164.4 | 0 | 113.8 | D262 T263 | K201-D262 WeakPolarHBondContact CE-OD1 3.39Å; K201-D262 IonicContact NZ-OD1 2.65Å; K201-D262 PolarHBondContact NZ-OD1 2.96Å; K201-D262 IonicContact NZ-OD2 2.77Å; K201-D262 PolarHBondContact NZ-OD2 2.91Å; K201-T263 WeakPolarHBondContact CE-O 3.25Å; K201-T263 WeakPolarHBondContact CG-O 3.36Å; K201-T263 PolarHBondContact N-OG1 2.82Å |
| 202 | D | 82.4 | Confident | 92.1 | Very high | 62 Ų | 62 | 22 Ų | 22 | 33% | 0.332 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.6 | 171.9 | 67.4 | -10.4 | 0 | 0 | 0 | 113.8 | T200 H204 H265 | T200-D202 WeakPolarHBondContact CB-OD1 3.06Å; T200-D202 PolarHBondContact O-N 2.86Å; T200-D202 PolarHBondContact OG1-OD1 3.16Å; D202-H204 PolarHBondContact O-N 3.03Å; D202-H204 WeakPolarHBondContact OD1-CB 3.21Å; D202-H204 PolarHBondContact OD1-N 3.23Å; D202-H265 IonicContact OD2-CE1 3.56Å; D202-H265 IonicContact OD2-NE2 2.64Å; D202-H265 PolarHBondContact OD2-NE2 3.4Å |
| 203 | Y | 80.7 | Confident | 91.9 | Very high | 123 Ų | 123 | 19.7 Ų | 19.7 | 48% | 0.482 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 58 | 29.3 | 179.7 | -42.8 | -55 | 0 | 0 | 0 | 114.4 | Q126 T200 | Q126-Y203 HydrophobicContact CB-CD1 3.83Å; Q126-Y203 HydrophobicContact CB-CE1 4.19Å; Q126-Y203 HydrophobicContact CG-CD1 4.11Å; Q126-Y203 WeakPolarHBondContact O-CE1 3.46Å; T200-Y203 PolarHBondContact O-N 3Å |
| 204 | H | 77.9 | Confident | 91.7 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 18% | 0.181 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -98.9 | -33.5 | -175.5 | -156 | 91.8 | 0 | 0 | 0 | 114.3 | T200 D202 D225 N226 L229 D237 | T200-H204 PolarHBondContact OG1-N 2.86Å; D202-H204 PolarHBondContact O-N 3.03Å; D202-H204 WeakPolarHBondContact OD1-CB 3.21Å; D202-H204 PolarHBondContact OD1-N 3.23Å; H204-D225 PolarHBondContact O-N 2.85Å; H204-N226 PolarHBondContact CE1-ND2 3.28Å; H204-N226 VanDerWaalsContact CE1-ND2 3.32Å; H204-L229 WeakPolarHBondContact NE2-CD1 3.49Å; H204-L229 WeakPolarHBondContact NE2-CG 3.38Å; H204-D237 IonicContact CD2-OD2 3.79Å |
| 205 | Y | 86.9 | Confident | 91.6 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 8% | 0.075 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.2 | -175.7 | -48.4 | -86.5 | 0 | 0 | 0 | 112 | T200 V222 E223 Q224 D237 Y240 L273 K293 | T200-Y205 HydrophobicContact CG2-CD2 3.94Å; T200-Y205 HydrophobicContact CG2-CG 4.38Å; T200-Y205 PolarHBondContact N-O 3.16Å; T200-Y205 PolarHBondContact OG1-N 2.88Å; T200-Y205 PolarHBondContact OG1-O 2.79Å; Y205-V222 HydrophobicContact CD1-CG1 3.73Å; Y205-V222 HydrophobicContact CD2-CG1 4.37Å; Y205-V222 HydrophobicContact CG-CG1 3.64Å; Y205-E223 CarbonylContact C-O 3.52Å; Y205-E223 VanDerWaalsContact CA-O 3.22Å; Y205-E223 WeakPolarHBondContact CA-O 3.06Å; Y205-E223 VanDerWaalsContact CB-O 3.27Å; Y205-E223 WeakPolarHBondContact CB-O 3.42Å; Y205-Q224 HydrophobicContact CD1-CB 4.42Å; Y205-D237 WeakPolarHBondContact CE1-O 3.44Å; Y205-D237 WeakPolarHBondContact CE1-OD2 3.26Å; Y205-D237 VanDerWaalsContact CZ-OD2 3.29Å; Y205-D237 PolarHBondContact OH-OD2 3.2Å; Y205-Y240 AromaticContact CE1-CE2 3.99Å; Y205-Y240 HydrophobicContact CE1-CE2 3.99Å; Y205-L273 HydrophobicContact CD2-CD2 3.86Å; Y205-L273 HydrophobicContact CE2-CD2 3.96Å; Y205-K293 PolarHBondContact OH-NZ 2.88Å |
| 206 | V | 90 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.6 | 161.2 | 66.8 | 0 | 0 | 0 | 0 | 109.4 | V197 F199 F208 E223 | V197-V206 HydrophobicContact CG2-CG2 3.99Å; F199-V206 HydrophobicContact CD1-CB 3.8Å; F199-V206 HydrophobicContact CD1-CG2 3.87Å; F199-V206 HydrophobicContact CE1-CB 3.8Å; F199-V206 HydrophobicContact CE1-CG2 3.76Å; F199-V206 HydrophobicContact CZ-CG2 4.44Å; V206-F208 HydrophobicContact CG1-CD2 4.36Å; V206-F208 HydrophobicContact CG1-CE2 3.55Å; V206-F208 HydrophobicContact CG1-CZ 3.8Å; V206-F208 HydrophobicContact CG2-CE1 4.18Å; V206-F208 HydrophobicContact CG2-CE2 4.3Å; V206-F208 HydrophobicContact CG2-CZ 3.93Å; V206-E223 HydrophobicContact CG1-CB 3.92Å; V206-E223 PolarHBondContact N-O 3.09Å; V206-E223 PolarHBondContact O-N 2.99Å |
| 207 | V | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.7 | -175.3 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | V197 T198 T200 V220 V222 L261 T263 V275 | V197-V207 VanDerWaalsContact CA-O 3.31Å; V197-V207 WeakPolarHBondContact CA-O 3.33Å; T198-V207 HydrophobicContact CG2-CB 3.92Å; T198-V207 HydrophobicContact CG2-CG2 4.29Å; T198-V207 PolarHBondContact N-O 2.93Å; T198-V207 PolarHBondContact O-N 2.92Å; T200-V207 HydrophobicContact CG2-CG2 3.96Å; V207-V220 HydrophobicContact CG1-CG1 3.63Å; V207-V222 HydrophobicContact CB-CG2 4.45Å; V207-V222 HydrophobicContact CG1-CG2 3.9Å; V207-V222 HydrophobicContact CG2-CG1 4.49Å; V207-V222 HydrophobicContact CG2-CG2 4.04Å; V207-L261 HydrophobicContact CB-CD1 4.45Å; V207-L261 HydrophobicContact CG1-CD1 3.96Å; V207-L261 HydrophobicContact CG1-CD2 4.37Å; V207-T263 HydrophobicContact CG2-CG2 3.99Å; V207-V275 HydrophobicContact CG1-CG1 3.88Å; V207-V275 HydrophobicContact CG2-CG2 4.48Å |
| 208 | F | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.4 | -179.6 | -63 | -70.5 | 0 | 0 | 0 | 112.1 | V133 C153 W173 F175 V197 V206 V220 R221 E223 | V133-F208 HydrophobicContact CG2-CE1 4.17Å; C153-F208 HydrophobicContact CB-CE1 3.74Å; C153-F208 HydrophobicContact CB-CZ 4.36Å; C153-F208 VanDerWaalsContact SG-CE1 3.55Å; W173-F208 HydrophobicContact CB-CZ 4.26Å; W173-F208 HydrophobicContact CD2-CE2 4.3Å; W173-F208 HydrophobicContact CD2-CZ 4.34Å; W173-F208 HydrophobicContact CE3-CE2 4.13Å; W173-F208 HydrophobicContact CG-CZ 4.2Å; F175-F208 HydrophobicContact CD1-CB 4.44Å; F175-F208 HydrophobicContact CD1-CD2 4.29Å; F175-F208 HydrophobicContact CD1-CG 4.49Å; F175-F208 HydrophobicContact CE1-CB 3.49Å; F175-F208 VanDerWaalsContact CE1-CB 3.49Å; F175-F208 HydrophobicContact CE1-CD2 4.11Å; F175-F208 AromaticContact CE1-CG 3.89Å; F175-F208 HydrophobicContact CE1-CG 3.89Å; F175-F208 HydrophobicContact CZ-CB 4.03Å; V197-F208 HydrophobicContact CB-CD1 4.31Å; V197-F208 HydrophobicContact CG2-CD1 3.6Å; V197-F208 HydrophobicContact CG2-CE1 3.67Å; V206-F208 HydrophobicContact CG1-CD2 4.36Å; V206-F208 HydrophobicContact CG1-CE2 3.55Å; V206-F208 HydrophobicContact CG1-CZ 3.8Å; V206-F208 HydrophobicContact CG2-CE1 4.18Å; V206-F208 HydrophobicContact CG2-CE2 4.3Å; V206-F208 HydrophobicContact CG2-CZ 3.93Å; F208-V220 WeakPolarHBondContact O-CA 3.42Å; F208-R221 PolarHBondContact N-O 2.91Å; F208-R221 PolarHBondContact O-N 3.13Å; F208-E223 HydrophobicContact CD2-CG 3.94Å; F208-E223 HydrophobicContact CE2-CB 4.44Å; F208-E223 HydrophobicContact CE2-CG 3.88Å |
| 209 | G | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G194 G196 G258 | G194-G209 PolarHBondContact N-O 3.35Å; G196-G209 WeakPolarHBondContact O-CA 3.44Å; G196-G209 PolarHBondContact O-N 3.33Å; G209-G258 VanDerWaalsContact CA-O 3.32Å; G209-G258 WeakPolarHBondContact CA-O 3.19Å |
| 210 | A | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 79.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F175 C191 Q193 G212 A213 G218 M219 | F175-A210 HydrophobicContact CE2-CB 4.22Å; F175-A210 HydrophobicContact CZ-CB 3.97Å; C191-A210 CarbonylContact O-C 3.52Å; C191-A210 WeakPolarHBondContact O-CB 3.47Å; C191-A210 VanDerWaalsContact SG-CB 3.59Å; Q193-A210 HydrophobicContact CB-CB 3.99Å; A210-G212 VanDerWaalsContact C-N 3.26Å; A210-G212 PolarHBondContact O-N 2.85Å; A210-A213 HydrophobicContact CB-CB 4.5Å; A210-A213 PolarHBondContact O-N 2.89Å; A210-G218 VanDerWaalsContact O-CA 3.31Å; A210-G218 WeakPolarHBondContact O-CA 3.33Å; A210-M219 HydrophobicContact CB-CG 3.69Å; A210-M219 HydrophobicContact CB-SD 4.41Å; A210-M219 PolarHBondContact N-O 3.48Å; A210-M219 PolarHBondContact O-N 3.19Å; A210-M219 VanDerWaalsContact O-N 3.08Å |
| 211 | P | 96.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.1 | -167.8 | 26.7 | -34.9 | 0 | 0 | 0 | 114.5 | L195 W216 G218 Y256 L257 | L195-P211 HydrophobicContact CB-CG 4.18Å; L195-P211 HydrophobicContact CD2-CG 3.81Å; P211-W216 CarbonylContact O-C 3.49Å; P211-W216 WeakPolarHBondContact O-CA 3.22Å; P211-G218 WeakPolarHBondContact O-CA 3.27Å; P211-G218 PolarHBondContact O-N 2.89Å; P211-Y256 HydrophobicContact CB-CG 4.37Å; P211-L257 WeakPolarHBondContact CA-O 3.48Å |
| 212 | G | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -14.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V190 C191 A210 W216 | V190-G212 CarbonylContact O-C 3.28Å; V190-G212 WeakPolarHBondContact O-CA 3.49Å; C191-G212 PolarHBondContact O-N 3.43Å; A210-G212 VanDerWaalsContact C-N 3.26Å; A210-G212 PolarHBondContact O-N 2.85Å; G212-W216 WeakPolarHBondContact O-CA 3.36Å; G212-W216 PolarHBondContact O-N 3.35Å; G212-W216 VanDerWaalsContact O-N 3.09Å |
| 213 | A | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | 147.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y188 A210 W216 K217 G218 M219 | Y188-A213 HydrophobicContact CD1-CB 4.35Å; Y188-A213 HydrophobicContact CE1-CB 4.33Å; A210-A213 HydrophobicContact CB-CB 4.5Å; A210-A213 PolarHBondContact O-N 2.89Å; A213-W216 PolarHBondContact O-N 2.97Å; A213-K217 PolarHBondContact O-N 3.46Å; A213-G218 PolarHBondContact O-N 3.37Å; A213-M219 HydrophobicContact CB-CB 4.45Å; A213-M219 HydrophobicContact CB-CG 3.78Å; A213-M219 HydrophobicContact CB-SD 3.78Å |
| 214 | R | 90.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 18.7 Ų | 18.7 | 33% | 0.332 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | 51.6 | 70.3 | 175.7 | -59.5 | 177.4 | -179.2 | 158.7 | 1.5 | 112.3 | A186 R187 Y188 W216 K217 E241 F242 | A186-R214 CarbonylContact O-C 3.51Å; R187-R214 PolarHBondContact O-N 2.99Å; Y188-R214 PolarHBondContact OH-NE 2.68Å; Y188-R214 PolarHBondContact OH-NH2 2.86Å; R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 3.21Å; R214-K217 HydrophobicContact CB-CB 4.37Å; R214-K217 WeakPolarHBondContact O-CB 3.45Å; R214-K217 PolarHBondContact O-N 2.85Å; R214-E241 IonicContact NH2-OE2 2.68Å; R214-F242 PolarHBondContact NH1-O 2.99Å |
| 215 | N | 92.2 | Very high | 90.6 | Very high | 70 Ų | 70 | 17.2 Ų | 17.2 | 37% | 0.374 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | 49.8 | 46.6 | -173.5 | -78.5 | -52.8 | 0 | 0 | 0 | 112.9 | A186 K217 A253 H254 | A186-N215 WeakPolarHBondContact CA-OD1 3.34Å; A186-N215 PolarHBondContact O-N 3.03Å; N215-K217 PolarHBondContact O-N 2.81Å; N215-A253 HydrophobicContact CB-CB 4.29Å; N215-H254 PolarHBondContact O-N 3Å; N215-H254 PolarHBondContact O-ND1 2.85Å |
| 216 | W | 94.3 | Very high | 89.2 | Confident | 63 Ų | 63 | 18.1 Ų | 18.1 | 24% | 0.239 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | 51.5 | 23.8 | -174.8 | -52.4 | -94.8 | 0 | 0 | 0 | 115 | H185 P211 G212 A213 R214 G218 H254 S255 Y256 | H185-W216 AromaticContact CE1-CH2 3.16Å; H185-W216 WeakPolarHBondContact CE1-CH2 3.44Å; H185-W216 AromaticContact CE1-CZ2 3.81Å; H185-W216 AromaticContact CE1-CZ3 3.61Å; H185-W216 AromaticContact NE2-CH2 3.27Å; H185-W216 VanDerWaalsContact NE2-CH2 3.27Å; H185-W216 WeakPolarHBondContact NE2-CH2 3.46Å; H185-W216 AromaticContact NE2-CZ2 3.49Å; H185-W216 WeakPolarHBondContact NE2-CZ2 3.49Å; P211-W216 CarbonylContact O-C 3.49Å; P211-W216 WeakPolarHBondContact O-CA 3.22Å; G212-W216 WeakPolarHBondContact O-CA 3.36Å; G212-W216 PolarHBondContact O-N 3.35Å; G212-W216 VanDerWaalsContact O-N 3.09Å; A213-W216 PolarHBondContact O-N 2.97Å; R214-W216 VanDerWaalsContact C-N 3.3Å; R214-W216 PolarHBondContact O-N 3.21Å; W216-G218 PolarHBondContact O-N 3.33Å; W216-H254 AromaticContact CE3-CE1 3.53Å; W216-H254 AromaticContact CE3-ND1 3.35Å; W216-H254 VanDerWaalsContact CE3-ND1 3.35Å; W216-H254 AromaticContact CZ3-CE1 3.79Å; W216-H254 AromaticContact CZ3-ND1 3.96Å; W216-H254 CarbonylContact O-C 3.56Å; W216-H254 VanDerWaalsContact O-C 3.26Å; W216-H254 WeakPolarHBondContact O-CA 3.42Å; W216-H254 PolarHBondContact O-N 3.3Å; W216-S255 PolarHBondContact O-N 3.25Å; W216-Y256 HydrophobicContact CB-CD1 3.83Å; W216-Y256 HydrophobicContact CB-CE1 3.68Å; W216-Y256 AromaticContact CD1-CE1 3.85Å; W216-Y256 AromaticContact CG-CE1 3.97Å; W216-Y256 HydrophobicContact CG-CE1 3.97Å; W216-Y256 PolarHBondContact O-N 2.74Å |
| 217 | K | 93.3 | Very high | 87.3 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -39.8 | 162.9 | 176.5 | 165.8 | 173 | 132.1 | 0 | 109.2 | A213 R214 N215 D244 V251 L257 | A213-K217 PolarHBondContact O-N 3.46Å; R214-K217 HydrophobicContact CB-CB 4.37Å; R214-K217 WeakPolarHBondContact O-CB 3.45Å; R214-K217 PolarHBondContact O-N 2.85Å; N215-K217 PolarHBondContact O-N 2.81Å; K217-D244 IonicContact NZ-OD1 3.37Å; K217-D244 PolarHBondContact NZ-OD1 3Å; K217-D244 IonicContact NZ-OD2 3.07Å; K217-D244 PolarHBondContact NZ-OD2 2.87Å; K217-V251 WeakPolarHBondContact CE-O 3.46Å; K217-V251 HydrophobicContact CG-CG1 4.17Å; K217-V251 PolarHBondContact NZ-O 2.84Å; K217-L257 VanDerWaalsContact O-CB 3.25Å; K217-L257 WeakPolarHBondContact O-CB 3.11Å; K217-L257 PolarHBondContact O-N 3.34Å |
| 218 | G | 93.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | 85.9 | 164 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A210 P211 A213 W216 L257 | A210-G218 VanDerWaalsContact O-CA 3.31Å; A210-G218 WeakPolarHBondContact O-CA 3.33Å; P211-G218 WeakPolarHBondContact O-CA 3.27Å; P211-G218 PolarHBondContact O-N 2.89Å; A213-G218 PolarHBondContact O-N 3.37Å; W216-G218 PolarHBondContact O-N 3.33Å; G218-L257 CarbonylContact C-O 3.53Å; G218-L257 VanDerWaalsContact CA-O 3.29Å; G218-L257 WeakPolarHBondContact CA-O 3.37Å |
| 219 | M | 91.6 | Very high | 83 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.1 | 175.2 | 65.3 | -178.3 | -78.9 | 0 | 0 | 111.3 | F175 Y188 A210 A213 R221 L257 | F175-M219 HydrophobicContact CD2-CE 4.23Å; F175-M219 HydrophobicContact CE2-CE 3.75Å; F175-M219 HydrophobicContact CE2-SD 4.12Å; Y188-M219 HydrophobicContact CE1-SD 3.78Å; A210-M219 HydrophobicContact CB-CG 3.69Å; A210-M219 HydrophobicContact CB-SD 4.41Å; A210-M219 PolarHBondContact N-O 3.48Å; A210-M219 PolarHBondContact O-N 3.19Å; A210-M219 VanDerWaalsContact O-N 3.08Å; A213-M219 HydrophobicContact CB-CB 4.45Å; A213-M219 HydrophobicContact CB-CG 3.78Å; A213-M219 HydrophobicContact CB-SD 3.78Å; M219-R221 HydrophobicContact CE-CB 4.22Å; M219-L257 PolarHBondContact N-O 3.2Å |
| 220 | V | 94.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.6 | 169.1 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | V207 F208 F242 L257 L261 V275 A277 L291 L299 | V207-V220 HydrophobicContact CG1-CG1 3.63Å; F208-V220 WeakPolarHBondContact O-CA 3.42Å; V220-F242 PolarHBondContact O-N 2.88Å; V220-F242 VanDerWaalsContact O-N 3.07Å; V220-L257 HydrophobicContact CG2-CD1 4.43Å; V220-L257 HydrophobicContact CG2-CG 4.11Å; V220-L261 HydrophobicContact CG1-CD2 4.03Å; V220-L261 HydrophobicContact CG2-CD2 4.05Å; V220-V275 HydrophobicContact CG1-CG1 4.11Å; V220-A277 HydrophobicContact CG2-CB 3.76Å; V220-L291 HydrophobicContact CB-CD1 3.83Å; V220-L291 HydrophobicContact CG1-CD1 4.2Å; V220-L291 HydrophobicContact CG2-CD1 3.83Å; V220-L299 HydrophobicContact CB-CD1 4.4Å; V220-L299 HydrophobicContact CG1-CD1 4.16Å |
| 221 | R | 92.1 | Very high | 78.3 | Confident | 33 Ų | 33 | 35.8 Ų | 35.8 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.3 | 176.1 | -179.8 | 173.2 | 168.5 | 87.7 | 9.9 | 109.5 | F175 F208 M219 E223 Y240 E241 | F175-R221 HydrophobicContact CZ-CB 4.49Å; F208-R221 PolarHBondContact N-O 2.91Å; F208-R221 PolarHBondContact O-N 3.13Å; M219-R221 HydrophobicContact CE-CB 4.22Å; R221-E223 HydrophobicContact CG-CG 4.49Å; R221-E223 IonicContact CZ-OE1 3.66Å; R221-E223 IonicContact CZ-OE2 3.66Å; R221-E223 VanDerWaalsContact NE-CD 3.34Å; R221-E223 IonicContact NE-OE1 3.72Å; R221-E223 PolarHBondContact NE-OE1 3.17Å; R221-E223 IonicContact NE-OE2 2.72Å; R221-E223 IonicContact NH2-OE1 2.81Å; R221-E223 PolarHBondContact NH2-OE1 2.69Å; R221-E223 IonicContact NH2-OE2 3.94Å; R221-E223 PolarHBondContact NH2-OE2 2.92Å; R221-Y240 CarbonylContact C-O 3.56Å; R221-Y240 VanDerWaalsContact CA-O 3.3Å; R221-Y240 WeakPolarHBondContact CA-O 3.32Å; R221-E241 WeakPolarHBondContact CD-OE1 3.06Å; R221-E241 HydrophobicContact CG-CG 4.26Å; R221-E241 IonicContact CZ-OE1 3.01Å; R221-E241 IonicContact NE-OE1 3.66Å; R221-E241 IonicContact NH1-OE1 3.07Å; R221-E241 PolarHBondContact NH1-OE1 2.83Å |
| 222 | V | 90.4 | Very high | 76.2 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.1 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | Y205 V207 Y240 V275 L299 | Y205-V222 HydrophobicContact CD1-CG1 3.73Å; Y205-V222 HydrophobicContact CD2-CG1 4.37Å; Y205-V222 HydrophobicContact CG-CG1 3.64Å; V207-V222 HydrophobicContact CB-CG2 4.45Å; V207-V222 HydrophobicContact CG1-CG2 3.9Å; V207-V222 HydrophobicContact CG2-CG1 4.49Å; V207-V222 HydrophobicContact CG2-CG2 4.04Å; V222-Y240 HydrophobicContact CB-CD2 4.13Å; V222-Y240 HydrophobicContact CG1-CD2 4.12Å; V222-Y240 PolarHBondContact N-O 2.72Å; V222-Y240 PolarHBondContact O-N 3.42Å; V222-V275 HydrophobicContact CG2-CG2 4.17Å; V222-L299 HydrophobicContact CG2-CD1 3.86Å; V222-L299 HydrophobicContact CG2-CD2 4.27Å |
| 223 | E | 85.1 | Confident | 73.8 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.6 | 178.7 | -58.8 | -80.3 | -155.4 | 0 | 0 | 109.1 | W173 Y205 V206 F208 R221 P239 | W173-E223 HydrophobicContact CE3-CG 4.19Å; W173-E223 HydrophobicContact CH2-CB 4.08Å; W173-E223 HydrophobicContact CH2-CG 4.38Å; W173-E223 HydrophobicContact CZ3-CB 3.86Å; W173-E223 HydrophobicContact CZ3-CG 3.65Å; Y205-E223 CarbonylContact C-O 3.52Å; Y205-E223 VanDerWaalsContact CA-O 3.22Å; Y205-E223 WeakPolarHBondContact CA-O 3.06Å; Y205-E223 VanDerWaalsContact CB-O 3.27Å; Y205-E223 WeakPolarHBondContact CB-O 3.42Å; V206-E223 HydrophobicContact CG1-CB 3.92Å; V206-E223 PolarHBondContact N-O 3.09Å; V206-E223 PolarHBondContact O-N 2.99Å; F208-E223 HydrophobicContact CD2-CG 3.94Å; F208-E223 HydrophobicContact CE2-CB 4.44Å; F208-E223 HydrophobicContact CE2-CG 3.88Å; R221-E223 HydrophobicContact CG-CG 4.49Å; R221-E223 IonicContact CZ-OE1 3.66Å; R221-E223 IonicContact CZ-OE2 3.66Å; R221-E223 VanDerWaalsContact NE-CD 3.34Å; R221-E223 IonicContact NE-OE1 3.72Å; R221-E223 PolarHBondContact NE-OE1 3.17Å; R221-E223 IonicContact NE-OE2 2.72Å; R221-E223 IonicContact NH2-OE1 2.81Å; R221-E223 PolarHBondContact NH2-OE1 2.69Å; R221-E223 IonicContact NH2-OE2 3.94Å; R221-E223 PolarHBondContact NH2-OE2 2.92Å; E223-P239 VanDerWaalsContact OE2-CB 3.29Å; E223-P239 WeakPolarHBondContact OE2-CB 3.44Å |
| 224 | Q | 74.9 | Confident | 71.8 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 143.5 | 174.3 | -175.1 | -176.2 | -21 | 0 | 0 | 110.5 | M168 Y205 N226 | M168-Q224 HydrophobicContact CE-CB 3.99Å; M168-Q224 HydrophobicContact CE-CG 3.9Å; M168-Q224 WeakPolarHBondContact CE-O 3.4Å; Y205-Q224 HydrophobicContact CD1-CB 4.42Å; Q224-N226 PolarHBondContact NE2-O 2.67Å |
| 225 | D | 63.9 | Low | 69.7 | Low | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -123.7 | -7.8 | 176.8 | -169.5 | 35 | 0 | 0 | 0 | 112.8 | Q126 K131 H204 | Q126-D225 PolarHBondContact NE2-OD2 3.35Å; K131-D225 VanDerWaalsContact CD-OD1 3.24Å; K131-D225 WeakPolarHBondContact CD-OD1 3.23Å; K131-D225 WeakPolarHBondContact CD-OD2 3.41Å; K131-D225 WeakPolarHBondContact CE-OD1 3.02Å; K131-D225 IonicContact NZ-OD1 3.92Å; K131-D225 PolarHBondContact NZ-OD1 3.08Å; H204-D225 PolarHBondContact O-N 2.85Å | ||
| 226 | N | 58 | Low | 67.8 | Low | 37 Ų | 37 | 57.8 Ų | 57.8 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | trans | -100.4 | 114.5 | -170 | -162.4 | -47.4 | 0 | 0 | 0 | 114.1 | H204 Q224 T228 | H204-N226 PolarHBondContact CE1-ND2 3.28Å; H204-N226 VanDerWaalsContact CE1-ND2 3.32Å; Q224-N226 PolarHBondContact NE2-O 2.67Å; N226-T228 VanDerWaalsContact C-N 3.33Å; N226-T228 PolarHBondContact O-N 3.4Å; N226-T228 WeakPolarHBondContact OD1-CB 3.49Å; N226-T228 PolarHBondContact OD1-N 3.46Å; N226-T228 PolarHBondContact OD1-OG1 2.9Å | ||
| 227 | I | 50.4 | Low | 66.3 | Low | 74 Ų | 74 | 56.1 Ų | 56.1 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -64.2 | -32.3 | 178.9 | -51.1 | 168 | 0 | 0 | 0 | 112.4 | D166 L229 V230 E231 | D166-I227 HydrophobicContact CB-CD1 4.43Å; D166-I227 WeakPolarHBondContact OD1-CD1 3.5Å; I227-L229 PolarHBondContact O-N 3.2Å; I227-V230 WeakPolarHBondContact O-CB 3.36Å; I227-V230 PolarHBondContact O-N 2.93Å; I227-E231 HydrophobicContact CG2-CG 4.5Å; I227-E231 PolarHBondContact O-N 2.89Å |
| 228 | T | 48.5 | Very low | 65 | Low | 54 Ų | 54 | 56.4 Ų | 56.4 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -72.4 | -1.9 | -169.2 | 74 | 0 | 0 | 0 | 0 | 114.9 | N226 K232 | N226-T228 VanDerWaalsContact C-N 3.33Å; N226-T228 PolarHBondContact O-N 3.4Å; N226-T228 WeakPolarHBondContact OD1-CB 3.49Å; N226-T228 PolarHBondContact OD1-N 3.46Å; N226-T228 PolarHBondContact OD1-OG1 2.9Å; T228-K232 WeakPolarHBondContact O-CD 3.26Å; T228-K232 WeakPolarHBondContact O-CE 3.48Å; T228-K232 WeakPolarHBondContact O-CG 3.48Å; T228-K232 PolarHBondContact O-NZ 2.83Å; T228-K232 PolarHBondContact OG1-NZ 2.92Å |
| 229 | L | 49.8 | Very low | 64.2 | Low | 22 Ų | 22 | 58.4 Ų | 58.4 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -85.8 | -34.4 | 165.6 | -70.9 | -171.1 | 0 | 0 | 0 | 112.1 | H204 I227 K232 N233 I234 D237 | H204-L229 WeakPolarHBondContact NE2-CD1 3.49Å; H204-L229 WeakPolarHBondContact NE2-CG 3.38Å; I227-L229 PolarHBondContact O-N 3.2Å; L229-K232 CarbonylContact O-C 3.5Å; L229-K232 WeakPolarHBondContact O-CA 3.41Å; L229-K232 PolarHBondContact O-N 3.34Å; L229-K232 VanDerWaalsContact O-N 3.08Å; L229-N233 PolarHBondContact O-N 2.58Å; L229-I234 HydrophobicContact CB-CB 4.14Å; L229-I234 HydrophobicContact CB-CG2 4.49Å; L229-I234 HydrophobicContact CD1-CG2 4.28Å; L229-I234 HydrophobicContact CD2-CB 4.21Å; L229-I234 HydrophobicContact CD2-CD1 3.82Å; L229-I234 HydrophobicContact CD2-CG2 4.26Å; L229-I234 PolarHBondContact O-N 3.08Å; L229-D237 HydrophobicContact CD1-CB 3.92Å |
| 230 | V | 47.9 | Very low | 63.8 | Low | 77 Ų | 77 | 58.5 Ų | 58.5 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -46.2 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I227 K232 N233 | I227-V230 WeakPolarHBondContact O-CB 3.36Å; I227-V230 PolarHBondContact O-N 2.93Å; V230-K232 PolarHBondContact O-N 2.62Å; V230-K232 VanDerWaalsContact O-N 3.13Å; V230-N233 PolarHBondContact O-N 2.92Å |
| 231 | E | 47.2 | Very low | 63.4 | Low | 145 Ų | 145 | 59.5 Ų | 59.5 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.5 | 172.9 | -61.5 | -176.1 | 133.5 | 0 | 0 | 113.7 | I227 | I227-E231 HydrophobicContact CG2-CG 4.5Å; I227-E231 PolarHBondContact O-N 2.89Å |
| 232 | K | 51.9 | Low | 63 | Low | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7 | 178.6 | -68.6 | 174.1 | -165.4 | 128.3 | 0 | 113.4 | T228 L229 V230 I234 | T228-K232 WeakPolarHBondContact O-CD 3.26Å; T228-K232 WeakPolarHBondContact O-CE 3.48Å; T228-K232 WeakPolarHBondContact O-CG 3.48Å; T228-K232 PolarHBondContact O-NZ 2.83Å; T228-K232 PolarHBondContact OG1-NZ 2.92Å; L229-K232 CarbonylContact O-C 3.5Å; L229-K232 WeakPolarHBondContact O-CA 3.41Å; L229-K232 PolarHBondContact O-N 3.34Å; L229-K232 VanDerWaalsContact O-N 3.08Å; V230-K232 PolarHBondContact O-N 2.62Å; V230-K232 VanDerWaalsContact O-N 3.13Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 4.09Å; K232-I234 HydrophobicContact CB-CG1 4.31Å; K232-I234 PolarHBondContact O-N 2.73Å |
| 233 | N | 45.3 | Very low | 62.2 | Low | 117 Ų | 117 | 61.9 Ų | 61.9 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.2 | -175.3 | -62.2 | -64.5 | 0 | 0 | 0 | 114.2 | L229 V230 F235 | L229-N233 PolarHBondContact O-N 2.58Å; V230-N233 PolarHBondContact O-N 2.92Å; N233-F235 HydrophobicContact CB-CD2 4.42Å; N233-F235 HydrophobicContact CB-CE2 3.62Å; N233-F235 HydrophobicContact CB-CZ 4Å; N233-F235 VanDerWaalsContact O-CD2 3.29Å; N233-F235 WeakPolarHBondContact O-CD2 3.45Å; N233-F235 WeakPolarHBondContact OD1-CZ 3.29Å |
| 234 | I | 51.2 | Low | 61.3 | Low | 79 Ų | 79 | 65.2 Ų | 65.2 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | trans | -98.9 | 88.4 | 176.3 | -63.1 | 169.2 | 0 | 0 | 0 | 108 | L229 K232 | L229-I234 HydrophobicContact CB-CB 4.14Å; L229-I234 HydrophobicContact CB-CG2 4.49Å; L229-I234 HydrophobicContact CD1-CG2 4.28Å; L229-I234 HydrophobicContact CD2-CB 4.21Å; L229-I234 HydrophobicContact CD2-CD1 3.82Å; L229-I234 HydrophobicContact CD2-CG2 4.26Å; L229-I234 PolarHBondContact O-N 3.08Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 4.09Å; K232-I234 HydrophobicContact CB-CG1 4.31Å; K232-I234 PolarHBondContact O-N 2.73Å | ||
| 235 | F | 47.7 | Very low | 60.3 | Low | 138 Ų | 138 | 67.3 Ų | 67.3 | 61% | 0.605 | 35% | 0.346 | S | S | * | . | trans | -92.7 | 5.8 | -169.3 | -58.7 | -71.9 | 0 | 0 | 0 | 115.6 | N233 | N233-F235 HydrophobicContact CB-CD2 4.42Å; N233-F235 HydrophobicContact CB-CE2 3.62Å; N233-F235 HydrophobicContact CB-CZ 4Å; N233-F235 VanDerWaalsContact O-CD2 3.29Å; N233-F235 WeakPolarHBondContact O-CD2 3.45Å; N233-F235 WeakPolarHBondContact OD1-CZ 3.29Å | ||
| 236 | H | 50.8 | Low | 59.7 | Low | 164 Ų | 164 | 75.7 Ų | 75.7 | 76% | 0.759 | 38% | 0.382 | S | S | * | . | trans | -129.6 | 63 | -173.1 | -67.6 | -52.5 | 0 | 0 | 0 | 111.7 | ||||
| 237 | D | 63.5 | Low | 59.2 | Low | 28 Ų | 28 | 81.6 Ų | 81.6 | 15% | 0.15 | 41% | 0.408 | C | S | . | . | trans | -130 | 30.6 | 178.5 | -147.2 | 56.6 | 0 | 0 | 0 | 115 | H204 Y205 L229 Y240 K293 | H204-D237 IonicContact CD2-OD2 3.79Å; Y205-D237 WeakPolarHBondContact CE1-O 3.44Å; Y205-D237 WeakPolarHBondContact CE1-OD2 3.26Å; Y205-D237 VanDerWaalsContact CZ-OD2 3.29Å; Y205-D237 PolarHBondContact OH-OD2 3.2Å; L229-D237 HydrophobicContact CD1-CB 3.92Å; D237-Y240 VanDerWaalsContact CA-OH 3.23Å; D237-Y240 WeakPolarHBondContact CA-OH 3.44Å; D237-Y240 VanDerWaalsContact O-CE2 3.26Å; D237-Y240 WeakPolarHBondContact O-CE2 3.23Å; D237-Y240 PolarHBondContact O-OH 3.3Å; D237-Y240 PolarHBondContact OD1-OH 2.76Å; D237-K293 IonicContact OD1-NZ 3.08Å; D237-K293 PolarHBondContact OD1-NZ 3.49Å; D237-K293 IonicContact OD2-NZ 2.69Å | ||
| 238 | G | 66.7 | Low | 58.9 | Low | 29 Ų | 29 | 83.9 Ų | 83.9 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | trans | 156.1 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y240 | G238-Y240 PolarHBondContact N-OH 3.19Š| ||
| 239 | P | 75.8 | Confident | 59.1 | Low | 42 Ų | 42 | 85.8 Ų | 85.8 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | cis | -82.3 | 155.4 | -0.1 | 35.1 | -38.3 | 0 | 0 | 0 | 113.4 | E223 E297 | E223-P239 VanDerWaalsContact OE2-CB 3.29Å; E223-P239 WeakPolarHBondContact OE2-CB 3.44Å; P239-E297 VanDerWaalsContact O-CA 3.27Å; P239-E297 WeakPolarHBondContact O-CA 3.49Å | ||
| 240 | Y | 84 | Confident | 60.1 | Low | 3 Ų | 3 | 86 Ų | 86 | 1% | 0.012 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.1 | 174.9 | -50.4 | -82.9 | 0 | 0 | 0 | 112.1 | Y205 R221 V222 D237 G238 K293 S295 A296 E297 L299 | Y205-Y240 AromaticContact CE1-CE2 3.99Å; Y205-Y240 HydrophobicContact CE1-CE2 3.99Å; R221-Y240 CarbonylContact C-O 3.56Å; R221-Y240 VanDerWaalsContact CA-O 3.3Å; R221-Y240 WeakPolarHBondContact CA-O 3.32Å; V222-Y240 HydrophobicContact CB-CD2 4.13Å; V222-Y240 HydrophobicContact CG1-CD2 4.12Å; V222-Y240 PolarHBondContact N-O 2.72Å; V222-Y240 PolarHBondContact O-N 3.42Å; D237-Y240 VanDerWaalsContact CA-OH 3.23Å; D237-Y240 WeakPolarHBondContact CA-OH 3.44Å; D237-Y240 VanDerWaalsContact O-CE2 3.26Å; D237-Y240 WeakPolarHBondContact O-CE2 3.23Å; D237-Y240 PolarHBondContact O-OH 3.3Å; D237-Y240 PolarHBondContact OD1-OH 2.76Å; G238-Y240 PolarHBondContact N-OH 3.19Å; Y240-K293 HydrophobicContact CD1-CD 4.22Å; Y240-K293 HydrophobicContact CD1-CG 4.05Å; Y240-K293 HydrophobicContact CE1-CD 3.65Å; Y240-K293 HydrophobicContact CE1-CG 3.76Å; Y240-K293 HydrophobicContact CE2-CD 3.97Å; Y240-K293 VanDerWaalsContact CZ-NZ 3.33Å; Y240-K293 WeakPolarHBondContact OH-CE 3.18Å; Y240-K293 PolarHBondContact OH-NZ 2.98Å; Y240-S295 WeakPolarHBondContact CE1-O 3.33Å; Y240-A296 VanDerWaalsContact CE1-C 3.44Å; Y240-A296 WeakPolarHBondContact CE1-O 2.97Å; Y240-E297 WeakPolarHBondContact CA-O 3.32Å; Y240-L299 HydrophobicContact CG-CD2 4.35Å |
| 241 | E | 85.7 | Confident | 61.8 | Low | 22 Ų | 22 | 82.5 Ų | 82.5 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.5 | 173.7 | -59.2 | -149.2 | 156.9 | 0 | 0 | 113 | R179 R214 R221 Q243 E297 L299 | R179-E241 IonicContact CZ-OE1 2.78Å; R179-E241 IonicContact CZ-OE2 3.14Å; R179-E241 VanDerWaalsContact NH1-CD 3.33Å; R179-E241 IonicContact NH1-OE1 2.9Å; R179-E241 PolarHBondContact NH1-OE1 3.14Å; R179-E241 IonicContact NH1-OE2 3.05Å; R179-E241 PolarHBondContact NH1-OE2 3.27Å; R179-E241 IonicContact NH2-OE1 2.69Å; R179-E241 PolarHBondContact NH2-OE1 3.36Å; R214-E241 IonicContact NH2-OE2 2.68Å; R221-E241 WeakPolarHBondContact CD-OE1 3.06Å; R221-E241 HydrophobicContact CG-CG 4.26Å; R221-E241 IonicContact CZ-OE1 3.01Å; R221-E241 IonicContact NE-OE1 3.66Å; R221-E241 IonicContact NH1-OE1 3.07Å; R221-E241 PolarHBondContact NH1-OE1 2.83Å; E241-Q243 PolarHBondContact O-N 3.34Å; E241-E297 PolarHBondContact N-O 3.16Å; E241-L299 PolarHBondContact O-N 2.82Å |
| 242 | F | 83.6 | Confident | 63.7 | Low | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 117.3 | 166.2 | 176.9 | -119.7 | 0 | 0 | 0 | 111.8 | R214 V220 V251 L257 L291 V301 | R214-F242 PolarHBondContact NH1-O 2.99Å; V220-F242 PolarHBondContact O-N 2.88Å; V220-F242 VanDerWaalsContact O-N 3.07Å; F242-V251 HydrophobicContact CZ-CG2 4.35Å; F242-L257 HydrophobicContact CD1-CD2 3.42Å; F242-L257 VanDerWaalsContact CD1-CD2 3.42Å; F242-L257 HydrophobicContact CE1-CD2 3.49Å; F242-L257 VanDerWaalsContact CE1-CD2 3.49Å; F242-L257 HydrophobicContact CG-CD2 4.07Å; F242-L257 HydrophobicContact CZ-CD2 4.2Å; F242-L291 HydrophobicContact CD2-CD2 3.68Å; F242-L291 HydrophobicContact CE2-CD2 3.99Å; F242-V301 HydrophobicContact CE2-CG2 3.89Å; F242-V301 HydrophobicContact CZ-CG2 4.47Å |
| 243 | Q | 74.8 | Confident | 65.5 | Low | 82 Ų | 82 | 74 Ų | 74 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | trans | -117.4 | 141 | 175.2 | -57.5 | -166.5 | 37.4 | 0 | 0 | 111.5 | E241 D245 Q298 L299 | E241-Q243 PolarHBondContact O-N 3.34Å; Q243-D245 VanDerWaalsContact C-N 3.34Å; Q243-D245 PolarHBondContact O-N 3.07Å; Q243-D245 VanDerWaalsContact O-N 3.16Å; Q243-Q298 HydrophobicContact CB-CG 3.98Å; Q243-Q298 HydrophobicContact CG-CG 4.04Å; Q243-L299 PolarHBondContact N-O 2.86Å | ||
| 244 | D | 66.3 | Low | 67.8 | Low | 89 Ų | 89 | 72.7 Ų | 72.7 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | trans | -92.9 | 57.6 | -167.8 | -160.9 | 42.3 | 0 | 0 | 0 | 111.9 | K217 K246 | K217-D244 IonicContact NZ-OD1 3.37Å; K217-D244 PolarHBondContact NZ-OD1 3Å; K217-D244 IonicContact NZ-OD2 3.07Å; K217-D244 PolarHBondContact NZ-OD2 2.87Å; D244-K246 PolarHBondContact O-N 3.21Å | ||
| 245 | D | 54.1 | Low | 69.9 | Low | 72 Ų | 72 | 68.9 Ų | 68.9 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | trans | -84.7 | 107.3 | -162.2 | -140.6 | -22.6 | 0 | 0 | 0 | 113.5 | Q243 H247 Q298 | Q243-D245 VanDerWaalsContact C-N 3.34Å; Q243-D245 PolarHBondContact O-N 3.07Å; Q243-D245 VanDerWaalsContact O-N 3.16Å; D245-H247 PolarHBondContact O-N 3.17Å; D245-Q298 PolarHBondContact OD2-NE2 2.61Å; D245-Q298 VanDerWaalsContact OD2-NE2 3.09Å | ||
| 246 | K | 49.5 | Very low | 72.3 | Confident | 186 Ų | 186 | 65.1 Ų | 65.1 | 81% | 0.809 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 57.9 | -9.2 | 157.5 | -67.4 | 170.5 | -164.7 | 105.7 | 0 | 120.2 | D244 | D244-K246 PolarHBondContact O-N 3.21Š|
| 247 | H | 49.1 | Very low | 74.4 | Confident | 160 Ų | 160 | 57.3 Ų | 57.3 | 74% | 0.741 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -80.4 | 144.2 | 165.1 | -80.2 | 58.2 | 0 | 0 | 0 | 110.3 | D245 S249 | D245-H247 PolarHBondContact O-N 3.17Å; H247-S249 PolarHBondContact O-N 2.92Å |
| 248 | P | 44.1 | Very low | 76 | Confident | 122 Ų | 122 | 56 Ų | 56 | 79% | 0.792 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -69.2 | 91 | -176.4 | 26.7 | -33.7 | 0 | 0 | 0 | 112.2 | ||
| 249 | S | 52.6 | Low | 77.5 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 66% | 0.657 | 31% | 0.305 | S | S | * | . | trans | 50.4 | 74.8 | 166.8 | 58.4 | 0 | 0 | 0 | 0 | 115.9 | H247 | H247-S249 PolarHBondContact O-N 2.92Š| ||
| 250 | S | 69.5 | Low | 78.6 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -66.5 | -36.4 | 171.1 | 161.6 | 0 | 0 | 0 | 0 | 113.4 | L304 | S250-L304 WeakPolarHBondContact OG-CD1 3.42Š|
| 251 | V | 83.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -133.3 | 124.7 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | K217 F242 S255 L257 L287 V289 | K217-V251 WeakPolarHBondContact CE-O 3.46Å; K217-V251 HydrophobicContact CG-CG1 4.17Å; K217-V251 PolarHBondContact NZ-O 2.84Å; F242-V251 HydrophobicContact CZ-CG2 4.35Å; V251-S255 VanDerWaalsContact CG1-CB 3.49Å; V251-S255 WeakPolarHBondContact CG1-OG 3.37Å; V251-L257 HydrophobicContact CG1-CB 4.31Å; V251-L287 HydrophobicContact CG2-CD2 4.06Å; V251-V289 HydrophobicContact CG2-CG2 3.97Å |
| 252 | S | 88.1 | Confident | 79.8 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | trans | -82.5 | 169.7 | 179.5 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | S255 | S252-S255 PolarHBondContact N-OG 2.69Å; S252-S255 WeakPolarHBondContact O-CB 3.44Å; S252-S255 PolarHBondContact O-OG 3.14Å; S252-S255 PolarHBondContact OG-OG 3.08Å; S252-S255 VanDerWaalsContact OG-OG 3.12Å | ||
| 253 | A | 90.3 | Very high | 80.4 | Confident | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 157.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111 | N215 S255 | N215-A253 HydrophobicContact CB-CB 4.29Å; A253-S255 PolarHBondContact O-N 3.18Å |
| 254 | H | 93.6 | Very high | 81.2 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 22.3 | -177.1 | -42.1 | -68.4 | 0 | 0 | 0 | 116.1 | N215 W216 R281 | N215-H254 PolarHBondContact O-N 3Å; N215-H254 PolarHBondContact O-ND1 2.85Å; W216-H254 AromaticContact CE3-CE1 3.53Å; W216-H254 AromaticContact CE3-ND1 3.35Å; W216-H254 VanDerWaalsContact CE3-ND1 3.35Å; W216-H254 AromaticContact CZ3-CE1 3.79Å; W216-H254 AromaticContact CZ3-ND1 3.96Å; W216-H254 CarbonylContact O-C 3.56Å; W216-H254 VanDerWaalsContact O-C 3.26Å; W216-H254 WeakPolarHBondContact O-CA 3.42Å; W216-H254 PolarHBondContact O-N 3.3Å; H254-R281 WeakPolarHBondContact O-CB 3.49Å |
| 255 | S | 94.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -81.3 | -24.7 | 179 | -66.3 | 0 | 0 | 0 | 0 | 114.6 | W216 V251 S252 A253 A279 R281 A282 | W216-S255 PolarHBondContact O-N 3.25Å; V251-S255 VanDerWaalsContact CG1-CB 3.49Å; V251-S255 WeakPolarHBondContact CG1-OG 3.37Å; S252-S255 PolarHBondContact N-OG 2.69Å; S252-S255 WeakPolarHBondContact O-CB 3.44Å; S252-S255 PolarHBondContact O-OG 3.14Å; S252-S255 PolarHBondContact OG-OG 3.08Å; S252-S255 VanDerWaalsContact OG-OG 3.12Å; A253-S255 PolarHBondContact O-N 3.18Å; S255-A279 CarbonylContact O-C 3.55Å; S255-A279 WeakPolarHBondContact O-CA 3.39Å; S255-R281 PolarHBondContact O-N 3.36Å; S255-R281 VanDerWaalsContact O-N 3.17Å; S255-A282 PolarHBondContact O-N 2.93Å | ||
| 256 | Y | 96.8 | Very high | 84.1 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | trans | 60.8 | 44.7 | -173.2 | -63.5 | 10.8 | 0 | 0 | 0 | 113.3 | P211 W216 G258 F259 R281 | P211-Y256 HydrophobicContact CB-CG 4.37Å; W216-Y256 HydrophobicContact CB-CD1 3.83Å; W216-Y256 HydrophobicContact CB-CE1 3.68Å; W216-Y256 AromaticContact CD1-CE1 3.85Å; W216-Y256 AromaticContact CG-CE1 3.97Å; W216-Y256 HydrophobicContact CG-CE1 3.97Å; W216-Y256 PolarHBondContact O-N 2.74Å; Y256-G258 PolarHBondContact O-N 3.01Å; Y256-F259 HydrophobicContact CD2-CD2 4.21Å; Y256-F259 WeakPolarHBondContact O-CB 3.46Å; Y256-F259 PolarHBondContact O-N 3.4Å; Y256-R281 HydrophobicContact CD1-CG 4.48Å; Y256-R281 HydrophobicContact CD2-CG 3.95Å; Y256-R281 HydrophobicContact CE2-CG 4.16Å; Y256-R281 HydrophobicContact CG-CB 4.43Å; Y256-R281 HydrophobicContact CG-CG 4.13Å; Y256-R281 PolarHBondContact OH-NH1 2.73Å | ||
| 257 | L | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 132 | 175.7 | 178.5 | 66.3 | 0 | 0 | 0 | 111.8 | P211 K217 G218 M219 V220 F242 V251 A277 A279 V289 | P211-L257 WeakPolarHBondContact CA-O 3.48Å; K217-L257 VanDerWaalsContact O-CB 3.25Å; K217-L257 WeakPolarHBondContact O-CB 3.11Å; K217-L257 PolarHBondContact O-N 3.34Å; G218-L257 CarbonylContact C-O 3.53Å; G218-L257 VanDerWaalsContact CA-O 3.29Å; G218-L257 WeakPolarHBondContact CA-O 3.37Å; M219-L257 PolarHBondContact N-O 3.2Å; V220-L257 HydrophobicContact CG2-CD1 4.43Å; V220-L257 HydrophobicContact CG2-CG 4.11Å; F242-L257 HydrophobicContact CD1-CD2 3.42Å; F242-L257 VanDerWaalsContact CD1-CD2 3.42Å; F242-L257 HydrophobicContact CE1-CD2 3.49Å; F242-L257 VanDerWaalsContact CE1-CD2 3.49Å; F242-L257 HydrophobicContact CG-CD2 4.07Å; F242-L257 HydrophobicContact CZ-CD2 4.2Å; V251-L257 HydrophobicContact CG1-CB 4.31Å; L257-A277 HydrophobicContact CD1-CB 3.8Å; L257-A279 HydrophobicContact CB-CB 4.24Å; L257-A279 HydrophobicContact CD1-CB 4.13Å; L257-V289 HydrophobicContact CD1-CB 4.02Å; L257-V289 HydrophobicContact CD1-CG2 3.77Å |
| 258 | G | 96.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 26.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G209 Y256 G278 | G209-G258 VanDerWaalsContact CA-O 3.32Å; G209-G258 WeakPolarHBondContact CA-O 3.19Å; Y256-G258 PolarHBondContact O-N 3.01Å; G258-G278 PolarHBondContact N-O 2.67Å |
| 259 | F | 98.1 | Very high | 90 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.8 | -43.5 | 170.7 | -174.5 | -85.4 | 0 | 0 | 0 | 111.2 | L195 Y256 G278 P280 Y316 | L195-F259 HydrophobicContact CD2-CD2 3.56Å; L195-F259 HydrophobicContact CD2-CE2 3.65Å; L195-F259 HydrophobicContact CD2-CG 4.26Å; L195-F259 HydrophobicContact CD2-CZ 4.41Å; Y256-F259 HydrophobicContact CD2-CD2 4.21Å; Y256-F259 WeakPolarHBondContact O-CB 3.46Å; Y256-F259 PolarHBondContact O-N 3.4Å; F259-G278 PolarHBondContact N-O 3.46Å; F259-P280 HydrophobicContact CB-CG 3.87Å; F259-P280 HydrophobicContact CD1-CG 3.88Å; F259-P280 HydrophobicContact CD2-CG 4.1Å; F259-P280 HydrophobicContact CE1-CG 4.45Å; F259-P280 HydrophobicContact CG-CG 3.68Å; F259-Y316 VanDerWaalsContact CD1-O 3.27Å; F259-Y316 WeakPolarHBondContact CD1-O 3.47Å; F259-Y316 HydrophobicContact CE1-CD1 4.27Å; F259-Y316 AromaticContact CE1-CD2 3.82Å; F259-Y316 HydrophobicContact CE1-CD2 3.82Å; F259-Y316 HydrophobicContact CE1-CE1 4.23Å; F259-Y316 AromaticContact CE1-CE2 3.79Å; F259-Y316 HydrophobicContact CE1-CE2 3.79Å; F259-Y316 HydrophobicContact CE1-CG 4.06Å; F259-Y316 WeakPolarHBondContact CE1-O 3.25Å; F259-Y316 HydrophobicContact CZ-CD2 4.13Å; F259-Y316 AromaticContact CZ-CE2 3.75Å; F259-Y316 HydrophobicContact CZ-CE2 3.75Å |
| 260 | S | 98.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -130 | 154.3 | 170.7 | 46.6 | 0 | 0 | 0 | 0 | 110 | G278 G315 Y316 | S260-G278 PolarHBondContact O-N 3.25Å; S260-G315 PolarHBondContact OG-O 2.89Å; S260-Y316 VanDerWaalsContact CB-O 3.23Å; S260-Y316 WeakPolarHBondContact CB-O 3.12Å; S260-Y316 PolarHBondContact OG-O 2.87Å |
| 261 | L | 97.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 131.5 | -172.6 | -70.4 | 172.7 | 0 | 0 | 0 | 111 | T198 V207 V220 V275 V276 A277 | T198-L261 HydrophobicContact CG2-CB 3.66Å; V207-L261 HydrophobicContact CB-CD1 4.45Å; V207-L261 HydrophobicContact CG1-CD1 3.96Å; V207-L261 HydrophobicContact CG1-CD2 4.37Å; V220-L261 HydrophobicContact CG1-CD2 4.03Å; V220-L261 HydrophobicContact CG2-CD2 4.05Å; L261-V275 HydrophobicContact CD2-CG1 4.17Å; L261-V276 WeakPolarHBondContact CA-O 3.3Å; L261-A277 HydrophobicContact CD2-CB 3.71Å |
| 262 | D | 97.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 174.1 | 158.2 | -161.9 | 13.6 | 0 | 0 | 0 | 110.6 | K201 V276 V318 V320 | K201-D262 WeakPolarHBondContact CE-OD1 3.39Å; K201-D262 IonicContact NZ-OD1 2.65Å; K201-D262 PolarHBondContact NZ-OD1 2.96Å; K201-D262 IonicContact NZ-OD2 2.77Å; K201-D262 PolarHBondContact NZ-OD2 2.91Å; D262-V276 PolarHBondContact N-O 2.94Å; D262-V276 PolarHBondContact O-N 3Å; D262-V318 HydrophobicContact CB-CG2 4.43Å; D262-V320 HydrophobicContact CB-CG2 3.99Å; D262-V320 WeakPolarHBondContact OD2-CB 3.3Å; D262-V320 PolarHBondContact OD2-N 3.27Å |
| 263 | T | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.2 | -171.1 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | T198 F199 T200 K201 V207 V275 | T198-T263 HydrophobicContact CG2-CG2 3.81Å; F199-T263 PolarHBondContact O-OG1 3.46Å; T200-T263 WeakPolarHBondContact CA-OG1 3.36Å; T200-T263 HydrophobicContact CG2-CG2 4.11Å; K201-T263 WeakPolarHBondContact CE-O 3.25Å; K201-T263 WeakPolarHBondContact CG-O 3.36Å; K201-T263 PolarHBondContact N-OG1 2.82Å; V207-T263 HydrophobicContact CG2-CG2 3.99Å; T263-V275 HydrophobicContact CG2-CG2 4.24Å |
| 264 | G | 92.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 157.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T274 | G264-T274 PolarHBondContact N-O 3.38Å; G264-T274 PolarHBondContact O-N 2.84Å |
| 265 | H | 90.8 | Very high | 91.5 | Very high | 46 Ų | 46 | 36 Ų | 36 | 21% | 0.213 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -92.6 | 169.2 | 158.7 | -50.5 | -102.1 | 0 | 0 | 0 | 107.8 | D202 I267 R271 Q329 | D202-H265 IonicContact OD2-CE1 3.56Å; D202-H265 IonicContact OD2-NE2 2.64Å; D202-H265 PolarHBondContact OD2-NE2 3.4Å; H265-I267 PolarHBondContact O-N 2.81Å; H265-R271 PolarHBondContact ND1-O 2.91Å; H265-Q329 VanDerWaalsContact O-CG 3.3Å; H265-Q329 WeakPolarHBondContact O-CG 3.29Å |
| 266 | H | 90.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 36 Ų | 36 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 55.4 | 34 | -175.5 | -51.4 | 85.1 | 0 | 0 | 0 | 113.9 | K269 S270 W328 Q329 | H266-K269 PolarHBondContact N-O 3.16Å; H266-S270 WeakPolarHBondContact CD2-CA 3.3Å; H266-S270 PolarHBondContact CD2-O 3.4Å; H266-S270 PolarHBondContact CD2-OG 3.04Å; H266-S270 PolarHBondContact CE1-O 3.38Å; H266-S270 PolarHBondContact N-O 2.84Å; H266-S270 VanDerWaalsContact N-O 3.13Å; H266-S270 PolarHBondContact ND1-O 2.93Å; H266-S270 PolarHBondContact NE2-O 2.86Å; H266-S270 PolarHBondContact NE2-OG 3.19Å; H266-W328 HydrophobicContact CB-CD2 4.1Å; H266-W328 HydrophobicContact CB-CE3 4.07Å; H266-W328 HydrophobicContact CB-CG 4.38Å; H266-W328 WeakPolarHBondContact O-CA 3.34Å; H266-Q329 PolarHBondContact O-N 2.92Å |
| 267 | I | 93 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -94.9 | -68.1 | 168.1 | -64.9 | 174.8 | 0 | 0 | 0 | 109.5 | H265 T274 V276 L290 V320 Q329 I331 N354 W359 | H265-I267 PolarHBondContact O-N 2.81Å; I267-T274 HydrophobicContact CB-CG2 4.3Å; I267-T274 HydrophobicContact CD1-CG2 4.35Å; I267-T274 HydrophobicContact CG2-CG2 4.02Å; I267-V276 HydrophobicContact CD1-CG2 3.77Å; I267-L290 HydrophobicContact CG2-CD2 3.69Å; I267-V320 HydrophobicContact CD1-CG1 3.88Å; I267-V320 HydrophobicContact CD1-CG2 4.11Å; I267-V320 HydrophobicContact CG1-CG1 4.35Å; I267-Q329 HydrophobicContact CG1-CB 3.84Å; I267-I331 HydrophobicContact CG2-CD1 4.02Å; I267-N354 PolarHBondContact O-ND2 2.79Å; I267-W359 HydrophobicContact CG2-CZ2 3.78Å; I267-W359 PolarHBondContact O-NE1 3.23Å; I267-W359 VanDerWaalsContact O-NE1 3.07Å |
| 268 | M | 89.1 | Confident | 91.8 | Very high | 28 Ų | 28 | 33.2 Ų | 33.2 | 14% | 0.138 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -92.2 | -40.7 | 178.1 | -62.4 | -56.9 | -65.6 | 0 | 0 | 112.4 | T274 L290 E302 Q303 W359 | M268-T274 HydrophobicContact CG-CG2 4.13Å; M268-L290 HydrophobicContact CG-CD2 4.26Å; M268-L290 HydrophobicContact SD-CD2 3.55Å; M268-L290 VanDerWaalsContact SD-CD2 3.55Å; M268-E302 VanDerWaalsContact CB-OE2 3.27Å; M268-E302 WeakPolarHBondContact CB-OE2 3.4Å; M268-E302 HydrophobicContact CE-CB 4.4Å; M268-E302 HydrophobicContact CE-CG 3.94Å; M268-E302 HydrophobicContact CG-CB 4.4Å; M268-E302 HydrophobicContact CG-CG 4.33Å; M268-E302 WeakPolarHBondContact CG-OE2 3.49Å; M268-Q303 HydrophobicContact CE-CB 3.71Å; M268-Q303 HydrophobicContact CE-CG 4.48Å; M268-Q303 HydrophobicContact SD-CB 3.93Å; M268-W359 HydrophobicContact CE-CG 4.44Å; M268-W359 HydrophobicContact SD-CD2 4.46Å; M268-W359 HydrophobicContact SD-CG 4.13Å; M268-W359 PolarHBondContact SD-NE1 2.92Å |
| 269 | K | 84.2 | Confident | 91.8 | Very high | 101 Ų | 101 | 33.2 Ų | 33.2 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -145.5 | 148.1 | -179.9 | -61.1 | -175.3 | 177.6 | 100.7 | 0 | 108.7 | H266 R271 N272 E302 | H266-K269 PolarHBondContact N-O 3.16Å; K269-R271 PolarHBondContact O-N 3.34Å; K269-N272 HydrophobicContact CB-CB 4.31Å; K269-N272 PolarHBondContact O-N 3.28Å; K269-E302 IonicContact NZ-OE1 3.89Å; K269-E302 PolarHBondContact NZ-OE1 3.47Å |
| 270 | S | 71.1 | Confident | 91.8 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 33% | 0.329 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -49.8 | -53.6 | -172.7 | 158.5 | 0 | 0 | 0 | 0 | 114 | H266 | H266-S270 WeakPolarHBondContact CD2-CA 3.3Å; H266-S270 PolarHBondContact CD2-O 3.4Å; H266-S270 PolarHBondContact CD2-OG 3.04Å; H266-S270 PolarHBondContact CE1-O 3.38Å; H266-S270 PolarHBondContact N-O 2.84Å; H266-S270 VanDerWaalsContact N-O 3.13Å; H266-S270 PolarHBondContact ND1-O 2.93Å; H266-S270 PolarHBondContact NE2-O 2.86Å; H266-S270 PolarHBondContact NE2-OG 3.19Å |
| 271 | R | 75.9 | Confident | 91.6 | Very high | 220 Ų | 220 | 36.8 Ų | 36.8 | 83% | 0.83 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -92.9 | -16.1 | -172.5 | -64.7 | -172.1 | 177.9 | -167.3 | -2.1 | 115.5 | H265 K269 | H265-R271 PolarHBondContact ND1-O 2.91Å; K269-R271 PolarHBondContact O-N 3.34Å |
| 272 | N | 84.6 | Confident | 91.5 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -79.8 | 134.8 | -174.8 | -70.6 | 34.8 | 0 | 0 | 0 | 110.2 | K269 T274 | K269-N272 HydrophobicContact CB-CB 4.31Å; K269-N272 PolarHBondContact O-N 3.28Å; N272-T274 PolarHBondContact O-N 2.77Å |
| 273 | L | 88.3 | Confident | 91.1 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | trans | -65.8 | 128.2 | 163.4 | 177.4 | 67.6 | 0 | 0 | 0 | 109.3 | T200 Y205 | T200-L273 HydrophobicContact CG2-CD1 3.9Å; T200-L273 HydrophobicContact CG2-CD2 3.64Å; T200-L273 HydrophobicContact CG2-CG 4.41Å; Y205-L273 HydrophobicContact CD2-CD2 3.86Å; Y205-L273 HydrophobicContact CE2-CD2 3.96Å | ||
| 274 | T | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.8 | 166.8 | -59.4 | 0 | 0 | 0 | 0 | 108.5 | G264 I267 M268 N272 L290 L291 | G264-T274 PolarHBondContact N-O 3.38Å; G264-T274 PolarHBondContact O-N 2.84Å; I267-T274 HydrophobicContact CB-CG2 4.3Å; I267-T274 HydrophobicContact CD1-CG2 4.35Å; I267-T274 HydrophobicContact CG2-CG2 4.02Å; M268-T274 HydrophobicContact CG-CG2 4.13Å; N272-T274 PolarHBondContact O-N 2.77Å; T274-L290 HydrophobicContact CG2-CB 3.89Å; T274-L290 HydrophobicContact CG2-CD2 4.36Å; T274-L290 HydrophobicContact CG2-CG 4.12Å; T274-L291 WeakPolarHBondContact CA-O 3.38Å |
| 275 | V | 95.6 | Very high | 91 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.2 | 171.9 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | V207 V220 V222 L261 T263 L291 | V207-V275 HydrophobicContact CG1-CG1 3.88Å; V207-V275 HydrophobicContact CG2-CG2 4.48Å; V220-V275 HydrophobicContact CG1-CG1 4.11Å; V222-V275 HydrophobicContact CG2-CG2 4.17Å; L261-V275 HydrophobicContact CD2-CG1 4.17Å; T263-V275 HydrophobicContact CG2-CG2 4.24Å; V275-L291 HydrophobicContact CB-CB 4.3Å; V275-L291 PolarHBondContact N-O 2.83Å; V275-L291 PolarHBondContact O-N 2.8Å |
| 276 | V | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.3 | -179.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | L261 D262 I267 V288 L290 V318 V320 I331 | L261-V276 WeakPolarHBondContact CA-O 3.3Å; D262-V276 PolarHBondContact N-O 2.94Å; D262-V276 PolarHBondContact O-N 3Å; I267-V276 HydrophobicContact CD1-CG2 3.77Å; V276-V288 HydrophobicContact CG1-CG1 3.45Å; V276-V288 VanDerWaalsContact CG1-CG1 3.45Å; V276-L290 HydrophobicContact CG2-CG 4.49Å; V276-V318 HydrophobicContact CG1-CB 4.33Å; V276-V318 HydrophobicContact CG1-CG1 4.45Å; V276-V318 HydrophobicContact CG1-CG2 4.4Å; V276-V320 HydrophobicContact CB-CG2 4.31Å; V276-V320 HydrophobicContact CG2-CG2 3.79Å; V276-I331 HydrophobicContact CG1-CD1 4.13Å; V276-I331 HydrophobicContact CG1-CG2 4.14Å; V276-I331 HydrophobicContact CG2-CD1 3.81Å; V276-I331 HydrophobicContact CG2-CG1 4.41Å |
| 277 | A | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V220 L257 L261 V288 V289 L291 | V220-A277 HydrophobicContact CG2-CB 3.76Å; L257-A277 HydrophobicContact CD1-CB 3.8Å; L261-A277 HydrophobicContact CD2-CB 3.71Å; A277-V288 WeakPolarHBondContact O-CA 3.5Å; A277-V289 PolarHBondContact N-O 3.26Å; A277-V289 PolarHBondContact O-N 3.01Å; A277-L291 HydrophobicContact CB-CD1 4.49Å |
| 278 | G | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 138.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G258 F259 S260 G315 | G258-G278 PolarHBondContact N-O 2.67Å; F259-G278 PolarHBondContact N-O 3.46Å; S260-G278 PolarHBondContact O-N 3.25Å; G278-G315 WeakPolarHBondContact CA-O 3.25Å |
| 279 | A | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 69.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S255 L257 R281 A282 L287 | S255-A279 CarbonylContact O-C 3.55Å; S255-A279 WeakPolarHBondContact O-CA 3.39Å; L257-A279 HydrophobicContact CB-CB 4.24Å; L257-A279 HydrophobicContact CD1-CB 4.13Å; A279-R281 PolarHBondContact O-N 2.82Å; A279-A282 HydrophobicContact CB-CB 4.23Å; A279-A282 VanDerWaalsContact O-CB 3.29Å; A279-A282 WeakPolarHBondContact O-CB 3.27Å; A279-A282 PolarHBondContact O-N 3.19Å; A279-A282 VanDerWaalsContact O-N 3.09Å; A279-L287 CarbonylContact C-O 3.57Å; A279-L287 WeakPolarHBondContact CA-O 3.46Å; A279-L287 HydrophobicContact CB-CB 4.24Å; A279-L287 PolarHBondContact N-O 3.4Å; A279-L287 PolarHBondContact O-N 3.49Å; A279-L287 VanDerWaalsContact O-N 3.17Å |
| 280 | P | 97.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.8 | -162.9 | 23.9 | -33.1 | 0 | 0 | 0 | 115.3 | F259 G286 S313 G315 | F259-P280 HydrophobicContact CB-CG 3.87Å; F259-P280 HydrophobicContact CD1-CG 3.88Å; F259-P280 HydrophobicContact CD2-CG 4.1Å; F259-P280 HydrophobicContact CE1-CG 4.45Å; F259-P280 HydrophobicContact CG-CG 3.68Å; P280-G286 WeakPolarHBondContact O-CA 3.35Å; P280-S313 WeakPolarHBondContact O-CA 3.41Å; P280-G315 WeakPolarHBondContact CD-O 3.28Å |
| 281 | R | 95.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 37.6 Ų | 37.6 | 45% | 0.453 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.1 | 176.6 | -68.4 | -165 | 68 | -172.9 | -4 | 114.2 | H254 S255 Y256 A279 N283 H284 | H254-R281 WeakPolarHBondContact O-CB 3.49Å; S255-R281 PolarHBondContact O-N 3.36Å; S255-R281 VanDerWaalsContact O-N 3.17Å; Y256-R281 HydrophobicContact CD1-CG 4.48Å; Y256-R281 HydrophobicContact CD2-CG 3.95Å; Y256-R281 HydrophobicContact CE2-CG 4.16Å; Y256-R281 HydrophobicContact CG-CB 4.43Å; Y256-R281 HydrophobicContact CG-CG 4.13Å; Y256-R281 PolarHBondContact OH-NH1 2.73Å; A279-R281 PolarHBondContact O-N 2.82Å; R281-N283 PolarHBondContact O-N 3.07Å; R281-H284 PolarHBondContact O-N 3.44Å; R281-H284 VanDerWaalsContact O-N 3.12Å |
| 282 | A | 94.4 | Very high | 94 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -52.5 | 132.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S255 A279 H284 K285 G286 L287 | S255-A282 PolarHBondContact O-N 2.93Å; A279-A282 HydrophobicContact CB-CB 4.23Å; A279-A282 VanDerWaalsContact O-CB 3.29Å; A279-A282 WeakPolarHBondContact O-CB 3.27Å; A279-A282 PolarHBondContact O-N 3.19Å; A279-A282 VanDerWaalsContact O-N 3.09Å; A282-H284 PolarHBondContact O-N 3.19Å; A282-K285 PolarHBondContact O-N 3.3Å; A282-G286 PolarHBondContact O-N 2.85Å; A282-L287 HydrophobicContact CB-CB 3.44Å; A282-L287 VanDerWaalsContact CB-CB 3.44Å; A282-L287 HydrophobicContact CB-CD2 4Å; A282-L287 HydrophobicContact CB-CG 4.37Å |
| 283 | N | 90.4 | Very high | 94 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 55% | 0.545 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | 49.8 | 24.6 | -179.5 | -64 | -23.9 | 0 | 0 | 0 | 115.2 | R281 K285 | R281-N283 PolarHBondContact O-N 3.07Å; N283-K285 PolarHBondContact O-N 3.31Å; N283-K285 VanDerWaalsContact O-N 3.14Å |
| 284 | H | 91.6 | Very high | 93.4 | Very high | 141 Ų | 141 | 33.5 Ų | 33.5 | 65% | 0.653 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | 58.7 | 14 | -173.4 | -50.4 | 92.1 | 0 | 0 | 0 | 115.3 | R281 A282 L310 A311 | R281-H284 PolarHBondContact O-N 3.44Å; R281-H284 VanDerWaalsContact O-N 3.12Å; A282-H284 PolarHBondContact O-N 3.19Å; H284-L310 HydrophobicContact CB-CD1 3.91Å; H284-A311 PolarHBondContact O-N 3.3Å |
| 285 | K | 93.3 | Very high | 92.2 | Very high | 86 Ų | 86 | 36 Ų | 36 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -30.6 | 177 | -59.7 | -164.2 | 179.9 | -166.5 | 0 | 113.1 | A282 N283 G307 Q308 G309 S312 F314 | A282-K285 PolarHBondContact O-N 3.3Å; N283-K285 PolarHBondContact O-N 3.31Å; N283-K285 VanDerWaalsContact O-N 3.14Å; K285-G307 WeakPolarHBondContact CD-O 2.96Å; K285-Q308 PolarHBondContact NZ-O 2.99Å; K285-Q308 VanDerWaalsContact NZ-O 3.13Å; K285-G309 WeakPolarHBondContact CA-O 3.24Å; K285-G309 WeakPolarHBondContact CB-O 3.31Å; K285-S312 PolarHBondContact O-OG 2.84Å; K285-S312 VanDerWaalsContact O-OG 3.1Å; K285-F314 PolarHBondContact O-N 2.94Å; K285-F314 VanDerWaalsContact O-N 3.15Å |
| 286 | G | 95.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | 98 | 154.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P280 A282 G307 F314 | P280-G286 WeakPolarHBondContact O-CA 3.35Å; A282-G286 PolarHBondContact O-N 2.85Å; G286-G307 PolarHBondContact O-N 2.74Å; G286-F314 CarbonylContact C-O 3.15Å; G286-F314 VanDerWaalsContact C-O 3.31Å; G286-F314 WeakPolarHBondContact CA-O 3.49Å |
| 287 | L | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.5 | -173.3 | 179.9 | 78 | 0 | 0 | 0 | 108 | V251 A279 A282 V289 L304 L305 H306 F314 | V251-L287 HydrophobicContact CG2-CD2 4.06Å; A279-L287 CarbonylContact C-O 3.57Å; A279-L287 WeakPolarHBondContact CA-O 3.46Å; A279-L287 HydrophobicContact CB-CB 4.24Å; A279-L287 PolarHBondContact N-O 3.4Å; A279-L287 PolarHBondContact O-N 3.49Å; A279-L287 VanDerWaalsContact O-N 3.17Å; A282-L287 HydrophobicContact CB-CB 3.44Å; A282-L287 VanDerWaalsContact CB-CB 3.44Å; A282-L287 HydrophobicContact CB-CD2 4Å; A282-L287 HydrophobicContact CB-CG 4.37Å; L287-V289 HydrophobicContact CD2-CG2 3.63Å; L287-V289 HydrophobicContact CG-CG2 3.97Å; L287-L304 HydrophobicContact CD1-CB 4.27Å; L287-L304 HydrophobicContact CD1-CD2 4.3Å; L287-L304 HydrophobicContact CD2-CD2 4.33Å; L287-L305 WeakPolarHBondContact CA-O 3.04Å; L287-H306 VanDerWaalsContact CD1-CE1 3.48Å; L287-H306 WeakPolarHBondContact CD1-CE1 3.36Å; L287-H306 VanDerWaalsContact CD1-ND1 3.27Å; L287-H306 WeakPolarHBondContact CD1-ND1 3.48Å; L287-F314 PolarHBondContact N-O 3.25Å; L287-F314 VanDerWaalsContact N-O 3.09Å |
| 288 | V | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.4 | 162.9 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | V276 A277 L290 L305 F314 V318 V333 | V276-V288 HydrophobicContact CG1-CG1 3.45Å; V276-V288 VanDerWaalsContact CG1-CG1 3.45Å; A277-V288 WeakPolarHBondContact O-CA 3.5Å; V288-L290 HydrophobicContact CG1-CD1 4.23Å; V288-L305 HydrophobicContact CB-CB 4.26Å; V288-L305 PolarHBondContact N-O 3.15Å; V288-L305 PolarHBondContact O-N 2.95Å; V288-F314 HydrophobicContact CB-CE1 4.12Å; V288-F314 HydrophobicContact CG2-CD1 4.22Å; V288-F314 HydrophobicContact CG2-CE1 3.78Å; V288-V318 HydrophobicContact CG1-CG1 4.22Å; V288-V318 HydrophobicContact CG2-CG1 3.7Å; V288-V333 HydrophobicContact CG2-CB 4.49Å; V288-V333 HydrophobicContact CG2-CG1 3.61Å; V288-V333 HydrophobicContact CG2-CG2 4.01Å |
| 289 | V | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.1 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | V251 L257 A277 L287 L291 V301 L304 | V251-V289 HydrophobicContact CG2-CG2 3.97Å; L257-V289 HydrophobicContact CD1-CB 4.02Å; L257-V289 HydrophobicContact CD1-CG2 3.77Å; A277-V289 PolarHBondContact N-O 3.26Å; A277-V289 PolarHBondContact O-N 3.01Å; L287-V289 HydrophobicContact CD2-CG2 3.63Å; L287-V289 HydrophobicContact CG-CG2 3.97Å; V289-L291 HydrophobicContact CG1-CD2 3.66Å; V289-L291 HydrophobicContact CG1-CG 3.99Å; V289-V301 HydrophobicContact CG1-CG1 4.14Å; V289-V301 HydrophobicContact CG1-CG2 3.86Å; V289-L304 HydrophobicContact CB-CD2 4.22Å; V289-L304 HydrophobicContact CG1-CD2 3.93Å; V289-L304 HydrophobicContact CG2-CD2 3.89Å |
| 290 | L | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.4 | 172.5 | -77.4 | 66 | 0 | 0 | 0 | 107.5 | I267 M268 T274 V276 V288 E302 Q303 L305 I331 W359 | I267-L290 HydrophobicContact CG2-CD2 3.69Å; M268-L290 HydrophobicContact CG-CD2 4.26Å; M268-L290 HydrophobicContact SD-CD2 3.55Å; M268-L290 VanDerWaalsContact SD-CD2 3.55Å; T274-L290 HydrophobicContact CG2-CB 3.89Å; T274-L290 HydrophobicContact CG2-CD2 4.36Å; T274-L290 HydrophobicContact CG2-CG 4.12Å; V276-L290 HydrophobicContact CG2-CG 4.49Å; V288-L290 HydrophobicContact CG1-CD1 4.23Å; L290-E302 PolarHBondContact O-N 3.29Å; L290-Q303 HydrophobicContact CB-CB 4.12Å; L290-Q303 HydrophobicContact CD2-CB 4.13Å; L290-Q303 HydrophobicContact CD2-CG 4.42Å; L290-Q303 PolarHBondContact N-O 3.36Å; L290-Q303 PolarHBondContact O-N 3.37Å; L290-L305 HydrophobicContact CD1-CD1 3.99Å; L290-L305 HydrophobicContact CD1-CG 4.02Å; L290-I331 HydrophobicContact CD1-CD1 3.93Å; L290-I331 HydrophobicContact CD2-CD1 3.75Å; L290-I331 HydrophobicContact CG-CD1 4Å; L290-W359 HydrophobicContact CD2-CZ2 4.37Å |
| 291 | L | 92.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.4 | -177.4 | -64.1 | 173.7 | 0 | 0 | 0 | 111 | V220 F242 T274 V275 A277 V289 L299 V300 V301 | V220-L291 HydrophobicContact CB-CD1 3.83Å; V220-L291 HydrophobicContact CG1-CD1 4.2Å; V220-L291 HydrophobicContact CG2-CD1 3.83Å; F242-L291 HydrophobicContact CD2-CD2 3.68Å; F242-L291 HydrophobicContact CE2-CD2 3.99Å; T274-L291 WeakPolarHBondContact CA-O 3.38Å; V275-L291 HydrophobicContact CB-CB 4.3Å; V275-L291 PolarHBondContact N-O 2.83Å; V275-L291 PolarHBondContact O-N 2.8Å; A277-L291 HydrophobicContact CB-CD1 4.49Å; V289-L291 HydrophobicContact CG1-CD2 3.66Å; V289-L291 HydrophobicContact CG1-CG 3.99Å; L291-L299 HydrophobicContact CD1-CD1 4.33Å; L291-V300 WeakPolarHBondContact CA-O 3.48Å; L291-V301 HydrophobicContact CD2-CG2 4.13Å |
| 292 | K | 88.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153.2 | 171 | 63.3 | 166.9 | 171.3 | 167.5 | 0 | 111.1 | E294 L299 V300 E302 | K292-E294 WeakPolarHBondContact CE-OE1 3.21Å; K292-E294 IonicContact NZ-OE1 2.7Å; K292-E294 PolarHBondContact NZ-OE1 3.26Å; K292-L299 VanDerWaalsContact O-CA 3.3Å; K292-L299 WeakPolarHBondContact O-CA 3.47Å; K292-V300 HydrophobicContact CD-CG2 4.16Å; K292-V300 HydrophobicContact CG-CG2 3.76Å; K292-V300 PolarHBondContact N-O 3.07Å; K292-V300 PolarHBondContact O-N 3.32Å; K292-E302 HydrophobicContact CB-CB 4.31Å; K292-E302 HydrophobicContact CD-CB 4.14Å; K292-E302 HydrophobicContact CD-CG 3.98Å; K292-E302 HydrophobicContact CG-CB 4.01Å; K292-E302 HydrophobicContact CG-CG 4.4Å |
| 293 | K | 84.7 | Confident | 87.3 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 126.6 | 160.5 | 170.6 | 170.2 | 165.7 | 168.5 | 0 | 108.9 | Y205 D237 Y240 | Y205-K293 PolarHBondContact OH-NZ 2.88Å; D237-K293 IonicContact OD1-NZ 3.08Å; D237-K293 PolarHBondContact OD1-NZ 3.49Å; D237-K293 IonicContact OD2-NZ 2.69Å; Y240-K293 HydrophobicContact CD1-CD 4.22Å; Y240-K293 HydrophobicContact CD1-CG 4.05Å; Y240-K293 HydrophobicContact CE1-CD 3.65Å; Y240-K293 HydrophobicContact CE1-CG 3.76Å; Y240-K293 HydrophobicContact CE2-CD 3.97Å; Y240-K293 VanDerWaalsContact CZ-NZ 3.33Å; Y240-K293 WeakPolarHBondContact OH-CE 3.18Å; Y240-K293 PolarHBondContact OH-NZ 2.98Å |
| 294 | E | 75.3 | Confident | 87.3 | Confident | 117 Ų | 117 | 44.4 Ų | 44.4 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | trans | -122.8 | -35.9 | 179.5 | 180 | 156 | -92.1 | 0 | 0 | 113.5 | K292 Q298 V300 | K292-E294 WeakPolarHBondContact CE-OE1 3.21Å; K292-E294 IonicContact NZ-OE1 2.7Å; K292-E294 PolarHBondContact NZ-OE1 3.26Å; E294-Q298 PolarHBondContact N-O 2.93Å; E294-Q298 VanDerWaalsContact N-O 3.16Å; E294-V300 HydrophobicContact CB-CG1 4.39Å; E294-V300 HydrophobicContact CB-CG2 3.8Å; E294-V300 HydrophobicContact CG-CG2 4.43Å | ||
| 295 | S | 69.4 | Low | 87.4 | Confident | 54 Ų | 54 | 38 Ų | 38 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -128.4 | -175.5 | 173.4 | 79.6 | 0 | 0 | 0 | 0 | 110.7 | Y240 E297 Q298 | Y240-S295 WeakPolarHBondContact CE1-O 3.33Å; S295-E297 PolarHBondContact O-N 3.21Å; S295-Q298 WeakPolarHBondContact OG-CB 3.29Å |
| 296 | A | 65.9 | Low | 87.4 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 47% | 0.471 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -62.8 | -21.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y240 | Y240-A296 VanDerWaalsContact CE1-C 3.44Å; Y240-A296 WeakPolarHBondContact CE1-O 2.97Å |
| 297 | E | 76.1 | Confident | 87.3 | Confident | 126 Ų | 126 | 38.9 Ų | 38.9 | 59% | 0.589 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -135.4 | 6.1 | -175.2 | -63 | 178.2 | -170.5 | 0 | 0 | 114 | P239 Y240 E241 S295 | P239-E297 VanDerWaalsContact O-CA 3.27Å; P239-E297 WeakPolarHBondContact O-CA 3.49Å; Y240-E297 WeakPolarHBondContact CA-O 3.32Å; E241-E297 PolarHBondContact N-O 3.16Å; S295-E297 PolarHBondContact O-N 3.21Å |
| 298 | Q | 84.2 | Confident | 86.9 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.3 | -166 | -163.4 | 173.8 | -1.8 | 0 | 0 | 113.8 | Q243 D245 E294 S295 V300 | Q243-Q298 HydrophobicContact CB-CG 3.98Å; Q243-Q298 HydrophobicContact CG-CG 4.04Å; D245-Q298 PolarHBondContact OD2-NE2 2.61Å; D245-Q298 VanDerWaalsContact OD2-NE2 3.09Å; E294-Q298 PolarHBondContact N-O 2.93Å; E294-Q298 VanDerWaalsContact N-O 3.16Å; S295-Q298 WeakPolarHBondContact OG-CB 3.29Å; Q298-V300 HydrophobicContact CG-CG1 3.86Å |
| 299 | L | 87.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.9 | 160.5 | -55.7 | 174.9 | 0 | 0 | 0 | 109.6 | V220 V222 Y240 E241 Q243 L291 K292 | V220-L299 HydrophobicContact CB-CD1 4.4Å; V220-L299 HydrophobicContact CG1-CD1 4.16Å; V222-L299 HydrophobicContact CG2-CD1 3.86Å; V222-L299 HydrophobicContact CG2-CD2 4.27Å; Y240-L299 HydrophobicContact CG-CD2 4.35Å; E241-L299 PolarHBondContact O-N 2.82Å; Q243-L299 PolarHBondContact N-O 2.86Å; L291-L299 HydrophobicContact CD1-CD1 4.33Å; K292-L299 VanDerWaalsContact O-CA 3.3Å; K292-L299 WeakPolarHBondContact O-CA 3.47Å |
| 300 | V | 87.6 | Confident | 86.2 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 161.1 | 173.4 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | L291 K292 E294 Q298 | L291-V300 WeakPolarHBondContact CA-O 3.48Å; K292-V300 HydrophobicContact CD-CG2 4.16Å; K292-V300 HydrophobicContact CG-CG2 3.76Å; K292-V300 PolarHBondContact N-O 3.07Å; K292-V300 PolarHBondContact O-N 3.32Å; E294-V300 HydrophobicContact CB-CG1 4.39Å; E294-V300 HydrophobicContact CB-CG2 3.8Å; E294-V300 HydrophobicContact CG-CG2 4.43Å; Q298-V300 HydrophobicContact CG-CG1 3.86Å |
| 301 | V | 89.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.9 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | F242 V289 L291 L304 | F242-V301 HydrophobicContact CE2-CG2 3.89Å; F242-V301 HydrophobicContact CZ-CG2 4.47Å; V289-V301 HydrophobicContact CG1-CG1 4.14Å; V289-V301 HydrophobicContact CG1-CG2 3.86Å; L291-V301 HydrophobicContact CD2-CG2 4.13Å; V301-L304 HydrophobicContact CG1-CD2 3.62Å; V301-L304 HydrophobicContact CG1-CG 3.85Å |
| 302 | E | 87.8 | Confident | 86.2 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -31.4 | 168.2 | -154.3 | 170.4 | -157.5 | 0 | 0 | 112.3 | M268 K269 L290 K292 | M268-E302 VanDerWaalsContact CB-OE2 3.27Å; M268-E302 WeakPolarHBondContact CB-OE2 3.4Å; M268-E302 HydrophobicContact CE-CB 4.4Å; M268-E302 HydrophobicContact CE-CG 3.94Å; M268-E302 HydrophobicContact CG-CB 4.4Å; M268-E302 HydrophobicContact CG-CG 4.33Å; M268-E302 WeakPolarHBondContact CG-OE2 3.49Å; K269-E302 IonicContact NZ-OE1 3.89Å; K269-E302 PolarHBondContact NZ-OE1 3.47Å; L290-E302 PolarHBondContact O-N 3.29Å; K292-E302 HydrophobicContact CB-CB 4.31Å; K292-E302 HydrophobicContact CD-CB 4.14Å; K292-E302 HydrophobicContact CD-CG 3.98Å; K292-E302 HydrophobicContact CG-CB 4.01Å; K292-E302 HydrophobicContact CG-CG 4.4Å |
| 303 | Q | 90.3 | Very high | 86.6 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 154.6 | 175.4 | 177.6 | 61.4 | -20.4 | 0 | 0 | 112.4 | M268 L290 L305 W359 | M268-Q303 HydrophobicContact CE-CB 3.71Å; M268-Q303 HydrophobicContact CE-CG 4.48Å; M268-Q303 HydrophobicContact SD-CB 3.93Å; L290-Q303 HydrophobicContact CB-CB 4.12Å; L290-Q303 HydrophobicContact CD2-CB 4.13Å; L290-Q303 HydrophobicContact CD2-CG 4.42Å; L290-Q303 PolarHBondContact N-O 3.36Å; L290-Q303 PolarHBondContact O-N 3.37Å; Q303-L305 HydrophobicContact CG-CD2 4.4Å; Q303-W359 HydrophobicContact CG-CB 4.16Å; Q303-W359 HydrophobicContact CG-CG 4.29Å |
| 304 | L | 91.9 | Very high | 87.2 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.9 | 177.7 | -64.7 | 178.5 | 0 | 0 | 0 | 111.8 | S250 L287 V289 V301 | S250-L304 WeakPolarHBondContact OG-CD1 3.42Å; L287-L304 HydrophobicContact CD1-CB 4.27Å; L287-L304 HydrophobicContact CD1-CD2 4.3Å; L287-L304 HydrophobicContact CD2-CD2 4.33Å; V289-L304 HydrophobicContact CB-CD2 4.22Å; V289-L304 HydrophobicContact CG1-CD2 3.93Å; V289-L304 HydrophobicContact CG2-CD2 3.89Å; V301-L304 HydrophobicContact CG1-CD2 3.62Å; V301-L304 HydrophobicContact CG1-CG 3.85Å |
| 305 | L | 93.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117 | 173.2 | -52.3 | 179.4 | 0 | 0 | 0 | 108.9 | L287 V288 L290 Q303 F314 I331 Y352 W359 | L287-L305 WeakPolarHBondContact CA-O 3.04Å; V288-L305 HydrophobicContact CB-CB 4.26Å; V288-L305 PolarHBondContact N-O 3.15Å; V288-L305 PolarHBondContact O-N 2.95Å; L290-L305 HydrophobicContact CD1-CD1 3.99Å; L290-L305 HydrophobicContact CD1-CG 4.02Å; Q303-L305 HydrophobicContact CG-CD2 4.4Å; L305-F314 HydrophobicContact CB-CE1 4.15Å; L305-F314 HydrophobicContact CB-CZ 4.17Å; L305-F314 VanDerWaalsContact O-CE1 3.27Å; L305-F314 WeakPolarHBondContact O-CE1 2.93Å; L305-I331 HydrophobicContact CD1-CD1 4.41Å; L305-I331 HydrophobicContact CD1-CG2 4.25Å; L305-Y352 HydrophobicContact CD1-CD1 4.32Å; L305-Y352 HydrophobicContact CD1-CD2 4.13Å; L305-Y352 HydrophobicContact CD1-CE1 4.37Å; L305-Y352 HydrophobicContact CD1-CE2 4.19Å; L305-Y352 HydrophobicContact CD1-CG 4.21Å; L305-Y352 HydrophobicContact CD2-CD1 4.12Å; L305-Y352 HydrophobicContact CD2-CE1 3.96Å; L305-W359 HydrophobicContact CD1-CZ3 4.27Å; L305-W359 HydrophobicContact CD2-CE3 4.05Å; L305-W359 HydrophobicContact CD2-CZ3 4.23Å |
| 306 | H | 93.1 | Very high | 89.7 | Confident | 103 Ų | 103 | 43.1 Ų | 43.1 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131 | -173.6 | -66.7 | -75.2 | 0 | 0 | 0 | 112.8 | L287 | L287-H306 VanDerWaalsContact CD1-CE1 3.48Å; L287-H306 WeakPolarHBondContact CD1-CE1 3.36Å; L287-H306 VanDerWaalsContact CD1-ND1 3.27Å; L287-H306 WeakPolarHBondContact CD1-ND1 3.48Å |
| 307 | G | 92.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | trans | -62.2 | 136.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K285 G286 F314 | K285-G307 WeakPolarHBondContact CD-O 2.96Å; G286-G307 PolarHBondContact O-N 2.74Å; G307-F314 VanDerWaalsContact CA-CB 3.5Å | ||
| 308 | Q | 87.9 | Confident | 92.3 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | trans | -80.2 | -44.3 | -178.2 | -65 | 180 | -11.6 | 0 | 0 | 112.1 | K285 Y350 | K285-Q308 PolarHBondContact NZ-O 2.99Å; K285-Q308 VanDerWaalsContact NZ-O 3.13Å; Q308-Y350 HydrophobicContact CG-CE1 4.29Å | ||
| 309 | G | 86.3 | Confident | 93 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -86.2 | 138.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K285 S312 | K285-G309 WeakPolarHBondContact CA-O 3.24Å; K285-G309 WeakPolarHBondContact CB-O 3.31Å; G309-S312 WeakPolarHBondContact O-CB 3.48Å; G309-S312 PolarHBondContact O-N 2.84Å; G309-S312 PolarHBondContact O-OG 3.01Å |
| 310 | L | 91.3 | Very high | 93.4 | Very high | 135 Ų | 135 | 35.2 Ų | 35.2 | 71% | 0.707 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 138.6 | 169 | -174.6 | 70.1 | 0 | 0 | 0 | 110.1 | H284 S312 | H284-L310 HydrophobicContact CB-CD1 3.91Å; L310-S312 PolarHBondContact O-N 2.96Å |
| 311 | A | 91.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 56% | 0.562 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 12.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H284 S313 Y337 | H284-A311 PolarHBondContact O-N 3.3Å; A311-S313 PolarHBondContact O-N 2.88Å; A311-Y337 WeakPolarHBondContact O-CB 3.3Å |
| 312 | S | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -71.5 | -13.6 | -173.2 | 65.1 | 0 | 0 | 0 | 0 | 115.4 | K285 G309 L310 F314 A335 Y337 F338 | K285-S312 PolarHBondContact O-OG 2.84Å; K285-S312 VanDerWaalsContact O-OG 3.1Å; G309-S312 WeakPolarHBondContact O-CB 3.48Å; G309-S312 PolarHBondContact O-N 2.84Å; G309-S312 PolarHBondContact O-OG 3.01Å; L310-S312 PolarHBondContact O-N 2.96Å; S312-F314 VanDerWaalsContact C-N 3.31Å; S312-F314 PolarHBondContact O-N 2.93Å; S312-A335 CarbonylContact O-C 3.53Å; S312-A335 VanDerWaalsContact O-C 3.27Å; S312-A335 WeakPolarHBondContact O-CA 3.31Å; S312-Y337 PolarHBondContact O-N 2.75Å; S312-F338 PolarHBondContact O-N 2.65Å | ||
| 313 | S | 96.6 | Very high | 94.7 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | trans | 53 | 45.3 | -173 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | P280 A311 G315 Y316 | P280-S313 WeakPolarHBondContact O-CA 3.41Å; A311-S313 PolarHBondContact O-N 2.88Å; S313-G315 PolarHBondContact O-N 2.82Å; S313-Y316 WeakPolarHBondContact O-CB 3.34Å; S313-Y316 PolarHBondContact O-N 2.85Å | ||
| 314 | F | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 127.1 | 172.9 | 176.3 | -84.6 | 0 | 0 | 0 | 111 | K285 G286 L287 V288 L305 G307 S312 V333 A335 Y350 Y352 | K285-F314 PolarHBondContact O-N 2.94Å; K285-F314 VanDerWaalsContact O-N 3.15Å; G286-F314 CarbonylContact C-O 3.15Å; G286-F314 VanDerWaalsContact C-O 3.31Å; G286-F314 WeakPolarHBondContact CA-O 3.49Å; L287-F314 PolarHBondContact N-O 3.25Å; L287-F314 VanDerWaalsContact N-O 3.09Å; V288-F314 HydrophobicContact CB-CE1 4.12Å; V288-F314 HydrophobicContact CG2-CD1 4.22Å; V288-F314 HydrophobicContact CG2-CE1 3.78Å; L305-F314 HydrophobicContact CB-CE1 4.15Å; L305-F314 HydrophobicContact CB-CZ 4.17Å; L305-F314 VanDerWaalsContact O-CE1 3.27Å; L305-F314 WeakPolarHBondContact O-CE1 2.93Å; G307-F314 VanDerWaalsContact CA-CB 3.5Å; S312-F314 VanDerWaalsContact C-N 3.31Å; S312-F314 PolarHBondContact O-N 2.93Å; F314-V333 HydrophobicContact CD1-CG1 4.02Å; F314-V333 HydrophobicContact CD2-CB 4.49Å; F314-V333 HydrophobicContact CD2-CG1 3.87Å; F314-V333 HydrophobicContact CE1-CG1 3.83Å; F314-V333 HydrophobicContact CE2-CB 3.93Å; F314-V333 HydrophobicContact CE2-CG1 3.69Å; F314-V333 HydrophobicContact CE2-CG2 4.42Å; F314-V333 HydrophobicContact CG-CG1 4.04Å; F314-V333 HydrophobicContact CZ-CB 3.96Å; F314-V333 HydrophobicContact CZ-CG1 3.66Å; F314-V333 HydrophobicContact CZ-CG2 3.99Å; F314-A335 HydrophobicContact CB-CB 4.28Å; F314-Y350 AromaticContact CD2-CD2 3.64Å; F314-Y350 HydrophobicContact CD2-CD2 3.64Å; F314-Y350 AromaticContact CD2-CE2 3.96Å; F314-Y350 HydrophobicContact CD2-CE2 3.96Å; F314-Y350 HydrophobicContact CD2-CG 4.17Å; F314-Y350 HydrophobicContact CE2-CD1 4.49Å; F314-Y350 AromaticContact CE2-CD2 3.75Å; F314-Y350 HydrophobicContact CE2-CD2 3.75Å; F314-Y350 HydrophobicContact CE2-CE2 4.4Å; F314-Y350 AromaticContact CE2-CG 3.79Å; F314-Y350 HydrophobicContact CE2-CG 3.79Å; F314-Y352 HydrophobicContact CE2-CE2 4.1Å; F314-Y352 AromaticContact CZ-CE2 3.84Å; F314-Y352 HydrophobicContact CZ-CE2 3.84Å; F314-Y352 AromaticContact CZ-CZ 3.95Å; F314-Y352 VanDerWaalsContact CZ-OH 3.29Å; F314-Y352 WeakPolarHBondContact CZ-OH 3.36Å |
| 315 | G | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 27.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S260 G278 P280 S313 D317 G334 | S260-G315 PolarHBondContact OG-O 2.89Å; G278-G315 WeakPolarHBondContact CA-O 3.25Å; P280-G315 WeakPolarHBondContact CD-O 3.28Å; S313-G315 PolarHBondContact O-N 2.82Å; G315-D317 VanDerWaalsContact C-N 3.33Å; G315-G334 PolarHBondContact N-O 2.82Å |
| 316 | Y | 98.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -63.8 | -45.8 | 164.8 | -173.4 | -85.1 | 0 | 0 | 0 | 109.4 | F259 S260 S313 G334 P336 Y337 L377 | F259-Y316 VanDerWaalsContact CD1-O 3.27Å; F259-Y316 WeakPolarHBondContact CD1-O 3.47Å; F259-Y316 HydrophobicContact CE1-CD1 4.27Å; F259-Y316 AromaticContact CE1-CD2 3.82Å; F259-Y316 HydrophobicContact CE1-CD2 3.82Å; F259-Y316 HydrophobicContact CE1-CE1 4.23Å; F259-Y316 AromaticContact CE1-CE2 3.79Å; F259-Y316 HydrophobicContact CE1-CE2 3.79Å; F259-Y316 HydrophobicContact CE1-CG 4.06Å; F259-Y316 WeakPolarHBondContact CE1-O 3.25Å; F259-Y316 HydrophobicContact CZ-CD2 4.13Å; F259-Y316 AromaticContact CZ-CE2 3.75Å; F259-Y316 HydrophobicContact CZ-CE2 3.75Å; S260-Y316 VanDerWaalsContact CB-O 3.23Å; S260-Y316 WeakPolarHBondContact CB-O 3.12Å; S260-Y316 PolarHBondContact OG-O 2.87Å; S313-Y316 WeakPolarHBondContact O-CB 3.34Å; S313-Y316 PolarHBondContact O-N 2.85Å; Y316-G334 PolarHBondContact N-O 2.02Å; Y316-P336 HydrophobicContact CD1-CG 4.05Å; Y316-P336 HydrophobicContact CD2-CG 4.04Å; Y316-P336 HydrophobicContact CG-CG 3.71Å; Y316-Y337 HydrophobicContact CE2-CE2 4.38Å; Y316-L377 HydrophobicContact CD1-CG 4.34Å; Y316-L377 WeakPolarHBondContact CD1-O 3.5Å; Y316-L377 HydrophobicContact CE1-CD1 4.26Å; Y316-L377 HydrophobicContact CE1-CD2 4.34Å; Y316-L377 HydrophobicContact CE1-CG 3.72Å |
| 317 | D | 98.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -137.3 | 155 | 174.4 | -166.7 | 24.4 | 0 | 0 | 0 | 110.9 | G315 G334 A378 V379 | G315-D317 VanDerWaalsContact C-N 3.33Å; D317-G334 PolarHBondContact O-N 3.43Å; D317-A378 VanDerWaalsContact OD2-CA 3.28Å; D317-A378 WeakPolarHBondContact OD2-CA 3.18Å; D317-V379 HydrophobicContact CB-CG2 4.14Å; D317-V379 PolarHBondContact OD2-N 2.79Å |
| 318 | V | 98.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.7 | -174.8 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | D262 V276 V288 V332 V333 | D262-V318 HydrophobicContact CB-CG2 4.43Å; V276-V318 HydrophobicContact CG1-CB 4.33Å; V276-V318 HydrophobicContact CG1-CG1 4.45Å; V276-V318 HydrophobicContact CG1-CG2 4.4Å; V288-V318 HydrophobicContact CG1-CG1 4.22Å; V288-V318 HydrophobicContact CG2-CG1 3.7Å; V318-V332 WeakPolarHBondContact CA-O 3.36Å; V318-V333 HydrophobicContact CG1-CG1 4.33Å; V318-V333 HydrophobicContact CG1-CG2 4.42Å |
| 319 | A | 98.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V332 V379 | A319-V332 HydrophobicContact CB-CB 4.36Å; A319-V332 PolarHBondContact N-O 3.49Å; A319-V332 PolarHBondContact O-N 3.09Å; A319-V379 HydrophobicContact CB-CG2 4.26Å |
| 320 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | D262 I267 V276 Q329 N381 | D262-V320 HydrophobicContact CB-CG2 3.99Å; D262-V320 WeakPolarHBondContact OD2-CB 3.3Å; D262-V320 PolarHBondContact OD2-N 3.27Å; I267-V320 HydrophobicContact CD1-CG1 3.88Å; I267-V320 HydrophobicContact CD1-CG2 4.11Å; I267-V320 HydrophobicContact CG1-CG1 4.35Å; V276-V320 HydrophobicContact CB-CG2 4.31Å; V276-V320 HydrophobicContact CG2-CG2 3.79Å; V320-Q329 HydrophobicContact CG1-CB 3.54Å; V320-Q329 HydrophobicContact CG1-CG 3.86Å; V320-N381 PolarHBondContact O-ND2 2.91Å; V320-N381 VanDerWaalsContact O-ND2 3.14Å |
| 321 | V | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 140.1 | -170.9 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | L323 D330 V332 N381 N391 I393 | V321-L323 HydrophobicContact CB-CD2 4.35Å; V321-L323 HydrophobicContact CG1-CD1 4.24Å; V321-L323 HydrophobicContact CG1-CD2 3.75Å; V321-L323 HydrophobicContact CG1-CG 3.87Å; V321-L323 HydrophobicContact CG2-CD2 3.67Å; V321-L323 HydrophobicContact CG2-CG 4.21Å; V321-D330 PolarHBondContact N-O 3.3Å; V321-D330 WeakPolarHBondContact O-CA 3.39Å; V321-D330 WeakPolarHBondContact O-CB 3.45Å; V321-D330 PolarHBondContact O-N 3.01Å; V321-V332 HydrophobicContact CG1-CG2 3.77Å; V321-N381 HydrophobicContact CB-CB 4.09Å; V321-N381 WeakPolarHBondContact CB-ND2 3.32Å; V321-N381 HydrophobicContact CG2-CB 4.37Å; V321-N391 HydrophobicContact CG2-CB 3.52Å; V321-I393 HydrophobicContact CG1-CG2 4Å |
| 322 | D | 97.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 19.8 Ų | 19.8 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | trans | -85.7 | 104.8 | 167.8 | 176.1 | -7.6 | 0 | 0 | 0 | 109.4 | N324 G325 G327 W328 N391 | D322-N324 PolarHBondContact OD1-N 2.94Å; D322-N324 VanDerWaalsContact OD1-N 3.08Å; D322-N324 PolarHBondContact OD1-OD1 2.94Å; D322-G325 WeakPolarHBondContact OD1-CA 2.96Å; D322-G325 PolarHBondContact OD1-N 2.79Å; D322-G327 VanDerWaalsContact OD2-CA 3.3Å; D322-G327 WeakPolarHBondContact OD2-CA 3.42Å; D322-G327 PolarHBondContact OD2-N 2.82Å; D322-W328 WeakPolarHBondContact CB-O 3.46Å; D322-N391 VanDerWaalsContact O-CB 3.32Å; D322-N391 WeakPolarHBondContact O-CB 3.35Å; D322-N391 PolarHBondContact O-ND2 2.96Å | ||
| 323 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -92.7 | -10.1 | -178.2 | -56.7 | 167.2 | 0 | 0 | 0 | 112.9 | V321 D330 V332 V351 I353 N391 I393 G412 S413 I417 | V321-L323 HydrophobicContact CB-CD2 4.35Å; V321-L323 HydrophobicContact CG1-CD1 4.24Å; V321-L323 HydrophobicContact CG1-CD2 3.75Å; V321-L323 HydrophobicContact CG1-CG 3.87Å; V321-L323 HydrophobicContact CG2-CD2 3.67Å; V321-L323 HydrophobicContact CG2-CG 4.21Å; L323-D330 VanDerWaalsContact CB-OD2 3.26Å; L323-D330 WeakPolarHBondContact CB-OD2 3.32Å; L323-D330 HydrophobicContact CD1-CB 4.23Å; L323-D330 HydrophobicContact CG-CB 4.45Å; L323-D330 PolarHBondContact N-OD2 3.14Å; L323-V332 HydrophobicContact CD1-CG2 4.21Å; L323-V351 HydrophobicContact CD1-CG1 3.47Å; L323-V351 VanDerWaalsContact CD1-CG1 3.47Å; L323-I353 HydrophobicContact CB-CD1 4.25Å; L323-I353 HydrophobicContact CD1-CD1 3.92Å; L323-N391 WeakPolarHBondContact CD2-O 3.37Å; L323-I393 HydrophobicContact CD2-CG2 3.92Å; L323-G412 CarbonylContact O-C 3.49Å; L323-G412 WeakPolarHBondContact O-CA 3.45Å; L323-S413 PolarHBondContact O-N 3.23Å; L323-S413 VanDerWaalsContact O-O 3.14Å; L323-I417 HydrophobicContact CD1-CB 4.37Å; L323-I417 HydrophobicContact CD1-CD1 4.41Å |
| 324 | N | 95.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 13% | 0.134 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -115.5 | -9.7 | -169.3 | 81.5 | 2.8 | 0 | 0 | 0 | 114.8 | D322 D326 F390 S413 | D322-N324 PolarHBondContact OD1-N 2.94Å; D322-N324 VanDerWaalsContact OD1-N 3.08Å; D322-N324 PolarHBondContact OD1-OD1 2.94Å; N324-D326 PolarHBondContact ND2-OD2 2.75Å; N324-D326 VanDerWaalsContact OD1-CB 3.22Å; N324-D326 WeakPolarHBondContact OD1-CB 3.44Å; N324-D326 PolarHBondContact OD1-N 3.16Å; N324-D326 PolarHBondContact OD1-OD2 3.21Å; N324-F390 VanDerWaalsContact O-CE1 3.25Å; N324-F390 WeakPolarHBondContact O-CE1 3.38Å; N324-S413 VanDerWaalsContact CA-O 3.31Å; N324-S413 WeakPolarHBondContact CA-O 3.4Å |
| 325 | G | 95.4 | Very high | 96.9 | Very high | 48 Ų | 48 | 18.6 Ų | 18.6 | 50% | 0.495 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 76.1 | 17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D322 | D322-G325 WeakPolarHBondContact OD1-CA 2.96Å; D322-G325 PolarHBondContact OD1-N 2.79Å |
| 326 | D | 94 | Very high | 96.9 | Very high | 78 Ų | 78 | 18.8 Ų | 18.8 | 42% | 0.417 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -89.7 | -6.8 | -178.3 | 86.1 | 24.9 | 0 | 0 | 0 | 114.4 | N324 W328 | N324-D326 PolarHBondContact ND2-OD2 2.75Å; N324-D326 VanDerWaalsContact OD1-CB 3.22Å; N324-D326 WeakPolarHBondContact OD1-CB 3.44Å; N324-D326 PolarHBondContact OD1-N 3.16Å; N324-D326 PolarHBondContact OD1-OD2 3.21Å; D326-W328 VanDerWaalsContact OD1-CB 3.28Å; D326-W328 WeakPolarHBondContact OD1-CB 3.41Å; D326-W328 VanDerWaalsContact OD1-CD1 3.28Å; D326-W328 PolarHBondContact OD1-N 3.37Å |
| 327 | G | 92.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 39% | 0.392 | 13% | 0.13 | S | C | . | . | S | Bend | trans | 88.9 | -4.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D322 | D322-G327 VanDerWaalsContact OD2-CA 3.3Å; D322-G327 WeakPolarHBondContact OD2-CA 3.42Å; D322-G327 PolarHBondContact OD2-N 2.82Å |
| 328 | W | 93.6 | Very high | 96.7 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 19% | 0.193 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -94.1 | 152.2 | 168.1 | -64.1 | 73.7 | 0 | 0 | 0 | 110.9 | H266 D322 D326 N354 A356 | H266-W328 HydrophobicContact CB-CD2 4.1Å; H266-W328 HydrophobicContact CB-CE3 4.07Å; H266-W328 HydrophobicContact CB-CG 4.38Å; H266-W328 WeakPolarHBondContact O-CA 3.34Å; D322-W328 WeakPolarHBondContact CB-O 3.46Å; D326-W328 VanDerWaalsContact OD1-CB 3.28Å; D326-W328 WeakPolarHBondContact OD1-CB 3.41Å; D326-W328 VanDerWaalsContact OD1-CD1 3.28Å; D326-W328 PolarHBondContact OD1-N 3.37Å; W328-N354 HydrophobicContact CB-CB 4.36Å; W328-A356 VanDerWaalsContact CD2-CA 3.47Å; W328-A356 HydrophobicContact CD2-CB 4.23Å; W328-A356 HydrophobicContact CZ2-CB 3.93Å; W328-A356 VanDerWaalsContact CZ3-C 3.49Å |
| 329 | Q | 95.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 21% | 0.21 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 127.4 | -178.7 | -59.1 | -62.6 | -64.1 | 0 | 0 | 110.2 | H265 H266 I267 V320 N354 | H265-Q329 VanDerWaalsContact O-CG 3.3Å; H265-Q329 WeakPolarHBondContact O-CG 3.29Å; H266-Q329 PolarHBondContact O-N 2.92Å; I267-Q329 HydrophobicContact CG1-CB 3.84Å; V320-Q329 HydrophobicContact CG1-CB 3.54Å; V320-Q329 HydrophobicContact CG1-CG 3.86Å; Q329-N354 WeakPolarHBondContact O-CB 3.44Å; Q329-N354 PolarHBondContact O-ND2 2.53Å |
| 330 | D | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 163.2 | 167.8 | -54 | -43.2 | 0 | 0 | 0 | 110.2 | V321 L323 Y352 I353 N354 | V321-D330 PolarHBondContact N-O 3.3Å; V321-D330 WeakPolarHBondContact O-CA 3.39Å; V321-D330 WeakPolarHBondContact O-CB 3.45Å; V321-D330 PolarHBondContact O-N 3.01Å; L323-D330 VanDerWaalsContact CB-OD2 3.26Å; L323-D330 WeakPolarHBondContact CB-OD2 3.32Å; L323-D330 HydrophobicContact CD1-CB 4.23Å; L323-D330 HydrophobicContact CG-CB 4.45Å; L323-D330 PolarHBondContact N-OD2 3.14Å; D330-Y352 WeakPolarHBondContact CB-O 3.35Å; D330-I353 HydrophobicContact CB-CD1 4.33Å; D330-I353 VanDerWaalsContact OD1-CA 3.24Å; D330-I353 WeakPolarHBondContact OD1-CA 3.38Å; D330-I353 WeakPolarHBondContact OD2-CD1 3.07Å; D330-N354 PolarHBondContact OD1-N 2.63Å |
| 331 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.7 | 175.2 | -64.3 | 178.3 | 0 | 0 | 0 | 110 | I267 V276 L290 L305 V333 Y352 W359 | I267-I331 HydrophobicContact CG2-CD1 4.02Å; V276-I331 HydrophobicContact CG1-CD1 4.13Å; V276-I331 HydrophobicContact CG1-CG2 4.14Å; V276-I331 HydrophobicContact CG2-CD1 3.81Å; V276-I331 HydrophobicContact CG2-CG1 4.41Å; L290-I331 HydrophobicContact CD1-CD1 3.93Å; L290-I331 HydrophobicContact CD2-CD1 3.75Å; L290-I331 HydrophobicContact CG-CD1 4Å; L305-I331 HydrophobicContact CD1-CD1 4.41Å; L305-I331 HydrophobicContact CD1-CG2 4.25Å; I331-V333 HydrophobicContact CG2-CG2 3.74Å; I331-Y352 PolarHBondContact N-O 2.77Å; I331-Y352 PolarHBondContact O-N 3.35Å; I331-W359 HydrophobicContact CB-CH2 4.25Å; I331-W359 HydrophobicContact CD1-CH2 3.63Å; I331-W359 HydrophobicContact CD1-CZ2 4.2Å; I331-W359 HydrophobicContact CD1-CZ3 4.27Å; I331-W359 HydrophobicContact CG1-CH2 3.85Å |
| 332 | V | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.4 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | V318 A319 V321 L323 V349 V351 V379 I393 | V318-V332 WeakPolarHBondContact CA-O 3.36Å; A319-V332 HydrophobicContact CB-CB 4.36Å; A319-V332 PolarHBondContact N-O 3.49Å; A319-V332 PolarHBondContact O-N 3.09Å; V321-V332 HydrophobicContact CG1-CG2 3.77Å; L323-V332 HydrophobicContact CD1-CG2 4.21Å; V332-V349 HydrophobicContact CG1-CG1 3.42Å; V332-V349 VanDerWaalsContact CG1-CG1 3.42Å; V332-V351 HydrophobicContact CG1-CG2 4.36Å; V332-V351 HydrophobicContact CG2-CG1 4.36Å; V332-V351 HydrophobicContact CG2-CG2 4.29Å; V332-V379 HydrophobicContact CG1-CB 3.96Å; V332-V379 HydrophobicContact CG1-CG1 4.15Å; V332-V379 HydrophobicContact CG1-CG2 4.21Å; V332-I393 HydrophobicContact CG1-CD1 3.96Å; V332-I393 HydrophobicContact CG2-CD1 4.27Å; V332-I393 HydrophobicContact CG2-CG2 4.44Å |
| 333 | V | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.8 | -174.9 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | V288 F314 V318 I331 V349 Y350 Y352 | V288-V333 HydrophobicContact CG2-CB 4.49Å; V288-V333 HydrophobicContact CG2-CG1 3.61Å; V288-V333 HydrophobicContact CG2-CG2 4.01Å; F314-V333 HydrophobicContact CD1-CG1 4.02Å; F314-V333 HydrophobicContact CD2-CB 4.49Å; F314-V333 HydrophobicContact CD2-CG1 3.87Å; F314-V333 HydrophobicContact CE1-CG1 3.83Å; F314-V333 HydrophobicContact CE2-CB 3.93Å; F314-V333 HydrophobicContact CE2-CG1 3.69Å; F314-V333 HydrophobicContact CE2-CG2 4.42Å; F314-V333 HydrophobicContact CG-CG1 4.04Å; F314-V333 HydrophobicContact CZ-CB 3.96Å; F314-V333 HydrophobicContact CZ-CG1 3.66Å; F314-V333 HydrophobicContact CZ-CG2 3.99Å; V318-V333 HydrophobicContact CG1-CG1 4.33Å; V318-V333 HydrophobicContact CG1-CG2 4.42Å; I331-V333 HydrophobicContact CG2-CG2 3.74Å; V333-V349 WeakPolarHBondContact O-CA 3.24Å; V333-Y350 PolarHBondContact N-O 2.98Å; V333-Y350 PolarHBondContact O-N 3.24Å; V333-Y352 HydrophobicContact CG2-CD2 4.25Å; V333-Y352 HydrophobicContact CG2-CE2 4.08Å |
| 334 | G | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G315 Y316 D317 G376 | G315-G334 PolarHBondContact N-O 2.82Å; Y316-G334 PolarHBondContact N-O 2.02Å; D317-G334 PolarHBondContact O-N 3.43Å; G334-G376 WeakPolarHBondContact CA-O 3.37Å |
| 335 | A | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 68.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | S312 F314 Y337 F338 A348 Y350 | S312-A335 CarbonylContact O-C 3.53Å; S312-A335 VanDerWaalsContact O-C 3.27Å; S312-A335 WeakPolarHBondContact O-CA 3.31Å; F314-A335 HydrophobicContact CB-CB 4.28Å; A335-Y337 PolarHBondContact O-N 3.36Å; A335-F338 HydrophobicContact CB-CB 4.24Å; A335-F338 WeakPolarHBondContact O-CB 3.4Å; A335-F338 PolarHBondContact O-N 3.45Å; A335-A348 PolarHBondContact N-O 3.04Å; A335-A348 PolarHBondContact O-N 3.27Å; A335-A348 VanDerWaalsContact O-N 3.12Å; A335-Y350 HydrophobicContact CB-CD2 4.17Å; A335-Y350 HydrophobicContact CB-CE2 3.89Å |
| 336 | P | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -21.6 | -167 | 25.1 | -33 | 0 | 0 | 0 | 114.3 | Y316 G347 M374 G376 L377 | Y316-P336 HydrophobicContact CD1-CG 4.05Å; Y316-P336 HydrophobicContact CD2-CG 4.04Å; Y316-P336 HydrophobicContact CG-CG 3.71Å; P336-G347 WeakPolarHBondContact O-CA 3.27Å; P336-M374 HydrophobicContact CB-CB 4.28Å; P336-G376 WeakPolarHBondContact CD-O 3.18Å; P336-L377 HydrophobicContact CB-CB 3.9Å; P336-L377 HydrophobicContact CG-CB 4.38Å |
| 337 | Y | 96.3 | Very high | 93.5 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 9.5 | 177 | -62 | -79.8 | 0 | 0 | 0 | 112.6 | A311 S312 Y316 A335 M374 | A311-Y337 WeakPolarHBondContact O-CB 3.3Å; S312-Y337 PolarHBondContact O-N 2.75Å; Y316-Y337 HydrophobicContact CE2-CE2 4.38Å; A335-Y337 PolarHBondContact O-N 3.36Å; Y337-M374 HydrophobicContact CD1-CE 4.41Å; Y337-M374 HydrophobicContact CE1-CE 3.62Å; Y337-M374 HydrophobicContact CE2-CE 4.05Å; Y337-M374 VanDerWaalsContact CZ-CE 3.41Å; Y337-M374 WeakPolarHBondContact OH-CE 3.42Å |
| 338 | F | 95.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 138.1 | 170.4 | -175.9 | -96 | 0 | 0 | 0 | 110.6 | S312 A335 M340 I345 G346 G347 A348 Y350 | S312-F338 PolarHBondContact O-N 2.65Å; A335-F338 HydrophobicContact CB-CB 4.24Å; A335-F338 WeakPolarHBondContact O-CB 3.4Å; A335-F338 PolarHBondContact O-N 3.45Å; F338-M340 HydrophobicContact CE1-CG 3.64Å; F338-M340 HydrophobicContact CE1-SD 3.77Å; F338-M340 HydrophobicContact CZ-CG 3.67Å; F338-M340 HydrophobicContact CZ-SD 3.66Å; F338-I345 HydrophobicContact CD1-CG2 4.11Å; F338-I345 HydrophobicContact CE1-CG2 4.17Å; F338-G346 CarbonylContact O-C 3.56Å; F338-G347 PolarHBondContact O-N 2.83Å; F338-A348 HydrophobicContact CB-CB 3.81Å; F338-A348 HydrophobicContact CD1-CB 3.62Å; F338-A348 HydrophobicContact CE1-CB 4.36Å; F338-A348 HydrophobicContact CG-CB 3.74Å; F338-Y350 VanDerWaalsContact CE2-OH 3.31Å; F338-Y350 WeakPolarHBondContact CE2-OH 3.44Å |
| 339 | Y | 92.7 | Very high | 93.9 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 135.2 | -177.3 | 178.7 | -111.4 | 0 | 0 | 0 | 111.6 | K341 I345 | Y339-K341 HydrophobicContact CE1-CB 3.75Å; Y339-K341 HydrophobicContact CE1-CG 4.41Å; Y339-I345 WeakPolarHBondContact CA-O 3.26Å; Y339-I345 VanDerWaalsContact CD2-O 3.29Å; Y339-I345 WeakPolarHBondContact CD2-O 3.46Å |
| 340 | M | 89.7 | Confident | 94 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 34% | 0.335 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108.3 | 169 | -70.4 | 179.4 | 59.1 | 0 | 0 | 110 | F338 D342 T343 D344 I345 R366 | F338-M340 HydrophobicContact CE1-CG 3.64Å; F338-M340 HydrophobicContact CE1-SD 3.77Å; F338-M340 HydrophobicContact CZ-CG 3.67Å; F338-M340 HydrophobicContact CZ-SD 3.66Å; M340-D342 PolarHBondContact O-N 3.4Å; M340-T343 VanDerWaalsContact CB-OG1 3.32Å; M340-T343 WeakPolarHBondContact CB-OG1 3.19Å; M340-T343 HydrophobicContact CE-CG2 4.49Å; M340-T343 PolarHBondContact O-N 3.41Å; M340-T343 PolarHBondContact O-OG1 3.01Å; M340-D344 PolarHBondContact O-N 3.05Å; M340-I345 HydrophobicContact CB-CB 4.25Å; M340-I345 PolarHBondContact N-O 2.94Å; M340-I345 VanDerWaalsContact N-O 3.08Å; M340-I345 PolarHBondContact O-N 2.84Å; M340-I345 HydrophobicContact SD-CD1 4.3Å; M340-R366 PolarHBondContact SD-NH2 2.91Å |
| 341 | K | 83.8 | Confident | 94.1 | Very high | 150 Ų | 150 | 39.1 Ų | 39.1 | 65% | 0.652 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -58.3 | -46.7 | -174.2 | -174.6 | -177.2 | 177.2 | -172.3 | 0 | 113.5 | Y339 T343 D344 | Y339-K341 HydrophobicContact CE1-CB 3.75Å; Y339-K341 HydrophobicContact CE1-CG 4.41Å; K341-T343 PolarHBondContact O-N 3.12Å; K341-D344 PolarHBondContact O-N 2.89Å |
| 342 | D | 86.5 | Confident | 94 | Very high | 157 Ų | 157 | 39.8 Ų | 39.8 | 84% | 0.84 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -78.4 | -3.2 | -169.4 | -48.6 | -50.2 | 0 | 0 | 0 | 113.2 | M340 | M340-D342 PolarHBondContact O-N 3.4Š|
| 343 | T | 84.3 | Confident | 93.9 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 48% | 0.479 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -129.1 | 6.5 | -179 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | M340 K341 I345 | M340-T343 VanDerWaalsContact CB-OG1 3.32Å; M340-T343 WeakPolarHBondContact CB-OG1 3.19Å; M340-T343 HydrophobicContact CE-CG2 4.49Å; M340-T343 PolarHBondContact O-N 3.41Å; M340-T343 PolarHBondContact O-OG1 3.01Å; K341-T343 PolarHBondContact O-N 3.12Å; T343-I345 PolarHBondContact O-N 3.27Å; T343-I345 VanDerWaalsContact OG1-CD1 3.31Å; T343-I345 WeakPolarHBondContact OG1-CD1 3.37Å; T343-I345 WeakPolarHBondContact OG1-CG1 3.47Å |
| 344 | D | 86.8 | Confident | 93.6 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 39.5 | -176.8 | -84.3 | -35.6 | 0 | 0 | 0 | 114.7 | M340 K341 K371 | M340-D344 PolarHBondContact O-N 3.05Å; K341-D344 PolarHBondContact O-N 2.89Å; D344-K371 HydrophobicContact CB-CB 4.3Å; D344-K371 HydrophobicContact CB-CD 4.47Å; D344-K371 HydrophobicContact CB-CG 4.37Å; D344-K371 WeakPolarHBondContact O-CA 3.26Å; D344-K371 WeakPolarHBondContact O-CB 3.23Å; D344-K371 PolarHBondContact O-N 3.39Å; D344-K371 VanDerWaalsContact O-N 3.09Å; D344-K371 WeakPolarHBondContact OD1-CD 3.21Å; D344-K371 WeakPolarHBondContact OD1-CE 3.35Å; D344-K371 IonicContact OD1-NZ 2.73Å; D344-K371 PolarHBondContact OD1-NZ 2.83Å; D344-K371 IonicContact OD2-NZ 2.69Å |
| 345 | I | 91.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.108 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.5 | 175.1 | -63.6 | 169 | 0 | 0 | 0 | 109.3 | F338 Y339 M340 T343 N368 | F338-I345 HydrophobicContact CD1-CG2 4.11Å; F338-I345 HydrophobicContact CE1-CG2 4.17Å; Y339-I345 WeakPolarHBondContact CA-O 3.26Å; Y339-I345 VanDerWaalsContact CD2-O 3.29Å; Y339-I345 WeakPolarHBondContact CD2-O 3.46Å; M340-I345 HydrophobicContact CB-CB 4.25Å; M340-I345 PolarHBondContact N-O 2.94Å; M340-I345 VanDerWaalsContact N-O 3.08Å; M340-I345 PolarHBondContact O-N 2.84Å; M340-I345 HydrophobicContact SD-CD1 4.3Å; T343-I345 PolarHBondContact O-N 3.27Å; T343-I345 VanDerWaalsContact OG1-CD1 3.31Å; T343-I345 WeakPolarHBondContact OG1-CD1 3.37Å; T343-I345 WeakPolarHBondContact OG1-CG1 3.47Å; I345-N368 HydrophobicContact CD1-CB 4.01Å; I345-N368 HydrophobicContact CG1-CB 4.19Å; I345-N368 HydrophobicContact CG2-CB 3.91Å |
| 346 | G | 92.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F338 G369 T370 S373 | F338-G346 CarbonylContact O-C 3.56Å; G346-G369 PolarHBondContact N-O 2.83Å; G346-G369 CarbonylContact O-C 3.29Å; G346-G369 VanDerWaalsContact O-C 3.3Å; G346-G369 VanDerWaalsContact O-CA 3.22Å; G346-G369 WeakPolarHBondContact O-CA 3.43Å; G346-T370 CarbonylContact C-O 3.58Å; G346-T370 WeakPolarHBondContact CA-O 3.01Å; G346-T370 PolarHBondContact N-O 2.92Å; G346-S373 PolarHBondContact O-OG 2.77Å |
| 347 | G | 96.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | 150.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P336 F338 G369 F375 | P336-G347 WeakPolarHBondContact O-CA 3.27Å; F338-G347 PolarHBondContact O-N 2.83Å; G347-G369 PolarHBondContact O-N 2.85Å; G347-F375 CarbonylContact C-O 3.57Å; G347-F375 WeakPolarHBondContact CA-O 3.34Å |
| 348 | A | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | A335 F338 Y350 R366 L367 F375 | A335-A348 PolarHBondContact N-O 3.04Å; A335-A348 PolarHBondContact O-N 3.27Å; A335-A348 VanDerWaalsContact O-N 3.12Å; F338-A348 HydrophobicContact CB-CB 3.81Å; F338-A348 HydrophobicContact CD1-CB 3.62Å; F338-A348 HydrophobicContact CE1-CB 4.36Å; F338-A348 HydrophobicContact CG-CB 3.74Å; A348-Y350 HydrophobicContact CB-CE2 4Å; A348-R366 HydrophobicContact CB-CG 4.27Å; A348-L367 WeakPolarHBondContact CA-O 3.34Å; A348-F375 PolarHBondContact N-O 3.36Å; A348-F375 VanDerWaalsContact N-O 3.09Å |
| 349 | V | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.4 | 166.1 | 173 | 0 | 0 | 0 | 0 | 108.6 | V332 V333 V351 R366 L367 F375 G376 V379 V395 | V332-V349 HydrophobicContact CG1-CG1 3.42Å; V332-V349 VanDerWaalsContact CG1-CG1 3.42Å; V333-V349 WeakPolarHBondContact O-CA 3.24Å; V349-V351 HydrophobicContact CG1-CG2 4.21Å; V349-R366 CarbonylContact O-C 3.45Å; V349-R366 WeakPolarHBondContact O-CA 2.94Å; V349-L367 HydrophobicContact CB-CB 4.31Å; V349-L367 PolarHBondContact N-O 2.83Å; V349-L367 PolarHBondContact O-N 2.94Å; V349-F375 HydrophobicContact CB-CE1 3.95Å; V349-F375 HydrophobicContact CG2-CD1 4.09Å; V349-F375 HydrophobicContact CG2-CE1 3.69Å; V349-F375 HydrophobicContact CG2-CZ 4.41Å; V349-G376 VanDerWaalsContact CG2-CA 3.4Å; V349-V379 HydrophobicContact CG1-CG1 4.08Å; V349-V379 HydrophobicContact CG2-CG1 3.56Å; V349-V395 HydrophobicContact CG2-CG1 3.59Å; V349-V395 HydrophobicContact CG2-CG2 4.19Å |
| 350 | Y | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.2 | 178.4 | -68.3 | -94.7 | 0 | 0 | 0 | 109.1 | Q308 F314 V333 A335 F338 A348 L364 R366 | Q308-Y350 HydrophobicContact CG-CE1 4.29Å; F314-Y350 AromaticContact CD2-CD2 3.64Å; F314-Y350 HydrophobicContact CD2-CD2 3.64Å; F314-Y350 AromaticContact CD2-CE2 3.96Å; F314-Y350 HydrophobicContact CD2-CE2 3.96Å; F314-Y350 HydrophobicContact CD2-CG 4.17Å; F314-Y350 HydrophobicContact CE2-CD1 4.49Å; F314-Y350 AromaticContact CE2-CD2 3.75Å; F314-Y350 HydrophobicContact CE2-CD2 3.75Å; F314-Y350 HydrophobicContact CE2-CE2 4.4Å; F314-Y350 AromaticContact CE2-CG 3.79Å; F314-Y350 HydrophobicContact CE2-CG 3.79Å; V333-Y350 PolarHBondContact N-O 2.98Å; V333-Y350 PolarHBondContact O-N 3.24Å; A335-Y350 HydrophobicContact CB-CD2 4.17Å; A335-Y350 HydrophobicContact CB-CE2 3.89Å; F338-Y350 VanDerWaalsContact CE2-OH 3.31Å; F338-Y350 WeakPolarHBondContact CE2-OH 3.44Å; A348-Y350 HydrophobicContact CB-CE2 4Å; Y350-L364 HydrophobicContact CD1-CD1 4.05Å; Y350-L364 HydrophobicContact CD1-CD2 4.42Å; Y350-R366 HydrophobicContact CD1-CB 4.29Å; Y350-R366 HydrophobicContact CD1-CG 3.87Å; Y350-R366 HydrophobicContact CE1-CB 4.36Å; Y350-R366 VanDerWaalsContact CE1-CD 3.43Å; Y350-R366 HydrophobicContact CE1-CG 3.71Å; Y350-R366 HydrophobicContact CE2-CG 4.44Å; Y350-R366 HydrophobicContact CG-CG 4.33Å |
| 351 | V | 98.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.1 | 180 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | L323 V332 V349 I353 I365 L367 I417 | L323-V351 HydrophobicContact CD1-CG1 3.47Å; L323-V351 VanDerWaalsContact CD1-CG1 3.47Å; V332-V351 HydrophobicContact CG1-CG2 4.36Å; V332-V351 HydrophobicContact CG2-CG1 4.36Å; V332-V351 HydrophobicContact CG2-CG2 4.29Å; V349-V351 HydrophobicContact CG1-CG2 4.21Å; V351-I353 HydrophobicContact CG1-CD1 3.61Å; V351-I353 HydrophobicContact CG1-CG1 4.29Å; V351-I365 HydrophobicContact CB-CB 4.35Å; V351-I365 PolarHBondContact N-O 3.16Å; V351-I365 PolarHBondContact O-N 3.2Å; V351-L367 HydrophobicContact CG2-CD1 4.5Å; V351-I417 HydrophobicContact CB-CG2 4.36Å; V351-I417 HydrophobicContact CG1-CG2 4.23Å; V351-I417 HydrophobicContact CG2-CD1 4.2Å; V351-I417 HydrophobicContact CG2-CG2 4.32Å |
| 352 | Y | 96.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 93.4 | -179.5 | -69.4 | -98.1 | 0 | 0 | 0 | 108.7 | L305 F314 D330 I331 V333 N354 W359 V362 L364 | L305-Y352 HydrophobicContact CD1-CD1 4.32Å; L305-Y352 HydrophobicContact CD1-CD2 4.13Å; L305-Y352 HydrophobicContact CD1-CE1 4.37Å; L305-Y352 HydrophobicContact CD1-CE2 4.19Å; L305-Y352 HydrophobicContact CD1-CG 4.21Å; L305-Y352 HydrophobicContact CD2-CD1 4.12Å; L305-Y352 HydrophobicContact CD2-CE1 3.96Å; F314-Y352 HydrophobicContact CE2-CE2 4.1Å; F314-Y352 AromaticContact CZ-CE2 3.84Å; F314-Y352 HydrophobicContact CZ-CE2 3.84Å; F314-Y352 AromaticContact CZ-CZ 3.95Å; F314-Y352 VanDerWaalsContact CZ-OH 3.29Å; F314-Y352 WeakPolarHBondContact CZ-OH 3.36Å; D330-Y352 WeakPolarHBondContact CB-O 3.35Å; I331-Y352 PolarHBondContact N-O 2.77Å; I331-Y352 PolarHBondContact O-N 3.35Å; V333-Y352 HydrophobicContact CG2-CD2 4.25Å; V333-Y352 HydrophobicContact CG2-CE2 4.08Å; Y352-N354 PolarHBondContact O-N 2.96Å; Y352-W359 HydrophobicContact CG-CZ3 4.43Å; Y352-V362 HydrophobicContact CD1-CG1 3.91Å; Y352-V362 HydrophobicContact CD1-CG2 4.26Å; Y352-L364 HydrophobicContact CD1-CD1 3.88Å; Y352-L364 HydrophobicContact CD2-CD1 3.97Å; Y352-L364 HydrophobicContact CE1-CD1 3.64Å; Y352-L364 HydrophobicContact CE1-CD2 4.27Å; Y352-L364 HydrophobicContact CE1-CG 4.42Å; Y352-L364 HydrophobicContact CE2-CD1 3.73Å; Y352-L364 HydrophobicContact CG-CD1 4.03Å |
| 353 | I | 96 | Very high | 90.7 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 116.8 | 177.8 | -51.5 | -63.9 | 0 | 0 | 0 | 109 | L323 D330 V351 V362 T363 I365 | L323-I353 HydrophobicContact CB-CD1 4.25Å; L323-I353 HydrophobicContact CD1-CD1 3.92Å; D330-I353 HydrophobicContact CB-CD1 4.33Å; D330-I353 VanDerWaalsContact OD1-CA 3.24Å; D330-I353 WeakPolarHBondContact OD1-CA 3.38Å; D330-I353 WeakPolarHBondContact OD2-CD1 3.07Å; V351-I353 HydrophobicContact CG1-CD1 3.61Å; V351-I353 HydrophobicContact CG1-CG1 4.29Å; I353-V362 WeakPolarHBondContact O-CG2 3.36Å; I353-T363 PolarHBondContact N-O 3.38Å; I353-T363 PolarHBondContact O-N 2.8Å; I353-T363 VanDerWaalsContact O-N 3.14Å; I353-I365 HydrophobicContact CG1-CD1 3.99Å |
| 354 | N | 92.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | trans | -66.7 | 161 | -175.4 | -160.6 | -20.3 | 0 | 0 | 0 | 110.9 | I267 W328 Q329 D330 Y352 G357 W359 | I267-N354 PolarHBondContact O-ND2 2.79Å; W328-N354 HydrophobicContact CB-CB 4.36Å; Q329-N354 WeakPolarHBondContact O-CB 3.44Å; Q329-N354 PolarHBondContact O-ND2 2.53Å; D330-N354 PolarHBondContact OD1-N 2.63Å; Y352-N354 PolarHBondContact O-N 2.96Å; N354-G357 WeakPolarHBondContact OD1-CA 3.23Å; N354-G357 PolarHBondContact OD1-N 3.07Å; N354-W359 HydrophobicContact CB-CZ2 4.43Å | ||
| 355 | K | 90.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -139.1 | 64.6 | 179 | -68.6 | -176.3 | -176.3 | 164.4 | 0 | 109.4 | G357 Q358 N361 T363 | K355-G357 VanDerWaalsContact C-N 3.25Å; K355-G357 PolarHBondContact O-N 3.46Å; K355-Q358 HydrophobicContact CB-CB 4.24Å; K355-Q358 VanDerWaalsContact O-CB 3.27Å; K355-Q358 WeakPolarHBondContact O-CB 3.49Å; K355-Q358 WeakPolarHBondContact O-CG 3.31Å; K355-Q358 PolarHBondContact O-N 2.55Å; K355-N361 WeakPolarHBondContact CD-O 3.44Å; K355-N361 WeakPolarHBondContact CE-O 3.46Å; K355-N361 PolarHBondContact NZ-O 3.14Å; K355-T363 WeakPolarHBondContact CE-OG1 3.48Å; K355-T363 PolarHBondContact NZ-OG1 3.14Å |
| 356 | A | 89.1 | Confident | 91.9 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 41% | 0.405 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W328 | W328-A356 VanDerWaalsContact CD2-CA 3.47Å; W328-A356 HydrophobicContact CD2-CB 4.23Å; W328-A356 HydrophobicContact CZ2-CB 3.93Å; W328-A356 VanDerWaalsContact CZ3-C 3.49Å |
| 357 | G | 86.7 | Confident | 92.1 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N354 K355 W359 | N354-G357 WeakPolarHBondContact OD1-CA 3.23Å; N354-G357 PolarHBondContact OD1-N 3.07Å; K355-G357 VanDerWaalsContact C-N 3.25Å; K355-G357 PolarHBondContact O-N 3.46Å; G357-W359 PolarHBondContact O-N 2.91Å |
| 358 | Q | 87.6 | Confident | 92.1 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | trans | -88.4 | 76.6 | 179.9 | -60.7 | -179.7 | 24.8 | 0 | 0 | 112.4 | K355 D360 N361 | K355-Q358 HydrophobicContact CB-CB 4.24Å; K355-Q358 VanDerWaalsContact O-CB 3.27Å; K355-Q358 WeakPolarHBondContact O-CB 3.49Å; K355-Q358 WeakPolarHBondContact O-CG 3.31Å; K355-Q358 PolarHBondContact O-N 2.55Å; Q358-D360 VanDerWaalsContact C-N 3.33Å; Q358-D360 PolarHBondContact O-N 3.02Å; Q358-N361 PolarHBondContact O-N 2.85Å | ||
| 359 | W | 86.1 | Confident | 92 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70 | -21 | -172.6 | -71.1 | 86.5 | 0 | 0 | 0 | 115.3 | I267 M268 L290 Q303 L305 I331 Y352 N354 G357 N361 V362 | I267-W359 HydrophobicContact CG2-CZ2 3.78Å; I267-W359 PolarHBondContact O-NE1 3.23Å; I267-W359 VanDerWaalsContact O-NE1 3.07Å; M268-W359 HydrophobicContact CE-CG 4.44Å; M268-W359 HydrophobicContact SD-CD2 4.46Å; M268-W359 HydrophobicContact SD-CG 4.13Å; M268-W359 PolarHBondContact SD-NE1 2.92Å; L290-W359 HydrophobicContact CD2-CZ2 4.37Å; Q303-W359 HydrophobicContact CG-CB 4.16Å; Q303-W359 HydrophobicContact CG-CG 4.29Å; L305-W359 HydrophobicContact CD1-CZ3 4.27Å; L305-W359 HydrophobicContact CD2-CE3 4.05Å; L305-W359 HydrophobicContact CD2-CZ3 4.23Å; I331-W359 HydrophobicContact CB-CH2 4.25Å; I331-W359 HydrophobicContact CD1-CH2 3.63Å; I331-W359 HydrophobicContact CD1-CZ2 4.2Å; I331-W359 HydrophobicContact CD1-CZ3 4.27Å; I331-W359 HydrophobicContact CG1-CH2 3.85Å; Y352-W359 HydrophobicContact CG-CZ3 4.43Å; N354-W359 HydrophobicContact CB-CZ2 4.43Å; G357-W359 PolarHBondContact O-N 2.91Å; W359-N361 PolarHBondContact O-N 3.03Å; W359-V362 HydrophobicContact CE3-CB 4.3Å; W359-V362 HydrophobicContact CE3-CG2 3.93Å; W359-V362 HydrophobicContact CZ3-CG2 3.94Å; W359-V362 WeakPolarHBondContact O-CB 3.47Å; W359-V362 WeakPolarHBondContact O-CG1 3.11Å; W359-V362 PolarHBondContact O-N 2.94Å |
| 360 | D | 81.3 | Confident | 91.8 | Very high | 151 Ų | 151 | 46.9 Ų | 46.9 | 81% | 0.807 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -62.8 | -27.3 | 177 | -61.4 | -49.3 | 0 | 0 | 0 | 113.6 | Q358 | Q358-D360 VanDerWaalsContact C-N 3.33Å; Q358-D360 PolarHBondContact O-N 3.02Å |
| 361 | N | 78.8 | Confident | 91.5 | Very high | 116 Ų | 116 | 51.6 Ų | 51.6 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -119 | 20.8 | -178.5 | -76.2 | -58.3 | 0 | 0 | 0 | 112.5 | K355 Q358 W359 | K355-N361 WeakPolarHBondContact CD-O 3.44Å; K355-N361 WeakPolarHBondContact CE-O 3.46Å; K355-N361 PolarHBondContact NZ-O 3.14Å; Q358-N361 PolarHBondContact O-N 2.85Å; W359-N361 PolarHBondContact O-N 3.03Å |
| 362 | V | 87.8 | Confident | 91.1 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | trans | -53.5 | 139 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | Y352 I353 W359 L364 | Y352-V362 HydrophobicContact CD1-CG1 3.91Å; Y352-V362 HydrophobicContact CD1-CG2 4.26Å; I353-V362 WeakPolarHBondContact O-CG2 3.36Å; W359-V362 HydrophobicContact CE3-CB 4.3Å; W359-V362 HydrophobicContact CE3-CG2 3.93Å; W359-V362 HydrophobicContact CZ3-CG2 3.94Å; W359-V362 WeakPolarHBondContact O-CB 3.47Å; W359-V362 WeakPolarHBondContact O-CG1 3.11Å; W359-V362 PolarHBondContact O-N 2.94Å; V362-L364 PolarHBondContact O-N 3.44Å | ||
| 363 | T | 89 | Confident | 91 | Very high | 58 Ų | 58 | 56 Ų | 56 | 36% | 0.356 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 106.3 | 177.9 | -62 | 0 | 0 | 0 | 0 | 109.3 | I353 K355 I365 | I353-T363 PolarHBondContact N-O 3.38Å; I353-T363 PolarHBondContact O-N 2.8Å; I353-T363 VanDerWaalsContact O-N 3.14Å; K355-T363 WeakPolarHBondContact CE-OG1 3.48Å; K355-T363 PolarHBondContact NZ-OG1 3.14Å; T363-I365 HydrophobicContact CG2-CG1 4.22Å |
| 364 | L | 94.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 57 Ų | 57 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.4 | 177.4 | -177.5 | 56.1 | 0 | 0 | 0 | 111.8 | Y350 Y352 V362 | Y350-L364 HydrophobicContact CD1-CD1 4.05Å; Y350-L364 HydrophobicContact CD1-CD2 4.42Å; Y352-L364 HydrophobicContact CD1-CD1 3.88Å; Y352-L364 HydrophobicContact CD2-CD1 3.97Å; Y352-L364 HydrophobicContact CE1-CD1 3.64Å; Y352-L364 HydrophobicContact CE1-CD2 4.27Å; Y352-L364 HydrophobicContact CE1-CG 4.42Å; Y352-L364 HydrophobicContact CE2-CD1 3.73Å; Y352-L364 HydrophobicContact CG-CD1 4.03Å; V362-L364 PolarHBondContact O-N 3.44Å |
| 365 | I | 96.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139 | 174 | -58.8 | 172.4 | 0 | 0 | 0 | 108.2 | V351 I353 T363 I417 T419 | V351-I365 HydrophobicContact CB-CB 4.35Å; V351-I365 PolarHBondContact N-O 3.16Å; V351-I365 PolarHBondContact O-N 3.2Å; I353-I365 HydrophobicContact CG1-CD1 3.99Å; T363-I365 HydrophobicContact CG2-CG1 4.22Å; I365-I417 HydrophobicContact CB-CG2 4.38Å; I365-I417 HydrophobicContact CD1-CG2 3.91Å; I365-I417 HydrophobicContact CG2-CG2 3.92Å; I365-T419 HydrophobicContact CG2-CG2 3.73Å |
| 366 | R | 95.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.9 | 177.1 | -163 | -175.3 | 81 | -162.5 | 10.3 | 111.2 | M340 A348 V349 Y350 N368 | M340-R366 PolarHBondContact SD-NH2 2.91Å; A348-R366 HydrophobicContact CB-CG 4.27Å; V349-R366 CarbonylContact O-C 3.45Å; V349-R366 WeakPolarHBondContact O-CA 2.94Å; Y350-R366 HydrophobicContact CD1-CB 4.29Å; Y350-R366 HydrophobicContact CD1-CG 3.87Å; Y350-R366 HydrophobicContact CE1-CB 4.36Å; Y350-R366 VanDerWaalsContact CE1-CD 3.43Å; Y350-R366 HydrophobicContact CE1-CG 3.71Å; Y350-R366 HydrophobicContact CE2-CG 4.44Å; Y350-R366 HydrophobicContact CG-CG 4.33Å; R366-N368 VanDerWaalsContact CZ-OD1 3.23Å; R366-N368 PolarHBondContact NE-OD1 2.98Å; R366-N368 PolarHBondContact NH2-OD1 2.91Å |
| 367 | L | 97.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.7 | 168.5 | -52.2 | 178.7 | 0 | 0 | 0 | 108.4 | A348 V349 V351 F375 Y410 I417 T419 | A348-L367 WeakPolarHBondContact CA-O 3.34Å; V349-L367 HydrophobicContact CB-CB 4.31Å; V349-L367 PolarHBondContact N-O 2.83Å; V349-L367 PolarHBondContact O-N 2.94Å; V351-L367 HydrophobicContact CG2-CD1 4.5Å; L367-F375 HydrophobicContact CB-CE1 3.82Å; L367-F375 HydrophobicContact CB-CZ 3.89Å; L367-Y410 HydrophobicContact CD1-CD1 4.03Å; L367-Y410 HydrophobicContact CD1-CD2 3.88Å; L367-Y410 HydrophobicContact CD1-CE1 4.03Å; L367-Y410 HydrophobicContact CD1-CE2 3.88Å; L367-Y410 HydrophobicContact CD1-CG 3.94Å; L367-Y410 HydrophobicContact CD2-CD1 4.3Å; L367-Y410 HydrophobicContact CD2-CE1 4.07Å; L367-I417 HydrophobicContact CD1-CD1 4.07Å; L367-T419 HydrophobicContact CD2-CG2 4.17Å |
| 368 | N | 95.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.5 | -174.7 | -55.6 | -67.8 | 0 | 0 | 0 | 110 | I345 R366 | I345-N368 HydrophobicContact CD1-CB 4.01Å; I345-N368 HydrophobicContact CG1-CB 4.19Å; I345-N368 HydrophobicContact CG2-CB 3.91Å; R366-N368 VanDerWaalsContact CZ-OD1 3.23Å; R366-N368 PolarHBondContact NE-OD1 2.98Å; R366-N368 PolarHBondContact NH2-OD1 2.91Å |
| 369 | G | 95.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 167 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | G346 G347 F375 | G346-G369 PolarHBondContact N-O 2.83Å; G346-G369 CarbonylContact O-C 3.29Å; G346-G369 VanDerWaalsContact O-C 3.3Å; G346-G369 VanDerWaalsContact O-CA 3.22Å; G346-G369 WeakPolarHBondContact O-CA 3.43Å; G347-G369 PolarHBondContact O-N 2.85Å; G369-F375 VanDerWaalsContact CA-CB 3.43Å |
| 370 | T | 93.5 | Very high | 93.8 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 156.5 | 165.7 | 38.3 | 0 | 0 | 0 | 0 | 111 | G346 D372 S373 D400 | G346-T370 CarbonylContact C-O 3.58Å; G346-T370 WeakPolarHBondContact CA-O 3.01Å; G346-T370 PolarHBondContact N-O 2.92Å; T370-D372 PolarHBondContact O-N 2.9Å; T370-S373 WeakPolarHBondContact O-CB 2.97Å; T370-S373 PolarHBondContact O-N 2.98Å; T370-S373 PolarHBondContact O-OG 2.91Å; T370-S373 VanDerWaalsContact OG1-CB 3.26Å; T370-S373 WeakPolarHBondContact OG1-CB 3.47Å; T370-D400 VanDerWaalsContact OG1-CG 3.26Å; T370-D400 PolarHBondContact OG1-OD1 2.85Å |
| 371 | K | 92 | Very high | 94.5 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | 133.2 | 176.6 | -162.8 | -165.7 | -177.7 | 123.5 | 0 | 112.2 | D344 S373 | D344-K371 HydrophobicContact CB-CB 4.3Å; D344-K371 HydrophobicContact CB-CD 4.47Å; D344-K371 HydrophobicContact CB-CG 4.37Å; D344-K371 WeakPolarHBondContact O-CA 3.26Å; D344-K371 WeakPolarHBondContact O-CB 3.23Å; D344-K371 PolarHBondContact O-N 3.39Å; D344-K371 VanDerWaalsContact O-N 3.09Å; D344-K371 WeakPolarHBondContact OD1-CD 3.21Å; D344-K371 WeakPolarHBondContact OD1-CE 3.35Å; D344-K371 IonicContact OD1-NZ 2.73Å; D344-K371 PolarHBondContact OD1-NZ 2.83Å; D344-K371 IonicContact OD2-NZ 2.69Å; K371-S373 PolarHBondContact O-N 2.84Å |
| 372 | D | 89.8 | Confident | 95.4 | Very high | 106 Ų | 106 | 34.8 Ų | 34.8 | 57% | 0.567 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 8.1 | 175.7 | -50.9 | -37 | 0 | 0 | 0 | 116.1 | T370 M374 Q399 | T370-D372 PolarHBondContact O-N 2.9Å; D372-M374 PolarHBondContact O-N 2.8Å; D372-Q399 WeakPolarHBondContact O-CB 3.28Å |
| 373 | S | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -72.5 | -15.4 | -168.5 | 66.3 | 0 | 0 | 0 | 0 | 117.2 | G346 T370 K371 F375 A397 Q399 D400 | G346-S373 PolarHBondContact O-OG 2.77Å; T370-S373 WeakPolarHBondContact O-CB 2.97Å; T370-S373 PolarHBondContact O-N 2.98Å; T370-S373 PolarHBondContact O-OG 2.91Å; T370-S373 VanDerWaalsContact OG1-CB 3.26Å; T370-S373 WeakPolarHBondContact OG1-CB 3.47Å; K371-S373 PolarHBondContact O-N 2.84Å; S373-F375 PolarHBondContact O-N 2.8Å; S373-F375 WeakPolarHBondContact OG-CB 3.16Å; S373-F375 PolarHBondContact OG-N 3.31Å; S373-A397 CarbonylContact O-C 3.57Å; S373-A397 WeakPolarHBondContact O-CA 3.4Å; S373-Q399 PolarHBondContact O-N 3.35Å; S373-D400 PolarHBondContact O-N 3.09Å | ||
| 374 | M | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 15% | 0.148 | 16% | 0.159 | C | C | . | . | trans | 55.7 | 29.4 | -167.5 | -57.7 | -172.8 | 75.6 | 0 | 0 | 114.3 | P336 Y337 D372 G376 L377 P398 Q399 | P336-M374 HydrophobicContact CB-CB 4.28Å; Y337-M374 HydrophobicContact CD1-CE 4.41Å; Y337-M374 HydrophobicContact CE1-CE 3.62Å; Y337-M374 HydrophobicContact CE2-CE 4.05Å; Y337-M374 VanDerWaalsContact CZ-CE 3.41Å; Y337-M374 WeakPolarHBondContact OH-CE 3.42Å; D372-M374 PolarHBondContact O-N 2.8Å; M374-G376 PolarHBondContact O-N 2.65Å; M374-L377 HydrophobicContact CE-CD1 3.64Å; M374-L377 WeakPolarHBondContact O-CB 3.3Å; M374-L377 PolarHBondContact O-N 2.99Å; M374-L377 VanDerWaalsContact O-N 3.11Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; M374-P398 HydrophobicContact CB-CG 4.31Å; M374-Q399 HydrophobicContact CB-CB 4.42Å; M374-Q399 HydrophobicContact CB-CG 4.36Å; M374-Q399 HydrophobicContact CG-CB 4.03Å; M374-Q399 HydrophobicContact CG-CG 3.67Å; M374-Q399 HydrophobicContact SD-CB 4.46Å; M374-Q399 HydrophobicContact SD-CG 3.47Å; M374-Q399 WeakPolarHBondContact SD-CG 3.33Å | ||
| 375 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -53.7 | 128.8 | 175.4 | 177.9 | -88.4 | 0 | 0 | 0 | 112.4 | G347 A348 V349 L367 G369 S373 V395 G396 A397 Y408 Y410 | G347-F375 CarbonylContact C-O 3.57Å; G347-F375 WeakPolarHBondContact CA-O 3.34Å; A348-F375 PolarHBondContact N-O 3.36Å; A348-F375 VanDerWaalsContact N-O 3.09Å; V349-F375 HydrophobicContact CB-CE1 3.95Å; V349-F375 HydrophobicContact CG2-CD1 4.09Å; V349-F375 HydrophobicContact CG2-CE1 3.69Å; V349-F375 HydrophobicContact CG2-CZ 4.41Å; L367-F375 HydrophobicContact CB-CE1 3.82Å; L367-F375 HydrophobicContact CB-CZ 3.89Å; G369-F375 VanDerWaalsContact CA-CB 3.43Å; S373-F375 PolarHBondContact O-N 2.8Å; S373-F375 WeakPolarHBondContact OG-CB 3.16Å; S373-F375 PolarHBondContact OG-N 3.31Å; F375-V395 HydrophobicContact CD1-CG1 4.16Å; F375-V395 HydrophobicContact CD2-CG1 3.84Å; F375-V395 HydrophobicContact CE1-CG1 3.93Å; F375-V395 HydrophobicContact CE2-CB 4.02Å; F375-V395 HydrophobicContact CE2-CG1 3.58Å; F375-V395 HydrophobicContact CG-CG1 4.13Å; F375-V395 HydrophobicContact CZ-CB 4.12Å; F375-V395 HydrophobicContact CZ-CG1 3.62Å; F375-V395 HydrophobicContact CZ-CG2 4.39Å; F375-G396 WeakPolarHBondContact CA-O 3.36Å; F375-A397 HydrophobicContact CB-CB 3.99Å; F375-A397 HydrophobicContact CD2-CB 4.17Å; F375-Y408 AromaticContact CD2-CD2 3.8Å; F375-Y408 HydrophobicContact CD2-CD2 3.8Å; F375-Y408 AromaticContact CD2-CE2 3.9Å; F375-Y408 HydrophobicContact CD2-CE2 3.9Å; F375-Y408 HydrophobicContact CD2-CG 4.36Å; F375-Y408 HydrophobicContact CE2-CD1 4.4Å; F375-Y408 AromaticContact CE2-CD2 3.78Å; F375-Y408 HydrophobicContact CE2-CD2 3.78Å; F375-Y408 HydrophobicContact CE2-CE2 4.23Å; F375-Y408 AromaticContact CE2-CG 3.88Å; F375-Y408 HydrophobicContact CE2-CG 3.88Å; F375-Y410 HydrophobicContact CE2-CE2 4.02Å; F375-Y410 WeakPolarHBondContact CE2-OH 3.29Å; F375-Y410 AromaticContact CZ-CE2 3.85Å; F375-Y410 HydrophobicContact CZ-CE2 3.85Å; F375-Y410 AromaticContact CZ-CZ 3.98Å; F375-Y410 WeakPolarHBondContact CZ-OH 3.44Å |
| 376 | G | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 23.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G334 P336 V349 M374 G396 | G334-G376 WeakPolarHBondContact CA-O 3.37Å; P336-G376 WeakPolarHBondContact CD-O 3.18Å; V349-G376 VanDerWaalsContact CG2-CA 3.4Å; M374-G376 PolarHBondContact O-N 2.65Å; G376-G396 PolarHBondContact N-O 2.82Å |
| 377 | L | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -73.6 | -37.2 | 168 | -179.3 | 142.9 | 0 | 0 | 0 | 111.4 | Y316 P336 M374 G396 P398 Y437 | Y316-L377 HydrophobicContact CD1-CG 4.34Å; Y316-L377 WeakPolarHBondContact CD1-O 3.5Å; Y316-L377 HydrophobicContact CE1-CD1 4.26Å; Y316-L377 HydrophobicContact CE1-CD2 4.34Å; Y316-L377 HydrophobicContact CE1-CG 3.72Å; P336-L377 HydrophobicContact CB-CB 3.9Å; P336-L377 HydrophobicContact CG-CB 4.38Å; M374-L377 HydrophobicContact CE-CD1 3.64Å; M374-L377 WeakPolarHBondContact O-CB 3.3Å; M374-L377 PolarHBondContact O-N 2.99Å; M374-L377 VanDerWaalsContact O-N 3.11Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; L377-G396 PolarHBondContact N-O 3.42Å; L377-P398 HydrophobicContact CB-CG 4.13Å; L377-P398 HydrophobicContact CD1-CG 3.97Å; L377-P398 HydrophobicContact CD2-CG 4.19Å; L377-P398 HydrophobicContact CG-CG 4.31Å; L377-Y437 HydrophobicContact CD1-CD2 4.19Å; L377-Y437 HydrophobicContact CD1-CE2 3.87Å; L377-Y437 HydrophobicContact CD2-CD1 4.49Å; L377-Y437 HydrophobicContact CD2-CD2 3.66Å; L377-Y437 HydrophobicContact CD2-CE2 3.78Å; L377-Y437 HydrophobicContact CD2-CG 4.04Å; L377-Y437 VanDerWaalsContact CD2-O 3.23Å; L377-Y437 WeakPolarHBondContact CD2-O 3.25Å; L377-Y437 HydrophobicContact CG-CE2 4.48Å |
| 378 | A | 98.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | D317 V395 G396 L439 | D317-A378 VanDerWaalsContact OD2-CA 3.28Å; D317-A378 WeakPolarHBondContact OD2-CA 3.18Å; A378-V395 WeakPolarHBondContact O-CA 3.1Å; A378-G396 PolarHBondContact O-N 3.45Å; A378-L439 HydrophobicContact CB-CD1 3.89Å; A378-L439 HydrophobicContact CB-CG 4.02Å |
| 379 | V | 98.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.8 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 108.6 | D317 A319 V332 V349 V395 | D317-V379 HydrophobicContact CB-CG2 4.14Å; D317-V379 PolarHBondContact OD2-N 2.79Å; A319-V379 HydrophobicContact CB-CG2 4.26Å; V332-V379 HydrophobicContact CG1-CB 3.96Å; V332-V379 HydrophobicContact CG1-CG1 4.15Å; V332-V379 HydrophobicContact CG1-CG2 4.21Å; V349-V379 HydrophobicContact CG1-CG1 4.08Å; V349-V379 HydrophobicContact CG2-CG1 3.56Å; V379-V395 HydrophobicContact CG1-CG1 4.34Å; V379-V395 HydrophobicContact CG1-CG2 4.34Å |
| 380 | E | 97.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.1 | -171.9 | 171.2 | 64.4 | 155.6 | 0 | 0 | 111.7 | I382 I393 A394 L439 A440 G441 | E380-I382 HydrophobicContact CG-CG2 3.97Å; E380-I382 PolarHBondContact O-N 2.85Å; E380-I393 VanDerWaalsContact O-CA 3.28Å; E380-I393 WeakPolarHBondContact O-CA 3.43Å; E380-I393 WeakPolarHBondContact O-CB 3.39Å; E380-A394 PolarHBondContact N-O 3.04Å; E380-A394 PolarHBondContact O-N 2.98Å; E380-L439 HydrophobicContact CB-CB 3.6Å; E380-L439 HydrophobicContact CB-CD1 3.92Å; E380-L439 HydrophobicContact CB-CG 4.42Å; E380-L439 HydrophobicContact CG-CB 4.02Å; E380-A440 WeakPolarHBondContact OE1-CA 3.41Å; E380-G441 PolarHBondContact OE1-N 2.89Å |
| 381 | N | 97.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 111.8 | 169.7 | 176.9 | -7 | 0 | 0 | 0 | 108.1 | V320 V321 G383 | V320-N381 PolarHBondContact O-ND2 2.91Å; V320-N381 VanDerWaalsContact O-ND2 3.14Å; V321-N381 HydrophobicContact CB-CB 4.09Å; V321-N381 WeakPolarHBondContact CB-ND2 3.32Å; V321-N381 HydrophobicContact CG2-CB 4.37Å; N381-G383 PolarHBondContact OD1-N 3.47Å |
| 382 | I | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 3.5 | -176.7 | 65.4 | 174.4 | 0 | 0 | 0 | 113.2 | E380 V385 D392 A394 I409 N442 P451 L453 | E380-I382 HydrophobicContact CG-CG2 3.97Å; E380-I382 PolarHBondContact O-N 2.85Å; I382-V385 HydrophobicContact CD1-CB 4.29Å; I382-V385 HydrophobicContact CD1-CG1 3.57Å; I382-V385 HydrophobicContact CG1-CG1 4.11Å; I382-D392 HydrophobicContact CD1-CB 4.06Å; I382-D392 HydrophobicContact CG1-CB 3.87Å; I382-D392 WeakPolarHBondContact CG1-O 3.28Å; I382-D392 PolarHBondContact N-O 2.87Å; I382-D392 VanDerWaalsContact N-O 3.14Å; I382-A394 HydrophobicContact CD1-CB 4.43Å; I382-A394 HydrophobicContact CG2-CB 3.62Å; I382-I409 HydrophobicContact CD1-CD1 4.3Å; I382-I409 HydrophobicContact CD1-CG2 3.67Å; I382-N442 WeakPolarHBondContact O-CA 3.16Å; I382-N442 PolarHBondContact O-N 2.83Å; I382-P451 WeakPolarHBondContact O-CB 3.09Å; I382-P451 WeakPolarHBondContact O-CG 3.21Å; I382-L453 HydrophobicContact CG2-CD1 3.87Å |
| 383 | G | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.9 | -170.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N381 V385 D392 N442 | N381-G383 PolarHBondContact OD1-N 3.47Å; G383-V385 VanDerWaalsContact C-N 3.32Å; G383-V385 PolarHBondContact O-N 2.87Å; G383-D392 WeakPolarHBondContact O-CB 3.28Å; G383-D392 PolarHBondContact O-N 3.44Å; G383-N442 WeakPolarHBondContact CA-OD1 3.35Å |
| 384 | D | 95.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -74.9 | 76.9 | 176.4 | -178.7 | 6.4 | 0 | 0 | 0 | 110.7 | N386 Q387 D388 S389 F390 P451 R507 | D384-N386 PolarHBondContact OD1-OD1 2.91Å; D384-Q387 VanDerWaalsContact CG-CA 3.43Å; D384-Q387 PolarHBondContact O-N 2.89Å; D384-Q387 PolarHBondContact O-NE2 2.86Å; D384-Q387 VanDerWaalsContact OD1-C 3.28Å; D384-Q387 WeakPolarHBondContact OD1-CA 3.18Å; D384-Q387 PolarHBondContact OD1-N 3.45Å; D384-Q387 WeakPolarHBondContact OD2-CA 3.45Å; D384-D388 PolarHBondContact OD1-N 3.25Å; D384-S389 PolarHBondContact OD1-N 2.87Å; D384-S389 WeakPolarHBondContact OD2-CA 3.43Å; D384-S389 PolarHBondContact OD2-N 3.05Å; D384-F390 WeakPolarHBondContact CA-O 3.48Å; D384-F390 WeakPolarHBondContact CB-O 3.27Å; D384-P451 WeakPolarHBondContact O-CD 3.46Å; D384-R507 IonicContact OD2-CZ 2.71Å; D384-R507 IonicContact OD2-NH1 3.54Å; D384-R507 PolarHBondContact OD2-NH1 2.95Å |
| 385 | V | 94.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -76.3 | -20.2 | -172.8 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | F31 N32 L33 I382 G383 D392 Y450 P451 A467 | F31-V385 HydrophobicContact CE2-CG1 4.2Å; F31-V385 HydrophobicContact CZ-CG1 3.71Å; F31-V385 HydrophobicContact CZ-CG2 4.3Å; N32-V385 PolarHBondContact ND2-O 2.87Å; L33-V385 HydrophobicContact CD2-CG2 3.95Å; L33-V385 HydrophobicContact CG-CG2 4.41Å; I382-V385 HydrophobicContact CD1-CB 4.29Å; I382-V385 HydrophobicContact CD1-CG1 3.57Å; I382-V385 HydrophobicContact CG1-CG1 4.11Å; G383-V385 VanDerWaalsContact C-N 3.32Å; G383-V385 PolarHBondContact O-N 2.87Å; V385-D392 HydrophobicContact CG1-CB 3.87Å; V385-D392 WeakPolarHBondContact CG1-OD2 3.37Å; V385-Y450 WeakPolarHBondContact O-CD1 3.1Å; V385-P451 HydrophobicContact CB-CG 4.09Å; V385-P451 WeakPolarHBondContact CG2-O 3.39Å; V385-A467 HydrophobicContact CG2-CB 3.89Å |
| 386 | N | 91.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 19 Ų | 19 | 10% | 0.096 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -93.7 | -11.2 | 170.9 | 71.9 | 14.7 | 0 | 0 | 0 | 113.8 | F31 D384 D388 H411 V470 | F31-N386 HydrophobicContact CD2-CB 4.21Å; F31-N386 HydrophobicContact CE2-CB 3.92Å; D384-N386 PolarHBondContact OD1-OD1 2.91Å; N386-D388 VanDerWaalsContact ND2-CG 3.34Å; N386-D388 PolarHBondContact ND2-OD2 2.92Å; N386-D388 WeakPolarHBondContact OD1-CA 3.1Å; N386-D388 WeakPolarHBondContact OD1-CB 3.13Å; N386-D388 PolarHBondContact OD1-N 2.85Å; N386-D388 PolarHBondContact OD1-OD1 2.79Å; N386-D388 PolarHBondContact OD1-OD2 3.46Å; N386-H411 PolarHBondContact ND2-CE1 2.75Å; N386-H411 PolarHBondContact ND2-ND1 2.91Å; N386-H411 PolarHBondContact ND2-NE2 3.42Å; N386-V470 WeakPolarHBondContact O-CG2 3.37Å |
| 387 | Q | 91.8 | Very high | 96.3 | Very high | 47 Ų | 47 | 19 Ų | 19 | 22% | 0.22 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 63.9 | 36.4 | -173 | -68.2 | -71.7 | -62.9 | 0 | 0 | 114.2 | D384 Y450 R507 | D384-Q387 VanDerWaalsContact CG-CA 3.43Å; D384-Q387 PolarHBondContact O-N 2.89Å; D384-Q387 PolarHBondContact O-NE2 2.86Å; D384-Q387 VanDerWaalsContact OD1-C 3.28Å; D384-Q387 WeakPolarHBondContact OD1-CA 3.18Å; D384-Q387 PolarHBondContact OD1-N 3.45Å; D384-Q387 WeakPolarHBondContact OD2-CA 3.45Å; Q387-Y450 HydrophobicContact CB-CD1 4.02Å; Q387-Y450 HydrophobicContact CB-CE1 3.5Å; Q387-Y450 VanDerWaalsContact CB-CE1 3.5Å; Q387-Y450 HydrophobicContact CG-CD1 3.39Å; Q387-Y450 HydrophobicContact CG-CD2 4.4Å; Q387-Y450 HydrophobicContact CG-CE1 3.35Å; Q387-Y450 HydrophobicContact CG-CE2 4.36Å; Q387-Y450 HydrophobicContact CG-CG 3.93Å; Q387-R507 HydrophobicContact CB-CB 4.38Å; Q387-R507 PolarHBondContact O-NH1 3.05Å |
| 388 | D | 90.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 18.8 Ų | 18.8 | 30% | 0.299 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -89.5 | -6.8 | 174.4 | 83 | 12.6 | 0 | 0 | 0 | 114.5 | D384 N386 F390 K418 | D384-D388 PolarHBondContact OD1-N 3.25Å; N386-D388 VanDerWaalsContact ND2-CG 3.34Å; N386-D388 PolarHBondContact ND2-OD2 2.92Å; N386-D388 WeakPolarHBondContact OD1-CA 3.1Å; N386-D388 WeakPolarHBondContact OD1-CB 3.13Å; N386-D388 PolarHBondContact OD1-N 2.85Å; N386-D388 PolarHBondContact OD1-OD1 2.79Å; N386-D388 PolarHBondContact OD1-OD2 3.46Å; D388-F390 VanDerWaalsContact OD1-CD2 3.27Å; D388-F390 WeakPolarHBondContact OD1-CD2 3.36Å; D388-F390 PolarHBondContact OD1-N 3.29Å; D388-F390 VanDerWaalsContact OD1-N 3.09Å; D388-K418 IonicContact OD2-NZ 2.74Å; D388-K418 PolarHBondContact OD2-NZ 3.3Å |
| 389 | S | 92.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 21.5 Ų | 21.5 | 48% | 0.476 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 85.2 | 11.3 | -178.8 | -38.8 | 0 | 0 | 0 | 0 | 116.8 | D384 R507 | D384-S389 PolarHBondContact OD1-N 2.87Å; D384-S389 WeakPolarHBondContact OD2-CA 3.43Å; D384-S389 PolarHBondContact OD2-N 3.05Å; S389-R507 PolarHBondContact OG-NH1 3.45Å; S389-R507 PolarHBondContact OG-NH2 2.89Å |
| 390 | F | 95.6 | Very high | 96 | Very high | 51 Ų | 51 | 22 Ų | 22 | 22% | 0.224 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -110.6 | 148.7 | 163.3 | -54.6 | -74.6 | 0 | 0 | 0 | 109.6 | N324 D384 D388 A414 | N324-F390 VanDerWaalsContact O-CE1 3.25Å; N324-F390 WeakPolarHBondContact O-CE1 3.38Å; D384-F390 WeakPolarHBondContact CA-O 3.48Å; D384-F390 WeakPolarHBondContact CB-O 3.27Å; D388-F390 VanDerWaalsContact OD1-CD2 3.27Å; D388-F390 WeakPolarHBondContact OD1-CD2 3.36Å; D388-F390 PolarHBondContact OD1-N 3.29Å; D388-F390 VanDerWaalsContact OD1-N 3.09Å; F390-A414 HydrophobicContact CE1-CB 3.98Å; F390-A414 HydrophobicContact CZ-CB 3.78Å |
| 391 | N | 97.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 20.7 Ų | 20.7 | 25% | 0.251 | 11% | 0.11 | S | C | . | . | trans | -81 | 147.2 | 174.4 | -57.3 | -76.9 | 0 | 0 | 0 | 110.5 | V321 D322 L323 G412 | V321-N391 HydrophobicContact CG2-CB 3.52Å; D322-N391 VanDerWaalsContact O-CB 3.32Å; D322-N391 WeakPolarHBondContact O-CB 3.35Å; D322-N391 PolarHBondContact O-ND2 2.96Å; L323-N391 WeakPolarHBondContact CD2-O 3.37Å; N391-G412 VanDerWaalsContact O-CA 3.29Å; N391-G412 WeakPolarHBondContact O-CA 3.34Å; N391-G412 PolarHBondContact O-N 3.21Å | ||
| 392 | D | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 166.1 | -178.8 | -60.5 | -32.5 | 0 | 0 | 0 | 111.2 | I382 G383 V385 H411 G412 | I382-D392 HydrophobicContact CD1-CB 4.06Å; I382-D392 HydrophobicContact CG1-CB 3.87Å; I382-D392 WeakPolarHBondContact CG1-O 3.28Å; I382-D392 PolarHBondContact N-O 2.87Å; I382-D392 VanDerWaalsContact N-O 3.14Å; G383-D392 WeakPolarHBondContact O-CB 3.28Å; G383-D392 PolarHBondContact O-N 3.44Å; V385-D392 HydrophobicContact CG1-CB 3.87Å; V385-D392 WeakPolarHBondContact CG1-OD2 3.37Å; D392-H411 WeakPolarHBondContact OD1-CA 3.11Å; D392-H411 IonicContact OD1-CG 2.89Å; D392-H411 IonicContact OD1-ND1 2.68Å; D392-H411 PolarHBondContact OD1-ND1 2.84Å; D392-H411 IonicContact OD2-CE1 2.85Å; D392-H411 PolarHBondContact OD2-CE1 2.94Å; D392-H411 VanDerWaalsContact OD2-CE1 3.3Å; D392-H411 IonicContact OD2-CG 2.68Å; D392-H411 IonicContact OD2-ND1 3.59Å; D392-H411 PolarHBondContact OD2-ND1 3.01Å; D392-G412 PolarHBondContact OD1-N 2.75Å |
| 393 | I | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150 | 173.5 | 62.8 | 169.8 | 0 | 0 | 0 | 113 | V321 L323 V332 E380 V395 I409 Y410 I417 | V321-I393 HydrophobicContact CG1-CG2 4Å; L323-I393 HydrophobicContact CD2-CG2 3.92Å; V332-I393 HydrophobicContact CG1-CD1 3.96Å; V332-I393 HydrophobicContact CG2-CD1 4.27Å; V332-I393 HydrophobicContact CG2-CG2 4.44Å; E380-I393 VanDerWaalsContact O-CA 3.28Å; E380-I393 WeakPolarHBondContact O-CA 3.43Å; E380-I393 WeakPolarHBondContact O-CB 3.39Å; I393-V395 HydrophobicContact CD1-CG2 4.09Å; I393-I409 WeakPolarHBondContact O-CA 3.06Å; I393-Y410 PolarHBondContact N-O 3.34Å; I393-Y410 PolarHBondContact O-N 2.87Å; I393-I417 HydrophobicContact CD1-CD1 3.46Å; I393-I417 VanDerWaalsContact CD1-CD1 3.46Å; I393-I417 HydrophobicContact CG1-CD1 3.73Å |
| 394 | A | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E380 I382 V407 Y408 I409 L439 L453 | E380-A394 PolarHBondContact N-O 3.04Å; E380-A394 PolarHBondContact O-N 2.98Å; I382-A394 HydrophobicContact CD1-CB 4.43Å; I382-A394 HydrophobicContact CG2-CB 3.62Å; A394-V407 HydrophobicContact CB-CG1 3.99Å; A394-Y408 CarbonylContact C-O 3.55Å; A394-Y408 WeakPolarHBondContact CA-O 3.42Å; A394-I409 HydrophobicContact CB-CD1 3.81Å; A394-L439 HydrophobicContact CB-CD1 3.88Å; A394-L439 HydrophobicContact CB-CD2 4.49Å; A394-L453 HydrophobicContact CB-CD1 4.2Å; A394-L453 HydrophobicContact CB-CD2 4.01Å |
| 395 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.5 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | V349 F375 A378 V379 I393 V407 Y408 Y410 | V349-V395 HydrophobicContact CG2-CG1 3.59Å; V349-V395 HydrophobicContact CG2-CG2 4.19Å; F375-V395 HydrophobicContact CD1-CG1 4.16Å; F375-V395 HydrophobicContact CD2-CG1 3.84Å; F375-V395 HydrophobicContact CE1-CG1 3.93Å; F375-V395 HydrophobicContact CE2-CB 4.02Å; F375-V395 HydrophobicContact CE2-CG1 3.58Å; F375-V395 HydrophobicContact CG-CG1 4.13Å; F375-V395 HydrophobicContact CZ-CB 4.12Å; F375-V395 HydrophobicContact CZ-CG1 3.62Å; F375-V395 HydrophobicContact CZ-CG2 4.39Å; A378-V395 WeakPolarHBondContact O-CA 3.1Å; V379-V395 HydrophobicContact CG1-CG1 4.34Å; V379-V395 HydrophobicContact CG1-CG2 4.34Å; I393-V395 HydrophobicContact CD1-CG2 4.09Å; V395-V407 WeakPolarHBondContact O-CA 3.45Å; V395-Y408 PolarHBondContact N-O 3.35Å; V395-Y408 PolarHBondContact O-N 3.2Å; V395-Y410 HydrophobicContact CB-CE2 4.33Å; V395-Y410 HydrophobicContact CG2-CD2 4.03Å; V395-Y410 HydrophobicContact CG2-CE2 4.09Å |
| 396 | G | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 137.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F375 G376 L377 A378 G436 | F375-G396 WeakPolarHBondContact CA-O 3.36Å; G376-G396 PolarHBondContact N-O 2.82Å; L377-G396 PolarHBondContact N-O 3.42Å; A378-G396 PolarHBondContact O-N 3.45Å; G396-G436 VanDerWaalsContact CA-O 3.28Å; G396-G436 WeakPolarHBondContact CA-O 3.43Å |
| 397 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 72.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S373 F375 Q399 D400 G405 R406 Y408 | S373-A397 CarbonylContact O-C 3.57Å; S373-A397 WeakPolarHBondContact O-CA 3.4Å; F375-A397 HydrophobicContact CB-CB 3.99Å; F375-A397 HydrophobicContact CD2-CB 4.17Å; A397-Q399 VanDerWaalsContact C-N 3.27Å; A397-Q399 PolarHBondContact O-N 3.07Å; A397-D400 HydrophobicContact CB-CB 4.18Å; A397-D400 WeakPolarHBondContact O-CB 3.28Å; A397-D400 PolarHBondContact O-N 2.85Å; A397-D400 VanDerWaalsContact O-N 3.11Å; A397-G405 WeakPolarHBondContact O-CA 3.5Å; A397-R406 PolarHBondContact N-O 2.91Å; A397-R406 PolarHBondContact O-N 3.36Å; A397-Y408 HydrophobicContact CB-CD2 4.23Å; A397-Y408 HydrophobicContact CB-CE2 3.75Å |
| 398 | P | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.9 | -165.7 | 27.5 | -36.1 | 0 | 0 | 0 | 115.1 | M374 L377 G405 Y434 F435 Y437 | M374-P398 HydrophobicContact CB-CG 4.31Å; L377-P398 HydrophobicContact CB-CG 4.13Å; L377-P398 HydrophobicContact CD1-CG 3.97Å; L377-P398 HydrophobicContact CD2-CG 4.19Å; L377-P398 HydrophobicContact CG-CG 4.31Å; P398-G405 VanDerWaalsContact O-CA 3.31Å; P398-G405 WeakPolarHBondContact O-CA 3.4Å; P398-Y434 HydrophobicContact CB-CD1 4.24Å; P398-Y434 VanDerWaalsContact O-CA 3.32Å; P398-Y434 WeakPolarHBondContact O-CA 3.49Å; P398-F435 WeakPolarHBondContact CA-O 3.39Å; P398-Y437 HydrophobicContact CB-CD2 4.46Å; P398-Y437 HydrophobicContact CG-CD2 4.29Å |
| 399 | Q | 96.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 26.2 Ų | 26.2 | 30% | 0.299 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.8 | 172.9 | -69.7 | -74.4 | 16.7 | 0 | 0 | 113.6 | D372 S373 M374 A397 G403 Y434 | D372-Q399 WeakPolarHBondContact O-CB 3.28Å; S373-Q399 PolarHBondContact O-N 3.35Å; M374-Q399 HydrophobicContact CB-CB 4.42Å; M374-Q399 HydrophobicContact CB-CG 4.36Å; M374-Q399 HydrophobicContact CG-CB 4.03Å; M374-Q399 HydrophobicContact CG-CG 3.67Å; M374-Q399 HydrophobicContact SD-CB 4.46Å; M374-Q399 HydrophobicContact SD-CG 3.47Å; M374-Q399 WeakPolarHBondContact SD-CG 3.33Å; A397-Q399 VanDerWaalsContact C-N 3.27Å; A397-Q399 PolarHBondContact O-N 3.07Å; Q399-G403 PolarHBondContact O-N 2.76Å; Q399-G403 VanDerWaalsContact O-N 3.09Å; Q399-Y434 HydrophobicContact CG-CE1 4.47Å; Q399-Y434 VanDerWaalsContact NE2-CE1 3.31Å; Q399-Y434 PolarHBondContact NE2-OH 3.04Å |
| 400 | D | 95.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | 159.6 | 176.9 | -165.2 | 39.3 | 0 | 0 | 0 | 111.5 | T370 S373 A397 E402 G403 A404 G405 R406 Y408 | T370-D400 VanDerWaalsContact OG1-CG 3.26Å; T370-D400 PolarHBondContact OG1-OD1 2.85Å; S373-D400 PolarHBondContact O-N 3.09Å; A397-D400 HydrophobicContact CB-CB 4.18Å; A397-D400 WeakPolarHBondContact O-CB 3.28Å; A397-D400 PolarHBondContact O-N 2.85Å; A397-D400 VanDerWaalsContact O-N 3.11Å; D400-E402 PolarHBondContact O-N 3.14Å; D400-G403 PolarHBondContact O-N 3.3Å; D400-A404 PolarHBondContact O-N 2.78Å; D400-G405 WeakPolarHBondContact O-CA 3.34Å; D400-G405 PolarHBondContact O-N 3.23Å; D400-R406 HydrophobicContact CB-CB 4.21Å; D400-R406 HydrophobicContact CB-CG 4.08Å; D400-R406 WeakPolarHBondContact OD2-CD 3.43Å; D400-R406 WeakPolarHBondContact OD2-CG 3.43Å; D400-R406 IonicContact OD2-CZ 2.86Å; D400-R406 IonicContact OD2-NE 3.56Å; D400-R406 PolarHBondContact OD2-NE 2.76Å; D400-R406 IonicContact OD2-NH1 3.17Å; D400-R406 PolarHBondContact OD2-NH1 2.71Å; D400-Y408 PolarHBondContact OD2-OH 3.13Å |
| 401 | D | 92.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 14% | 0.144 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | 58.1 | 49.3 | 174.4 | -149.5 | -7.5 | 0 | 0 | 0 | 112.9 | G403 A404 R406 S426 K428 | D401-G403 PolarHBondContact O-N 3.41Å; D401-A404 HydrophobicContact CB-CB 4.41Å; D401-A404 WeakPolarHBondContact O-CB 3.3Å; D401-A404 PolarHBondContact O-N 3.13Å; D401-R406 HydrophobicContact CB-CG 4.22Å; D401-R406 IonicContact OD1-NH2 2.58Å; D401-R406 IonicContact OD2-CZ 3.63Å; D401-R406 IonicContact OD2-NE 2.67Å; D401-R406 PolarHBondContact OD2-NE 3.18Å; D401-R406 IonicContact OD2-NH2 3.64Å; D401-R406 PolarHBondContact OD2-NH2 2.72Å; D401-S426 PolarHBondContact OD2-OG 3.27Å; D401-K428 WeakPolarHBondContact OD1-CD 3.4Å; D401-K428 WeakPolarHBondContact OD1-CE 3.34Å; D401-K428 IonicContact OD1-NZ 3.3Å; D401-K428 PolarHBondContact OD1-NZ 3.34Å |
| 402 | E | 91 | Very high | 96.5 | Very high | 178 Ų | 178 | 19.6 Ų | 19.6 | 83% | 0.832 | 9% | 0.093 | S | C | * | . | H | α-helix | trans | 63.6 | 32.9 | -179.1 | -58.1 | 165.1 | -109.8 | 0 | 0 | 114.2 | D400 A404 K428 | D400-E402 PolarHBondContact O-N 3.14Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-K428 IonicContact OE1-NZ 2.74Å; E402-K428 PolarHBondContact OE1-NZ 2.9Å |
| 403 | G | 92.6 | Very high | 96.4 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 8% | 0.082 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | 84.1 | 4.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q399 D400 D401 G405 R433 Y434 | Q399-G403 PolarHBondContact O-N 2.76Å; Q399-G403 VanDerWaalsContact O-N 3.09Å; D400-G403 PolarHBondContact O-N 3.3Å; D401-G403 PolarHBondContact O-N 3.41Å; G403-G405 VanDerWaalsContact C-N 3.33Å; G403-R433 WeakPolarHBondContact O-CA 3.33Å; G403-Y434 PolarHBondContact O-N 3.45Å |
| 404 | A | 94.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -38.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D400 D401 E402 K428 L432 R433 Y434 F435 | D400-A404 PolarHBondContact O-N 2.78Å; D401-A404 HydrophobicContact CB-CB 4.41Å; D401-A404 WeakPolarHBondContact O-CB 3.3Å; D401-A404 PolarHBondContact O-N 3.13Å; E402-A404 VanDerWaalsContact C-N 3.33Å; A404-K428 HydrophobicContact CB-CB 4.07Å; A404-K428 HydrophobicContact CB-CG 4.47Å; A404-L432 WeakPolarHBondContact CA-O 3.24Å; A404-R433 CarbonylContact O-C 3.24Å; A404-Y434 PolarHBondContact O-N 2.94Å; A404-F435 VanDerWaalsContact O-CB 3.27Å; A404-F435 WeakPolarHBondContact O-CB 3.36Å; A404-F435 PolarHBondContact O-N 2.8Å |
| 405 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 90.4 | 148.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A397 P398 D400 G403 G427 F435 | A397-G405 WeakPolarHBondContact O-CA 3.5Å; P398-G405 VanDerWaalsContact O-CA 3.31Å; P398-G405 WeakPolarHBondContact O-CA 3.4Å; D400-G405 WeakPolarHBondContact O-CA 3.34Å; D400-G405 PolarHBondContact O-N 3.23Å; G403-G405 VanDerWaalsContact C-N 3.33Å; G405-G427 PolarHBondContact O-N 2.88Å; G405-F435 CarbonylContact C-O 3.59Å; G405-F435 VanDerWaalsContact C-O 3.29Å; G405-F435 VanDerWaalsContact CA-O 3.27Å; G405-F435 WeakPolarHBondContact CA-O 3.39Å | ||
| 406 | R | 97.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 30.8 Ų | 30.8 | 25% | 0.249 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.4 | 178.1 | -62.9 | -155 | -173.5 | 138.7 | -13.1 | 112.5 | A397 D400 D401 Y408 I424 L425 F435 | A397-R406 PolarHBondContact N-O 2.91Å; A397-R406 PolarHBondContact O-N 3.36Å; D400-R406 HydrophobicContact CB-CB 4.21Å; D400-R406 HydrophobicContact CB-CG 4.08Å; D400-R406 WeakPolarHBondContact OD2-CD 3.43Å; D400-R406 WeakPolarHBondContact OD2-CG 3.43Å; D400-R406 IonicContact OD2-CZ 2.86Å; D400-R406 IonicContact OD2-NE 3.56Å; D400-R406 PolarHBondContact OD2-NE 2.76Å; D400-R406 IonicContact OD2-NH1 3.17Å; D400-R406 PolarHBondContact OD2-NH1 2.71Å; D401-R406 HydrophobicContact CB-CG 4.22Å; D401-R406 IonicContact OD1-NH2 2.58Å; D401-R406 IonicContact OD2-CZ 3.63Å; D401-R406 IonicContact OD2-NE 2.67Å; D401-R406 PolarHBondContact OD2-NE 3.18Å; D401-R406 IonicContact OD2-NH2 3.64Å; D401-R406 PolarHBondContact OD2-NH2 2.72Å; R406-Y408 HydrophobicContact CB-CE2 4.1Å; R406-I424 HydrophobicContact CB-CG2 4.24Å; R406-L425 CarbonylContact C-O 3.55Å; R406-L425 VanDerWaalsContact CA-O 3.23Å; R406-L425 WeakPolarHBondContact CA-O 3.48Å; R406-L425 WeakPolarHBondContact CB-O 3.37Å; R406-F435 PolarHBondContact N-O 3Å |
| 407 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | A394 V395 I409 I424 L425 F435 G436 L439 L453 V455 | A394-V407 HydrophobicContact CB-CG1 3.99Å; V395-V407 WeakPolarHBondContact O-CA 3.45Å; V407-I409 HydrophobicContact CG1-CD1 4.11Å; V407-I424 CarbonylContact O-C 3.59Å; V407-I424 WeakPolarHBondContact O-CA 3.46Å; V407-L425 HydrophobicContact CB-CB 4.33Å; V407-L425 PolarHBondContact N-O 3.25Å; V407-L425 PolarHBondContact O-N 3.02Å; V407-F435 HydrophobicContact CB-CE1 4.37Å; V407-F435 HydrophobicContact CG2-CD1 4.25Å; V407-F435 HydrophobicContact CG2-CE1 3.88Å; V407-G436 VanDerWaalsContact CG2-CA 3.46Å; V407-L439 HydrophobicContact CG1-CD2 3.85Å; V407-L439 HydrophobicContact CG2-CD2 3.8Å; V407-L453 HydrophobicContact CG1-CD2 4.34Å; V407-V455 HydrophobicContact CG2-CB 4.46Å; V407-V455 HydrophobicContact CG2-CG1 3.56Å; V407-V455 HydrophobicContact CG2-CG2 4Å |
| 408 | Y | 98 | Very high | 95.3 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.7 | -178.8 | -65 | -106.6 | 0 | 0 | 0 | 109.6 | F375 A394 V395 A397 D400 R406 Y410 P421 I424 | F375-Y408 AromaticContact CD2-CD2 3.8Å; F375-Y408 HydrophobicContact CD2-CD2 3.8Å; F375-Y408 AromaticContact CD2-CE2 3.9Å; F375-Y408 HydrophobicContact CD2-CE2 3.9Å; F375-Y408 HydrophobicContact CD2-CG 4.36Å; F375-Y408 HydrophobicContact CE2-CD1 4.4Å; F375-Y408 AromaticContact CE2-CD2 3.78Å; F375-Y408 HydrophobicContact CE2-CD2 3.78Å; F375-Y408 HydrophobicContact CE2-CE2 4.23Å; F375-Y408 AromaticContact CE2-CG 3.88Å; F375-Y408 HydrophobicContact CE2-CG 3.88Å; A394-Y408 CarbonylContact C-O 3.55Å; A394-Y408 WeakPolarHBondContact CA-O 3.42Å; V395-Y408 PolarHBondContact N-O 3.35Å; V395-Y408 PolarHBondContact O-N 3.2Å; A397-Y408 HydrophobicContact CB-CD2 4.23Å; A397-Y408 HydrophobicContact CB-CE2 3.75Å; D400-Y408 PolarHBondContact OD2-OH 3.13Å; R406-Y408 HydrophobicContact CB-CE2 4.1Å; Y408-Y410 VanDerWaalsContact CB-CE2 3.46Å; Y408-Y410 HydrophobicContact CG-CE2 4.38Å; Y408-P421 HydrophobicContact CD1-CB 4.11Å; Y408-P421 HydrophobicContact CD1-CG 4.13Å; Y408-I424 HydrophobicContact CD1-CD1 3.82Å; Y408-I424 HydrophobicContact CD1-CG1 3.77Å; Y408-I424 HydrophobicContact CD1-CG2 4.43Å; Y408-I424 HydrophobicContact CE1-CD1 3.66Å; Y408-I424 HydrophobicContact CE1-CG1 4.09Å; Y408-I424 HydrophobicContact CE1-CG2 4.4Å; Y408-I424 HydrophobicContact CG-CG1 4.47Å |
| 409 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.6 | 175.5 | -44.6 | -58.4 | 0 | 0 | 0 | 109.2 | F31 L33 I382 I393 A394 V407 P421 A422 Q423 L453 | F31-I409 HydrophobicContact CE1-CB 3.96Å; F31-I409 HydrophobicContact CE1-CG1 4.3Å; F31-I409 HydrophobicContact CE1-CG2 3.65Å; F31-I409 HydrophobicContact CZ-CG2 4.06Å; L33-I409 HydrophobicContact CD1-CD1 3.97Å; L33-I409 HydrophobicContact CD1-CG1 3.98Å; I382-I409 HydrophobicContact CD1-CD1 4.3Å; I382-I409 HydrophobicContact CD1-CG2 3.67Å; I393-I409 WeakPolarHBondContact O-CA 3.06Å; A394-I409 HydrophobicContact CB-CD1 3.81Å; V407-I409 HydrophobicContact CG1-CD1 4.11Å; I409-P421 CarbonylContact O-C 3.56Å; I409-P421 VanDerWaalsContact O-CA 3.28Å; I409-P421 WeakPolarHBondContact O-CA 3.27Å; I409-A422 PolarHBondContact O-N 3.08Å; I409-Q423 HydrophobicContact CB-CB 4.47Å; I409-Q423 HydrophobicContact CG1-CB 4.3Å; I409-Q423 PolarHBondContact N-O 3.29Å; I409-L453 HydrophobicContact CD1-CD2 3.52Å |
| 410 | Y | 97.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.2 | 178.3 | -66.2 | -89.3 | 0 | 0 | 0 | 110 | L367 F375 I393 V395 Y408 P421 | L367-Y410 HydrophobicContact CD1-CD1 4.03Å; L367-Y410 HydrophobicContact CD1-CD2 3.88Å; L367-Y410 HydrophobicContact CD1-CE1 4.03Å; L367-Y410 HydrophobicContact CD1-CE2 3.88Å; L367-Y410 HydrophobicContact CD1-CG 3.94Å; L367-Y410 HydrophobicContact CD2-CD1 4.3Å; L367-Y410 HydrophobicContact CD2-CE1 4.07Å; F375-Y410 HydrophobicContact CE2-CE2 4.02Å; F375-Y410 WeakPolarHBondContact CE2-OH 3.29Å; F375-Y410 AromaticContact CZ-CE2 3.85Å; F375-Y410 HydrophobicContact CZ-CE2 3.85Å; F375-Y410 AromaticContact CZ-CZ 3.98Å; F375-Y410 WeakPolarHBondContact CZ-OH 3.44Å; I393-Y410 PolarHBondContact N-O 3.34Å; I393-Y410 PolarHBondContact O-N 2.87Å; V395-Y410 HydrophobicContact CB-CE2 4.33Å; V395-Y410 HydrophobicContact CG2-CD2 4.03Å; V395-Y410 HydrophobicContact CG2-CE2 4.09Å; Y408-Y410 VanDerWaalsContact CB-CE2 3.46Å; Y408-Y410 HydrophobicContact CG-CE2 4.38Å; Y410-P421 HydrophobicContact CD1-CB 4.28Å; Y410-P421 HydrophobicContact CE1-CB 3.9Å; Y410-P421 HydrophobicContact CE1-CG 4.33Å |
| 411 | H | 95.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | trans | -85.7 | 145.7 | -177.7 | -75.8 | -47.4 | 0 | 0 | 0 | 113.4 | F31 N386 D392 K418 A422 | F31-H411 AromaticContact CD2-CE1 3.64Å; F31-H411 AromaticContact CD2-NE2 3.55Å; F31-H411 AromaticContact CE2-CE1 3.37Å; F31-H411 WeakPolarHBondContact CE2-CE1 3.25Å; F31-H411 AromaticContact CE2-NE2 3.8Å; F31-H411 AromaticContact CG-NE2 3.71Å; F31-H411 AromaticContact CZ-CE1 3.61Å; N386-H411 PolarHBondContact ND2-CE1 2.75Å; N386-H411 PolarHBondContact ND2-ND1 2.91Å; N386-H411 PolarHBondContact ND2-NE2 3.42Å; D392-H411 WeakPolarHBondContact OD1-CA 3.11Å; D392-H411 IonicContact OD1-CG 2.89Å; D392-H411 IonicContact OD1-ND1 2.68Å; D392-H411 PolarHBondContact OD1-ND1 2.84Å; D392-H411 IonicContact OD2-CE1 2.85Å; D392-H411 PolarHBondContact OD2-CE1 2.94Å; D392-H411 VanDerWaalsContact OD2-CE1 3.3Å; D392-H411 IonicContact OD2-CG 2.68Å; D392-H411 IonicContact OD2-ND1 3.59Å; D392-H411 PolarHBondContact OD2-ND1 3.01Å; H411-K418 HydrophobicContact CB-CB 4.37Å; H411-K418 HydrophobicContact CB-CD 3.81Å; H411-K418 HydrophobicContact CB-CG 4.1Å; H411-K418 WeakPolarHBondContact O-CB 3.33Å; H411-K418 WeakPolarHBondContact O-CG 3.49Å; H411-K418 PolarHBondContact O-N 2.9Å; H411-A422 WeakPolarHBondContact CD2-CB 3.42Å; H411-A422 WeakPolarHBondContact NE2-CB 3.06Å | ||
| 412 | G | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -67.6 | 172.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L323 N391 D392 G416 K418 | L323-G412 CarbonylContact O-C 3.49Å; L323-G412 WeakPolarHBondContact O-CA 3.45Å; N391-G412 VanDerWaalsContact O-CA 3.29Å; N391-G412 WeakPolarHBondContact O-CA 3.34Å; N391-G412 PolarHBondContact O-N 3.21Å; D392-G412 PolarHBondContact OD1-N 2.75Å; G412-G416 CarbonylContact C-O 3.56Å; G412-K418 WeakPolarHBondContact O-CE 3.15Å; G412-K418 PolarHBondContact O-NZ 2.89Å | ||
| 413 | S | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | trans | -174.6 | 161.6 | 175.7 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | L323 N324 Q415 G416 | L323-S413 PolarHBondContact O-N 3.23Å; L323-S413 VanDerWaalsContact O-O 3.14Å; N324-S413 VanDerWaalsContact CA-O 3.31Å; N324-S413 WeakPolarHBondContact CA-O 3.4Å; S413-Q415 PolarHBondContact O-N 3.24Å; S413-Q415 PolarHBondContact OG-N 2.88Å; S413-G416 WeakPolarHBondContact CA-O 3.37Å; S413-G416 WeakPolarHBondContact CB-O 3.21Å; S413-G416 PolarHBondContact N-O 2.89Å; S413-G416 PolarHBondContact O-N 3.32Å; S413-G416 PolarHBondContact OG-O 2.74Å | ||
| 414 | A | 94.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 51% | 0.512 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 10.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | F390 | F390-A414 HydrophobicContact CE1-CB 3.98Å; F390-A414 HydrophobicContact CZ-CB 3.78Å |
| 415 | Q | 91.3 | Very high | 95.5 | Very high | 159 Ų | 159 | 35 Ų | 35 | 74% | 0.743 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119 | 9.2 | 170.2 | -68.5 | 79.1 | 69.3 | 0 | 0 | 112.4 | S413 | S413-Q415 PolarHBondContact O-N 3.24Å; S413-Q415 PolarHBondContact OG-N 2.88Å |
| 416 | G | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 88.9 | -138.4 | -164 | 0 | 0 | 0 | 0 | 0 | 110.9 | G412 S413 | G412-G416 CarbonylContact C-O 3.56Å; S413-G416 WeakPolarHBondContact CA-O 3.37Å; S413-G416 WeakPolarHBondContact CB-O 3.21Å; S413-G416 PolarHBondContact N-O 2.89Å; S413-G416 PolarHBondContact O-N 3.32Å; S413-G416 PolarHBondContact OG-O 2.74Å |
| 417 | I | 96.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | trans | -88.8 | 134.6 | -170.7 | -162.8 | 163.8 | 0 | 0 | 0 | 114.4 | L323 V351 I365 L367 I393 T419 | L323-I417 HydrophobicContact CD1-CB 4.37Å; L323-I417 HydrophobicContact CD1-CD1 4.41Å; V351-I417 HydrophobicContact CB-CG2 4.36Å; V351-I417 HydrophobicContact CG1-CG2 4.23Å; V351-I417 HydrophobicContact CG2-CD1 4.2Å; V351-I417 HydrophobicContact CG2-CG2 4.32Å; I365-I417 HydrophobicContact CB-CG2 4.38Å; I365-I417 HydrophobicContact CD1-CG2 3.91Å; I365-I417 HydrophobicContact CG2-CG2 3.92Å; L367-I417 HydrophobicContact CD1-CD1 4.07Å; I393-I417 HydrophobicContact CD1-CD1 3.46Å; I393-I417 VanDerWaalsContact CD1-CD1 3.46Å; I393-I417 HydrophobicContact CG1-CD1 3.73Å; I417-T419 PolarHBondContact O-N 3Å | ||
| 418 | K | 95.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | trans | -69.9 | 108.1 | 170.5 | -54.1 | -168.4 | -171 | 90.4 | 0 | 108.4 | D388 H411 G412 T420 | D388-K418 IonicContact OD2-NZ 2.74Å; D388-K418 PolarHBondContact OD2-NZ 3.3Å; H411-K418 HydrophobicContact CB-CB 4.37Å; H411-K418 HydrophobicContact CB-CD 3.81Å; H411-K418 HydrophobicContact CB-CG 4.1Å; H411-K418 WeakPolarHBondContact O-CB 3.33Å; H411-K418 WeakPolarHBondContact O-CG 3.49Å; H411-K418 PolarHBondContact O-N 2.9Å; G412-K418 WeakPolarHBondContact O-CE 3.15Å; G412-K418 PolarHBondContact O-NZ 2.89Å; K418-T420 PolarHBondContact O-N 2.99Å; K418-T420 VanDerWaalsContact O-N 3.16Å | ||
| 419 | T | 95.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 53% | 0.534 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -70.8 | -9.6 | -169.4 | 54.9 | 0 | 0 | 0 | 0 | 116 | I365 L367 I417 | I365-T419 HydrophobicContact CG2-CG2 3.73Å; L367-T419 HydrophobicContact CD2-CG2 4.17Å; I417-T419 PolarHBondContact O-N 3Å |
| 420 | T | 94 | Very high | 92.8 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 60% | 0.595 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -94 | 129.8 | 170.3 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | K418 A422 | K418-T420 PolarHBondContact O-N 2.99Å; K418-T420 VanDerWaalsContact O-N 3.16Å; T420-A422 PolarHBondContact O-N 2.97Å |
| 421 | P | 94.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 24% | 0.24 | 28% | 0.282 | C | S | . | . | trans | -63.6 | 135.6 | 178.3 | 27.6 | -34.3 | 0 | 0 | 0 | 110.8 | Y408 I409 Y410 I424 | Y408-P421 HydrophobicContact CD1-CB 4.11Å; Y408-P421 HydrophobicContact CD1-CG 4.13Å; I409-P421 CarbonylContact O-C 3.56Å; I409-P421 VanDerWaalsContact O-CA 3.28Å; I409-P421 WeakPolarHBondContact O-CA 3.27Å; Y410-P421 HydrophobicContact CD1-CB 4.28Å; Y410-P421 HydrophobicContact CE1-CB 3.9Å; Y410-P421 HydrophobicContact CE1-CG 4.33Å; P421-I424 HydrophobicContact CB-CG1 4.2Å; P421-I424 HydrophobicContact CG-CD1 4.12Å; P421-I424 HydrophobicContact CG-CG1 4.24Å | ||
| 422 | A | 93.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -76.4 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F31 I409 H411 T420 | F31-A422 HydrophobicContact CB-CB 4.43Å; F31-A422 HydrophobicContact CD1-CB 3.57Å; F31-A422 HydrophobicContact CE1-CB 4.16Å; F31-A422 HydrophobicContact CG-CB 4.1Å; I409-A422 PolarHBondContact O-N 3.08Å; H411-A422 WeakPolarHBondContact CD2-CB 3.42Å; H411-A422 WeakPolarHBondContact NE2-CB 3.06Å; T420-A422 PolarHBondContact O-N 2.97Å |
| 423 | Q | 94.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.6 | 175 | 170.8 | 163.2 | -2.9 | 0 | 0 | 110.7 | R29 A30 F31 L33 I409 L425 | R29-Q423 WeakPolarHBondContact O-CA 3.41Å; R29-Q423 VanDerWaalsContact O-CB 3.23Å; R29-Q423 WeakPolarHBondContact O-CB 3.38Å; R29-Q423 WeakPolarHBondContact O-CG 3.49Å; A30-Q423 VanDerWaalsContact CA-CD 3.44Å; F31-Q423 HydrophobicContact CD1-CB 3.43Å; F31-Q423 VanDerWaalsContact CD1-CB 3.43Å; F31-Q423 HydrophobicContact CE1-CB 3.83Å; L33-Q423 PolarHBondContact O-NE2 2.9Å; I409-Q423 HydrophobicContact CB-CB 4.47Å; I409-Q423 HydrophobicContact CG1-CB 4.3Å; I409-Q423 PolarHBondContact N-O 3.29Å; Q423-L425 HydrophobicContact CG-CD2 4.01Å; Q423-L425 VanDerWaalsContact NE2-CD2 3.34Å |
| 424 | I | 96.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.4 | 173.3 | -55 | 175.1 | 0 | 0 | 0 | 107.1 | R406 V407 Y408 P421 | R406-I424 HydrophobicContact CB-CG2 4.24Å; V407-I424 CarbonylContact O-C 3.59Å; V407-I424 WeakPolarHBondContact O-CA 3.46Å; Y408-I424 HydrophobicContact CD1-CD1 3.82Å; Y408-I424 HydrophobicContact CD1-CG1 3.77Å; Y408-I424 HydrophobicContact CD1-CG2 4.43Å; Y408-I424 HydrophobicContact CE1-CD1 3.66Å; Y408-I424 HydrophobicContact CE1-CG1 4.09Å; Y408-I424 HydrophobicContact CE1-CG2 4.4Å; Y408-I424 HydrophobicContact CG-CG1 4.47Å; P421-I424 HydrophobicContact CB-CG1 4.2Å; P421-I424 HydrophobicContact CG-CD1 4.12Å; P421-I424 HydrophobicContact CG-CG1 4.24Å |
| 425 | L | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139 | 173.5 | -52.1 | 176.6 | 0 | 0 | 0 | 108.2 | L33 T35 R406 V407 Q423 F435 L453 V455 Y465 | L33-L425 HydrophobicContact CD1-CD1 4.3Å; T35-L425 HydrophobicContact CG2-CD2 3.84Å; R406-L425 CarbonylContact C-O 3.55Å; R406-L425 VanDerWaalsContact CA-O 3.23Å; R406-L425 WeakPolarHBondContact CA-O 3.48Å; R406-L425 WeakPolarHBondContact CB-O 3.37Å; V407-L425 HydrophobicContact CB-CB 4.33Å; V407-L425 PolarHBondContact N-O 3.25Å; V407-L425 PolarHBondContact O-N 3.02Å; Q423-L425 HydrophobicContact CG-CD2 4.01Å; Q423-L425 VanDerWaalsContact NE2-CD2 3.34Å; L425-F435 HydrophobicContact CB-CE1 3.87Å; L425-F435 HydrophobicContact CB-CZ 4.07Å; L425-L453 HydrophobicContact CD1-CD2 4.09Å; L425-V455 HydrophobicContact CD1-CG2 4.29Å; L425-Y465 HydrophobicContact CD1-CD1 4.06Å; L425-Y465 HydrophobicContact CD1-CD2 3.81Å; L425-Y465 HydrophobicContact CD1-CE1 4.25Å; L425-Y465 HydrophobicContact CD1-CE2 4.01Å; L425-Y465 HydrophobicContact CD1-CG 3.85Å; L425-Y465 HydrophobicContact CD2-CD1 3.97Å; L425-Y465 HydrophobicContact CD2-CE1 4.02Å |
| 426 | S | 92.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.5 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | D401 K428 | D401-S426 PolarHBondContact OD2-OG 3.27Å; S426-K428 PolarHBondContact O-N 3.24Å; S426-K428 WeakPolarHBondContact OG-CB 3.35Å; S426-K428 PolarHBondContact OG-N 3.24Å |
| 427 | G | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -70.4 | -12.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | G405 E429 H430 S431 L432 | G405-G427 PolarHBondContact O-N 2.88Å; G427-E429 PolarHBondContact O-N 3.3Å; G427-H430 CarbonylContact O-C 3.6Å; G427-H430 PolarHBondContact O-N 3.23Å; G427-H430 VanDerWaalsContact O-N 3.08Å; G427-S431 PolarHBondContact O-N 3.25Å; G427-L432 PolarHBondContact O-N 2.97Å; G427-L432 VanDerWaalsContact O-N 3.16Å |
| 428 | K | 87.9 | Confident | 92.2 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -63.9 | -38.1 | -177 | -159.3 | 174.3 | -144.6 | 156.8 | 0 | 112.3 | D401 E402 A404 S426 H430 S431 | D401-K428 WeakPolarHBondContact OD1-CD 3.4Å; D401-K428 WeakPolarHBondContact OD1-CE 3.34Å; D401-K428 IonicContact OD1-NZ 3.3Å; D401-K428 PolarHBondContact OD1-NZ 3.34Å; E402-K428 IonicContact OE1-NZ 2.74Å; E402-K428 PolarHBondContact OE1-NZ 2.9Å; A404-K428 HydrophobicContact CB-CB 4.07Å; A404-K428 HydrophobicContact CB-CG 4.47Å; S426-K428 PolarHBondContact O-N 3.24Å; S426-K428 WeakPolarHBondContact OG-CB 3.35Å; S426-K428 PolarHBondContact OG-N 3.24Å; K428-H430 PolarHBondContact O-N 2.99Å; K428-S431 PolarHBondContact O-N 3.35Å; K428-S431 VanDerWaalsContact O-N 3.13Å |
| 429 | E | 79.1 | Confident | 92.3 | Very high | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -63.3 | -21.5 | 175.9 | -63.1 | -175.7 | -163.2 | 0 | 0 | 112.7 | G427 | G427-E429 PolarHBondContact O-N 3.3Š|
| 430 | H | 78.9 | Confident | 92.5 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -105.5 | 5.4 | 179.3 | -58.1 | -43.7 | 0 | 0 | 0 | 113.3 | G427 K428 L432 F463 Y465 | G427-H430 CarbonylContact O-C 3.6Å; G427-H430 PolarHBondContact O-N 3.23Å; G427-H430 VanDerWaalsContact O-N 3.08Å; K428-H430 PolarHBondContact O-N 2.99Å; H430-L432 HydrophobicContact CB-CD1 3.7Å; H430-L432 HydrophobicContact CB-CG 3.7Å; H430-L432 PolarHBondContact O-N 3.45Å; H430-F463 HydrophobicContact CB-CE1 4.11Å; H430-F463 HydrophobicContact CB-CZ 4.16Å; H430-F463 AromaticContact CD2-CD1 3.88Å; H430-F463 AromaticContact CD2-CE1 3.72Å; H430-F463 AromaticContact CG-CE1 3.76Å; H430-Y465 PolarHBondContact NE2-OH 3.22Å |
| 431 | S | 83.8 | Confident | 92.5 | Very high | 117 Ų | 117 | 44 Ų | 44 | 82% | 0.818 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 31.7 | -177.2 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | G427 K428 | G427-S431 PolarHBondContact O-N 3.25Å; K428-S431 PolarHBondContact O-N 3.35Å; K428-S431 VanDerWaalsContact O-N 3.13Å |
| 432 | L | 85.5 | Confident | 92.5 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | trans | -83.5 | 173.6 | -177.9 | -61.5 | 170.4 | 0 | 0 | 0 | 112.7 | A404 G427 H430 F435 F463 | A404-L432 WeakPolarHBondContact CA-O 3.24Å; G427-L432 PolarHBondContact O-N 2.97Å; G427-L432 VanDerWaalsContact O-N 3.16Å; H430-L432 HydrophobicContact CB-CD1 3.7Å; H430-L432 HydrophobicContact CB-CG 3.7Å; H430-L432 PolarHBondContact O-N 3.45Å; L432-F435 HydrophobicContact CB-CB 4.39Å; L432-F435 HydrophobicContact CD1-CB 4.08Å; L432-F435 HydrophobicContact CD1-CD2 3.55Å; L432-F435 HydrophobicContact CD1-CE2 4.39Å; L432-F435 HydrophobicContact CD1-CG 4.17Å; L432-F463 HydrophobicContact CD1-CD2 4.02Å; L432-F463 HydrophobicContact CD1-CE1 4.42Å; L432-F463 HydrophobicContact CD1-CE2 3.34Å; L432-F463 HydrophobicContact CD1-CZ 3.59Å; L432-F463 HydrophobicContact CD2-CE2 3.85Å; L432-F463 HydrophobicContact CD2-CZ 3.87Å; L432-F463 HydrophobicContact CG-CE2 4.19Å; L432-F463 HydrophobicContact CG-CZ 4.18Å | ||
| 433 | R | 91.7 | Very high | 92.6 | Very high | 174 Ų | 174 | 46.8 Ų | 46.8 | 66% | 0.657 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -127.3 | 153.6 | 156.9 | -65.6 | -178.1 | 173.4 | -174.3 | -4.7 | 110.6 | G403 A404 F435 S457 S459 | G403-R433 WeakPolarHBondContact O-CA 3.33Å; A404-R433 CarbonylContact O-C 3.24Å; R433-F435 PolarHBondContact O-N 3.02Å; R433-S457 PolarHBondContact O-OG 3.32Å; R433-S459 PolarHBondContact N-OG 2.86Å; R433-S459 PolarHBondContact O-OG 2.64Å |
| 434 | Y | 95.4 | Very high | 92.6 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 55.2 | 32.6 | 178 | -54.9 | -86.1 | 0 | 0 | 0 | 114.2 | P398 Q399 G403 A404 Y437 S457 L458 | P398-Y434 HydrophobicContact CB-CD1 4.24Å; P398-Y434 VanDerWaalsContact O-CA 3.32Å; P398-Y434 WeakPolarHBondContact O-CA 3.49Å; Q399-Y434 HydrophobicContact CG-CE1 4.47Å; Q399-Y434 VanDerWaalsContact NE2-CE1 3.31Å; Q399-Y434 PolarHBondContact NE2-OH 3.04Å; G403-Y434 PolarHBondContact O-N 3.45Å; A404-Y434 PolarHBondContact O-N 2.94Å; Y434-Y437 WeakPolarHBondContact O-CB 3.35Å; Y434-Y437 PolarHBondContact O-N 2.97Å; Y434-S457 WeakPolarHBondContact O-CA 3.27Å; Y434-L458 HydrophobicContact CD1-CD1 4.28Å; Y434-L458 HydrophobicContact CD2-CB 4.17Å; Y434-L458 HydrophobicContact CD2-CD1 4.42Å; Y434-L458 HydrophobicContact CG-CB 4.21Å; Y434-L458 HydrophobicContact CG-CD1 4.04Å; Y434-L458 HydrophobicContact CG-CG 4.35Å |
| 435 | F | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.4 | 172.8 | 174.3 | -93.7 | 0 | 0 | 0 | 110.3 | P398 A404 G405 R406 V407 L425 L432 R433 V455 F463 Y465 | P398-F435 WeakPolarHBondContact CA-O 3.39Å; A404-F435 VanDerWaalsContact O-CB 3.27Å; A404-F435 WeakPolarHBondContact O-CB 3.36Å; A404-F435 PolarHBondContact O-N 2.8Å; G405-F435 CarbonylContact C-O 3.59Å; G405-F435 VanDerWaalsContact C-O 3.29Å; G405-F435 VanDerWaalsContact CA-O 3.27Å; G405-F435 WeakPolarHBondContact CA-O 3.39Å; R406-F435 PolarHBondContact N-O 3Å; V407-F435 HydrophobicContact CB-CE1 4.37Å; V407-F435 HydrophobicContact CG2-CD1 4.25Å; V407-F435 HydrophobicContact CG2-CE1 3.88Å; L425-F435 HydrophobicContact CB-CE1 3.87Å; L425-F435 HydrophobicContact CB-CZ 4.07Å; L432-F435 HydrophobicContact CB-CB 4.39Å; L432-F435 HydrophobicContact CD1-CB 4.08Å; L432-F435 HydrophobicContact CD1-CD2 3.55Å; L432-F435 HydrophobicContact CD1-CE2 4.39Å; L432-F435 HydrophobicContact CD1-CG 4.17Å; R433-F435 PolarHBondContact O-N 3.02Å; F435-V455 HydrophobicContact CD1-CG1 4.15Å; F435-V455 HydrophobicContact CD2-CB 4.46Å; F435-V455 HydrophobicContact CD2-CG1 3.75Å; F435-V455 HydrophobicContact CE1-CG1 3.89Å; F435-V455 HydrophobicContact CE2-CB 3.77Å; F435-V455 HydrophobicContact CE2-CG1 3.47Å; F435-V455 VanDerWaalsContact CE2-CG1 3.47Å; F435-V455 HydrophobicContact CE2-CG2 4.48Å; F435-V455 HydrophobicContact CG-CG1 4.1Å; F435-V455 HydrophobicContact CZ-CB 3.86Å; F435-V455 HydrophobicContact CZ-CG1 3.55Å; F435-V455 HydrophobicContact CZ-CG2 4.09Å; F435-F463 HydrophobicContact CD2-CD2 4.33Å; F435-F463 HydrophobicContact CE2-CB 4.25Å; F435-F463 HydrophobicContact CE2-CD2 4.22Å; F435-F463 HydrophobicContact CE2-CG 4.28Å; F435-Y465 AromaticContact CE2-CE2 3.98Å; F435-Y465 HydrophobicContact CE2-CE2 3.98Å; F435-Y465 WeakPolarHBondContact CE2-OH 3.15Å; F435-Y465 AromaticContact CZ-CE2 3.7Å; F435-Y465 HydrophobicContact CZ-CE2 3.7Å; F435-Y465 AromaticContact CZ-CZ 3.8Å; F435-Y465 VanDerWaalsContact CZ-OH 3.27Å; F435-Y465 WeakPolarHBondContact CZ-OH 3.28Å |
| 436 | G | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.9 | 26.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.3 | G396 V407 G456 | G396-G436 VanDerWaalsContact CA-O 3.28Å; G396-G436 WeakPolarHBondContact CA-O 3.43Å; V407-G436 VanDerWaalsContact CG2-CA 3.46Å; G436-G456 PolarHBondContact N-O 3.04Å |
| 437 | Y | 98 | Very high | 91.9 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -31.2 | 169.5 | -170.7 | -90.1 | 0 | 0 | 0 | 112.2 | L51 L377 P398 Y434 G456 L458 | L51-Y437 HydrophobicContact CD1-CE1 4.4Å; L51-Y437 HydrophobicContact CG-CD1 4.44Å; L51-Y437 HydrophobicContact CG-CE1 3.99Å; L377-Y437 HydrophobicContact CD1-CD2 4.19Å; L377-Y437 HydrophobicContact CD1-CE2 3.87Å; L377-Y437 HydrophobicContact CD2-CD1 4.49Å; L377-Y437 HydrophobicContact CD2-CD2 3.66Å; L377-Y437 HydrophobicContact CD2-CE2 3.78Å; L377-Y437 HydrophobicContact CD2-CG 4.04Å; L377-Y437 VanDerWaalsContact CD2-O 3.23Å; L377-Y437 WeakPolarHBondContact CD2-O 3.25Å; L377-Y437 HydrophobicContact CG-CE2 4.48Å; P398-Y437 HydrophobicContact CB-CD2 4.46Å; P398-Y437 HydrophobicContact CG-CD2 4.29Å; Y434-Y437 WeakPolarHBondContact O-CB 3.35Å; Y434-Y437 PolarHBondContact O-N 2.97Å; Y437-G456 PolarHBondContact N-O 3.16Å; Y437-L458 HydrophobicContact CD1-CD1 4.36Å; Y437-L458 HydrophobicContact CD1-CD2 3.67Å; Y437-L458 HydrophobicContact CD1-CG 4.08Å; Y437-L458 HydrophobicContact CD2-CD1 3.68Å; Y437-L458 HydrophobicContact CD2-CD2 4.44Å; Y437-L458 HydrophobicContact CD2-CG 4Å; Y437-L458 HydrophobicContact CE1-CD1 4.47Å; Y437-L458 HydrophobicContact CE1-CD2 4.01Å; Y437-L458 HydrophobicContact CE2-CD1 3.81Å; Y437-L458 HydrophobicContact CG-CD1 3.98Å; Y437-L458 HydrophobicContact CG-CD2 3.91Å; Y437-L458 HydrophobicContact CG-CG 3.77Å |
| 438 | S | 98.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157 | 174.5 | 67.3 | 0 | 0 | 0 | 0 | 109.7 | G50 L51 L53 G456 | G50-S438 PolarHBondContact O-OG 2.85Å; L51-S438 VanDerWaalsContact O-CB 3.31Å; L51-S438 WeakPolarHBondContact O-CB 3.4Å; L53-S438 WeakPolarHBondContact CD1-OG 2.98Å; S438-G456 PolarHBondContact O-N 2.89Å; S438-G456 WeakPolarHBondContact OG-CA 3.26Å |
| 439 | L | 98.5 | Very high | 91.9 | Very high | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152 | -175.7 | -60.8 | 171.6 | 0 | 0 | 0 | 108.5 | A378 E380 A394 V407 L453 V454 V455 | A378-L439 HydrophobicContact CB-CD1 3.89Å; A378-L439 HydrophobicContact CB-CG 4.02Å; E380-L439 HydrophobicContact CB-CB 3.6Å; E380-L439 HydrophobicContact CB-CD1 3.92Å; E380-L439 HydrophobicContact CB-CG 4.42Å; E380-L439 HydrophobicContact CG-CB 4.02Å; A394-L439 HydrophobicContact CB-CD1 3.88Å; A394-L439 HydrophobicContact CB-CD2 4.49Å; V407-L439 HydrophobicContact CG1-CD2 3.85Å; V407-L439 HydrophobicContact CG2-CD2 3.8Å; L439-L453 HydrophobicContact CD2-CD1 4.39Å; L439-V454 WeakPolarHBondContact CA-O 3.26Å; L439-V455 HydrophobicContact CD2-CB 4.47Å; L439-V455 HydrophobicContact CD2-CG1 4.23Å; L439-V455 HydrophobicContact CD2-CG2 4.02Å |
| 440 | A | 97.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 132.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L53 L55 E380 V454 | L53-A440 HydrophobicContact CB-CB 3.84Å; L55-A440 HydrophobicContact CD1-CB 4.42Å; L55-A440 HydrophobicContact CG-CB 4.09Å; E380-A440 WeakPolarHBondContact OE1-CA 3.41Å; A440-V454 PolarHBondContact N-O 2.88Å; A440-V454 PolarHBondContact O-N 2.93Å |
| 441 | G | 95.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | -154.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E380 M443 D452 | E380-G441 PolarHBondContact OE1-N 2.89Å; G441-M443 VanDerWaalsContact C-N 3.27Å; G441-M443 PolarHBondContact O-N 2.88Å; G441-D452 WeakPolarHBondContact CA-O 3.32Å |
| 442 | N | 94.9 | Very high | 94 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 29.9 | 174.2 | -159.5 | 18.1 | 0 | 0 | 0 | 114.9 | I382 G383 | I382-N442 WeakPolarHBondContact O-CA 3.16Å; I382-N442 PolarHBondContact O-N 2.83Å; G383-N442 WeakPolarHBondContact CA-OD1 3.35Å |
| 443 | M | 94.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 36 Ų | 36 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.4 | 172.8 | -172 | 178.3 | -66.1 | 0 | 0 | 110.5 | L55 Q57 V64 P128 G441 L445 D452 | L55-M443 HydrophobicContact CB-CB 4.14Å; L55-M443 HydrophobicContact CB-CE 4.1Å; L55-M443 HydrophobicContact CB-SD 3.89Å; L55-M443 HydrophobicContact CD1-CB 4Å; Q57-M443 HydrophobicContact CB-SD 4.28Å; V64-M443 HydrophobicContact CG1-SD 4.28Å; P128-M443 HydrophobicContact CG-CE 4.46Å; G441-M443 VanDerWaalsContact C-N 3.27Å; G441-M443 PolarHBondContact O-N 2.88Å; M443-L445 HydrophobicContact CB-CD2 4.24Å; M443-L445 HydrophobicContact CG-CD2 4.02Å; M443-L445 HydrophobicContact SD-CD2 4.18Å; M443-D452 PolarHBondContact O-N 2.76Å |
| 444 | D | 93.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | trans | -78.4 | 124.3 | 172.3 | 173.9 | 5.8 | 0 | 0 | 0 | 109.6 | D446 G447 N448 S449 Y450 | D444-D446 PolarHBondContact OD1-N 3.24Å; D444-G447 WeakPolarHBondContact OD1-CA 3.48Å; D444-G447 PolarHBondContact OD1-N 2.85Å; D444-G447 VanDerWaalsContact OD2-C 3.23Å; D444-G447 VanDerWaalsContact OD2-CA 3.25Å; D444-G447 WeakPolarHBondContact OD2-CA 3.18Å; D444-N448 PolarHBondContact OD1-N 2.91Å; D444-N448 PolarHBondContact OD2-N 2.97Å; D444-N448 VanDerWaalsContact OD2-N 3.13Å; D444-S449 VanDerWaalsContact OD2-CA 3.3Å; D444-S449 WeakPolarHBondContact OD2-CA 3.37Å; D444-S449 PolarHBondContact OD2-N 3.02Å; D444-Y450 WeakPolarHBondContact CB-O 3.43Å | ||
| 445 | L | 92.1 | Very high | 95 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -109 | -8.2 | -173.5 | -47.1 | 175 | 0 | 0 | 0 | 113.7 | L55 V64 I92 M443 D452 V454 I464 | L55-L445 HydrophobicContact CD1-CD1 4.39Å; L55-L445 HydrophobicContact CD1-CD2 4.19Å; L55-L445 HydrophobicContact CD2-CD1 3.96Å; L55-L445 HydrophobicContact CD2-CD2 3.88Å; L55-L445 HydrophobicContact CG-CD2 4.45Å; V64-L445 HydrophobicContact CG1-CB 4.35Å; V64-L445 HydrophobicContact CG1-CD2 3.4Å; V64-L445 HydrophobicContact CG1-CG 4.48Å; I92-L445 HydrophobicContact CD1-CD1 4.36Å; I92-L445 HydrophobicContact CG1-CB 4.25Å; I92-L445 HydrophobicContact CG2-CB 4.07Å; M443-L445 HydrophobicContact CB-CD2 4.24Å; M443-L445 HydrophobicContact CG-CD2 4.02Å; M443-L445 HydrophobicContact SD-CD2 4.18Å; L445-D452 WeakPolarHBondContact CA-OD2 3.43Å; L445-D452 HydrophobicContact CB-CB 4.46Å; L445-D452 WeakPolarHBondContact CB-OD2 3.36Å; L445-D452 HydrophobicContact CD1-CB 3.83Å; L445-D452 HydrophobicContact CG-CB 3.9Å; L445-D452 WeakPolarHBondContact CG-OD2 3.23Å; L445-D452 PolarHBondContact N-OD2 2.88Å; L445-V454 HydrophobicContact CD1-CG2 4.12Å; L445-I464 HydrophobicContact CD1-CG2 3.76Å |
| 446 | D | 89.3 | Confident | 95 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 27% | 0.267 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -125.8 | -0.4 | 176.6 | 88.8 | 3.9 | 0 | 0 | 0 | 115.8 | D444 N448 R466 L600 | D444-D446 PolarHBondContact OD1-N 3.24Å; D446-N448 VanDerWaalsContact OD1-CB 3.26Å; D446-N448 WeakPolarHBondContact OD1-CB 3.43Å; D446-N448 PolarHBondContact OD1-N 2.85Å; D446-N448 PolarHBondContact OD1-ND2 2.92Å; D446-R466 WeakPolarHBondContact OD2-CD 3.48Å; D446-R466 IonicContact OD2-CZ 3.49Å; D446-R466 IonicContact OD2-NE 3.41Å; D446-R466 IonicContact OD2-NH1 2.84Å; D446-R466 PolarHBondContact OD2-NH1 2.98Å; D446-L600 HydrophobicContact CB-CD1 3.67Å |
| 447 | G | 88.7 | Confident | 94.9 | Very high | 61 Ų | 61 | 23.7 Ų | 23.7 | 63% | 0.629 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 86.5 | 21.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | D444 | D444-G447 WeakPolarHBondContact OD1-CA 3.48Å; D444-G447 PolarHBondContact OD1-N 2.85Å; D444-G447 VanDerWaalsContact OD2-C 3.23Å; D444-G447 VanDerWaalsContact OD2-CA 3.25Å; D444-G447 WeakPolarHBondContact OD2-CA 3.18Å |
| 448 | N | 88.3 | Confident | 94.7 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -87.9 | -4.3 | -178.4 | 77.9 | 65 | 0 | 0 | 0 | 114.6 | D444 D446 Y450 A467 P469 | D444-N448 PolarHBondContact OD1-N 2.91Å; D444-N448 PolarHBondContact OD2-N 2.97Å; D444-N448 VanDerWaalsContact OD2-N 3.13Å; D446-N448 VanDerWaalsContact OD1-CB 3.26Å; D446-N448 WeakPolarHBondContact OD1-CB 3.43Å; D446-N448 PolarHBondContact OD1-N 2.85Å; D446-N448 PolarHBondContact OD1-ND2 2.92Å; N448-Y450 WeakPolarHBondContact O-CD2 3.13Å; N448-Y450 VanDerWaalsContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CD2 3.29Å; N448-Y450 PolarHBondContact OD1-N 3.39Å; N448-Y450 VanDerWaalsContact OD1-N 3.12Å; N448-A467 PolarHBondContact ND2-O 3.44Å; N448-P469 HydrophobicContact CB-CG 4.49Å |
| 449 | S | 91 | Very high | 94.5 | Very high | 67 Ų | 67 | 24.2 Ų | 24.2 | 47% | 0.469 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 69.4 | 27.3 | -177.5 | -45.7 | 0 | 0 | 0 | 0 | 115.9 | D444 | D444-S449 VanDerWaalsContact OD2-CA 3.3Å; D444-S449 WeakPolarHBondContact OD2-CA 3.37Å; D444-S449 PolarHBondContact OD2-N 3.02Å |
| 450 | Y | 93.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -124.1 | 139.2 | 166.2 | -64.6 | -112.9 | 0 | 0 | 0 | 107.8 | V385 Q387 D444 N448 P469 V470 | V385-Y450 WeakPolarHBondContact O-CD1 3.1Å; Q387-Y450 HydrophobicContact CB-CD1 4.02Å; Q387-Y450 HydrophobicContact CB-CE1 3.5Å; Q387-Y450 VanDerWaalsContact CB-CE1 3.5Å; Q387-Y450 HydrophobicContact CG-CD1 3.39Å; Q387-Y450 HydrophobicContact CG-CD2 4.4Å; Q387-Y450 HydrophobicContact CG-CE1 3.35Å; Q387-Y450 HydrophobicContact CG-CE2 4.36Å; Q387-Y450 HydrophobicContact CG-CG 3.93Å; D444-Y450 WeakPolarHBondContact CB-O 3.43Å; N448-Y450 WeakPolarHBondContact O-CD2 3.13Å; N448-Y450 VanDerWaalsContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CD2 3.29Å; N448-Y450 PolarHBondContact OD1-N 3.39Å; N448-Y450 VanDerWaalsContact OD1-N 3.12Å; Y450-P469 HydrophobicContact CD2-CB 4.4Å; Y450-P469 HydrophobicContact CD2-CG 4.35Å; Y450-P469 HydrophobicContact CE2-CB 3.75Å; Y450-P469 HydrophobicContact CE2-CG 4.15Å; Y450-V470 HydrophobicContact CE1-CB 4.13Å; Y450-V470 HydrophobicContact CE1-CG2 3.95Å; Y450-V470 PolarHBondContact OH-N 2.83Å; Y450-V470 VanDerWaalsContact OH-N 3.16Å; Y450-V470 PolarHBondContact OH-O 3.09Å |
| 451 | P | 95.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | trans | -70.6 | 137 | 177.1 | 28.9 | -34.1 | 0 | 0 | 0 | 111 | I382 D384 V385 A467 | I382-P451 WeakPolarHBondContact O-CB 3.09Å; I382-P451 WeakPolarHBondContact O-CG 3.21Å; D384-P451 WeakPolarHBondContact O-CD 3.46Å; V385-P451 HydrophobicContact CB-CG 4.09Å; V385-P451 WeakPolarHBondContact CG2-O 3.39Å; P451-A467 WeakPolarHBondContact O-CB 3Å | ||
| 452 | D | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 170.3 | 178.1 | -61.6 | -42 | 0 | 0 | 0 | 111.4 | G441 M443 L445 R466 A467 | G441-D452 WeakPolarHBondContact CA-O 3.32Å; M443-D452 PolarHBondContact O-N 2.76Å; L445-D452 WeakPolarHBondContact CA-OD2 3.43Å; L445-D452 HydrophobicContact CB-CB 4.46Å; L445-D452 WeakPolarHBondContact CB-OD2 3.36Å; L445-D452 HydrophobicContact CD1-CB 3.83Å; L445-D452 HydrophobicContact CG-CB 3.9Å; L445-D452 WeakPolarHBondContact CG-OD2 3.23Å; L445-D452 PolarHBondContact N-OD2 2.88Å; D452-R466 WeakPolarHBondContact OD1-CA 2.97Å; D452-A467 PolarHBondContact OD1-N 3.29Å |
| 453 | L | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.6 | 177.4 | 175.3 | 59.9 | 0 | 0 | 0 | 111.3 | L33 I382 A394 V407 I409 L425 L439 V455 Y465 | L33-L453 HydrophobicContact CD1-CB 4.18Å; L33-L453 HydrophobicContact CD1-CD2 3.91Å; L33-L453 HydrophobicContact CD2-CB 4.32Å; I382-L453 HydrophobicContact CG2-CD1 3.87Å; A394-L453 HydrophobicContact CB-CD1 4.2Å; A394-L453 HydrophobicContact CB-CD2 4.01Å; V407-L453 HydrophobicContact CG1-CD2 4.34Å; I409-L453 HydrophobicContact CD1-CD2 3.52Å; L425-L453 HydrophobicContact CD1-CD2 4.09Å; L439-L453 HydrophobicContact CD2-CD1 4.39Å; L453-V455 HydrophobicContact CD2-CG2 4.17Å; L453-V455 HydrophobicContact CG-CG2 4.04Å; L453-Y465 PolarHBondContact N-O 2.9Å; L453-Y465 PolarHBondContact O-N 3.34Å |
| 454 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 168.1 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | L53 L55 L66 L439 A440 L445 A462 F463 I464 | L53-V454 HydrophobicContact CD1-CB 4.31Å; L53-V454 HydrophobicContact CD1-CG1 3.85Å; L53-V454 HydrophobicContact CD2-CG1 4.47Å; L55-V454 HydrophobicContact CD2-CG2 3.82Å; L66-V454 HydrophobicContact CD1-CB 4.32Å; L66-V454 HydrophobicContact CD1-CG1 3.91Å; L66-V454 HydrophobicContact CD1-CG2 4.17Å; L66-V454 HydrophobicContact CD2-CG1 3.73Å; L66-V454 HydrophobicContact CD2-CG2 4.37Å; L66-V454 HydrophobicContact CG-CG1 4.5Å; L439-V454 WeakPolarHBondContact CA-O 3.26Å; A440-V454 PolarHBondContact N-O 2.88Å; A440-V454 PolarHBondContact O-N 2.93Å; L445-V454 HydrophobicContact CD1-CG2 4.12Å; V454-A462 HydrophobicContact CG1-CB 4.27Å; V454-F463 CarbonylContact C-O 3.48Å; V454-F463 VanDerWaalsContact CA-O 3.31Å; V454-F463 WeakPolarHBondContact CA-O 3.42Å; V454-I464 HydrophobicContact CG1-CG1 4.31Å; V454-I464 HydrophobicContact CG2-CB 4.35Å; V454-I464 HydrophobicContact CG2-CG1 4Å; V454-I464 HydrophobicContact CG2-CG2 4.15Å |
| 455 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.4 | 180 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | V407 L425 F435 L439 L453 A462 F463 Y465 | V407-V455 HydrophobicContact CG2-CB 4.46Å; V407-V455 HydrophobicContact CG2-CG1 3.56Å; V407-V455 HydrophobicContact CG2-CG2 4Å; L425-V455 HydrophobicContact CD1-CG2 4.29Å; F435-V455 HydrophobicContact CD1-CG1 4.15Å; F435-V455 HydrophobicContact CD2-CB 4.46Å; F435-V455 HydrophobicContact CD2-CG1 3.75Å; F435-V455 HydrophobicContact CE1-CG1 3.89Å; F435-V455 HydrophobicContact CE2-CB 3.77Å; F435-V455 HydrophobicContact CE2-CG1 3.47Å; F435-V455 VanDerWaalsContact CE2-CG1 3.47Å; F435-V455 HydrophobicContact CE2-CG2 4.48Å; F435-V455 HydrophobicContact CG-CG1 4.1Å; F435-V455 HydrophobicContact CZ-CB 3.86Å; F435-V455 HydrophobicContact CZ-CG1 3.55Å; F435-V455 HydrophobicContact CZ-CG2 4.09Å; L439-V455 HydrophobicContact CD2-CB 4.47Å; L439-V455 HydrophobicContact CD2-CG1 4.23Å; L439-V455 HydrophobicContact CD2-CG2 4.02Å; L453-V455 HydrophobicContact CD2-CG2 4.17Å; L453-V455 HydrophobicContact CG-CG2 4.04Å; V455-A462 CarbonylContact O-C 3.55Å; V455-A462 WeakPolarHBondContact O-CA 3.49Å; V455-F463 PolarHBondContact N-O 3.4Å; V455-F463 PolarHBondContact O-N 3.17Å; V455-Y465 HydrophobicContact CB-CE2 4.25Å; V455-Y465 HydrophobicContact CG2-CD2 3.99Å; V455-Y465 HydrophobicContact CG2-CE2 3.98Å |
| 456 | G | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 156.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G436 Y437 S438 | G436-G456 PolarHBondContact N-O 3.04Å; Y437-G456 PolarHBondContact N-O 3.16Å; S438-G456 PolarHBondContact O-N 2.89Å; S438-G456 WeakPolarHBondContact OG-CA 3.26Å |
| 457 | S | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 137.6 | 177.2 | 168.3 | 0 | 0 | 0 | 0 | 110.1 | R433 Y434 S459 A461 | R433-S457 PolarHBondContact O-OG 3.32Å; Y434-S457 WeakPolarHBondContact O-CA 3.27Å; S457-S459 PolarHBondContact O-N 2.7Å; S457-S459 VanDerWaalsContact OG-CB 3.32Å; S457-S459 WeakPolarHBondContact OG-CB 3.22Å; S457-S459 PolarHBondContact OG-N 3.17Å; S457-S459 VanDerWaalsContact OG-N 3.1Å; S457-S459 PolarHBondContact OG-OG 3.09Å; S457-A461 PolarHBondContact N-O 3.13Å |
| 458 | L | 94.1 | Very high | 95 | Very high | 40 Ų | 40 | 12.8 Ų | 12.8 | 21% | 0.209 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 11.5 | 171.4 | -55.9 | -177.7 | 0 | 0 | 0 | 113.6 | L51 Y434 Y437 D460 | L51-L458 HydrophobicContact CB-CD2 4.02Å; L51-L458 HydrophobicContact CD1-CD2 3.96Å; L51-L458 HydrophobicContact CG-CD2 4.11Å; Y434-L458 HydrophobicContact CD1-CD1 4.28Å; Y434-L458 HydrophobicContact CD2-CB 4.17Å; Y434-L458 HydrophobicContact CD2-CD1 4.42Å; Y434-L458 HydrophobicContact CG-CB 4.21Å; Y434-L458 HydrophobicContact CG-CD1 4.04Å; Y434-L458 HydrophobicContact CG-CG 4.35Å; Y437-L458 HydrophobicContact CD1-CD1 4.36Å; Y437-L458 HydrophobicContact CD1-CD2 3.67Å; Y437-L458 HydrophobicContact CD1-CG 4.08Å; Y437-L458 HydrophobicContact CD2-CD1 3.68Å; Y437-L458 HydrophobicContact CD2-CD2 4.44Å; Y437-L458 HydrophobicContact CD2-CG 4Å; Y437-L458 HydrophobicContact CE1-CD1 4.47Å; Y437-L458 HydrophobicContact CE1-CD2 4.01Å; Y437-L458 HydrophobicContact CE2-CD1 3.81Å; Y437-L458 HydrophobicContact CG-CD1 3.98Å; Y437-L458 HydrophobicContact CG-CD2 3.91Å; Y437-L458 HydrophobicContact CG-CG 3.77Å; L458-D460 VanDerWaalsContact C-N 3.28Å |
| 459 | S | 93.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 11.9 Ų | 11.9 | 29% | 0.287 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 35.2 | 170 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | R433 S457 A461 | R433-S459 PolarHBondContact N-OG 2.86Å; R433-S459 PolarHBondContact O-OG 2.64Å; S457-S459 PolarHBondContact O-N 2.7Å; S457-S459 VanDerWaalsContact OG-CB 3.32Å; S457-S459 WeakPolarHBondContact OG-CB 3.22Å; S457-S459 PolarHBondContact OG-N 3.17Å; S457-S459 VanDerWaalsContact OG-N 3.1Å; S457-S459 PolarHBondContact OG-OG 3.09Å; S459-A461 PolarHBondContact O-N 3.43Å |
| 460 | D | 95.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 9.8 Ų | 9.8 | 12% | 0.123 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 44.5 | 179.9 | -52.5 | -68.2 | 0 | 0 | 0 | 113.7 | G42 G43 E44 P45 G46 S47 L48 F49 L458 | G42-D460 WeakPolarHBondContact CA-O 3.42Å; G43-D460 PolarHBondContact N-O 3.46Å; E44-D460 VanDerWaalsContact O-CG 3.28Å; P45-D460 WeakPolarHBondContact CA-OD2 3.45Å; G46-D460 VanDerWaalsContact N-CG 3.32Å; G46-D460 PolarHBondContact N-OD1 2.98Å; G46-D460 PolarHBondContact N-OD2 2.81Å; S47-D460 PolarHBondContact N-OD1 3.12Å; S47-D460 PolarHBondContact OG-OD1 3.46Å; L48-D460 WeakPolarHBondContact CA-OD1 3.35Å; L48-D460 PolarHBondContact N-OD1 2.83Å; F49-D460 HydrophobicContact CB-CB 4.34Å; F49-D460 PolarHBondContact N-OD1 2.62Å; F49-D460 CarbonylContact O-C 3.5Å; F49-D460 VanDerWaalsContact O-C 3.28Å; F49-D460 VanDerWaalsContact O-CA 3.29Å; F49-D460 WeakPolarHBondContact O-CA 3.39Å; L458-D460 VanDerWaalsContact C-N 3.28Å |
| 461 | A | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K41 F49 S457 S459 F463 | K41-A461 CarbonylContact O-C 3.59Å; K41-A461 VanDerWaalsContact O-CA 3.26Å; K41-A461 WeakPolarHBondContact O-CA 3.46Å; F49-A461 PolarHBondContact O-N 3.1Å; S457-A461 PolarHBondContact N-O 3.13Å; S459-A461 PolarHBondContact O-N 3.43Å; A461-F463 HydrophobicContact CB-CE2 3.64Å; A461-F463 HydrophobicContact CB-CZ 4.24Å |
| 462 | A | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K41 L53 I68 V454 V455 | K41-A462 PolarHBondContact N-O 3.28Å; K41-A462 PolarHBondContact O-N 2.74Å; L53-A462 HydrophobicContact CD2-CB 3.91Å; I68-A462 HydrophobicContact CD1-CB 3.78Å; V454-A462 HydrophobicContact CG1-CB 4.27Å; V455-A462 CarbonylContact O-C 3.55Å; V455-A462 WeakPolarHBondContact O-CA 3.49Å |
| 463 | F | 95.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.4 | -171.5 | -69.4 | -97.7 | 0 | 0 | 0 | 110.7 | V38 I39 R40 H430 L432 F435 V454 V455 A461 Y465 | V38-F463 HydrophobicContact CG1-CB 4.03Å; V38-F463 HydrophobicContact CG1-CD1 3.98Å; I39-F463 WeakPolarHBondContact O-CA 3.2Å; R40-F463 HydrophobicContact CB-CD1 4.13Å; R40-F463 HydrophobicContact CB-CE1 3.84Å; R40-F463 HydrophobicContact CB-CZ 4.38Å; R40-F463 HydrophobicContact CG-CD1 4.26Å; R40-F463 HydrophobicContact CG-CE1 3.67Å; R40-F463 HydrophobicContact CG-CE2 4.33Å; R40-F463 HydrophobicContact CG-CZ 3.69Å; H430-F463 HydrophobicContact CB-CE1 4.11Å; H430-F463 HydrophobicContact CB-CZ 4.16Å; H430-F463 AromaticContact CD2-CD1 3.88Å; H430-F463 AromaticContact CD2-CE1 3.72Å; H430-F463 AromaticContact CG-CE1 3.76Å; L432-F463 HydrophobicContact CD1-CD2 4.02Å; L432-F463 HydrophobicContact CD1-CE1 4.42Å; L432-F463 HydrophobicContact CD1-CE2 3.34Å; L432-F463 HydrophobicContact CD1-CZ 3.59Å; L432-F463 HydrophobicContact CD2-CE2 3.85Å; L432-F463 HydrophobicContact CD2-CZ 3.87Å; L432-F463 HydrophobicContact CG-CE2 4.19Å; L432-F463 HydrophobicContact CG-CZ 4.18Å; F435-F463 HydrophobicContact CD2-CD2 4.33Å; F435-F463 HydrophobicContact CE2-CB 4.25Å; F435-F463 HydrophobicContact CE2-CD2 4.22Å; F435-F463 HydrophobicContact CE2-CG 4.28Å; V454-F463 CarbonylContact C-O 3.48Å; V454-F463 VanDerWaalsContact CA-O 3.31Å; V454-F463 WeakPolarHBondContact CA-O 3.42Å; V455-F463 PolarHBondContact N-O 3.4Å; V455-F463 PolarHBondContact O-N 3.17Å; A461-F463 HydrophobicContact CB-CE2 3.64Å; A461-F463 HydrophobicContact CB-CZ 4.24Å; F463-Y465 HydrophobicContact CB-CD2 4.36Å; F463-Y465 HydrophobicContact CB-CE2 3.63Å |
| 464 | I | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.7 | 179.7 | -47.2 | 173.1 | 0 | 0 | 0 | 108.6 | I39 L66 I92 L445 V454 R466 | I39-I464 HydrophobicContact CB-CB 4.13Å; I39-I464 HydrophobicContact CB-CD1 4.26Å; I39-I464 HydrophobicContact CB-CG1 4.44Å; I39-I464 HydrophobicContact CG2-CD1 4.3Å; I39-I464 PolarHBondContact N-O 2.84Å; I39-I464 VanDerWaalsContact N-O 3.15Å; I39-I464 PolarHBondContact O-N 3.45Å; L66-I464 HydrophobicContact CD2-CD1 3.96Å; L66-I464 HydrophobicContact CD2-CG1 3.97Å; I92-I464 HydrophobicContact CD1-CD1 4.05Å; I92-I464 HydrophobicContact CG2-CD1 4.44Å; L445-I464 HydrophobicContact CD1-CG2 3.76Å; V454-I464 HydrophobicContact CG1-CG1 4.31Å; V454-I464 HydrophobicContact CG2-CB 4.35Å; V454-I464 HydrophobicContact CG2-CG1 4Å; V454-I464 HydrophobicContact CG2-CG2 4.15Å; I464-R466 HydrophobicContact CG2-CG 4.24Å |
| 465 | Y | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.7 | 173 | -65.8 | -90.9 | 0 | 0 | 0 | 108.5 | T35 V38 L425 H430 F435 L453 V455 F463 | T35-Y465 HydrophobicContact CG2-CE1 4.49Å; V38-Y465 HydrophobicContact CB-CE1 4.24Å; V38-Y465 HydrophobicContact CG1-CD1 4.02Å; V38-Y465 HydrophobicContact CG1-CD2 4.32Å; V38-Y465 HydrophobicContact CG1-CE1 3.7Å; V38-Y465 HydrophobicContact CG1-CE2 4.02Å; V38-Y465 HydrophobicContact CG1-CG 4.3Å; V38-Y465 HydrophobicContact CG2-CD1 3.71Å; V38-Y465 HydrophobicContact CG2-CE1 3.42Å; V38-Y465 VanDerWaalsContact CG2-CE1 3.42Å; L425-Y465 HydrophobicContact CD1-CD1 4.06Å; L425-Y465 HydrophobicContact CD1-CD2 3.81Å; L425-Y465 HydrophobicContact CD1-CE1 4.25Å; L425-Y465 HydrophobicContact CD1-CE2 4.01Å; L425-Y465 HydrophobicContact CD1-CG 3.85Å; L425-Y465 HydrophobicContact CD2-CD1 3.97Å; L425-Y465 HydrophobicContact CD2-CE1 4.02Å; H430-Y465 PolarHBondContact NE2-OH 3.22Å; F435-Y465 AromaticContact CE2-CE2 3.98Å; F435-Y465 HydrophobicContact CE2-CE2 3.98Å; F435-Y465 WeakPolarHBondContact CE2-OH 3.15Å; F435-Y465 AromaticContact CZ-CE2 3.7Å; F435-Y465 HydrophobicContact CZ-CE2 3.7Å; F435-Y465 AromaticContact CZ-CZ 3.8Å; F435-Y465 VanDerWaalsContact CZ-OH 3.27Å; F435-Y465 WeakPolarHBondContact CZ-OH 3.28Å; L453-Y465 PolarHBondContact N-O 2.9Å; L453-Y465 PolarHBondContact O-N 3.34Å; V455-Y465 HydrophobicContact CB-CE2 4.25Å; V455-Y465 HydrophobicContact CG2-CD2 3.99Å; V455-Y465 HydrophobicContact CG2-CE2 3.98Å; F463-Y465 HydrophobicContact CB-CD2 4.36Å; F463-Y465 HydrophobicContact CB-CE2 3.63Å |
| 466 | R | 94.7 | Very high | 94 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 137.5 | -179.7 | -66.7 | -179.8 | -70.9 | 137.3 | -0.7 | 111.9 | D34 D446 D452 I464 S601 L603 | D34-R466 PolarHBondContact N-O 3.43Å; D446-R466 WeakPolarHBondContact OD2-CD 3.48Å; D446-R466 IonicContact OD2-CZ 3.49Å; D446-R466 IonicContact OD2-NE 3.41Å; D446-R466 IonicContact OD2-NH1 2.84Å; D446-R466 PolarHBondContact OD2-NH1 2.98Å; D452-R466 WeakPolarHBondContact OD1-CA 2.97Å; I464-R466 HydrophobicContact CG2-CG 4.24Å; R466-S601 PolarHBondContact NH1-O 3.08Å; R466-S601 PolarHBondContact NH2-O 3.49Å; R466-S601 PolarHBondContact NH2-OG 3.21Å; R466-L603 HydrophobicContact CB-CD1 3.69Å |
| 467 | A | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -76 | 130.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L33 V385 N448 P451 D452 L603 | L33-A467 HydrophobicContact CD2-CB 4.09Å; V385-A467 HydrophobicContact CG2-CB 3.89Å; N448-A467 PolarHBondContact ND2-O 3.44Å; P451-A467 WeakPolarHBondContact O-CB 3Å; D452-A467 PolarHBondContact OD1-N 3.29Å; A467-L603 WeakPolarHBondContact O-CD1 3.14Å |
| 468 | R | 92.7 | Very high | 93.8 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -88.7 | 136.3 | 179 | -64.1 | 166.7 | 52.6 | -139 | -4.9 | 110.4 | N32 D34 V470 L603 M604 P605 | N32-R468 HydrophobicContact CB-CB 4.35Å; N32-R468 WeakPolarHBondContact CB-O 3.23Å; N32-R468 PolarHBondContact ND2-O 3.44Å; N32-R468 WeakPolarHBondContact O-CB 3.37Å; N32-R468 VanDerWaalsContact O-CD 3.27Å; N32-R468 WeakPolarHBondContact O-CD 3.01Å; N32-R468 WeakPolarHBondContact O-CG 3.19Å; N32-R468 PolarHBondContact O-N 3.12Å; D34-R468 HydrophobicContact CB-CG 3.88Å; R468-V470 PolarHBondContact O-N 2.83Å; R468-L603 HydrophobicContact CG-CB 4.21Å; R468-L603 HydrophobicContact CG-CD1 4.07Å; R468-M604 PolarHBondContact NE-O 3.19Å; R468-M604 PolarHBondContact NH2-O 3.25Å; R468-P605 PolarHBondContact NH2-O 3.02Å |
| 469 | P | 92 | Very high | 93.6 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 129.2 | 177.7 | -28.5 | 35.8 | 0 | 0 | 0 | 113.1 | N448 Y450 Y509 P605 V606 | N448-P469 HydrophobicContact CB-CG 4.49Å; Y450-P469 HydrophobicContact CD2-CB 4.4Å; Y450-P469 HydrophobicContact CD2-CG 4.35Å; Y450-P469 HydrophobicContact CE2-CB 3.75Å; Y450-P469 HydrophobicContact CE2-CG 4.15Å; P469-Y509 HydrophobicContact CB-CD2 3.77Å; P469-Y509 HydrophobicContact CB-CG 4.25Å; P469-Y509 HydrophobicContact CG-CD2 4.13Å; P469-P605 HydrophobicContact CB-CB 4.47Å; P469-P605 CarbonylContact O-C 3.58Å; P469-P605 WeakPolarHBondContact O-CA 3.26Å; P469-P605 WeakPolarHBondContact O-CB 3.44Å; P469-V606 PolarHBondContact O-N 3.21Å |
| 470 | V | 91.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.7 | -175.9 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | N32 N386 Y450 R468 A506 V606 D608 | N32-V470 HydrophobicContact CB-CG2 3.93Å; N386-V470 WeakPolarHBondContact O-CG2 3.37Å; Y450-V470 HydrophobicContact CE1-CB 4.13Å; Y450-V470 HydrophobicContact CE1-CG2 3.95Å; Y450-V470 PolarHBondContact OH-N 2.83Å; Y450-V470 VanDerWaalsContact OH-N 3.16Å; Y450-V470 PolarHBondContact OH-O 3.09Å; R468-V470 PolarHBondContact O-N 2.83Å; V470-A506 WeakPolarHBondContact O-CB 3.14Å; V470-V606 HydrophobicContact CB-CG1 4.45Å; V470-V606 HydrophobicContact CG2-CG1 3.92Å; V470-D608 HydrophobicContact CG1-CB 3.63Å |
| 471 | V | 91.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.2 | 179.9 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | I473 A506 Y509 L513 I588 P605 V606 V607 D608 Q611 | V471-I473 HydrophobicContact CG2-CG1 4.35Å; V471-A506 HydrophobicContact CB-CB 4.38Å; V471-A506 HydrophobicContact CG1-CB 3.9Å; V471-Y509 HydrophobicContact CG1-CD1 4Å; V471-Y509 HydrophobicContact CG1-CG 4.23Å; V471-L513 HydrophobicContact CG2-CD2 4.23Å; V471-I588 HydrophobicContact CG2-CD1 3.6Å; V471-P605 HydrophobicContact CG1-CB 3.72Å; V471-P605 HydrophobicContact CG1-CG 4.47Å; V471-P605 HydrophobicContact CG2-CB 4.31Å; V471-V606 WeakPolarHBondContact CG2-O 3.33Å; V471-V606 PolarHBondContact N-O 3.46Å; V471-V607 WeakPolarHBondContact O-CA 3.43Å; V471-D608 PolarHBondContact O-N 2.88Å; V471-Q611 PolarHBondContact O-NE2 2.04Å |
| 472 | N | 90.9 | Very high | 92.1 | Very high | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.3 | 174.8 | -169.9 | -60.1 | 0 | 0 | 0 | 108.8 | Y504 T505 D608 | N472-Y504 CarbonylContact O-C 3.59Å; N472-Y504 VanDerWaalsContact O-CA 3.26Å; N472-Y504 WeakPolarHBondContact O-CA 3.32Å; N472-T505 PolarHBondContact N-O 3.4Å; N472-T505 PolarHBondContact O-N 2.96Å; N472-D608 PolarHBondContact ND2-OD2 2.7Å |
| 473 | I | 91.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.5 | -175 | -57.6 | 174.4 | 0 | 0 | 0 | 107.9 | V471 K475 N503 I515 A586 I588 V607 Q611 | V471-I473 HydrophobicContact CG2-CG1 4.35Å; I473-K475 WeakPolarHBondContact O-CE 3.35Å; I473-K475 PolarHBondContact O-N 2.83Å; I473-N503 CarbonylContact C-O 3.54Å; I473-N503 WeakPolarHBondContact CA-O 3.43Å; I473-I515 HydrophobicContact CD1-CG2 4.09Å; I473-A586 HydrophobicContact CG2-CB 4.33Å; I473-I588 HydrophobicContact CD1-CD1 4.47Å; I473-I588 HydrophobicContact CD1-CG1 3.96Å; I473-V607 HydrophobicContact CD1-CG2 3.87Å; I473-Q611 PolarHBondContact O-OE1 2.8Å |
| 474 | R | 92.1 | Very high | 90.4 | Very high | 142 Ų | 142 | 43.1 Ų | 43.1 | 54% | 0.536 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.8 | 178.9 | -49.4 | -175.8 | -177.7 | -163.8 | -2.3 | 108.7 | F502 N503 | R474-F502 WeakPolarHBondContact O-CA 3.07Å; R474-N503 WeakPolarHBondContact CB-OD1 3.43Å; R474-N503 WeakPolarHBondContact CD-OD1 3.41Å; R474-N503 PolarHBondContact N-O 3.26Å; R474-N503 PolarHBondContact O-N 3.02Å |
| 475 | K | 93.4 | Very high | 89.3 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.9 | -179.6 | -55 | 142.8 | -159.6 | 171.6 | 0 | 106.3 | I473 F502 P612 R613 A615 | I473-K475 WeakPolarHBondContact O-CE 3.35Å; I473-K475 PolarHBondContact O-N 2.83Å; K475-F502 HydrophobicContact CB-CD1 4.44Å; K475-F502 HydrophobicContact CB-CE1 4.45Å; K475-F502 HydrophobicContact CG-CD1 4.01Å; K475-F502 HydrophobicContact CG-CE1 4.11Å; K475-P612 PolarHBondContact NZ-O 2.9Å; K475-R613 PolarHBondContact NZ-O 3.01Å; K475-A615 HydrophobicContact CB-CB 3.73Å; K475-A615 WeakPolarHBondContact O-CB 3.13Å |
| 476 | N | 93.9 | Very high | 88.1 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.9 | 173.1 | -171.9 | 20.6 | 0 | 0 | 0 | 108.8 | A500 C501 | N476-A500 WeakPolarHBondContact O-CA 3.48Å; N476-C501 HydrophobicContact CB-CB 4.37Å; N476-C501 PolarHBondContact N-O 2.92Å; N476-C501 PolarHBondContact O-N 2.78Å |
| 477 | V | 94.7 | Very high | 86.4 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124 | -173.2 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | V498 T499 I582 V584 A615 A617 | V477-V498 HydrophobicContact CG1-CG1 4.25Å; V477-T499 WeakPolarHBondContact CA-O 3.31Å; V477-I582 HydrophobicContact CG1-CG2 4.37Å; V477-V584 HydrophobicContact CB-CG2 4.3Å; V477-V584 HydrophobicContact CG1-CG2 3.76Å; V477-V584 HydrophobicContact CG2-CB 3.64Å; V477-V584 HydrophobicContact CG2-CG1 4.29Å; V477-V584 HydrophobicContact CG2-CG2 3.47Å; V477-V584 VanDerWaalsContact CG2-CG2 3.47Å; V477-A615 HydrophobicContact CG2-CB 3.73Å; V477-A617 HydrophobicContact CB-CB 4.05Å; V477-A617 HydrophobicContact CG1-CB 3.7Å |
| 478 | T | 93.7 | Very high | 84.5 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.7 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | T499 | T478-T499 PolarHBondContact N-O 3.15Å; T478-T499 PolarHBondContact O-N 3.02Å |
| 479 | V | 91.8 | Very high | 82.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | F496 T497 V498 I582 A617 V619 | V479-F496 HydrophobicContact CG1-CB 4.31Å; V479-F496 HydrophobicContact CG1-CD2 3.41Å; V479-F496 VanDerWaalsContact CG1-CD2 3.41Å; V479-F496 HydrophobicContact CG1-CE2 3.99Å; V479-F496 HydrophobicContact CG1-CG 4.14Å; V479-T497 WeakPolarHBondContact CA-O 3.21Å; V479-V498 HydrophobicContact CG2-CG2 4.26Å; V479-I582 HydrophobicContact CG2-CG1 4.43Å; V479-A617 HydrophobicContact CG2-CB 3.96Å; V479-V619 HydrophobicContact CB-CG2 4.25Å; V479-V619 HydrophobicContact CG1-CG1 4.04Å; V479-V619 HydrophobicContact CG1-CG2 3.74Å; V479-V619 HydrophobicContact CG2-CG2 4.13Å |
| 480 | S | 88.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.2 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | T497 | S480-T497 PolarHBondContact N-O 2.79Å; S480-T497 PolarHBondContact O-N 2.7Å |
| 481 | P | 85.3 | Confident | 79 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | S | Bend | cis | -69.6 | 161.5 | -7.3 | 31.9 | -37.1 | 0 | 0 | 0 | 113 | E483 | P481-E483 VanDerWaalsContact C-N 3.34Å; P481-E483 WeakPolarHBondContact CG-O 3.41Å |
| 482 | E | 77.9 | Confident | 77.3 | Confident | 152 Ų | 152 | 73.7 Ų | 73.7 | 71% | 0.71 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -74.6 | -24.4 | 174.1 | -62.3 | -178.9 | 171.1 | 0 | 0 | 113 | N620 | E482-N620 PolarHBondContact O-N 2.88Š|
| 483 | E | 78.3 | Confident | 76 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.5 | 178 | -63.2 | -172.5 | 171.7 | 0 | 0 | 110.3 | P481 D485 N620 V622 K630 | P481-E483 VanDerWaalsContact C-N 3.34Å; P481-E483 WeakPolarHBondContact CG-O 3.41Å; E483-D485 PolarHBondContact O-N 2.63Å; E483-N620 CarbonylContact C-O 3.59Å; E483-N620 WeakPolarHBondContact CA-O 3.39Å; E483-N620 HydrophobicContact CG-CB 4.34Å; E483-V622 HydrophobicContact CB-CG2 4.37Å; E483-K630 IonicContact OE1-NZ 2.58Å; E483-K630 PolarHBondContact OE1-NZ 3.12Å |
| 484 | I | 78.3 | Confident | 75.2 | Confident | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.046 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 103.4 | 175.2 | -57.9 | 170.5 | 0 | 0 | 0 | 108 | L486 F496 L569 V619 N620 F621 V622 | I484-L486 HydrophobicContact CG2-CD2 4.12Å; I484-F496 HydrophobicContact CD1-CD1 3.86Å; I484-F496 HydrophobicContact CD1-CE1 3.82Å; I484-F496 HydrophobicContact CG1-CD1 4.19Å; I484-L569 HydrophobicContact CG2-CD2 4.33Å; I484-V619 HydrophobicContact CD1-CB 4.36Å; I484-V619 HydrophobicContact CD1-CG1 3.96Å; I484-V619 HydrophobicContact CG1-CG1 3.8Å; I484-N620 PolarHBondContact N-O 2.85Å; I484-F621 HydrophobicContact CB-CD1 4.04Å; I484-F621 HydrophobicContact CB-CE1 4.37Å; I484-F621 HydrophobicContact CD1-CD1 4.29Å; I484-F621 HydrophobicContact CD1-CE1 3.9Å; I484-F621 HydrophobicContact CD1-CZ 4.22Å; I484-F621 HydrophobicContact CG2-CD1 4.12Å; I484-F621 HydrophobicContact CG2-CE1 4.22Å; I484-V622 PolarHBondContact O-N 3.48Å |
| 485 | D | 72 | Confident | 74.8 | Confident | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | trans | -82.2 | 131.9 | 166 | -168.2 | -14 | 0 | 0 | 0 | 109.6 | E483 G487 F494 V622 | E483-D485 PolarHBondContact O-N 2.63Å; D485-G487 VanDerWaalsContact C-N 3.3Å; D485-G487 PolarHBondContact OD1-N 2.78Å; D485-F494 WeakPolarHBondContact O-CD1 3.35Å; D485-V622 HydrophobicContact CB-CG2 4.05Å | ||
| 486 | L | 69.8 | Low | 74.5 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 32% | 0.319 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5 | 176.8 | -61 | -179.2 | 0 | 0 | 0 | 112.9 | I484 F494 L569 K576 | I484-L486 HydrophobicContact CG2-CD2 4.12Å; L486-F494 VanDerWaalsContact CA-CE1 3.47Å; L486-F494 HydrophobicContact CB-CE1 4.37Å; L486-F494 HydrophobicContact CB-CZ 4.19Å; L486-F494 HydrophobicContact CD2-CD1 4.24Å; L486-F494 HydrophobicContact CD2-CD2 3.77Å; L486-F494 HydrophobicContact CD2-CE1 4.39Å; L486-F494 HydrophobicContact CD2-CE2 3.91Å; L486-F494 HydrophobicContact CD2-CG 3.96Å; L486-F494 HydrophobicContact CD2-CZ 4.22Å; L486-F494 VanDerWaalsContact O-CE1 3.24Å; L486-F494 WeakPolarHBondContact O-CE1 3.5Å; L486-F494 WeakPolarHBondContact O-CZ 3.42Å; L486-L569 HydrophobicContact CD2-CD2 3.77Å; L486-K576 HydrophobicContact CD1-CD 3.88Å |
| 487 | G | 59 | Low | 74.2 | Confident | 65 Ų | 65 | 67 Ų | 67 | 67% | 0.67 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D485 | D485-G487 VanDerWaalsContact C-N 3.3Å; D485-G487 PolarHBondContact OD1-N 2.78Å |
| 488 | V | 56.4 | Low | 74.1 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -134.3 | 119.3 | -173.7 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | F494 | V488-F494 WeakPolarHBondContact O-CD1 3.38Š|
| 489 | G | 54.7 | Low | 74.2 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | trans | -124.9 | 165.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | S493 | G489-S493 CarbonylContact C-O 3.52Š| ||
| 490 | C | 54.5 | Low | 74.4 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -101.2 | 106.4 | 174.3 | -41.1 | 0 | 0 | 0 | 0 | 108.8 | S492 S493 C495 | C490-S492 PolarHBondContact O-N 2.81Å; C490-S493 CarbonylContact C-O 3.57Å; C490-S493 WeakPolarHBondContact CA-O 3.15Å; C490-S493 PolarHBondContact N-O 2.86Å; C490-S493 PolarHBondContact O-N 2.95Å; C490-S493 PolarHBondContact O-OG 3.23Å; C490-C495 HydrophobicContact CB-CB 3.83Å; C490-C495 WeakPolarHBondContact CB-SG 3.31Å; C490-C495 WeakPolarHBondContact SG-CB 3.49Å; C490-C495 CovalentContact SG-SG 2.05Å; C490-C495 PolarHBondContact SG-SG 3.43Å |
| 491 | D | 51.8 | Low | 74.7 | Confident | 164 Ų | 164 | 61 Ų | 61 | 88% | 0.877 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.7 | 70.2 | 175.9 | -69.2 | -22.6 | 0 | 0 | 0 | 114.8 | S493 | D491-S493 PolarHBondContact O-N 3.41Š|
| 492 | S | 54.4 | Low | 75.1 | Confident | 132 Ų | 132 | 58 Ų | 58 | 92% | 0.923 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 5.5 | -179.5 | 71.1 | 0 | 0 | 0 | 0 | 118.6 | C490 | C490-S492 PolarHBondContact O-N 2.81Š|
| 493 | S | 63.6 | Low | 75.9 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -139 | 161.4 | 170.5 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | G489 C490 D491 | G489-S493 CarbonylContact C-O 3.52Å; C490-S493 CarbonylContact C-O 3.57Å; C490-S493 WeakPolarHBondContact CA-O 3.15Å; C490-S493 PolarHBondContact N-O 2.86Å; C490-S493 PolarHBondContact O-N 2.95Å; C490-S493 PolarHBondContact O-OG 3.23Å; D491-S493 PolarHBondContact O-N 3.41Å |
| 494 | F | 75.4 | Confident | 76.6 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | trans | -87.4 | 129.5 | 172.4 | -58.3 | -78.5 | 0 | 0 | 0 | 109.4 | D485 L486 V488 G568 L569 | D485-F494 WeakPolarHBondContact O-CD1 3.35Å; L486-F494 VanDerWaalsContact CA-CE1 3.47Å; L486-F494 HydrophobicContact CB-CE1 4.37Å; L486-F494 HydrophobicContact CB-CZ 4.19Å; L486-F494 HydrophobicContact CD2-CD1 4.24Å; L486-F494 HydrophobicContact CD2-CD2 3.77Å; L486-F494 HydrophobicContact CD2-CE1 4.39Å; L486-F494 HydrophobicContact CD2-CE2 3.91Å; L486-F494 HydrophobicContact CD2-CG 3.96Å; L486-F494 HydrophobicContact CD2-CZ 4.22Å; L486-F494 VanDerWaalsContact O-CE1 3.24Å; L486-F494 WeakPolarHBondContact O-CE1 3.5Å; L486-F494 WeakPolarHBondContact O-CZ 3.42Å; V488-F494 WeakPolarHBondContact O-CD1 3.38Å; F494-G568 CarbonylContact O-C 3.4Å; F494-G568 WeakPolarHBondContact O-CA 3.22Å; F494-L569 HydrophobicContact CB-CB 3.91Å; F494-L569 HydrophobicContact CB-CD2 4.05Å; F494-L569 HydrophobicContact CD2-CD2 4.1Å; F494-L569 HydrophobicContact CG-CD2 4.38Å; F494-L569 WeakPolarHBondContact O-CB 3.48Å; F494-L569 PolarHBondContact O-N 3.22Å | ||
| 495 | C | 82.4 | Confident | 77.3 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 24% | 0.243 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.9 | -176.3 | 85.6 | 0 | 0 | 0 | 0 | 113 | C490 L537 V567 | C490-C495 HydrophobicContact CB-CB 3.83Å; C490-C495 WeakPolarHBondContact CB-SG 3.31Å; C490-C495 WeakPolarHBondContact SG-CB 3.49Å; C490-C495 CovalentContact SG-SG 2.05Å; C490-C495 PolarHBondContact SG-SG 3.43Å; C495-L537 HydrophobicContact CB-CD1 4.17Å; C495-V567 CarbonylContact C-O 3.57Å; C495-V567 VanDerWaalsContact CA-O 3.3Å; C495-V567 WeakPolarHBondContact CA-O 3.27Å |
| 496 | F | 87 | Confident | 78.1 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.6 | 171.6 | 60.7 | -97.9 | 0 | 0 | 0 | 110.6 | V479 I484 V498 V534 V567 V580 I582 V619 | V479-F496 HydrophobicContact CG1-CB 4.31Å; V479-F496 HydrophobicContact CG1-CD2 3.41Å; V479-F496 VanDerWaalsContact CG1-CD2 3.41Å; V479-F496 HydrophobicContact CG1-CE2 3.99Å; V479-F496 HydrophobicContact CG1-CG 4.14Å; I484-F496 HydrophobicContact CD1-CD1 3.86Å; I484-F496 HydrophobicContact CD1-CE1 3.82Å; I484-F496 HydrophobicContact CG1-CD1 4.19Å; F496-V498 HydrophobicContact CD2-CG2 4.04Å; F496-V498 HydrophobicContact CE2-CG2 3.73Å; F496-V534 HydrophobicContact CE1-CG1 3.98Å; F496-V534 HydrophobicContact CZ-CG1 4.12Å; F496-V567 HydrophobicContact CD2-CB 3.95Å; F496-V567 HydrophobicContact CD2-CG1 4.5Å; F496-V567 HydrophobicContact CE1-CB 4.32Å; F496-V567 HydrophobicContact CE1-CG1 3.96Å; F496-V567 HydrophobicContact CE2-CB 3.59Å; F496-V567 HydrophobicContact CE2-CG1 3.74Å; F496-V567 HydrophobicContact CE2-CG2 4.1Å; F496-V567 HydrophobicContact CG-CB 4.48Å; F496-V567 HydrophobicContact CZ-CB 3.8Å; F496-V567 HydrophobicContact CZ-CG1 3.43Å; F496-V567 VanDerWaalsContact CZ-CG1 3.43Å; F496-V567 PolarHBondContact N-O 3.44Å; F496-V567 PolarHBondContact O-N 3.15Å; F496-V580 HydrophobicContact CZ-CG1 4.42Å; F496-I582 HydrophobicContact CE2-CD1 4.14Å; F496-I582 HydrophobicContact CZ-CD1 4.25Å; F496-V619 HydrophobicContact CD1-CG1 4.42Å; F496-V619 HydrophobicContact CD2-CG2 4.31Å; F496-V619 HydrophobicContact CE2-CG2 3.82Å; F496-V619 HydrophobicContact CG-CG1 4.42Å; F496-V619 HydrophobicContact CZ-CG2 3.93Å |
| 497 | T | 89.6 | Confident | 78.8 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.1 | 179.7 | -50.6 | 0 | 0 | 0 | 0 | 110 | V479 S480 N566 | V479-T497 WeakPolarHBondContact CA-O 3.21Å; S480-T497 PolarHBondContact N-O 2.79Å; S480-T497 PolarHBondContact O-N 2.7Å; T497-N566 PolarHBondContact OG1-OD1 3.4Å |
| 498 | V | 92.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.2 | 168.2 | 176.6 | 0 | 0 | 0 | 0 | 108.2 | V477 V479 F496 I519 S564 I565 V567 I582 | V477-V498 HydrophobicContact CG1-CG1 4.25Å; V479-V498 HydrophobicContact CG2-CG2 4.26Å; F496-V498 HydrophobicContact CD2-CG2 4.04Å; F496-V498 HydrophobicContact CE2-CG2 3.73Å; V498-I519 HydrophobicContact CG1-CG2 4.23Å; V498-S564 CarbonylContact O-C 3.55Å; V498-S564 VanDerWaalsContact O-CA 3.29Å; V498-S564 WeakPolarHBondContact O-CA 3.23Å; V498-I565 PolarHBondContact N-O 3.1Å; V498-I565 PolarHBondContact O-N 2.82Å; V498-V567 HydrophobicContact CB-CG2 4.47Å; V498-V567 HydrophobicContact CG2-CG2 3.74Å; V498-I582 HydrophobicContact CG1-CG2 3.87Å; V498-I582 HydrophobicContact CG2-CD1 4.26Å; V498-I582 HydrophobicContact CG2-CG1 4.16Å; V498-I582 HydrophobicContact CG2-CG2 4.18Å |
| 499 | T | 94.9 | Very high | 81.2 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.8 | 171.1 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | V477 T478 C562 V563 S564 | V477-T499 WeakPolarHBondContact CA-O 3.31Å; T478-T499 PolarHBondContact N-O 3.15Å; T478-T499 PolarHBondContact O-N 3.02Å; T499-C562 HydrophobicContact CG2-CB 4.32Å; T499-V563 WeakPolarHBondContact CA-O 3.37Å; T499-S564 WeakPolarHBondContact CG2-OG 3.3Å; T499-S564 PolarHBondContact OG1-OG 2.71Å |
| 500 | A | 95.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N476 F502 I519 C562 V563 V584 | N476-A500 WeakPolarHBondContact O-CA 3.48Å; A500-F502 HydrophobicContact CB-CE2 3.84Å; A500-F502 HydrophobicContact CB-CZ 3.9Å; A500-I519 HydrophobicContact CB-CD1 3.9Å; A500-I519 HydrophobicContact CB-CG1 4.43Å; A500-C562 CarbonylContact O-C 3.58Å; A500-C562 VanDerWaalsContact O-CA 3.28Å; A500-C562 WeakPolarHBondContact O-CA 3.29Å; A500-V563 PolarHBondContact N-O 2.99Å; A500-V563 PolarHBondContact O-N 3.37Å; A500-V584 HydrophobicContact CB-CG1 4.1Å |
| 501 | C | 95.1 | Very high | 84.4 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.7 | 179 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | N476 Q561 C562 | N476-C501 HydrophobicContact CB-CB 4.37Å; N476-C501 PolarHBondContact N-O 2.92Å; N476-C501 PolarHBondContact O-N 2.78Å; C501-Q561 WeakPolarHBondContact CA-O 3.45Å; C501-C562 HydrophobicContact CB-CB 4.07Å; C501-C562 WeakPolarHBondContact CB-SG 3.37Å; C501-C562 WeakPolarHBondContact SG-CB 3.31Å; C501-C562 CovalentContact SG-SG 2.04Å; C501-C562 PolarHBondContact SG-SG 2.8Å |
| 502 | F | 95.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134 | -177.4 | -52.5 | -89.3 | 0 | 0 | 0 | 110.5 | R474 K475 A500 I515 Y517 L552 L554 G560 Q561 V584 A586 | R474-F502 WeakPolarHBondContact O-CA 3.07Å; K475-F502 HydrophobicContact CB-CD1 4.44Å; K475-F502 HydrophobicContact CB-CE1 4.45Å; K475-F502 HydrophobicContact CG-CD1 4.01Å; K475-F502 HydrophobicContact CG-CE1 4.11Å; A500-F502 HydrophobicContact CB-CE2 3.84Å; A500-F502 HydrophobicContact CB-CZ 3.9Å; F502-I515 HydrophobicContact CB-CD1 3.82Å; F502-I515 HydrophobicContact CD1-CD1 4.07Å; F502-I515 HydrophobicContact CG-CD1 3.9Å; F502-Y517 HydrophobicContact CE2-CD1 4.29Å; F502-Y517 HydrophobicContact CE2-CD2 4.38Å; F502-Y517 AromaticContact CE2-CG 3.98Å; F502-Y517 HydrophobicContact CE2-CG 3.98Å; F502-Y517 HydrophobicContact CZ-CD2 4.29Å; F502-Y517 AromaticContact CZ-CG 3.91Å; F502-Y517 HydrophobicContact CZ-CG 3.91Å; F502-L552 HydrophobicContact CB-CD2 4.09Å; F502-L552 HydrophobicContact CD2-CD2 3.57Å; F502-L552 HydrophobicContact CE2-CD2 4.4Å; F502-L552 HydrophobicContact CG-CD2 4.17Å; F502-L554 WeakPolarHBondContact O-CD2 3.21Å; F502-G560 WeakPolarHBondContact O-CA 3.27Å; F502-Q561 PolarHBondContact N-O 2.91Å; F502-Q561 PolarHBondContact O-N 3.45Å; F502-V584 HydrophobicContact CE1-CG1 3.82Å; F502-V584 HydrophobicContact CZ-CG1 3.62Å; F502-A586 HydrophobicContact CD1-CB 4.01Å; F502-A586 HydrophobicContact CE1-CB 3.88Å |
| 503 | N | 94.3 | Very high | 87.8 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 172.5 | 161 | 80.7 | -2.6 | 0 | 0 | 0 | 110.1 | I473 R474 N558 A559 | I473-N503 CarbonylContact C-O 3.54Å; I473-N503 WeakPolarHBondContact CA-O 3.43Å; R474-N503 WeakPolarHBondContact CB-OD1 3.43Å; R474-N503 WeakPolarHBondContact CD-OD1 3.41Å; R474-N503 PolarHBondContact N-O 3.26Å; R474-N503 PolarHBondContact O-N 3.02Å; N503-N558 PolarHBondContact ND2-O 2.88Å; N503-A559 WeakPolarHBondContact CB-O 3.41Å |
| 504 | Y | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.5 | 177.3 | 82 | -96.8 | 0 | 0 | 0 | 113 | N472 Y509 K511 L513 L554 Q557 N558 | N472-Y504 CarbonylContact O-C 3.59Å; N472-Y504 VanDerWaalsContact O-CA 3.26Å; N472-Y504 WeakPolarHBondContact O-CA 3.32Å; Y504-Y509 HydrophobicContact CE2-CD1 4.04Å; Y504-K511 PolarHBondContact OH-N 2.68Å; Y504-K511 PolarHBondContact OH-O 3.29Å; Y504-L513 HydrophobicContact CD1-CB 4.23Å; Y504-L513 HydrophobicContact CD1-CD2 3.85Å; Y504-L513 HydrophobicContact CE1-CB 3.94Å; Y504-L513 HydrophobicContact CE1-CD2 4.28Å; Y504-L513 HydrophobicContact CG-CD2 3.97Å; Y504-L554 HydrophobicContact CD1-CB 3.84Å; Y504-L554 HydrophobicContact CD1-CD1 3.95Å; Y504-L554 HydrophobicContact CE1-CB 4.08Å; Y504-Q557 HydrophobicContact CD2-CG 3.93Å; Y504-Q557 HydrophobicContact CE2-CB 3.89Å; Y504-Q557 HydrophobicContact CE2-CG 3.69Å; Y504-Q557 VanDerWaalsContact O-CG 3.23Å; Y504-Q557 WeakPolarHBondContact O-CG 3.48Å; Y504-Q557 PolarHBondContact OH-N 2.96Å; Y504-N558 PolarHBondContact O-N 3.25Å |
| 505 | T | 91.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.8 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | N472 N558 | N472-T505 PolarHBondContact N-O 3.4Å; N472-T505 PolarHBondContact O-N 2.96Å; T505-N558 VanDerWaalsContact CG2-OD1 3.24Å; T505-N558 WeakPolarHBondContact CG2-OD1 3.4Å |
| 506 | A | 89.3 | Confident | 90.4 | Very high | 19 Ų | 19 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | trans | -160.7 | 159.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V470 V471 Q557 | V470-A506 WeakPolarHBondContact O-CB 3.14Å; V471-A506 HydrophobicContact CB-CB 4.38Å; V471-A506 HydrophobicContact CG1-CB 3.9Å; A506-Q557 VanDerWaalsContact N-CD 3.27Å; A506-Q557 PolarHBondContact O-NE2 3.25Å; A506-Q557 PolarHBondContact O-OE1 2.89Å | ||
| 507 | R | 84.2 | Confident | 90.7 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 49% | 0.494 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -74.1 | -57.5 | -177.8 | -146 | 172.3 | -173.1 | 169.6 | -6.2 | 111.9 | D384 Q387 S389 | D384-R507 IonicContact OD2-CZ 2.71Å; D384-R507 IonicContact OD2-NH1 3.54Å; D384-R507 PolarHBondContact OD2-NH1 2.95Å; Q387-R507 HydrophobicContact CB-CB 4.38Å; Q387-R507 PolarHBondContact O-NH1 3.05Å; S389-R507 PolarHBondContact OG-NH1 3.45Å; S389-R507 PolarHBondContact OG-NH2 2.89Å |
| 508 | S | 80.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -112.4 | -7.7 | -175.2 | -46.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 509 | Y | 86.2 | Confident | 90.8 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | trans | -94.4 | 118.1 | -176.3 | -167.9 | -88.1 | 0 | 0 | 0 | 113.1 | P469 V471 Y504 K511 Q557 P605 | P469-Y509 HydrophobicContact CB-CD2 3.77Å; P469-Y509 HydrophobicContact CB-CG 4.25Å; P469-Y509 HydrophobicContact CG-CD2 4.13Å; V471-Y509 HydrophobicContact CG1-CD1 4Å; V471-Y509 HydrophobicContact CG1-CG 4.23Å; Y504-Y509 HydrophobicContact CE2-CD1 4.04Å; Y509-K511 HydrophobicContact CE1-CB 4.01Å; Y509-K511 HydrophobicContact CE2-CB 4.34Å; Y509-K511 HydrophobicContact CE2-CD 4.45Å; Y509-Q557 PolarHBondContact O-NE2 2.97Å; Y509-P605 HydrophobicContact CD2-CB 4.35Å; Y509-P605 HydrophobicContact CE1-CG 4.04Å; Y509-P605 HydrophobicContact CE2-CB 4.15Å; Y509-P605 HydrophobicContact CE2-CG 3.89Å | ||
| 510 | N | 88.1 | Confident | 90.6 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | trans | -141.7 | 70.7 | 173.9 | -170.9 | 21.7 | 0 | 0 | 0 | 110.8 | Q557 | N510-Q557 PolarHBondContact OD1-N 3.07Š| ||
| 511 | K | 87.3 | Confident | 90.3 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -131.3 | 165.3 | 176.7 | -62.9 | -176.4 | -179.4 | 178.7 | 0 | 110.2 | Y504 Y509 L513 | Y504-K511 PolarHBondContact OH-N 2.68Å; Y504-K511 PolarHBondContact OH-O 3.29Å; Y509-K511 HydrophobicContact CE1-CB 4.01Å; Y509-K511 HydrophobicContact CE2-CB 4.34Å; Y509-K511 HydrophobicContact CE2-CD 4.45Å; K511-L513 PolarHBondContact O-N 3.47Å |
| 512 | R | 89 | Confident | 90.1 | Very high | 164 Ų | 164 | 39.5 Ų | 39.5 | 62% | 0.619 | 20% | 0.196 | S | C | * | . | trans | -61.2 | 129.6 | 178.2 | -65.5 | -173 | -74 | 142.6 | -15 | 110.8 | E553 Q555 | R512-E553 WeakPolarHBondContact CD-OE1 3.41Å; R512-E553 IonicContact CZ-OE1 3.97Å; R512-E553 IonicContact NH1-OE1 3.22Å; R512-E553 PolarHBondContact NH1-OE1 2.94Å; R512-Q555 WeakPolarHBondContact CA-O 3.22Å; R512-Q555 VanDerWaalsContact CG-O 3.24Å; R512-Q555 WeakPolarHBondContact CG-O 3.31Å | ||
| 513 | L | 89.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 112.3 | -172.8 | -176 | 65.7 | 0 | 0 | 0 | 110.8 | V471 Y504 K511 I515 L554 I588 P605 | V471-L513 HydrophobicContact CG2-CD2 4.23Å; Y504-L513 HydrophobicContact CD1-CB 4.23Å; Y504-L513 HydrophobicContact CD1-CD2 3.85Å; Y504-L513 HydrophobicContact CE1-CB 3.94Å; Y504-L513 HydrophobicContact CE1-CD2 4.28Å; Y504-L513 HydrophobicContact CG-CD2 3.97Å; K511-L513 PolarHBondContact O-N 3.47Å; L513-I515 HydrophobicContact CD2-CG2 4.39Å; L513-I515 HydrophobicContact CG-CG2 4.24Å; L513-L554 PolarHBondContact N-O 2.83Å; L513-L554 PolarHBondContact O-N 2.88Å; L513-I588 HydrophobicContact CD1-CD1 4.31Å; L513-I588 HydrophobicContact CD1-CG1 4.17Å; L513-I588 HydrophobicContact CD1-CG2 3.73Å; L513-P605 HydrophobicContact CD1-CG 3.72Å |
| 514 | T | 91 | Very high | 89.1 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 36% | 0.356 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.6 | 174.1 | -36.3 | 0 | 0 | 0 | 0 | 110.6 | L552 I589 | T514-L552 CarbonylContact C-O 3.6Å; T514-L552 WeakPolarHBondContact CA-O 3.48Å; T514-L552 WeakPolarHBondContact CG2-O 3.46Å; T514-I589 HydrophobicContact CG2-CD1 4Å; T514-I589 PolarHBondContact O-N 3.22Å |
| 515 | I | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.4 | 176.1 | 63.7 | 171.3 | 0 | 0 | 0 | 110.8 | I473 F502 L513 T551 L552 L554 A586 E587 | I473-I515 HydrophobicContact CD1-CG2 4.09Å; F502-I515 HydrophobicContact CB-CD1 3.82Å; F502-I515 HydrophobicContact CD1-CD1 4.07Å; F502-I515 HydrophobicContact CG-CD1 3.9Å; L513-I515 HydrophobicContact CD2-CG2 4.39Å; L513-I515 HydrophobicContact CG-CG2 4.24Å; I515-T551 CarbonylContact O-C 3.38Å; I515-T551 VanDerWaalsContact O-CA 3.3Å; I515-T551 WeakPolarHBondContact O-CA 3.15Å; I515-L552 HydrophobicContact CD1-CB 4.36Å; I515-L552 HydrophobicContact CD1-CD2 4.32Å; I515-L552 HydrophobicContact CG1-CB 3.84Å; I515-L552 PolarHBondContact N-O 2.81Å; I515-L552 PolarHBondContact O-N 2.9Å; I515-L554 HydrophobicContact CD1-CD1 4.12Å; I515-A586 HydrophobicContact CD1-CB 4.23Å; I515-E587 CarbonylContact C-O 3.15Å; I515-E587 VanDerWaalsContact CA-O 3.25Å; I515-E587 WeakPolarHBondContact CA-O 3.29Å; I515-E587 WeakPolarHBondContact CB-O 3.07Å |
| 516 | S | 93.4 | Very high | 88.4 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.4 | 161.8 | -162.9 | 0 | 0 | 0 | 0 | 107.1 | G550 A586 E587 | S516-G550 CarbonylContact C-O 3.5Å; S516-G550 WeakPolarHBondContact CA-O 3.18Å; S516-G550 PolarHBondContact OG-O 2.96Å; S516-A586 CarbonylContact O-C 3.27Å; S516-A586 WeakPolarHBondContact O-CA 3.18Å; S516-E587 PolarHBondContact N-O 3.11Å; S516-E587 PolarHBondContact O-N 3.35Å |
| 517 | Y | 93 | Very high | 88.2 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 154.4 | 174.4 | 64 | -92.7 | 0 | 0 | 0 | 110.7 | F502 I519 F548 N549 G550 L552 V563 S585 | F502-Y517 HydrophobicContact CE2-CD1 4.29Å; F502-Y517 HydrophobicContact CE2-CD2 4.38Å; F502-Y517 AromaticContact CE2-CG 3.98Å; F502-Y517 HydrophobicContact CE2-CG 3.98Å; F502-Y517 HydrophobicContact CZ-CD2 4.29Å; F502-Y517 AromaticContact CZ-CG 3.91Å; F502-Y517 HydrophobicContact CZ-CG 3.91Å; Y517-I519 HydrophobicContact CD2-CD1 4.09Å; Y517-I519 HydrophobicContact CD2-CG1 4.25Å; Y517-I519 HydrophobicContact CE2-CD1 4.11Å; Y517-F548 HydrophobicContact CE2-CD1 4.07Å; Y517-F548 AromaticContact CE2-CE1 3.93Å; Y517-F548 HydrophobicContact CE2-CE1 3.93Å; Y517-N549 WeakPolarHBondContact O-CA 3.42Å; Y517-G550 WeakPolarHBondContact CD1-O 3.49Å; Y517-G550 PolarHBondContact N-O 2.99Å; Y517-G550 PolarHBondContact O-N 3.04Å; Y517-L552 HydrophobicContact CD1-CB 4.09Å; Y517-L552 HydrophobicContact CE1-CB 4.09Å; Y517-V563 HydrophobicContact CE1-CG2 4.16Å; Y517-S585 WeakPolarHBondContact CA-O 3.43Å |
| 518 | S | 92.2 | Very high | 88.1 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.3 | 178.8 | 164.7 | 0 | 0 | 0 | 0 | 108.5 | Q547 N549 V584 S585 | S518-Q547 PolarHBondContact OG-NE2 3.37Å; S518-N549 WeakPolarHBondContact CA-OD1 3.19Å; S518-N549 WeakPolarHBondContact CB-OD1 3.48Å; S518-N549 PolarHBondContact OG-OD1 2.85Å; S518-V584 WeakPolarHBondContact O-CA 3.36Å; S518-S585 WeakPolarHBondContact CB-OG 3.47Å; S518-S585 PolarHBondContact N-O 2.89Å; S518-S585 PolarHBondContact O-N 3.06Å |
| 519 | I | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113 | 176.9 | -60.6 | 164.3 | 0 | 0 | 0 | 106.7 | V498 A500 Y517 F536 Q547 F548 I565 I582 V584 | V498-I519 HydrophobicContact CG1-CG2 4.23Å; A500-I519 HydrophobicContact CB-CD1 3.9Å; A500-I519 HydrophobicContact CB-CG1 4.43Å; Y517-I519 HydrophobicContact CD2-CD1 4.09Å; Y517-I519 HydrophobicContact CD2-CG1 4.25Å; Y517-I519 HydrophobicContact CE2-CD1 4.11Å; I519-F536 HydrophobicContact CB-CE1 4.46Å; I519-F536 HydrophobicContact CG2-CE1 3.76Å; I519-F536 HydrophobicContact CG2-CZ 3.95Å; I519-F536 WeakPolarHBondContact O-CZ 3.46Å; I519-Q547 CarbonylContact O-C 3.56Å; I519-Q547 WeakPolarHBondContact O-CA 3.27Å; I519-F548 HydrophobicContact CB-CB 4.46Å; I519-F548 PolarHBondContact N-O 3.26Å; I519-F548 PolarHBondContact O-N 3.44Å; I519-I565 HydrophobicContact CD1-CD1 3.4Å; I519-I565 VanDerWaalsContact CD1-CD1 3.4Å; I519-I582 HydrophobicContact CG2-CG2 4.01Å; I519-V584 HydrophobicContact CB-CG2 4.43Å; I519-V584 HydrophobicContact CG1-CG1 4Å; I519-V584 HydrophobicContact CG1-CG2 3.97Å; I519-V584 HydrophobicContact CG2-CG2 4.17Å |
| 520 | E | 91.1 | Very high | 87.8 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.9 | -176.4 | 178.9 | 172.5 | 162.6 | 0 | 0 | 110.1 | G523 R526 I582 E583 | E520-G523 WeakPolarHBondContact OE1-CA 3.42Å; E520-R526 IonicContact OE1-CZ 2.69Å; E520-R526 IonicContact OE1-NE 2.76Å; E520-R526 IonicContact OE1-NH2 3.67Å; E520-R526 PolarHBondContact OE1-NH2 3.12Å; E520-R526 IonicContact OE2-NH2 2.77Å; E520-I582 CarbonylContact O-C 3.57Å; E520-I582 WeakPolarHBondContact O-CA 3.27Å; E520-E583 HydrophobicContact CB-CB 4.44Å; E520-E583 PolarHBondContact N-O 2.72Å; E520-E583 PolarHBondContact O-N 3.2Å |
| 521 | A | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G523 S532 V534 F536 V581 I582 | A521-G523 VanDerWaalsContact C-N 3.31Å; A521-S532 PolarHBondContact O-OG 2.96Å; A521-S532 VanDerWaalsContact O-OG 3.09Å; A521-V534 HydrophobicContact CB-CG2 3.34Å; A521-F536 HydrophobicContact CB-CE2 3.9Å; A521-F536 HydrophobicContact CB-CZ 3.96Å; A521-V581 WeakPolarHBondContact CA-O 3.5Å; A521-I582 HydrophobicContact CB-CD1 3.66Å |
| 522 | D | 89.6 | Confident | 87.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 58.4 | 37.2 | -172.9 | -89.6 | -13.5 | 0 | 0 | 0 | 112.5 | R525 R526 R533 V581 | D522-R525 HydrophobicContact CB-CB 3.97Å; D522-R525 HydrophobicContact CB-CG 4.41Å; D522-R525 VanDerWaalsContact CG-CD 3.42Å; D522-R525 WeakPolarHBondContact O-CB 3.38Å; D522-R525 PolarHBondContact O-N 3.33Å; D522-R525 WeakPolarHBondContact OD2-CD 3.32Å; D522-R525 IonicContact OD2-NE 2.66Å; D522-R526 WeakPolarHBondContact O-CG 3.25Å; D522-R526 PolarHBondContact O-N 3.05Å; D522-R533 IonicContact OD1-CZ 3.65Å; D522-R533 IonicContact OD1-NE 3.12Å; D522-R533 IonicContact OD1-NH2 3.33Å; D522-R533 PolarHBondContact OD1-NH2 3.02Å; D522-R533 WeakPolarHBondContact OD2-CB 3.47Å; D522-R533 WeakPolarHBondContact OD2-CG 3.5Å; D522-R533 IonicContact OD2-CZ 2.8Å; D522-R533 PolarHBondContact OD2-N 3.09Å; D522-R533 IonicContact OD2-NE 2.77Å; D522-R533 PolarHBondContact OD2-NE 2.86Å; D522-R533 IonicContact OD2-NH2 3.98Å; D522-V581 PolarHBondContact N-O 3.33Å |
| 523 | G | 84.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -56.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E520 A521 R525 R526 K527 E583 | E520-G523 WeakPolarHBondContact OE1-CA 3.42Å; A521-G523 VanDerWaalsContact C-N 3.31Å; G523-R525 PolarHBondContact O-N 3.29Å; G523-R526 PolarHBondContact O-N 3.31Å; G523-R526 VanDerWaalsContact O-N 3.07Å; G523-K527 PolarHBondContact O-N 3.32Å; G523-K527 VanDerWaalsContact O-N 3.17Å; G523-E583 WeakPolarHBondContact CA-OE1 3.33Å; G523-E583 PolarHBondContact N-OE1 2.92Å |
| 524 | E | 84.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 45.2 Ų | 45.2 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.4 | -35.5 | 171.6 | -77 | -57 | 132.9 | 0 | 0 | 113.5 | R526 K527 Q528 E583 | E524-R526 VanDerWaalsContact C-N 3.33Å; E524-R526 PolarHBondContact O-N 2.82Å; E524-K527 PolarHBondContact O-N 3.01Å; E524-K527 WeakPolarHBondContact OE1-CD 3.48Å; E524-K527 WeakPolarHBondContact OE1-CE 3.19Å; E524-K527 IonicContact OE1-NZ 3.16Å; E524-K527 PolarHBondContact OE1-NZ 2.81Å; E524-Q528 WeakPolarHBondContact O-CG 3.21Å; E524-Q528 PolarHBondContact O-N 2.88Å; E524-E583 PolarHBondContact N-OE1 2.67Å; E524-E583 VanDerWaalsContact N-OE1 3.13Å |
| 525 | R | 85.6 | Confident | 87 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.6 | 174.1 | -172.1 | -165.6 | 85.8 | 4.4 | 111.3 | D522 G523 Q528 L530 N531 D575 | D522-R525 HydrophobicContact CB-CB 3.97Å; D522-R525 HydrophobicContact CB-CG 4.41Å; D522-R525 VanDerWaalsContact CG-CD 3.42Å; D522-R525 WeakPolarHBondContact O-CB 3.38Å; D522-R525 PolarHBondContact O-N 3.33Å; D522-R525 WeakPolarHBondContact OD2-CD 3.32Å; D522-R525 IonicContact OD2-NE 2.66Å; G523-R525 PolarHBondContact O-N 3.29Å; R525-Q528 WeakPolarHBondContact O-CB 3.19Å; R525-Q528 PolarHBondContact O-N 3Å; R525-L530 HydrophobicContact CG-CB 3.58Å; R525-L530 HydrophobicContact CG-CD1 4.25Å; R525-L530 WeakPolarHBondContact O-CB 3.49Å; R525-L530 PolarHBondContact O-N 3.23Å; R525-N531 WeakPolarHBondContact CD-O 3.48Å; R525-N531 PolarHBondContact NE-O 3.47Å; R525-D575 IonicContact CZ-OD2 3.65Å; R525-D575 IonicContact NH1-OD2 2.82Å; R525-D575 PolarHBondContact NH1-OD2 3.24Å; R525-D575 IonicContact NH2-OD2 3.7Å |
| 526 | R | 83.9 | Confident | 86.6 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -35.4 | 176 | -64.7 | -169.5 | -53.4 | 147.2 | 0.9 | 113 | E520 D522 G523 E524 Q528 G529 L530 | E520-R526 IonicContact OE1-CZ 2.69Å; E520-R526 IonicContact OE1-NE 2.76Å; E520-R526 IonicContact OE1-NH2 3.67Å; E520-R526 PolarHBondContact OE1-NH2 3.12Å; E520-R526 IonicContact OE2-NH2 2.77Å; D522-R526 WeakPolarHBondContact O-CG 3.25Å; D522-R526 PolarHBondContact O-N 3.05Å; G523-R526 PolarHBondContact O-N 3.31Å; G523-R526 VanDerWaalsContact O-N 3.07Å; E524-R526 VanDerWaalsContact C-N 3.33Å; E524-R526 PolarHBondContact O-N 2.82Å; R526-Q528 PolarHBondContact O-N 3.44Å; R526-G529 PolarHBondContact O-N 2.93Å; R526-L530 WeakPolarHBondContact CA-O 3.33Å |
| 527 | K | 84.9 | Confident | 85.8 | Confident | 126 Ų | 126 | 46.5 Ų | 46.5 | 55% | 0.548 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -26.2 | 174.3 | -62.1 | 169.5 | -155 | 166.5 | 0 | 111.8 | G523 E524 G529 | G523-K527 PolarHBondContact O-N 3.32Å; G523-K527 VanDerWaalsContact O-N 3.17Å; E524-K527 PolarHBondContact O-N 3.01Å; E524-K527 WeakPolarHBondContact OE1-CD 3.48Å; E524-K527 WeakPolarHBondContact OE1-CE 3.19Å; E524-K527 IonicContact OE1-NZ 3.16Å; E524-K527 PolarHBondContact OE1-NZ 2.81Å; K527-G529 VanDerWaalsContact C-N 3.29Å; K527-G529 PolarHBondContact O-N 3.4Å |
| 528 | Q | 81.5 | Confident | 84.6 | Confident | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8 | 172.4 | -61.8 | 169.3 | 19.6 | 0 | 0 | 113.8 | E524 R525 R526 L530 | E524-Q528 WeakPolarHBondContact O-CG 3.21Å; E524-Q528 PolarHBondContact O-N 2.88Å; R525-Q528 WeakPolarHBondContact O-CB 3.19Å; R525-Q528 PolarHBondContact O-N 3Å; R526-Q528 PolarHBondContact O-N 3.44Å; Q528-L530 VanDerWaalsContact C-N 3.31Å; Q528-L530 PolarHBondContact O-N 3.39Å |
| 529 | G | 79.9 | Confident | 82.8 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 9.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | R526 K527 | R526-G529 PolarHBondContact O-N 2.93Å; K527-G529 VanDerWaalsContact C-N 3.29Å; K527-G529 PolarHBondContact O-N 3.4Å |
| 530 | L | 80.9 | Confident | 81 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 138.8 | -179.5 | -62.5 | 172.8 | 0 | 0 | 0 | 111.2 | R525 R526 Q528 S532 | R525-L530 HydrophobicContact CG-CB 3.58Å; R525-L530 HydrophobicContact CG-CD1 4.25Å; R525-L530 WeakPolarHBondContact O-CB 3.49Å; R525-L530 PolarHBondContact O-N 3.23Å; R526-L530 WeakPolarHBondContact CA-O 3.33Å; Q528-L530 VanDerWaalsContact C-N 3.31Å; Q528-L530 PolarHBondContact O-N 3.39Å; L530-S532 PolarHBondContact O-N 3.33Å |
| 531 | N | 82.3 | Confident | 79 | Confident | 144 Ų | 144 | 68.1 Ų | 68.1 | 77% | 0.77 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 136.1 | 177.6 | -70.9 | -17.9 | 0 | 0 | 0 | 111.8 | R525 | R525-N531 WeakPolarHBondContact CD-O 3.48Å; R525-N531 PolarHBondContact NE-O 3.47Å |
| 532 | S | 84.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 135.7 | 170 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | A521 L530 V534 K570 | A521-S532 PolarHBondContact O-OG 2.96Å; A521-S532 VanDerWaalsContact O-OG 3.09Å; L530-S532 PolarHBondContact O-N 3.33Å; S532-V534 VanDerWaalsContact C-N 3.34Å; S532-K570 WeakPolarHBondContact O-CD 3.28Å; S532-K570 PolarHBondContact O-NZ 3.31Å |
| 533 | R | 88.1 | Confident | 75.2 | Confident | 11 Ų | 11 | 83 Ų | 83 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -82.2 | -7.2 | -172.6 | -69.9 | 170.8 | -70.4 | 170.9 | 3.4 | 114.5 | D522 K570 I573 D575 R578 S579 | D522-R533 IonicContact OD1-CZ 3.65Å; D522-R533 IonicContact OD1-NE 3.12Å; D522-R533 IonicContact OD1-NH2 3.33Å; D522-R533 PolarHBondContact OD1-NH2 3.02Å; D522-R533 WeakPolarHBondContact OD2-CB 3.47Å; D522-R533 WeakPolarHBondContact OD2-CG 3.5Å; D522-R533 IonicContact OD2-CZ 2.8Å; D522-R533 PolarHBondContact OD2-N 3.09Å; D522-R533 IonicContact OD2-NE 2.77Å; D522-R533 PolarHBondContact OD2-NE 2.86Å; D522-R533 IonicContact OD2-NH2 3.98Å; R533-K570 WeakPolarHBondContact O-CB 3.48Å; R533-K570 PolarHBondContact O-N 3.08Å; R533-I573 HydrophobicContact CB-CD1 3.86Å; R533-I573 HydrophobicContact CB-CG1 4.17Å; R533-I573 HydrophobicContact CG-CD1 4.35Å; R533-I573 HydrophobicContact CG-CG1 4.2Å; R533-I573 HydrophobicContact CG-CG2 3.86Å; R533-I573 WeakPolarHBondContact O-CD1 3.44Å; R533-D575 VanDerWaalsContact CD-O 3.27Å; R533-D575 WeakPolarHBondContact CD-O 3.37Å; R533-D575 PolarHBondContact NH1-O 2.81Å; R533-D575 IonicContact NH1-OD1 3.77Å; R533-D575 IonicContact NH1-OD2 3.61Å; R533-R578 PolarHBondContact NH1-O 3.36Å; R533-S579 PolarHBondContact NH2-O 3.09Å |
| 534 | V | 87.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 167.1 | -175.3 | -65 | 0 | 0 | 0 | 0 | 112.8 | F496 A521 S532 V567 G568 L569 K570 V580 | F496-V534 HydrophobicContact CE1-CG1 3.98Å; F496-V534 HydrophobicContact CZ-CG1 4.12Å; A521-V534 HydrophobicContact CB-CG2 3.34Å; S532-V534 VanDerWaalsContact C-N 3.34Å; V534-V567 HydrophobicContact CB-CG1 3.6Å; V534-V567 HydrophobicContact CG1-CG1 4Å; V534-V567 HydrophobicContact CG2-CG1 3.83Å; V534-G568 CarbonylContact C-O 3.53Å; V534-G568 WeakPolarHBondContact CA-O 3.28Å; V534-G568 VanDerWaalsContact CB-O 3.29Å; V534-G568 WeakPolarHBondContact CB-O 3.36Å; V534-L569 HydrophobicContact CG1-CD1 4.11Å; V534-K570 WeakPolarHBondContact O-CE 3.35Å; V534-K570 PolarHBondContact O-NZ 3.45Å; V534-V580 HydrophobicContact CG1-CG1 4.02Å; V534-V580 HydrophobicContact CG1-CG2 4.39Å; V534-V580 HydrophobicContact CG2-CG1 4.22Å |
| 535 | I | 85.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.7 | 170.6 | 52 | 177.7 | 0 | 0 | 0 | 109.9 | L537 D545 V567 G568 K570 | I535-L537 HydrophobicContact CD1-CD2 3.79Å; I535-L537 HydrophobicContact CG1-CD2 3.97Å; I535-D545 WeakPolarHBondContact CA-O 3.33Å; I535-D545 HydrophobicContact CB-CB 4.5Å; I535-V567 CarbonylContact O-C 3.57Å; I535-V567 WeakPolarHBondContact O-CA 3.23Å; I535-G568 PolarHBondContact N-O 3.3Å; I535-G568 PolarHBondContact O-N 3.17Å; I535-K570 HydrophobicContact CG2-CD 4.32Å; I535-K570 HydrophobicContact CG2-CG 4.04Å |
| 536 | F | 84.3 | Confident | 71.8 | Confident | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.009 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.3 | 170.8 | -73 | -91.1 | 0 | 0 | 0 | 110 | I519 A521 T538 D545 I546 F548 I565 V567 | I519-F536 HydrophobicContact CB-CE1 4.46Å; I519-F536 HydrophobicContact CG2-CE1 3.76Å; I519-F536 HydrophobicContact CG2-CZ 3.95Å; I519-F536 WeakPolarHBondContact O-CZ 3.46Å; A521-F536 HydrophobicContact CB-CE2 3.9Å; A521-F536 HydrophobicContact CB-CZ 3.96Å; F536-T538 VanDerWaalsContact C-N 3.3Å; F536-T538 PolarHBondContact O-N 2.74Å; F536-D545 HydrophobicContact CB-CB 4.34Å; F536-D545 PolarHBondContact N-O 3.01Å; F536-I546 WeakPolarHBondContact CE2-O 3.29Å; F536-F548 HydrophobicContact CD1-CB 3.76Å; F536-F548 HydrophobicContact CE1-CB 4.08Å; F536-F548 HydrophobicContact CG-CB 4.1Å; F536-I565 HydrophobicContact CD1-CG2 3.92Å; F536-V567 HydrophobicContact CD1-CG2 3.75Å; F536-V567 HydrophobicContact CE1-CG2 3.7Å; F536-V567 HydrophobicContact CZ-CG2 4.45Å |
| 537 | L | 77.1 | Confident | 71.6 | Confident | 69 Ų | 69 | 83 Ų | 83 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | trans | -81.3 | 73.4 | -172.4 | -62.6 | 174.5 | 0 | 0 | 0 | 111.3 | C495 I535 N566 | C495-L537 HydrophobicContact CB-CD1 4.17Å; I535-L537 HydrophobicContact CD1-CD2 3.79Å; I535-L537 HydrophobicContact CG1-CD2 3.97Å; L537-N566 HydrophobicContact CB-CB 4.31Å; L537-N566 WeakPolarHBondContact CB-O 3.46Å; L537-N566 HydrophobicContact CD1-CB 4.38Å; L537-N566 PolarHBondContact N-O 3.17Å | ||
| 538 | T | 67.4 | Low | 71.6 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | trans | -84.4 | 154.7 | 174.1 | 79.3 | 0 | 0 | 0 | 0 | 111.7 | F536 T540 F548 | F536-T538 VanDerWaalsContact C-N 3.3Å; F536-T538 PolarHBondContact O-N 2.74Å; T538-T540 VanDerWaalsContact C-N 3.28Å; T538-T540 PolarHBondContact O-N 2.85Å; T538-F548 HydrophobicContact CG2-CD2 3.9Å; T538-F548 HydrophobicContact CG2-CE2 3.98Å | ||
| 539 | K | 55.6 | Low | 71.9 | Confident | 215 Ų | 215 | 78.1 Ų | 78.1 | 94% | 0.935 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -82 | 8.6 | -174.9 | -72.8 | -169.8 | 174.3 | -176.3 | 0 | 115 | ||
| 540 | T | 53.2 | Low | 72.4 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -128.4 | -54.9 | -164.1 | 38.4 | 0 | 0 | 0 | 0 | 116.8 | T538 | T538-T540 VanDerWaalsContact C-N 3.28Å; T538-T540 PolarHBondContact O-N 2.85Å |
| 541 | H | 48.7 | Very low | 72.9 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 63% | 0.634 | 41% | 0.407 | S | S | * | . | trans | -141.3 | 110.9 | -169.6 | -72.8 | -14.8 | 0 | 0 | 0 | 112.9 | E543 S544 | H541-E543 VanDerWaalsContact C-N 3.29Å; H541-E543 PolarHBondContact O-N 3.31Å; H541-E543 VanDerWaalsContact O-N 3.16Å; H541-S544 PolarHBondContact O-OG 2.74Å | ||
| 542 | P | 51.8 | Low | 73.4 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -1.5 | -172.7 | -21.7 | 34.3 | 0 | 0 | 0 | 118 | D545 | P542-D545 WeakPolarHBondContact CA-OD2 3.39Š|
| 543 | E | 48.1 | Very low | 73.6 | Confident | 198 Ų | 198 | 73.8 Ų | 73.8 | 93% | 0.925 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 2.7 | -166.6 | -62.7 | -167.8 | 142.8 | 0 | 0 | 114.4 | H541 | H541-E543 VanDerWaalsContact C-N 3.29Å; H541-E543 PolarHBondContact O-N 3.31Å; H541-E543 VanDerWaalsContact O-N 3.16Å |
| 544 | S | 53 | Low | 73.8 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -105.8 | -7.4 | -179 | 40 | 0 | 0 | 0 | 0 | 115.4 | H541 I546 | H541-S544 PolarHBondContact O-OG 2.74Å; S544-I546 PolarHBondContact O-N 2.9Å |
| 545 | D | 62.4 | Low | 73.8 | Confident | 22 Ų | 22 | 77 Ų | 77 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 55.5 | -139 | -60.3 | -19.4 | 0 | 0 | 0 | 115.5 | I535 F536 P542 | I535-D545 WeakPolarHBondContact CA-O 3.33Å; I535-D545 HydrophobicContact CB-CB 4.5Å; F536-D545 HydrophobicContact CB-CB 4.34Å; F536-D545 PolarHBondContact N-O 3.01Å; P542-D545 WeakPolarHBondContact CA-OD2 3.39Å |
| 546 | I | 68.6 | Low | 74 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -15.2 | 172.3 | -51.8 | 179.8 | 0 | 0 | 0 | 112.1 | F536 S544 | F536-I546 WeakPolarHBondContact CE2-O 3.29Å; S544-I546 PolarHBondContact O-N 2.9Å |
| 547 | Q | 78 | Confident | 74.2 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 36% | 0.36 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 124.5 | -179.8 | -178.5 | -174.7 | -5.5 | 0 | 0 | 109.1 | S518 I519 N549 | S518-Q547 PolarHBondContact OG-NE2 3.37Å; I519-Q547 CarbonylContact O-C 3.56Å; I519-Q547 WeakPolarHBondContact O-CA 3.27Å; Q547-N549 PolarHBondContact NE2-ND2 2.76Å; Q547-N549 PolarHBondContact NE2-OD1 2.81Å |
| 548 | F | 85.3 | Confident | 74.7 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.4 | 174.7 | -175.3 | -85 | 0 | 0 | 0 | 110.2 | Y517 I519 F536 T538 I565 | Y517-F548 HydrophobicContact CE2-CD1 4.07Å; Y517-F548 AromaticContact CE2-CE1 3.93Å; Y517-F548 HydrophobicContact CE2-CE1 3.93Å; I519-F548 HydrophobicContact CB-CB 4.46Å; I519-F548 PolarHBondContact N-O 3.26Å; I519-F548 PolarHBondContact O-N 3.44Å; F536-F548 HydrophobicContact CD1-CB 3.76Å; F536-F548 HydrophobicContact CE1-CB 4.08Å; F536-F548 HydrophobicContact CG-CB 4.1Å; T538-F548 HydrophobicContact CG2-CD2 3.9Å; T538-F548 HydrophobicContact CG2-CE2 3.98Å; F548-I565 HydrophobicContact CD1-CD1 3.38Å; F548-I565 HydrophobicContact CD1-CG1 4.1Å; F548-I565 HydrophobicContact CD2-CG1 4.48Å; F548-I565 HydrophobicContact CD2-CG2 4.36Å; F548-I565 HydrophobicContact CE1-CD1 3.57Å; F548-I565 HydrophobicContact CE1-CG1 4Å; F548-I565 HydrophobicContact CE2-CG1 4.39Å; F548-I565 HydrophobicContact CG-CD1 3.89Å; F548-I565 HydrophobicContact CG-CG1 4.34Å; F548-I565 HydrophobicContact CZ-CD1 4.23Å; F548-I565 HydrophobicContact CZ-CG1 4.15Å |
| 549 | N | 88.9 | Confident | 75.7 | Confident | 93 Ų | 93 | 79.9 Ų | 79.9 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.5 | 179.7 | -69.1 | -31.2 | 0 | 0 | 0 | 110.8 | Y517 S518 Q547 | Y517-N549 WeakPolarHBondContact O-CA 3.42Å; S518-N549 WeakPolarHBondContact CA-OD1 3.19Å; S518-N549 WeakPolarHBondContact CB-OD1 3.48Å; S518-N549 PolarHBondContact OG-OD1 2.85Å; Q547-N549 PolarHBondContact NE2-ND2 2.76Å; Q547-N549 PolarHBondContact NE2-OD1 2.81Å |
| 550 | G | 88.9 | Confident | 77.3 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S516 Y517 | S516-G550 CarbonylContact C-O 3.5Å; S516-G550 WeakPolarHBondContact CA-O 3.18Å; S516-G550 PolarHBondContact OG-O 2.96Å; Y517-G550 WeakPolarHBondContact CD1-O 3.49Å; Y517-G550 PolarHBondContact N-O 2.99Å; Y517-G550 PolarHBondContact O-N 3.04Å |
| 551 | T | 92.3 | Very high | 79.2 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 57% | 0.571 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.7 | 179.8 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | I515 I589 | I515-T551 CarbonylContact O-C 3.38Å; I515-T551 VanDerWaalsContact O-CA 3.3Å; I515-T551 WeakPolarHBondContact O-CA 3.15Å; T551-I589 HydrophobicContact CG2-CD1 3.59Å |
| 552 | L | 91.7 | Very high | 81.4 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 143.3 | -171.5 | -158.9 | 66.1 | 0 | 0 | 0 | 110.1 | F502 T514 I515 Y517 L554 Q561 V563 | F502-L552 HydrophobicContact CB-CD2 4.09Å; F502-L552 HydrophobicContact CD2-CD2 3.57Å; F502-L552 HydrophobicContact CE2-CD2 4.4Å; F502-L552 HydrophobicContact CG-CD2 4.17Å; T514-L552 CarbonylContact C-O 3.6Å; T514-L552 WeakPolarHBondContact CA-O 3.48Å; T514-L552 WeakPolarHBondContact CG2-O 3.46Å; I515-L552 HydrophobicContact CD1-CB 4.36Å; I515-L552 HydrophobicContact CD1-CD2 4.32Å; I515-L552 HydrophobicContact CG1-CB 3.84Å; I515-L552 PolarHBondContact N-O 2.81Å; I515-L552 PolarHBondContact O-N 2.9Å; Y517-L552 HydrophobicContact CD1-CB 4.09Å; Y517-L552 HydrophobicContact CE1-CB 4.09Å; L552-L554 HydrophobicContact CD2-CD2 4.26Å; L552-Q561 HydrophobicContact CD1-CB 4.02Å; L552-Q561 VanDerWaalsContact CD1-OE1 3.26Å; L552-Q561 HydrophobicContact CD2-CB 3.85Å; L552-Q561 HydrophobicContact CG-CB 4.03Å; L552-Q561 VanDerWaalsContact CG-OE1 3.3Å; L552-V563 HydrophobicContact CD1-CG2 4.13Å |
| 553 | E | 91.1 | Very high | 83.4 | Confident | 69 Ų | 69 | 63 Ų | 63 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 98.3 | -178.8 | -167 | -169.6 | 164.7 | 0 | 0 | 111.4 | R512 Q555 Q561 | R512-E553 WeakPolarHBondContact CD-OE1 3.41Å; R512-E553 IonicContact CZ-OE1 3.97Å; R512-E553 IonicContact NH1-OE1 3.22Å; R512-E553 PolarHBondContact NH1-OE1 2.94Å; E553-Q555 PolarHBondContact O-N 3.02Å; E553-Q555 PolarHBondContact O-NE2 2.95Å; E553-Q555 PolarHBondContact OE1-NE2 2.84Å; E553-Q561 PolarHBondContact O-NE2 3.3Å; E553-Q561 PolarHBondContact O-OE1 3.01Å |
| 554 | L | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 111.2 | 177.3 | -56.5 | 179.5 | 0 | 0 | 0 | 109.1 | F502 Y504 L513 I515 L552 Q561 | F502-L554 WeakPolarHBondContact O-CD2 3.21Å; Y504-L554 HydrophobicContact CD1-CB 3.84Å; Y504-L554 HydrophobicContact CD1-CD1 3.95Å; Y504-L554 HydrophobicContact CE1-CB 4.08Å; L513-L554 PolarHBondContact N-O 2.83Å; L513-L554 PolarHBondContact O-N 2.88Å; I515-L554 HydrophobicContact CD1-CD1 4.12Å; L552-L554 HydrophobicContact CD2-CD2 4.26Å; L554-Q561 HydrophobicContact CD2-CB 4.13Å; L554-Q561 HydrophobicContact CD2-CG 4.4Å |
| 555 | Q | 87.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | -69.6 | -41.2 | -166.8 | -65.8 | -61.3 | -51 | 0 | 0 | 113.7 | R512 E553 | R512-Q555 WeakPolarHBondContact CA-O 3.22Å; R512-Q555 VanDerWaalsContact CG-O 3.24Å; R512-Q555 WeakPolarHBondContact CG-O 3.31Å; E553-Q555 PolarHBondContact O-N 3.02Å; E553-Q555 PolarHBondContact O-NE2 2.95Å; E553-Q555 PolarHBondContact OE1-NE2 2.84Å | ||
| 556 | N | 88.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -152.5 | 169.4 | -177.3 | 62 | -84 | 0 | 0 | 0 | 109.9 | A559 | N556-A559 WeakPolarHBondContact O-CB 3.34Å; N556-A559 PolarHBondContact O-N 2.85Å |
| 557 | Q | 89.1 | Confident | 89.3 | Confident | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 144 | -179.1 | -152.9 | -174.1 | 123.6 | 0 | 0 | 111.7 | Y504 A506 Y509 N510 A559 | Y504-Q557 HydrophobicContact CD2-CG 3.93Å; Y504-Q557 HydrophobicContact CE2-CB 3.89Å; Y504-Q557 HydrophobicContact CE2-CG 3.69Å; Y504-Q557 VanDerWaalsContact O-CG 3.23Å; Y504-Q557 WeakPolarHBondContact O-CG 3.48Å; Y504-Q557 PolarHBondContact OH-N 2.96Å; A506-Q557 VanDerWaalsContact N-CD 3.27Å; A506-Q557 PolarHBondContact O-NE2 3.25Å; A506-Q557 PolarHBondContact O-OE1 2.89Å; Y509-Q557 PolarHBondContact O-NE2 2.97Å; N510-Q557 PolarHBondContact OD1-N 3.07Å; Q557-A559 PolarHBondContact O-N 2.85Å |
| 558 | N | 87.8 | Confident | 89.6 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -13.9 | -172.1 | -60.8 | -75.4 | 0 | 0 | 0 | 116.9 | N503 Y504 T505 G560 | N503-N558 PolarHBondContact ND2-O 2.88Å; Y504-N558 PolarHBondContact O-N 3.25Å; T505-N558 VanDerWaalsContact CG2-OD1 3.24Å; T505-N558 WeakPolarHBondContact CG2-OD1 3.4Å; N558-G560 PolarHBondContact O-N 2.79Å |
| 559 | A | 88.3 | Confident | 89.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | trans | -64.9 | 117.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N503 N556 Q557 | N503-A559 WeakPolarHBondContact CB-O 3.41Å; N556-A559 WeakPolarHBondContact O-CB 3.34Å; N556-A559 PolarHBondContact O-N 2.85Å; Q557-A559 PolarHBondContact O-N 2.85Å | ||
| 560 | G | 88.4 | Confident | 89.2 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | trans | -91.8 | 141.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | F502 N558 | F502-G560 WeakPolarHBondContact O-CA 3.27Å; N558-G560 PolarHBondContact O-N 2.79Å | ||
| 561 | Q | 93.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.3 | 165.4 | -72.8 | 179.8 | 0.3 | 0 | 0 | 109.4 | C501 F502 L552 E553 L554 | C501-Q561 WeakPolarHBondContact CA-O 3.45Å; F502-Q561 PolarHBondContact N-O 2.91Å; F502-Q561 PolarHBondContact O-N 3.45Å; L552-Q561 HydrophobicContact CD1-CB 4.02Å; L552-Q561 VanDerWaalsContact CD1-OE1 3.26Å; L552-Q561 HydrophobicContact CD2-CB 3.85Å; L552-Q561 HydrophobicContact CG-CB 4.03Å; L552-Q561 VanDerWaalsContact CG-OE1 3.3Å; E553-Q561 PolarHBondContact O-NE2 3.3Å; E553-Q561 PolarHBondContact O-OE1 3.01Å; L554-Q561 HydrophobicContact CD2-CB 4.13Å; L554-Q561 HydrophobicContact CD2-CG 4.4Å |
| 562 | C | 94.2 | Very high | 87.5 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.3 | -177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | T499 A500 C501 | T499-C562 HydrophobicContact CG2-CB 4.32Å; A500-C562 CarbonylContact O-C 3.58Å; A500-C562 VanDerWaalsContact O-CA 3.28Å; A500-C562 WeakPolarHBondContact O-CA 3.29Å; C501-C562 HydrophobicContact CB-CB 4.07Å; C501-C562 WeakPolarHBondContact CB-SG 3.37Å; C501-C562 WeakPolarHBondContact SG-CB 3.31Å; C501-C562 CovalentContact SG-SG 2.04Å; C501-C562 PolarHBondContact SG-SG 2.8Å |
| 563 | V | 93.4 | Very high | 86.7 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.7 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | T499 A500 Y517 L552 I565 | T499-V563 WeakPolarHBondContact CA-O 3.37Å; A500-V563 PolarHBondContact N-O 2.99Å; A500-V563 PolarHBondContact O-N 3.37Å; Y517-V563 HydrophobicContact CE1-CG2 4.16Å; L552-V563 HydrophobicContact CD1-CG2 4.13Å; V563-I565 HydrophobicContact CG1-CD1 3.88Å; V563-I565 HydrophobicContact CG1-CG1 4.14Å |
| 564 | S | 91.9 | Very high | 85.7 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.5 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | V498 T499 | V498-S564 CarbonylContact O-C 3.55Å; V498-S564 VanDerWaalsContact O-CA 3.29Å; V498-S564 WeakPolarHBondContact O-CA 3.23Å; T499-S564 WeakPolarHBondContact CG2-OG 3.3Å; T499-S564 PolarHBondContact OG1-OG 2.71Å |
| 565 | I | 89.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.2 | -176.7 | -60.7 | 131.4 | 0 | 0 | 0 | 109.3 | V498 I519 F536 F548 V563 | V498-I565 PolarHBondContact N-O 3.1Å; V498-I565 PolarHBondContact O-N 2.82Å; I519-I565 HydrophobicContact CD1-CD1 3.4Å; I519-I565 VanDerWaalsContact CD1-CD1 3.4Å; F536-I565 HydrophobicContact CD1-CG2 3.92Å; F548-I565 HydrophobicContact CD1-CD1 3.38Å; F548-I565 HydrophobicContact CD1-CG1 4.1Å; F548-I565 HydrophobicContact CD2-CG1 4.48Å; F548-I565 HydrophobicContact CD2-CG2 4.36Å; F548-I565 HydrophobicContact CE1-CD1 3.57Å; F548-I565 HydrophobicContact CE1-CG1 4Å; F548-I565 HydrophobicContact CE2-CG1 4.39Å; F548-I565 HydrophobicContact CG-CD1 3.89Å; F548-I565 HydrophobicContact CG-CG1 4.34Å; F548-I565 HydrophobicContact CZ-CD1 4.23Å; F548-I565 HydrophobicContact CZ-CG1 4.15Å; V563-I565 HydrophobicContact CG1-CD1 3.88Å; V563-I565 HydrophobicContact CG1-CG1 4.14Å |
| 566 | N | 87.6 | Confident | 84.2 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 135.3 | 175.2 | -67 | 9.8 | 0 | 0 | 0 | 110.3 | T497 L537 | T497-N566 PolarHBondContact OG1-OD1 3.4Å; L537-N566 HydrophobicContact CB-CB 4.31Å; L537-N566 WeakPolarHBondContact CB-O 3.46Å; L537-N566 HydrophobicContact CD1-CB 4.38Å; L537-N566 PolarHBondContact N-O 3.17Å |
| 567 | V | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.3 | -179 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | C495 F496 V498 V534 I535 F536 | C495-V567 CarbonylContact C-O 3.57Å; C495-V567 VanDerWaalsContact CA-O 3.3Å; C495-V567 WeakPolarHBondContact CA-O 3.27Å; F496-V567 HydrophobicContact CD2-CB 3.95Å; F496-V567 HydrophobicContact CD2-CG1 4.5Å; F496-V567 HydrophobicContact CE1-CB 4.32Å; F496-V567 HydrophobicContact CE1-CG1 3.96Å; F496-V567 HydrophobicContact CE2-CB 3.59Å; F496-V567 HydrophobicContact CE2-CG1 3.74Å; F496-V567 HydrophobicContact CE2-CG2 4.1Å; F496-V567 HydrophobicContact CG-CB 4.48Å; F496-V567 HydrophobicContact CZ-CB 3.8Å; F496-V567 HydrophobicContact CZ-CG1 3.43Å; F496-V567 VanDerWaalsContact CZ-CG1 3.43Å; F496-V567 PolarHBondContact N-O 3.44Å; F496-V567 PolarHBondContact O-N 3.15Å; V498-V567 HydrophobicContact CB-CG2 4.47Å; V498-V567 HydrophobicContact CG2-CG2 3.74Å; V534-V567 HydrophobicContact CB-CG1 3.6Å; V534-V567 HydrophobicContact CG1-CG1 4Å; V534-V567 HydrophobicContact CG2-CG1 3.83Å; I535-V567 CarbonylContact O-C 3.57Å; I535-V567 WeakPolarHBondContact O-CA 3.23Å; F536-V567 HydrophobicContact CD1-CG2 3.75Å; F536-V567 HydrophobicContact CE1-CG2 3.7Å; F536-V567 HydrophobicContact CZ-CG2 4.45Å |
| 568 | G | 85 | Confident | 82.7 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | F494 V534 I535 | F494-G568 CarbonylContact O-C 3.4Å; F494-G568 WeakPolarHBondContact O-CA 3.22Å; V534-G568 CarbonylContact C-O 3.53Å; V534-G568 WeakPolarHBondContact CA-O 3.28Å; V534-G568 VanDerWaalsContact CB-O 3.29Å; V534-G568 WeakPolarHBondContact CB-O 3.36Å; I535-G568 PolarHBondContact N-O 3.3Å; I535-G568 PolarHBondContact O-N 3.17Å |
| 569 | L | 84.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.1 | 173.2 | -166 | 70 | 0 | 0 | 0 | 110.2 | I484 L486 F494 V534 I573 F621 | I484-L569 HydrophobicContact CG2-CD2 4.33Å; L486-L569 HydrophobicContact CD2-CD2 3.77Å; F494-L569 HydrophobicContact CB-CB 3.91Å; F494-L569 HydrophobicContact CB-CD2 4.05Å; F494-L569 HydrophobicContact CD2-CD2 4.1Å; F494-L569 HydrophobicContact CG-CD2 4.38Å; F494-L569 WeakPolarHBondContact O-CB 3.48Å; F494-L569 PolarHBondContact O-N 3.22Å; V534-L569 HydrophobicContact CG1-CD1 4.11Å; L569-I573 HydrophobicContact CD1-CD1 3.35Å; L569-I573 HydrophobicContact CD2-CD1 4.11Å; L569-I573 HydrophobicContact CG-CD1 3.45Å; L569-I573 VanDerWaalsContact CG-CD1 3.45Å; L569-F621 HydrophobicContact CD1-CE1 3.8Å; L569-F621 HydrophobicContact CD1-CZ 3.87Å; L569-F621 HydrophobicContact CD2-CE1 4Å |
| 570 | K | 81.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 30% | 0.3 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 152.2 | 175.1 | -69.8 | 176.3 | -176.9 | 154 | 0 | 112.1 | S532 R533 V534 I535 I573 | S532-K570 WeakPolarHBondContact O-CD 3.28Å; S532-K570 PolarHBondContact O-NZ 3.31Å; R533-K570 WeakPolarHBondContact O-CB 3.48Å; R533-K570 PolarHBondContact O-N 3.08Å; V534-K570 WeakPolarHBondContact O-CE 3.35Å; V534-K570 PolarHBondContact O-NZ 3.45Å; I535-K570 HydrophobicContact CG2-CD 4.32Å; I535-K570 HydrophobicContact CG2-CG 4.04Å; K570-I573 HydrophobicContact CB-CD1 4.42Å; K570-I573 HydrophobicContact CB-CG1 4.41Å; K570-I573 WeakPolarHBondContact O-CD1 3.1Å; K570-I573 WeakPolarHBondContact O-CG1 3.47Å |
| 571 | D | 73.6 | Confident | 82.6 | Confident | 136 Ų | 136 | 57.1 Ų | 57.1 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 157.1 | 170.1 | -63 | -54.7 | 0 | 0 | 0 | 112.7 | I573 | D571-I573 VanDerWaalsContact C-N 3.27Å; D571-I573 PolarHBondContact O-N 2.92Å; D571-I573 VanDerWaalsContact O-N 3.16Å |
| 572 | N | 70.9 | Confident | 82.5 | Confident | 163 Ų | 163 | 53.9 Ų | 53.9 | 87% | 0.872 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25.8 | 169.3 | -60.1 | -60.8 | 0 | 0 | 0 | 116.5 | K574 | N572-K574 PolarHBondContact O-N 2.84Š|
| 573 | I | 75.2 | Confident | 82.5 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | trans | -61.8 | 126.1 | 173.7 | -64.9 | 158.9 | 0 | 0 | 0 | 111.5 | R533 L569 K570 D571 D575 K576 | R533-I573 HydrophobicContact CB-CD1 3.86Å; R533-I573 HydrophobicContact CB-CG1 4.17Å; R533-I573 HydrophobicContact CG-CD1 4.35Å; R533-I573 HydrophobicContact CG-CG1 4.2Å; R533-I573 HydrophobicContact CG-CG2 3.86Å; R533-I573 WeakPolarHBondContact O-CD1 3.44Å; L569-I573 HydrophobicContact CD1-CD1 3.35Å; L569-I573 HydrophobicContact CD2-CD1 4.11Å; L569-I573 HydrophobicContact CG-CD1 3.45Å; L569-I573 VanDerWaalsContact CG-CD1 3.45Å; K570-I573 HydrophobicContact CB-CD1 4.42Å; K570-I573 HydrophobicContact CB-CG1 4.41Å; K570-I573 WeakPolarHBondContact O-CD1 3.1Å; K570-I573 WeakPolarHBondContact O-CG1 3.47Å; D571-I573 VanDerWaalsContact C-N 3.27Å; D571-I573 PolarHBondContact O-N 2.92Å; D571-I573 VanDerWaalsContact O-N 3.16Å; I573-D575 VanDerWaalsContact CG2-O 3.31Å; I573-D575 WeakPolarHBondContact CG2-O 3.47Å; I573-K576 HydrophobicContact CG2-CG 4.23Å; I573-K576 WeakPolarHBondContact O-CE 3.41Å | ||
| 574 | K | 69.8 | Low | 82.5 | Confident | 144 Ų | 144 | 49.3 Ų | 49.3 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -77.2 | -47.3 | 170.7 | -67 | -171.4 | 174.1 | -168.9 | 0 | 113.1 | N572 K576 | N572-K574 PolarHBondContact O-N 2.84Å; K574-K576 PolarHBondContact O-N 2.97Å |
| 575 | D | 71.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -86.8 | 90.2 | -177.2 | -179.1 | 1.2 | 0 | 0 | 0 | 111.7 | R525 R533 I573 M577 R578 | R525-D575 IonicContact CZ-OD2 3.65Å; R525-D575 IonicContact NH1-OD2 2.82Å; R525-D575 PolarHBondContact NH1-OD2 3.24Å; R525-D575 IonicContact NH2-OD2 3.7Å; R533-D575 VanDerWaalsContact CD-O 3.27Å; R533-D575 WeakPolarHBondContact CD-O 3.37Å; R533-D575 PolarHBondContact NH1-O 2.81Å; R533-D575 IonicContact NH1-OD1 3.77Å; R533-D575 IonicContact NH1-OD2 3.61Å; I573-D575 VanDerWaalsContact CG2-O 3.31Å; I573-D575 WeakPolarHBondContact CG2-O 3.47Å; D575-M577 PolarHBondContact OD1-N 3.34Å; D575-M577 VanDerWaalsContact OD1-N 3.11Å; D575-R578 PolarHBondContact OD1-N 3.11Å; D575-R578 WeakPolarHBondContact OD2-CD 3.36Å; D575-R578 IonicContact OD2-NE 3.87Å | ||
| 576 | K | 75.3 | Confident | 82.7 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | trans | -102.3 | 18.4 | 172.6 | -58.8 | 178.6 | 174.5 | -173 | 0 | 112.4 | L486 I573 K574 F621 | L486-K576 HydrophobicContact CD1-CD 3.88Å; I573-K576 HydrophobicContact CG2-CG 4.23Å; I573-K576 WeakPolarHBondContact O-CE 3.41Å; K574-K576 PolarHBondContact O-N 2.97Å; K576-F621 HydrophobicContact CB-CG 4.39Å; K576-F621 VanDerWaalsContact O-CB 3.26Å; K576-F621 WeakPolarHBondContact O-CB 3.34Å | ||
| 577 | M | 68.8 | Low | 82.9 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -112.1 | -35.5 | -173 | -83.2 | -70.7 | -78 | 0 | 0 | 113.2 | D575 K623 C632 F689 T767 | D575-M577 PolarHBondContact OD1-N 3.34Å; D575-M577 VanDerWaalsContact OD1-N 3.11Å; M577-K623 HydrophobicContact SD-CD 3.78Å; M577-K623 HydrophobicContact SD-CG 3.95Å; M577-C632 HydrophobicContact CE-CB 4.03Å; M577-F689 HydrophobicContact CE-CB 4.41Å; M577-F689 HydrophobicContact CE-CD2 3.97Å; M577-F689 HydrophobicContact CE-CG 4.47Å; M577-F689 HydrophobicContact CG-CB 3.68Å; M577-F689 HydrophobicContact CG-CD1 4.36Å; M577-F689 HydrophobicContact CG-CD2 4.11Å; M577-F689 HydrophobicContact CG-CG 3.78Å; M577-F689 HydrophobicContact SD-CB 4.43Å; M577-F689 HydrophobicContact SD-CD2 3.8Å; M577-F689 HydrophobicContact SD-CE2 4.3Å; M577-F689 HydrophobicContact SD-CG 4.11Å; M577-T767 WeakPolarHBondContact CE-O 3.25Å |
| 578 | R | 77.7 | Confident | 82.9 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 48% | 0.475 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -83.9 | 143.8 | 172.8 | -57.4 | -177.4 | -173.7 | -176.4 | 2.5 | 110.2 | R533 D575 F621 | R533-R578 PolarHBondContact NH1-O 3.36Å; D575-R578 PolarHBondContact OD1-N 3.11Å; D575-R578 WeakPolarHBondContact OD2-CD 3.36Å; D575-R578 IonicContact OD2-NE 3.87Å; R578-F621 WeakPolarHBondContact O-CD2 3.4Å; R578-F621 WeakPolarHBondContact O-CE2 3.43Å |
| 579 | S | 83.4 | Confident | 82.9 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 148.8 | 169.6 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | R533 E618 V619 | R533-S579 PolarHBondContact NH2-O 3.09Å; S579-E618 VanDerWaalsContact CB-OE2 3.24Å; S579-E618 WeakPolarHBondContact CB-OE2 3.42Å; S579-E618 PolarHBondContact OG-OE2 3Å; S579-V619 CarbonylContact C-O 3.57Å; S579-V619 WeakPolarHBondContact CA-O 3.43Å; S579-V619 WeakPolarHBondContact CB-O 3.39Å |
| 580 | V | 88.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121 | 164.7 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | F496 V534 I582 E618 V619 F621 | F496-V580 HydrophobicContact CZ-CG1 4.42Å; V534-V580 HydrophobicContact CG1-CG1 4.02Å; V534-V580 HydrophobicContact CG1-CG2 4.39Å; V534-V580 HydrophobicContact CG2-CG1 4.22Å; V580-I582 HydrophobicContact CG1-CD1 4.17Å; V580-E618 WeakPolarHBondContact O-CA 3.36Å; V580-V619 HydrophobicContact CB-CB 4.34Å; V580-V619 HydrophobicContact CB-CG2 4.4Å; V580-V619 PolarHBondContact N-O 2.73Å; V580-V619 PolarHBondContact O-N 2.84Å; V580-F621 HydrophobicContact CG2-CE2 3.8Å; V580-F621 HydrophobicContact CG2-CZ 3.78Å |
| 581 | V | 91 | Very high | 81.1 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.1 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 109 | A521 D522 E583 V616 E618 | A521-V581 WeakPolarHBondContact CA-O 3.5Å; D522-V581 PolarHBondContact N-O 3.33Å; V581-E583 HydrophobicContact CG1-CG 4.16Å; V581-V616 HydrophobicContact CG1-CG1 3.51Å; V581-E618 HydrophobicContact CG2-CG 4.45Å |
| 582 | I | 92.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.8 | 176 | -54.5 | -59.4 | 0 | 0 | 0 | 108.3 | V477 V479 F496 V498 I519 E520 A521 V580 V584 V616 A617 V619 | V477-I582 HydrophobicContact CG1-CG2 4.37Å; V479-I582 HydrophobicContact CG2-CG1 4.43Å; F496-I582 HydrophobicContact CE2-CD1 4.14Å; F496-I582 HydrophobicContact CZ-CD1 4.25Å; V498-I582 HydrophobicContact CG1-CG2 3.87Å; V498-I582 HydrophobicContact CG2-CD1 4.26Å; V498-I582 HydrophobicContact CG2-CG1 4.16Å; V498-I582 HydrophobicContact CG2-CG2 4.18Å; I519-I582 HydrophobicContact CG2-CG2 4.01Å; E520-I582 CarbonylContact O-C 3.57Å; E520-I582 WeakPolarHBondContact O-CA 3.27Å; A521-I582 HydrophobicContact CB-CD1 3.66Å; V580-I582 HydrophobicContact CG1-CD1 4.17Å; I582-V584 HydrophobicContact CG2-CG2 4.27Å; I582-V616 WeakPolarHBondContact O-CA 3.44Å; I582-A617 PolarHBondContact N-O 3.38Å; I582-A617 PolarHBondContact O-N 2.66Å; I582-V619 HydrophobicContact CG1-CG2 4.13Å |
| 583 | E | 93 | Very high | 79.4 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.7 | -177 | -63.5 | 172.7 | -140.5 | 0 | 0 | 109.7 | E520 G523 E524 V581 Q614 | E520-E583 HydrophobicContact CB-CB 4.44Å; E520-E583 PolarHBondContact N-O 2.72Å; E520-E583 PolarHBondContact O-N 3.2Å; G523-E583 WeakPolarHBondContact CA-OE1 3.33Å; G523-E583 PolarHBondContact N-OE1 2.92Å; E524-E583 PolarHBondContact N-OE1 2.67Å; E524-E583 VanDerWaalsContact N-OE1 3.13Å; V581-E583 HydrophobicContact CG1-CG 4.16Å; E583-Q614 PolarHBondContact OE2-NE2 3.29Å |
| 584 | V | 94.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113.9 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | V477 A500 F502 S518 I519 I582 Q614 A615 | V477-V584 HydrophobicContact CB-CG2 4.3Å; V477-V584 HydrophobicContact CG1-CG2 3.76Å; V477-V584 HydrophobicContact CG2-CB 3.64Å; V477-V584 HydrophobicContact CG2-CG1 4.29Å; V477-V584 HydrophobicContact CG2-CG2 3.47Å; V477-V584 VanDerWaalsContact CG2-CG2 3.47Å; A500-V584 HydrophobicContact CB-CG1 4.1Å; F502-V584 HydrophobicContact CE1-CG1 3.82Å; F502-V584 HydrophobicContact CZ-CG1 3.62Å; S518-V584 WeakPolarHBondContact O-CA 3.36Å; I519-V584 HydrophobicContact CB-CG2 4.43Å; I519-V584 HydrophobicContact CG1-CG1 4Å; I519-V584 HydrophobicContact CG1-CG2 3.97Å; I519-V584 HydrophobicContact CG2-CG2 4.17Å; I582-V584 HydrophobicContact CG2-CG2 4.27Å; V584-Q614 CarbonylContact O-C 3.56Å; V584-Q614 VanDerWaalsContact O-CA 3.25Å; V584-Q614 WeakPolarHBondContact O-CA 3.09Å; V584-A615 PolarHBondContact N-O 3.01Å; V584-A615 PolarHBondContact O-N 2.79Å |
| 585 | S | 93.3 | Very high | 77.1 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 159.9 | 174.1 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | Y517 S518 | Y517-S585 WeakPolarHBondContact CA-O 3.43Å; S518-S585 WeakPolarHBondContact CB-OG 3.47Å; S518-S585 PolarHBondContact N-O 2.89Å; S518-S585 PolarHBondContact O-N 3.06Å |
| 586 | A | 92.2 | Very high | 75.6 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 138.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I473 F502 I515 S516 | I473-A586 HydrophobicContact CG2-CB 4.33Å; F502-A586 HydrophobicContact CD1-CB 4.01Å; F502-A586 HydrophobicContact CE1-CB 3.88Å; I515-A586 HydrophobicContact CD1-CB 4.23Å; S516-A586 CarbonylContact O-C 3.27Å; S516-A586 WeakPolarHBondContact O-CA 3.18Å |
| 587 | E | 90.7 | Very high | 74.5 | Confident | 139 Ų | 139 | 72.9 Ų | 72.9 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.1 | 178.9 | -62.9 | -166.2 | 176.4 | 0 | 0 | 111.2 | I515 S516 | I515-E587 CarbonylContact C-O 3.15Å; I515-E587 VanDerWaalsContact CA-O 3.25Å; I515-E587 WeakPolarHBondContact CA-O 3.29Å; I515-E587 WeakPolarHBondContact CB-O 3.07Å; S516-E587 PolarHBondContact N-O 3.11Å; S516-E587 PolarHBondContact O-N 3.35Å |
| 588 | I | 88.9 | Confident | 73.7 | Confident | 22 Ų | 22 | 80 Ų | 80 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.3 | 179.2 | -60.3 | 168.1 | 0 | 0 | 0 | 109.8 | V471 I473 L513 K590 M604 P605 V607 | V471-I588 HydrophobicContact CG2-CD1 3.6Å; I473-I588 HydrophobicContact CD1-CD1 4.47Å; I473-I588 HydrophobicContact CD1-CG1 3.96Å; L513-I588 HydrophobicContact CD1-CD1 4.31Å; L513-I588 HydrophobicContact CD1-CG1 4.17Å; L513-I588 HydrophobicContact CD1-CG2 3.73Å; I588-K590 PolarHBondContact O-N 2.99Å; I588-M604 HydrophobicContact CG2-CE 4.12Å; I588-P605 HydrophobicContact CD1-CB 4.47Å; I588-P605 HydrophobicContact CD1-CG 4.3Å; I588-V607 HydrophobicContact CD1-CG2 3.58Å; I588-V607 HydrophobicContact CG1-CG2 3.7Å |
| 589 | I | 84.1 | Confident | 73 | Confident | 64 Ų | 64 | 77 Ų | 77 | 33% | 0.328 | 42% | 0.418 | S | S | . | . | trans | -72.7 | 124.1 | 176.1 | -61.5 | -177.9 | 0 | 0 | 0 | 109.3 | T514 T551 A591 | T514-I589 HydrophobicContact CG2-CD1 4Å; T514-I589 PolarHBondContact O-N 3.22Å; T551-I589 HydrophobicContact CG2-CD1 3.59Å; I589-A591 VanDerWaalsContact C-N 3.34Å; I589-A591 PolarHBondContact O-N 3.2Å | ||
| 590 | K | 68.3 | Low | 72.7 | Confident | 156 Ų | 156 | 78.4 Ų | 78.4 | 68% | 0.678 | 42% | 0.424 | S | S | * | . | trans | -75.5 | 85 | 178.8 | -67.7 | 167.5 | -174.5 | 161.6 | 0 | 109.8 | I588 | I588-K590 PolarHBondContact O-N 2.99Š| ||
| 591 | A | 60.7 | Low | 72 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -54 | 142.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I589 M604 | I589-A591 VanDerWaalsContact C-N 3.34Å; I589-A591 PolarHBondContact O-N 3.2Å; A591-M604 HydrophobicContact CB-CE 4.24Å; A591-M604 HydrophobicContact CB-SD 4.31Å |
| 592 | K | 56.3 | Low | 71.4 | Confident | 194 Ų | 194 | 83.2 Ų | 83.2 | 84% | 0.843 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 125.8 | 170 | -70.3 | -177 | 178.5 | 179.3 | 0 | 108 | Q594 | K592-Q594 PolarHBondContact O-N 2.72Š|
| 593 | P | 53.5 | Low | 71.1 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 128.3 | 178.2 | 25.1 | -33 | 0 | 0 | 0 | 109.9 | R595 | P593-R595 PolarHBondContact O-N 3.48Š|
| 594 | Q | 48.8 | Very low | 70.7 | Confident | 189 Ų | 189 | 86.1 Ų | 86.1 | 88% | 0.883 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 116.3 | 171.5 | -71.6 | -177.5 | -21.3 | 0 | 0 | 108.5 | K592 A596 | K592-Q594 PolarHBondContact O-N 2.72Å; Q594-A596 PolarHBondContact O-N 2.67Å |
| 595 | R | 46.5 | Very low | 70.5 | Confident | 247 Ų | 247 | 86.2 Ų | 86.2 | 93% | 0.932 | 46% | 0.461 | S | S | * | . | trans | -72 | 94.6 | 176.5 | -76.9 | -175.9 | 169.2 | -177.8 | -5.2 | 110.4 | P593 G597 | P593-R595 PolarHBondContact O-N 3.48Å; R595-G597 VanDerWaalsContact C-N 3.3Å; R595-G597 PolarHBondContact O-N 3.17Å; R595-G597 VanDerWaalsContact O-N 3.12Å | ||
| 596 | A | 40.5 | Very low | 70.4 | Confident | 77 Ų | 77 | 85.5 Ų | 85.5 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | trans | -84.7 | 63.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q594 A599 | Q594-A596 PolarHBondContact O-N 2.67Å; A596-A599 WeakPolarHBondContact O-CB 3.4Å; A596-A599 PolarHBondContact O-N 3.05Å | ||
| 597 | G | 51.4 | Low | 70.3 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 67% | 0.67 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -135.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R595 A599 | R595-G597 VanDerWaalsContact C-N 3.3Å; R595-G597 PolarHBondContact O-N 3.17Å; R595-G597 VanDerWaalsContact O-N 3.12Å; G597-A599 VanDerWaalsContact C-N 3.28Å; G597-A599 PolarHBondContact O-N 3.09Å |
| 598 | N | 52 | Low | 70.1 | Confident | 169 Ų | 169 | 82.3 Ų | 82.3 | 90% | 0.904 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 3.1 | -178.4 | -66.5 | 5.2 | 0 | 0 | 0 | 114 | ||
| 599 | A | 62.8 | Low | 69.8 | Low | 64 Ų | 64 | 85.4 Ų | 85.4 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -75.5 | 151.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A596 G597 | A596-A599 WeakPolarHBondContact O-CB 3.4Å; A596-A599 PolarHBondContact O-N 3.05Å; G597-A599 VanDerWaalsContact C-N 3.28Å; G597-A599 PolarHBondContact O-N 3.09Å |
| 600 | L | 77.3 | Confident | 69.6 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 139 | 176.1 | -69.5 | 176.3 | 0 | 0 | 0 | 111.4 | I39 I92 E94 D446 Q602 | I39-L600 HydrophobicContact CD1-CD2 3.63Å; I92-L600 HydrophobicContact CG2-CD1 4.1Å; E94-L600 HydrophobicContact CG-CD2 4.44Å; D446-L600 HydrophobicContact CB-CD1 3.67Å; L600-Q602 PolarHBondContact O-N 3.47Å |
| 601 | S | 74.9 | Confident | 70.2 | Confident | 23 Ų | 23 | 81.1 Ų | 81.1 | 16% | 0.161 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 120.2 | 179.7 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | E94 R466 L603 | E94-S601 PolarHBondContact OE1-OG 3.15Å; R466-S601 PolarHBondContact NH1-O 3.08Å; R466-S601 PolarHBondContact NH2-O 3.49Å; R466-S601 PolarHBondContact NH2-OG 3.21Å; S601-L603 PolarHBondContact O-N 3.45Å |
| 602 | Q | 77.9 | Confident | 71.4 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 121.9 | -179.8 | -167.9 | -163.9 | -56.5 | 0 | 0 | 110.6 | L600 | L600-Q602 PolarHBondContact O-N 3.47Š|
| 603 | L | 85.2 | Confident | 72.7 | Confident | 12 Ų | 12 | 84.3 Ų | 84.3 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 141.5 | 178.5 | -61.1 | -179.6 | 0 | 0 | 0 | 112.5 | D34 R466 A467 R468 S601 | D34-L603 HydrophobicContact CB-CD2 4.06Å; R466-L603 HydrophobicContact CB-CD1 3.69Å; A467-L603 WeakPolarHBondContact O-CD1 3.14Å; R468-L603 HydrophobicContact CG-CB 4.21Å; R468-L603 HydrophobicContact CG-CD1 4.07Å; S601-L603 PolarHBondContact O-N 3.45Å |
| 604 | M | 85.1 | Confident | 74.5 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 28% | 0.281 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 136.1 | 170 | -75.8 | -65.2 | -67.6 | 0 | 0 | 110 | R468 I588 A591 | R468-M604 PolarHBondContact NE-O 3.19Å; R468-M604 PolarHBondContact NH2-O 3.25Å; I588-M604 HydrophobicContact CG2-CE 4.12Å; A591-M604 HydrophobicContact CB-CE 4.24Å; A591-M604 HydrophobicContact CB-SD 4.31Å |
| 605 | P | 89.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 166.4 | -178.7 | 26.6 | -36.4 | 0 | 0 | 0 | 112.9 | R468 P469 V471 Y509 L513 I588 | R468-P605 PolarHBondContact NH2-O 3.02Å; P469-P605 HydrophobicContact CB-CB 4.47Å; P469-P605 CarbonylContact O-C 3.58Å; P469-P605 WeakPolarHBondContact O-CA 3.26Å; P469-P605 WeakPolarHBondContact O-CB 3.44Å; V471-P605 HydrophobicContact CG1-CB 3.72Å; V471-P605 HydrophobicContact CG1-CG 4.47Å; V471-P605 HydrophobicContact CG2-CB 4.31Å; Y509-P605 HydrophobicContact CD2-CB 4.35Å; Y509-P605 HydrophobicContact CE1-CG 4.04Å; Y509-P605 HydrophobicContact CE2-CB 4.15Å; Y509-P605 HydrophobicContact CE2-CG 3.89Å; L513-P605 HydrophobicContact CD1-CG 3.72Å; I588-P605 HydrophobicContact CD1-CB 4.47Å; I588-P605 HydrophobicContact CD1-CG 4.3Å |
| 606 | V | 91 | Very high | 78.7 | Confident | 18 Ų | 18 | 69 Ų | 69 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.1 | 178.9 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | F31 N32 P469 V470 V471 D608 | F31-V606 VanDerWaalsContact O-CG1 3.28Å; F31-V606 WeakPolarHBondContact O-CG1 3.46Å; F31-V606 VanDerWaalsContact O-CG2 3.28Å; F31-V606 WeakPolarHBondContact O-CG2 3.29Å; N32-V606 HydrophobicContact CB-CG1 3.66Å; P469-V606 PolarHBondContact O-N 3.21Å; V470-V606 HydrophobicContact CB-CG1 4.45Å; V470-V606 HydrophobicContact CG2-CG1 3.92Å; V471-V606 WeakPolarHBondContact CG2-O 3.33Å; V471-V606 PolarHBondContact N-O 3.46Å; V606-D608 PolarHBondContact O-N 2.78Å |
| 607 | V | 89.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.4 | 174.2 | -178 | 0 | 0 | 0 | 0 | 108.2 | V471 I473 I588 A609 Q611 | V471-V607 WeakPolarHBondContact O-CA 3.43Å; I473-V607 HydrophobicContact CD1-CG2 3.87Å; I588-V607 HydrophobicContact CD1-CG2 3.58Å; I588-V607 HydrophobicContact CG1-CG2 3.7Å; V607-A609 PolarHBondContact O-N 2.96Å; V607-Q611 VanDerWaalsContact CG1-CD 3.5Å; V607-Q611 HydrophobicContact CG1-CG 4.28Å |
| 608 | D | 87.4 | Confident | 83 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | trans | -47.4 | 119.3 | 172.8 | 158.4 | 18.6 | 0 | 0 | 0 | 110.7 | V470 V471 N472 V606 T610 Q611 | V470-D608 HydrophobicContact CG1-CB 3.63Å; V471-D608 PolarHBondContact O-N 2.88Å; N472-D608 PolarHBondContact ND2-OD2 2.7Å; V606-D608 PolarHBondContact O-N 2.78Å; D608-T610 VanDerWaalsContact CG-OG1 3.3Å; D608-T610 PolarHBondContact O-N 3.38Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 PolarHBondContact OD1-N 3.09Å; D608-T610 PolarHBondContact OD1-OG1 3.12Å; D608-T610 PolarHBondContact OD2-OG1 3.27Å; D608-Q611 VanDerWaalsContact N-NE2 3.2Å; D608-Q611 VanDerWaalsContact O-CG 3.3Å; D608-Q611 WeakPolarHBondContact O-CG 3.43Å; D608-Q611 PolarHBondContact O-N 3.26Å; D608-Q611 PolarHBondContact O-NE2 3.38Å | ||
| 609 | A | 81.8 | Confident | 84.7 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 72% | 0.719 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V607 | V607-A609 PolarHBondContact O-N 2.96Š|
| 610 | T | 79.9 | Confident | 85.6 | Confident | 114 Ų | 114 | 60 Ų | 60 | 70% | 0.699 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.7 | 176 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | D608 | D608-T610 VanDerWaalsContact CG-OG1 3.3Å; D608-T610 PolarHBondContact O-N 3.38Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 PolarHBondContact OD1-N 3.09Å; D608-T610 PolarHBondContact OD1-OG1 3.12Å; D608-T610 PolarHBondContact OD2-OG1 3.27Å |
| 611 | Q | 82.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -72.9 | 148.7 | -177.2 | 90.4 | -163.7 | -108.9 | 0 | 0 | 112 | V471 I473 V607 D608 R613 | V471-Q611 PolarHBondContact O-NE2 2.04Å; I473-Q611 PolarHBondContact O-OE1 2.8Å; V607-Q611 VanDerWaalsContact CG1-CD 3.5Å; V607-Q611 HydrophobicContact CG1-CG 4.28Å; D608-Q611 VanDerWaalsContact N-NE2 3.2Å; D608-Q611 VanDerWaalsContact O-CG 3.3Å; D608-Q611 WeakPolarHBondContact O-CG 3.43Å; D608-Q611 PolarHBondContact O-N 3.26Å; D608-Q611 PolarHBondContact O-NE2 3.38Å; Q611-R613 PolarHBondContact O-N 3.12Å |
| 612 | P | 84.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | trans | -62.4 | 130.8 | 176.2 | 25.8 | -34.1 | 0 | 0 | 0 | 111.2 | K475 Q614 | K475-P612 PolarHBondContact NZ-O 2.9Å; P612-Q614 PolarHBondContact O-N 3.14Å | ||
| 613 | R | 85.3 | Confident | 85.2 | Confident | 219 Ų | 219 | 55.7 Ų | 55.7 | 83% | 0.826 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -61.7 | -42.9 | -178.7 | -72.6 | -173.7 | 173.7 | -164.7 | -3.5 | 112 | K475 Q611 | K475-R613 PolarHBondContact NZ-O 3.01Å; Q611-R613 PolarHBondContact O-N 3.12Å |
| 614 | Q | 89.9 | Confident | 84.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.2 | 177.3 | -68.5 | 158.7 | -63.2 | 0 | 0 | 110.4 | E583 V584 P612 | E583-Q614 PolarHBondContact OE2-NE2 3.29Å; V584-Q614 CarbonylContact O-C 3.56Å; V584-Q614 VanDerWaalsContact O-CA 3.25Å; V584-Q614 WeakPolarHBondContact O-CA 3.09Å; P612-Q614 PolarHBondContact O-N 3.14Å |
| 615 | A | 91.4 | Very high | 83.3 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 152.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109 | K475 V477 V584 | K475-A615 HydrophobicContact CB-CB 3.73Å; K475-A615 WeakPolarHBondContact O-CB 3.13Å; V477-A615 HydrophobicContact CG2-CB 3.73Å; V584-A615 PolarHBondContact N-O 3.01Å; V584-A615 PolarHBondContact O-N 2.79Å |
| 616 | V | 92.9 | Very high | 82.4 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 53% | 0.527 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138 | -173.3 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | V581 I582 | V581-V616 HydrophobicContact CG1-CG1 3.51Å; I582-V616 WeakPolarHBondContact O-CA 3.44Å |
| 617 | A | 91.3 | Very high | 81.3 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V477 V479 I582 | V477-A617 HydrophobicContact CB-CB 4.05Å; V477-A617 HydrophobicContact CG1-CB 3.7Å; V479-A617 HydrophobicContact CG2-CB 3.96Å; I582-A617 PolarHBondContact N-O 3.38Å; I582-A617 PolarHBondContact O-N 2.66Å |
| 618 | E | 89.8 | Confident | 80 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138 | -177.1 | -73.3 | -171.4 | -143.7 | 0 | 0 | 111.4 | S579 V580 V581 | S579-E618 VanDerWaalsContact CB-OE2 3.24Å; S579-E618 WeakPolarHBondContact CB-OE2 3.42Å; S579-E618 PolarHBondContact OG-OE2 3Å; V580-E618 WeakPolarHBondContact O-CA 3.36Å; V581-E618 HydrophobicContact CG2-CG 4.45Å |
| 619 | V | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122 | 176.9 | -150.4 | 0 | 0 | 0 | 0 | 108.9 | V479 I484 F496 S579 V580 I582 | V479-V619 HydrophobicContact CB-CG2 4.25Å; V479-V619 HydrophobicContact CG1-CG1 4.04Å; V479-V619 HydrophobicContact CG1-CG2 3.74Å; V479-V619 HydrophobicContact CG2-CG2 4.13Å; I484-V619 HydrophobicContact CD1-CB 4.36Å; I484-V619 HydrophobicContact CD1-CG1 3.96Å; I484-V619 HydrophobicContact CG1-CG1 3.8Å; F496-V619 HydrophobicContact CD1-CG1 4.42Å; F496-V619 HydrophobicContact CD2-CG2 4.31Å; F496-V619 HydrophobicContact CE2-CG2 3.82Å; F496-V619 HydrophobicContact CG-CG1 4.42Å; F496-V619 HydrophobicContact CZ-CG2 3.93Å; S579-V619 CarbonylContact C-O 3.57Å; S579-V619 WeakPolarHBondContact CA-O 3.43Å; S579-V619 WeakPolarHBondContact CB-O 3.39Å; V580-V619 HydrophobicContact CB-CB 4.34Å; V580-V619 HydrophobicContact CB-CG2 4.4Å; V580-V619 PolarHBondContact N-O 2.73Å; V580-V619 PolarHBondContact O-N 2.84Å; I582-V619 HydrophobicContact CG1-CG2 4.13Å |
| 620 | N | 83 | Confident | 77.7 | Confident | 61 Ų | 61 | 80 Ų | 80 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 157.5 | -175.3 | -77.8 | -83.9 | 0 | 0 | 0 | 111.8 | E482 E483 I484 | E482-N620 PolarHBondContact O-N 2.88Å; E483-N620 CarbonylContact C-O 3.59Å; E483-N620 WeakPolarHBondContact CA-O 3.39Å; E483-N620 HydrophobicContact CG-CB 4.34Å; I484-N620 PolarHBondContact N-O 2.85Å |
| 621 | F | 79.3 | Confident | 77.1 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.7 | 167.9 | -67.1 | -83.5 | 0 | 0 | 0 | 110.4 | I484 L569 K576 R578 V580 | I484-F621 HydrophobicContact CB-CD1 4.04Å; I484-F621 HydrophobicContact CB-CE1 4.37Å; I484-F621 HydrophobicContact CD1-CD1 4.29Å; I484-F621 HydrophobicContact CD1-CE1 3.9Å; I484-F621 HydrophobicContact CD1-CZ 4.22Å; I484-F621 HydrophobicContact CG2-CD1 4.12Å; I484-F621 HydrophobicContact CG2-CE1 4.22Å; L569-F621 HydrophobicContact CD1-CE1 3.8Å; L569-F621 HydrophobicContact CD1-CZ 3.87Å; L569-F621 HydrophobicContact CD2-CE1 4Å; K576-F621 HydrophobicContact CB-CG 4.39Å; K576-F621 VanDerWaalsContact O-CB 3.26Å; K576-F621 WeakPolarHBondContact O-CB 3.34Å; R578-F621 WeakPolarHBondContact O-CD2 3.4Å; R578-F621 WeakPolarHBondContact O-CE2 3.43Å; V580-F621 HydrophobicContact CG2-CE2 3.8Å; V580-F621 HydrophobicContact CG2-CZ 3.78Å |
| 622 | V | 73.6 | Confident | 76.8 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 33% | 0.327 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 129.4 | 167.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | E483 I484 D485 | E483-V622 HydrophobicContact CB-CG2 4.37Å; I484-V622 PolarHBondContact O-N 3.48Å; D485-V622 HydrophobicContact CB-CG2 4.05Å |
| 623 | K | 69.1 | Low | 76.8 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | trans | -106.3 | 102.7 | -171.5 | -63.3 | 169.3 | -168.3 | 170.1 | 0 | 111.7 | M577 K630 | M577-K623 HydrophobicContact SD-CD 3.78Å; M577-K623 HydrophobicContact SD-CG 3.95Å; K623-K630 WeakPolarHBondContact CD-O 3.39Å; K623-K630 PolarHBondContact NZ-O 3.2Å | ||
| 624 | E | 64.1 | Low | 76.9 | Confident | 166 Ų | 166 | 67.5 Ų | 67.5 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 155.6 | 171.8 | -60.2 | -167.8 | 128.3 | 0 | 0 | 112 | C626 | E624-C626 VanDerWaalsContact C-N 3.33Å; E624-C626 PolarHBondContact O-N 3.27Å |
| 625 | G | 64.9 | Low | 76.9 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -0.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 626 | C | 71.1 | Confident | 76.9 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | trans | -112.1 | 136.6 | -174.1 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | E624 N628 C632 D686 | E624-C626 VanDerWaalsContact C-N 3.33Å; E624-C626 PolarHBondContact O-N 3.27Å; C626-N628 PolarHBondContact O-N 2.73Å; C626-C632 HydrophobicContact CB-CB 3.76Å; C626-C632 WeakPolarHBondContact CB-SG 3.29Å; C626-C632 WeakPolarHBondContact SG-CB 3.47Å; C626-C632 CovalentContact SG-SG 2.02Å; C626-C632 PolarHBondContact SG-SG 3.43Å; C626-D686 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 627 | K | 68.8 | Low | 76.8 | Confident | 154 Ų | 154 | 66.3 Ų | 66.3 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -66.1 | -29 | -174.7 | -69.8 | 174.7 | -163.1 | 98.9 | 0 | 112 | N684 G685 D686 | K627-N684 PolarHBondContact NZ-O 2.9Å; K627-G685 PolarHBondContact NZ-O 3.27Å; K627-G685 VanDerWaalsContact NZ-O 3.09Å; K627-D686 VanDerWaalsContact CD-OD1 3.27Å; K627-D686 WeakPolarHBondContact CD-OD1 3.48Å; K627-D686 WeakPolarHBondContact CE-OD1 3.28Å; K627-D686 WeakPolarHBondContact CG-OD1 3.41Å; K627-D686 PolarHBondContact N-OD2 3.47Å; K627-D686 IonicContact NZ-OD1 2.67Å; K627-D686 PolarHBondContact NZ-OD1 2.87Å |
| 628 | N | 62 | Low | 76.8 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -108.6 | 119.3 | 165.4 | 178.5 | -17.7 | 0 | 0 | 0 | 108.5 | C626 K630 I631 | C626-N628 PolarHBondContact O-N 2.73Å; N628-K630 PolarHBondContact O-N 2.88Å; N628-K630 PolarHBondContact OD1-N 2.89Å; N628-K630 VanDerWaalsContact OD1-N 3.12Å; N628-I631 CarbonylContact O-C 3.54Å; N628-I631 PolarHBondContact O-N 2.84Å; N628-I631 VanDerWaalsContact O-N 3.12Å; N628-I631 VanDerWaalsContact O-O 3.06Å |
| 629 | K | 61.2 | Low | 76.8 | Confident | 167 Ų | 167 | 67.3 Ų | 67.3 | 73% | 0.726 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -15.2 | -175.8 | -68.2 | -168.2 | 174.4 | -167.4 | 0 | 115.3 | ||
| 630 | K | 60.2 | Low | 76.9 | Confident | 127 Ų | 127 | 69.3 Ų | 69.3 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -25.4 | 178.9 | -66.2 | -177.2 | -179.2 | -93.3 | 0 | 114 | E483 K623 N628 | E483-K630 IonicContact OE1-NZ 2.58Å; E483-K630 PolarHBondContact OE1-NZ 3.12Å; K623-K630 WeakPolarHBondContact CD-O 3.39Å; K623-K630 PolarHBondContact NZ-O 3.2Å; N628-K630 PolarHBondContact O-N 2.88Å; N628-K630 PolarHBondContact OD1-N 2.89Å; N628-K630 VanDerWaalsContact OD1-N 3.12Å |
| 631 | I | 66.6 | Low | 77.2 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -142.1 | 123.6 | -174.8 | -51.7 | 179.1 | 0 | 0 | 0 | 111 | N628 F633 | N628-I631 CarbonylContact O-C 3.54Å; N628-I631 PolarHBondContact O-N 2.84Å; N628-I631 VanDerWaalsContact O-N 3.12Å; N628-I631 VanDerWaalsContact O-O 3.06Å; I631-F633 HydrophobicContact CB-CE2 3.92Å; I631-F633 HydrophobicContact CB-CZ 4.09Å; I631-F633 HydrophobicContact CG2-CD1 4.45Å; I631-F633 HydrophobicContact CG2-CD2 4.23Å; I631-F633 HydrophobicContact CG2-CE1 3.94Å; I631-F633 HydrophobicContact CG2-CE2 3.69Å; I631-F633 HydrophobicContact CG2-CZ 3.54Å |
| 632 | C | 77 | Confident | 77.6 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | trans | -93.5 | 123.8 | 176.2 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | M577 C626 D686 S769 | M577-C632 HydrophobicContact CE-CB 4.03Å; C626-C632 HydrophobicContact CB-CB 3.76Å; C626-C632 WeakPolarHBondContact CB-SG 3.29Å; C626-C632 WeakPolarHBondContact SG-CB 3.47Å; C626-C632 CovalentContact SG-SG 2.02Å; C626-C632 PolarHBondContact SG-SG 3.43Å; C632-D686 HydrophobicContact CB-CB 4.47Å; C632-S769 WeakPolarHBondContact O-CB 3.24Å; C632-S769 PolarHBondContact O-N 3.37Å | ||
| 633 | F | 84.1 | Confident | 78.2 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | trans | -107.1 | 98.8 | -178.7 | -67.2 | -81.6 | 0 | 0 | 0 | 111.6 | I631 D686 | I631-F633 HydrophobicContact CB-CE2 3.92Å; I631-F633 HydrophobicContact CB-CZ 4.09Å; I631-F633 HydrophobicContact CG2-CD1 4.45Å; I631-F633 HydrophobicContact CG2-CD2 4.23Å; I631-F633 HydrophobicContact CG2-CE1 3.94Å; I631-F633 HydrophobicContact CG2-CE2 3.69Å; I631-F633 HydrophobicContact CG2-CZ 3.54Å; F633-D686 PolarHBondContact N-OD2 2.97Å; F633-D686 PolarHBondContact O-N 2.89Å | ||
| 634 | S | 87.7 | Confident | 78.7 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | trans | -80.2 | 159.6 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | Q770 | S634-Q770 VanDerWaalsContact C-OE1 3.24Å; S634-Q770 VanDerWaalsContact O-CD 3.32Å; S634-Q770 WeakPolarHBondContact O-CG 3.41Å; S634-Q770 PolarHBondContact O-OE1 2.86Å; S634-Q770 WeakPolarHBondContact OG-CB 3.44Å; S634-Q770 PolarHBondContact OG-OE1 2.82Å | ||
| 635 | N | 90.1 | Very high | 79.1 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -131 | 52.3 | 175.4 | -166 | 16.6 | 0 | 0 | 0 | 111 | K637 N682 E683 | N635-K637 PolarHBondContact O-N 2.92Å; N635-K637 WeakPolarHBondContact OD1-CE 3.4Å; N635-N682 PolarHBondContact N-OD1 3.49Å; N635-E683 WeakPolarHBondContact CB-O 3.49Å; N635-E683 PolarHBondContact ND2-O 2.91Å | ||
| 636 | L | 91.4 | Very high | 79.1 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 120.7 | 177.3 | -59 | -174.4 | 0 | 0 | 0 | 110.7 | T681 N682 A688 A691 F732 L764 T766 Q770 I772 | L636-T681 CarbonylContact C-O 3.58Å; L636-T681 VanDerWaalsContact CA-O 3.29Å; L636-T681 WeakPolarHBondContact CA-O 3.4Å; L636-N682 HydrophobicContact CD2-CB 3.95Å; L636-A688 HydrophobicContact CD1-CB 4.37Å; L636-A688 HydrophobicContact CD2-CB 3.75Å; L636-A688 HydrophobicContact CG-CB 4.22Å; L636-A691 HydrophobicContact CD1-CB 4.34Å; L636-F732 HydrophobicContact CD2-CD1 3.63Å; L636-F732 HydrophobicContact CD2-CE1 3.99Å; L636-L764 HydrophobicContact CB-CD1 4.13Å; L636-T766 HydrophobicContact CD1-CG2 3.76Å; L636-Q770 PolarHBondContact O-NE2 2.85Å; L636-I772 HydrophobicContact CB-CD1 4.34Å; L636-I772 HydrophobicContact CD1-CD1 4.18Å |
| 637 | K | 90.3 | Very high | 78.6 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.8 | 175 | -63.8 | 174 | -174.5 | 171.3 | 0 | 110.2 | N635 V680 T681 | N635-K637 PolarHBondContact O-N 2.92Å; N635-K637 WeakPolarHBondContact OD1-CE 3.4Å; K637-V680 VanDerWaalsContact O-CA 3.28Å; K637-V680 WeakPolarHBondContact O-CA 3.48Å; K637-V680 WeakPolarHBondContact O-CG1 3.46Å; K637-T681 PolarHBondContact N-O 3.03Å; K637-T681 PolarHBondContact O-N 3.45Å |
| 638 | M | 91.3 | Very high | 78 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134 | -177.5 | -174 | 168.3 | 57.6 | 0 | 0 | 112.1 | V678 T679 L693 L762 L764 V775 | M638-V678 HydrophobicContact CG-CG1 3.68Å; M638-V678 HydrophobicContact SD-CG1 3.65Å; M638-T679 WeakPolarHBondContact CA-O 3.31Å; M638-L693 HydrophobicContact CE-CD1 4.41Å; M638-L693 HydrophobicContact SD-CD1 3.61Å; M638-L693 HydrophobicContact SD-CD2 4.45Å; M638-L762 HydrophobicContact CE-CB 3.57Å; M638-L762 HydrophobicContact CE-CD1 4.26Å; M638-L762 HydrophobicContact SD-CB 4.11Å; M638-L762 HydrophobicContact SD-CD1 4.08Å; M638-L764 HydrophobicContact CB-CD1 3.79Å; M638-L764 HydrophobicContact SD-CG 4.36Å; M638-V775 HydrophobicContact CE-CB 3.67Å; M638-V775 HydrophobicContact CE-CG2 3.54Å |
| 639 | D | 89.9 | Confident | 77.9 | Confident | 108 Ų | 108 | 67 Ų | 67 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.2 | 166.3 | 177.7 | 37.7 | 0 | 0 | 0 | 109.5 | T679 | D639-T679 PolarHBondContact N-O 3.12Å; D639-T679 PolarHBondContact O-N 3.43Å |
| 640 | N | 90.4 | Very high | 77.9 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 151 | -170.9 | 66.5 | 91.4 | 0 | 0 | 0 | 114.2 | K677 L762 I777 | N640-K677 WeakPolarHBondContact CA-O 3.21Å; N640-L762 HydrophobicContact CB-CD1 4.39Å; N640-I777 HydrophobicContact CB-CD1 4.21Å; N640-I777 WeakPolarHBondContact OD1-CD1 3.3Å; N640-I777 WeakPolarHBondContact OD1-CG1 3.49Å |
| 641 | S | 88 | Confident | 78.4 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.9 | 173.2 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | H643 K677 | S641-H643 PolarHBondContact OG-CD2 2.85Å; S641-H643 PolarHBondContact OG-NE2 2.76Å; S641-K677 PolarHBondContact N-O 3.14Å; S641-K677 PolarHBondContact O-N 3.03Å |
| 642 | L | 88.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.1 | 175.2 | -62.9 | -176.6 | 0 | 0 | 0 | 111.6 | L655 P663 L674 V676 I760 I777 | L642-L655 HydrophobicContact CB-CB 4.39Å; L642-L655 HydrophobicContact CB-CD1 4.19Å; L642-L655 HydrophobicContact CB-CD2 4Å; L642-L655 HydrophobicContact CB-CG 4.42Å; L642-L655 HydrophobicContact CD1-CD2 4.22Å; L642-L655 PolarHBondContact O-N 2.86Å; L642-P663 HydrophobicContact CD1-CB 4.1Å; L642-P663 HydrophobicContact CD1-CG 4.26Å; L642-L674 HydrophobicContact CB-CD1 4.45Å; L642-L674 HydrophobicContact CD2-CD2 4.39Å; L642-V676 HydrophobicContact CD2-CB 4.36Å; L642-V676 HydrophobicContact CD2-CG1 4.23Å; L642-V676 HydrophobicContact CD2-CG2 3.82Å; L642-I760 HydrophobicContact CD2-CD1 4.34Å; L642-I777 HydrophobicContact CD1-CG2 3.89Å; L642-I777 HydrophobicContact CD2-CG2 4.19Å; L642-I777 HydrophobicContact CG-CG2 3.93Å |
| 643 | H | 85.5 | Confident | 79 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.093 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.3 | 179.8 | -68.1 | -118.5 | 0 | 0 | 0 | 110.9 | S641 F652 T653 A675 | S641-H643 PolarHBondContact OG-CD2 2.85Å; S641-H643 PolarHBondContact OG-NE2 2.76Å; H643-F652 HydrophobicContact CB-CB 4.06Å; H643-F652 PolarHBondContact ND1-O 3Å; H643-T653 CarbonylContact C-O 3.59Å; H643-T653 WeakPolarHBondContact CA-O 3.19Å; H643-T653 VanDerWaalsContact CB-O 3.31Å; H643-T653 WeakPolarHBondContact CB-O 3.36Å; H643-A675 HydrophobicContact CB-CB 4.3Å; H643-A675 PolarHBondContact N-O 3.11Å; H643-A675 PolarHBondContact O-N 3.02Å |
| 644 | Y | 80.2 | Confident | 78.9 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 147.1 | 165.7 | -74.7 | -80.8 | 0 | 0 | 0 | 110.1 | T653 L655 E664 F665 R666 | Y644-T653 PolarHBondContact N-O 3Å; Y644-L655 HydrophobicContact CD1-CD1 4.43Å; Y644-L655 HydrophobicContact CD2-CD1 3.53Å; Y644-L655 HydrophobicContact CD2-CG 4.03Å; Y644-L655 HydrophobicContact CE2-CB 4.35Å; Y644-L655 HydrophobicContact CE2-CD1 3.62Å; Y644-L655 HydrophobicContact CE2-CG 3.59Å; Y644-L655 HydrophobicContact CG-CD1 3.95Å; Y644-E664 PolarHBondContact OH-O 3.28Å; Y644-F665 HydrophobicContact CD1-CE2 4.44Å; Y644-F665 AromaticContact CE1-CD2 3.9Å; Y644-F665 HydrophobicContact CE1-CD2 3.9Å; Y644-F665 HydrophobicContact CE1-CE2 4.09Å; Y644-R666 PolarHBondContact OH-N 2.89Å |
| 645 | K | 72.8 | Confident | 78.6 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | trans | -113.5 | 108.8 | 166.8 | -175.2 | -176.1 | 177.6 | -174.6 | 0 | 110.1 | F652 A673 I743 | K645-F652 HydrophobicContact CB-CD1 4.31Å; K645-F652 HydrophobicContact CB-CE1 4.12Å; K645-F652 HydrophobicContact CD-CE1 4.13Å; K645-F652 HydrophobicContact CG-CD1 4.47Å; K645-F652 HydrophobicContact CG-CE1 3.96Å; K645-A673 HydrophobicContact CB-CB 4.08Å; K645-A673 HydrophobicContact CD-CB 4.38Å; K645-A673 PolarHBondContact N-O 3.02Å; K645-I743 HydrophobicContact CD-CD1 4.33Å; K645-I743 HydrophobicContact CD-CG2 3.84Å | ||
| 646 | P | 65.3 | Low | 78 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 29% | 0.292 | 36% | 0.359 | S | S | . | . | trans | -64.7 | 146.7 | 172.5 | -20.3 | 33.1 | 0 | 0 | 0 | 112.2 | S648 K649 E651 | P646-S648 PolarHBondContact O-N 3.09Å; P646-K649 HydrophobicContact CB-CB 4.49Å; P646-E651 WeakPolarHBondContact CD-O 3.38Å | ||
| 647 | T | 59.4 | Low | 77.2 | Confident | 122 Ų | 122 | 72.3 Ų | 72.3 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.6 | 179.4 | -40.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 648 | S | 57.3 | Low | 76.1 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 1.2 | -170.1 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | P646 | P646-S648 PolarHBondContact O-N 3.09Š|
| 649 | K | 59.5 | Low | 74.7 | Confident | 125 Ų | 125 | 72 Ų | 72 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | trans | -148.3 | 144.8 | -179.4 | -76.6 | -174.5 | 162.6 | -165.1 | 0 | 111.9 | P646 E651 | P646-K649 HydrophobicContact CB-CB 4.49Å; K649-E651 HydrophobicContact CB-CB 4.09Å; K649-E651 HydrophobicContact CD-CB 4.4Å; K649-E651 WeakPolarHBondContact CD-OE2 3.39Å; K649-E651 IonicContact NZ-OE2 2.71Å; K649-E651 PolarHBondContact NZ-OE2 3.4Å; K649-E651 PolarHBondContact O-N 3.36Å | ||
| 650 | D | 60.7 | Low | 73.5 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -81.9 | 35.1 | 173.9 | -126.8 | 31.9 | 0 | 0 | 0 | 112.2 | R707 | D650-R707 IonicContact OD2-CZ 3.76Å; D650-R707 IonicContact OD2-NE 3.61Å; D650-R707 PolarHBondContact OD2-NE 2.77Å; D650-R707 VanDerWaalsContact OD2-NE 3.12Å; D650-R707 IonicContact OD2-NH2 3.68Å; D650-R707 PolarHBondContact OD2-NH2 2.69Å |
| 651 | E | 70.3 | Confident | 72.6 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | trans | -113.9 | 104 | -170.2 | -172.9 | 172.3 | -165 | 0 | 0 | 110.3 | P646 K649 T653 | P646-E651 WeakPolarHBondContact CD-O 3.38Å; K649-E651 HydrophobicContact CB-CB 4.09Å; K649-E651 HydrophobicContact CD-CB 4.4Å; K649-E651 WeakPolarHBondContact CD-OE2 3.39Å; K649-E651 IonicContact NZ-OE2 2.71Å; K649-E651 PolarHBondContact NZ-OE2 3.4Å; K649-E651 PolarHBondContact O-N 3.36Å; E651-T653 PolarHBondContact O-N 3.38Å | ||
| 652 | F | 77.4 | Confident | 72.1 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.167 | 43% | 0.426 | C | S | . | . | trans | -88.6 | 94.5 | -172.9 | -64.7 | -83.4 | 0 | 0 | 0 | 112.4 | H643 K645 A675 R707 H741 | H643-F652 HydrophobicContact CB-CB 4.06Å; H643-F652 PolarHBondContact ND1-O 3Å; K645-F652 HydrophobicContact CB-CD1 4.31Å; K645-F652 HydrophobicContact CB-CE1 4.12Å; K645-F652 HydrophobicContact CD-CE1 4.13Å; K645-F652 HydrophobicContact CG-CD1 4.47Å; K645-F652 HydrophobicContact CG-CE1 3.96Å; F652-A675 HydrophobicContact CD1-CB 3.55Å; F652-A675 HydrophobicContact CE1-CB 3.65Å; F652-R707 HydrophobicContact CE2-CG 4.42Å; F652-R707 HydrophobicContact CZ-CB 4.46Å; F652-R707 HydrophobicContact CZ-CG 4.5Å; F652-H741 HydrophobicContact CZ-CB 4.47Å | ||
| 653 | T | 79.3 | Confident | 71.8 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.6 | 177.4 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | H643 Y644 E651 | H643-T653 CarbonylContact C-O 3.59Å; H643-T653 WeakPolarHBondContact CA-O 3.19Å; H643-T653 VanDerWaalsContact CB-O 3.31Å; H643-T653 WeakPolarHBondContact CB-O 3.36Å; Y644-T653 PolarHBondContact N-O 3Å; E651-T653 PolarHBondContact O-N 3.38Å |
| 654 | P | 81.3 | Confident | 71.7 | Confident | 86 Ų | 86 | 78.2 Ų | 78.2 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 151.3 | 179.9 | 28.3 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 655 | L | 82.3 | Confident | 71.8 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 6% | 0.058 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.5 | 173.7 | -99.9 | 65.3 | 0 | 0 | 0 | 111.2 | L642 Y644 P663 F665 L674 | L642-L655 HydrophobicContact CB-CB 4.39Å; L642-L655 HydrophobicContact CB-CD1 4.19Å; L642-L655 HydrophobicContact CB-CD2 4Å; L642-L655 HydrophobicContact CB-CG 4.42Å; L642-L655 HydrophobicContact CD1-CD2 4.22Å; L642-L655 PolarHBondContact O-N 2.86Å; Y644-L655 HydrophobicContact CD1-CD1 4.43Å; Y644-L655 HydrophobicContact CD2-CD1 3.53Å; Y644-L655 HydrophobicContact CD2-CG 4.03Å; Y644-L655 HydrophobicContact CE2-CB 4.35Å; Y644-L655 HydrophobicContact CE2-CD1 3.62Å; Y644-L655 HydrophobicContact CE2-CG 3.59Å; Y644-L655 HydrophobicContact CG-CD1 3.95Å; L655-P663 HydrophobicContact CB-CB 4Å; L655-P663 HydrophobicContact CD2-CB 3.84Å; L655-F665 HydrophobicContact CD2-CB 4.05Å; L655-L674 HydrophobicContact CD1-CD1 3.79Å; L655-L674 HydrophobicContact CD2-CD1 4.13Å |
| 656 | N | 77.1 | Confident | 72 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 64% | 0.642 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 148.8 | 165.9 | -75.3 | -13.2 | 0 | 0 | 0 | 110.1 | E664 | N656-E664 PolarHBondContact O-N 3.04Š|
| 657 | K | 75.3 | Confident | 72.3 | Confident | 127 Ų | 127 | 76.2 Ų | 76.2 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -113.9 | 140.2 | -176.3 | -60.2 | -173.7 | 173.2 | -170.7 | 0 | 111.7 | N661 I662 | K657-N661 WeakPolarHBondContact CD-OD1 3.47Å; K657-N661 PolarHBondContact NZ-OD1 2.9Å; K657-I662 CarbonylContact C-O 3.54Å; K657-I662 WeakPolarHBondContact CA-O 3.34Å |
| 658 | S | 65.9 | Low | 72.8 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | trans | -61.3 | 165.2 | 170.8 | -144.3 | 0 | 0 | 0 | 0 | 111.2 | L660 N661 I662 E664 K780 | S658-L660 PolarHBondContact O-N 2.98Å; S658-N661 PolarHBondContact O-N 2.92Å; S658-I662 WeakPolarHBondContact CB-O 3.49Å; S658-I662 PolarHBondContact N-O 3.04Å; S658-E664 VanDerWaalsContact CA-OE1 3.28Å; S658-E664 WeakPolarHBondContact CA-OE1 3.4Å; S658-E664 WeakPolarHBondContact CB-OE1 3.37Å; S658-E664 PolarHBondContact OG-OE1 3.47Å; S658-K780 PolarHBondContact OG-NZ 3.14Å | ||
| 659 | A | 62.1 | Low | 73 | Confident | 114 Ų | 114 | 73 Ų | 73 | 94% | 0.942 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 660 | L | 65.3 | Low | 73 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 70% | 0.702 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 18.4 | 173.9 | -66.4 | 168.7 | 0 | 0 | 0 | 113.7 | S658 I662 | S658-L660 PolarHBondContact O-N 2.98Å; L660-I662 HydrophobicContact CB-CD1 4.22Å; L660-I662 HydrophobicContact CB-CG1 4.33Å; L660-I662 PolarHBondContact O-N 2.97Å; L660-I662 VanDerWaalsContact O-N 3.09Å |
| 661 | N | 71.5 | Confident | 73 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 60% | 0.599 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 63.6 | 8.6 | -179.6 | -165.1 | 28.6 | 0 | 0 | 0 | 115.2 | K657 S658 | K657-N661 WeakPolarHBondContact CD-OD1 3.47Å; K657-N661 PolarHBondContact NZ-OD1 2.9Å; S658-N661 PolarHBondContact O-N 2.92Å |
| 662 | I | 77.1 | Confident | 72.5 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | trans | -81.7 | 133.3 | 176.9 | -56 | 170.7 | 0 | 0 | 0 | 110.1 | K657 S658 L660 K780 | K657-I662 CarbonylContact C-O 3.54Å; K657-I662 WeakPolarHBondContact CA-O 3.34Å; S658-I662 WeakPolarHBondContact CB-O 3.49Å; S658-I662 PolarHBondContact N-O 3.04Å; L660-I662 HydrophobicContact CB-CD1 4.22Å; L660-I662 HydrophobicContact CB-CG1 4.33Å; L660-I662 PolarHBondContact O-N 2.97Å; L660-I662 VanDerWaalsContact O-N 3.09Å; I662-K780 HydrophobicContact CG2-CG 4.2Å | ||
| 663 | P | 82.6 | Confident | 72.2 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -59.3 | 141.8 | 173.5 | -23.6 | 34.5 | 0 | 0 | 0 | 113.7 | L642 L655 S779 K780 | L642-P663 HydrophobicContact CD1-CB 4.1Å; L642-P663 HydrophobicContact CD1-CG 4.26Å; L655-P663 HydrophobicContact CB-CB 4Å; L655-P663 HydrophobicContact CD2-CB 3.84Å; P663-S779 PolarHBondContact O-OG 3.41Å; P663-K780 PolarHBondContact O-N 2.72Å |
| 664 | E | 82.1 | Confident | 72.6 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 16% | 0.164 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.2 | 176.1 | -63 | -173.4 | 171.1 | 0 | 0 | 110.9 | Y644 N656 S658 K780 | Y644-E664 PolarHBondContact OH-O 3.28Å; N656-E664 PolarHBondContact O-N 3.04Å; S658-E664 VanDerWaalsContact CA-OE1 3.28Å; S658-E664 WeakPolarHBondContact CA-OE1 3.4Å; S658-E664 WeakPolarHBondContact CB-OE1 3.37Å; S658-E664 PolarHBondContact OG-OE1 3.47Å; E664-K780 HydrophobicContact CG-CB 4.42Å |
| 665 | F | 82.4 | Confident | 73 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.2 | 175.8 | -178.2 | -113.5 | 0 | 0 | 0 | 110.5 | Y644 L655 L667 L674 A746 F758 K780 I782 | Y644-F665 HydrophobicContact CD1-CE2 4.44Å; Y644-F665 AromaticContact CE1-CD2 3.9Å; Y644-F665 HydrophobicContact CE1-CD2 3.9Å; Y644-F665 HydrophobicContact CE1-CE2 4.09Å; L655-F665 HydrophobicContact CD2-CB 4.05Å; F665-L667 HydrophobicContact CE1-CB 4.4Å; F665-L667 HydrophobicContact CE1-CD1 4.31Å; F665-L674 HydrophobicContact CD2-CD1 3.87Å; F665-L674 HydrophobicContact CE2-CB 4.14Å; F665-L674 HydrophobicContact CE2-CD1 4.14Å; F665-A746 HydrophobicContact CZ-CB 4.46Å; F665-F758 HydrophobicContact CB-CE1 4.12Å; F665-F758 HydrophobicContact CB-CZ 4.45Å; F665-F758 HydrophobicContact CD1-CE1 4.08Å; F665-F758 HydrophobicContact CG-CE1 4.32Å; F665-K780 PolarHBondContact N-O 2.88Å; F665-I782 PolarHBondContact O-N 3.42Å |
| 666 | R | 76.7 | Confident | 73.4 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.2 | 177.8 | -62.1 | -171.5 | -179.6 | -161 | -0.5 | 110.7 | Y644 T671 I782 | Y644-R666 PolarHBondContact OH-N 2.89Å; R666-T671 PolarHBondContact O-OG1 3.24Å; R666-I782 WeakPolarHBondContact CA-O 3.26Å; R666-I782 HydrophobicContact CG-CB 4.35Å |
| 667 | L | 73.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.8 | 175.2 | -174.3 | 66.9 | 0 | 0 | 0 | 109.6 | F665 A746 V751 I782 E784 W830 | F665-L667 HydrophobicContact CE1-CB 4.4Å; F665-L667 HydrophobicContact CE1-CD1 4.31Å; L667-A746 HydrophobicContact CD1-CB 4.05Å; L667-V751 HydrophobicContact CD2-CG1 4.18Å; L667-V751 HydrophobicContact CD2-CG2 3.85Å; L667-I782 PolarHBondContact N-O 3.42Å; L667-E784 PolarHBondContact O-N 3.45Å; L667-E784 VanDerWaalsContact O-N 3.13Å; L667-W830 HydrophobicContact CD2-CH2 4.01Å; L667-W830 HydrophobicContact CG-CH2 4.5Å |
| 668 | T | 68.7 | Low | 74.9 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | trans | -122.1 | 178 | 174.8 | 80.2 | 0 | 0 | 0 | 0 | 109.9 | E670 T671 E784 | T668-E670 PolarHBondContact O-N 3.12Å; T668-E670 PolarHBondContact OG1-N 3.01Å; T668-E670 VanDerWaalsContact OG1-N 3.12Å; T668-T671 PolarHBondContact N-OG1 3.46Å; T668-T671 PolarHBondContact OG1-N 3.42Å; T668-T671 PolarHBondContact OG1-OG1 3.39Å; T668-E784 HydrophobicContact CG2-CG 4.39Å | ||
| 669 | Y | 62.6 | Low | 76.1 | Confident | 144 Ų | 144 | 52.7 Ų | 52.7 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -69.5 | -12.9 | 174.1 | 70.6 | -89.4 | 0 | 0 | 0 | 113.3 | K672 | Y669-K672 WeakPolarHBondContact O-CE 3.29Š|
| 670 | E | 59.6 | Low | 77.6 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -103.7 | -34 | -179.2 | -55 | -172.2 | 161 | 0 | 0 | 113.1 | T668 K672 | T668-E670 PolarHBondContact O-N 3.12Å; T668-E670 PolarHBondContact OG1-N 3.01Å; T668-E670 VanDerWaalsContact OG1-N 3.12Å; E670-K672 PolarHBondContact O-N 3.31Å; E670-K672 VanDerWaalsContact O-N 3.17Å |
| 671 | T | 60.2 | Low | 78.9 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | trans | -84 | 89.6 | -175.2 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | R666 T668 | R666-T671 PolarHBondContact O-OG1 3.24Å; T668-T671 PolarHBondContact N-OG1 3.46Å; T668-T671 PolarHBondContact OG1-N 3.42Å; T668-T671 PolarHBondContact OG1-OG1 3.39Å | ||
| 672 | K | 59.2 | Low | 79.8 | Confident | 109 Ų | 109 | 36.2 Ų | 36.2 | 47% | 0.474 | 17% | 0.169 | S | C | . | . | trans | -96.4 | -12.8 | -172.9 | -62.7 | -173.8 | 178.7 | -174.8 | 0 | 116 | Y669 E670 A746 | Y669-K672 WeakPolarHBondContact O-CE 3.29Å; E670-K672 PolarHBondContact O-N 3.31Å; E670-K672 VanDerWaalsContact O-N 3.17Å; K672-A746 PolarHBondContact O-N 2.95Å | ||
| 673 | A | 71.7 | Confident | 80.4 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 13% | 0.132 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K645 I743 L744 | K645-A673 HydrophobicContact CB-CB 4.08Å; K645-A673 HydrophobicContact CD-CB 4.38Å; K645-A673 PolarHBondContact N-O 3.02Å; A673-I743 HydrophobicContact CB-CG2 4.43Å; A673-L744 CarbonylContact C-O 3.55Å; A673-L744 VanDerWaalsContact CA-O 3.27Å; A673-L744 WeakPolarHBondContact CA-O 3.37Å |
| 674 | L | 87.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 152.2 | 169.2 | -178.6 | 69.3 | 0 | 0 | 0 | 108.6 | L642 L655 F665 L701 L744 F758 I760 | L642-L674 HydrophobicContact CB-CD1 4.45Å; L642-L674 HydrophobicContact CD2-CD2 4.39Å; L655-L674 HydrophobicContact CD1-CD1 3.79Å; L655-L674 HydrophobicContact CD2-CD1 4.13Å; F665-L674 HydrophobicContact CD2-CD1 3.87Å; F665-L674 HydrophobicContact CE2-CB 4.14Å; F665-L674 HydrophobicContact CE2-CD1 4.14Å; L674-L701 HydrophobicContact CB-CD2 4.3Å; L674-L701 HydrophobicContact CD2-CD1 3.78Å; L674-L701 HydrophobicContact CD2-CD2 4.21Å; L674-L744 HydrophobicContact CB-CB 4.47Å; L674-L744 PolarHBondContact N-O 3.26Å; L674-L744 PolarHBondContact O-N 3.48Å; L674-F758 HydrophobicContact CD2-CE2 4.2Å; L674-F758 HydrophobicContact CD2-CZ 3.76Å; L674-I760 HydrophobicContact CD2-CD1 4.19Å |
| 675 | A | 88.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H643 F652 I742 | H643-A675 HydrophobicContact CB-CB 4.3Å; H643-A675 PolarHBondContact N-O 3.11Å; H643-A675 PolarHBondContact O-N 3.02Å; F652-A675 HydrophobicContact CD1-CB 3.55Å; F652-A675 HydrophobicContact CE1-CB 3.65Å; A675-I742 CarbonylContact C-O 3.45Å; A675-I742 WeakPolarHBondContact CA-O 3.29Å |
| 676 | V | 91.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 106.7 | 172.2 | -167.3 | 0 | 0 | 0 | 0 | 107.5 | L642 V678 H741 I742 L744 I760 L762 I777 | L642-V676 HydrophobicContact CD2-CB 4.36Å; L642-V676 HydrophobicContact CD2-CG1 4.23Å; L642-V676 HydrophobicContact CD2-CG2 3.82Å; V676-V678 HydrophobicContact CG1-CG2 4.03Å; V676-H741 CarbonylContact O-C 3.35Å; V676-H741 WeakPolarHBondContact O-CA 3.38Å; V676-I742 HydrophobicContact CB-CB 4.37Å; V676-I742 PolarHBondContact N-O 2.94Å; V676-I742 PolarHBondContact O-N 3.22Å; V676-L744 HydrophobicContact CG2-CD1 3.85Å; V676-L744 HydrophobicContact CG2-CG 4.48Å; V676-I760 HydrophobicContact CG2-CD1 4.03Å; V676-L762 HydrophobicContact CG1-CD1 4.14Å; V676-I777 HydrophobicContact CG1-CD1 3.88Å |
| 677 | K | 91.4 | Very high | 81.2 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.7 | 169.3 | -177.9 | -178.6 | 175.9 | -165.9 | 0 | 108.1 | N640 S641 M739 H741 | N640-K677 WeakPolarHBondContact CA-O 3.21Å; S641-K677 PolarHBondContact N-O 3.14Å; S641-K677 PolarHBondContact O-N 3.03Å; K677-M739 HydrophobicContact CG-SD 4.46Å; K677-H741 WeakPolarHBondContact CG-NE2 3.42Å |
| 678 | V | 92.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.7 | 177.1 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | M638 V676 V680 L693 M739 F740 I742 L762 | M638-V678 HydrophobicContact CG-CG1 3.68Å; M638-V678 HydrophobicContact SD-CG1 3.65Å; V676-V678 HydrophobicContact CG1-CG2 4.03Å; V678-V680 HydrophobicContact CG1-CG2 4.1Å; V678-L693 HydrophobicContact CB-CD2 4.37Å; V678-L693 HydrophobicContact CG1-CD2 3.86Å; V678-L693 HydrophobicContact CG2-CD2 4.2Å; V678-M739 WeakPolarHBondContact O-CA 3.41Å; V678-F740 HydrophobicContact CB-CE2 4.43Å; V678-F740 HydrophobicContact CB-CZ 4.33Å; V678-F740 PolarHBondContact N-O 3.09Å; V678-F740 PolarHBondContact O-N 3.38Å; V678-I742 HydrophobicContact CG2-CD1 4.3Å; V678-L762 HydrophobicContact CG2-CD1 4.03Å |
| 679 | T | 92 | Very high | 82.5 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.9 | 173.1 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | M638 D639 K737 V738 M739 | M638-T679 WeakPolarHBondContact CA-O 3.31Å; D639-T679 PolarHBondContact N-O 3.12Å; D639-T679 PolarHBondContact O-N 3.43Å; T679-K737 VanDerWaalsContact CG2-CE 3.47Å; T679-K737 HydrophobicContact CG2-CG 4.35Å; T679-V738 CarbonylContact C-O 3.59Å; T679-V738 WeakPolarHBondContact CA-O 3.24Å; T679-M739 HydrophobicContact CG2-CB 4.38Å; T679-M739 WeakPolarHBondContact OG1-CG 3.32Å |
| 680 | V | 92.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.3 | -180 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | K637 V678 L728 F732 K737 V738 L764 | K637-V680 VanDerWaalsContact O-CA 3.28Å; K637-V680 WeakPolarHBondContact O-CA 3.48Å; K637-V680 WeakPolarHBondContact O-CG1 3.46Å; V678-V680 HydrophobicContact CG1-CG2 4.1Å; V680-L728 HydrophobicContact CB-CD1 4.38Å; V680-L728 HydrophobicContact CG1-CD1 4Å; V680-L728 HydrophobicContact CG2-CD1 4.21Å; V680-L728 HydrophobicContact CG2-CD2 4.43Å; V680-F732 HydrophobicContact CG1-CE1 4.2Å; V680-F732 HydrophobicContact CG1-CZ 4.43Å; V680-K737 WeakPolarHBondContact O-CA 3.31Å; V680-V738 HydrophobicContact CB-CG1 4.22Å; V680-V738 PolarHBondContact N-O 3.4Å; V680-V738 PolarHBondContact O-N 3.02Å; V680-L764 HydrophobicContact CG1-CD1 4.01Å; V680-L764 HydrophobicContact CG1-CD2 4.06Å; V680-L764 HydrophobicContact CG2-CD2 4.02Å |
| 681 | T | 92.4 | Very high | 84.8 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.5 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | L636 K637 E683 S736 K737 | L636-T681 CarbonylContact C-O 3.58Å; L636-T681 VanDerWaalsContact CA-O 3.29Å; L636-T681 WeakPolarHBondContact CA-O 3.4Å; K637-T681 PolarHBondContact N-O 3.03Å; K637-T681 PolarHBondContact O-N 3.45Å; T681-E683 WeakPolarHBondContact CG2-OE1 3.38Å; T681-S736 WeakPolarHBondContact CA-O 3.49Å; T681-K737 HydrophobicContact CG2-CB 3.94Å; T681-K737 HydrophobicContact CG2-CD 3.58Å; T681-K737 HydrophobicContact CG2-CG 3.57Å |
| 682 | N | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 52 | 171.3 | -171.4 | 19 | 0 | 0 | 0 | 111 | N635 L636 D686 F732 K733 N735 S736 | N635-N682 PolarHBondContact N-OD1 3.49Å; L636-N682 HydrophobicContact CD2-CB 3.95Å; N682-D686 PolarHBondContact ND2-O 2.94Å; N682-F732 HydrophobicContact CB-CD1 3.78Å; N682-F732 HydrophobicContact CB-CE1 3.69Å; N682-F732 PolarHBondContact ND2-O 3Å; N682-F732 VanDerWaalsContact ND2-O 3.09Å; N682-K733 PolarHBondContact ND2-O 2.72Å; N682-N735 WeakPolarHBondContact O-CA 3.4Å; N682-N735 PolarHBondContact O-N 2.96Å; N682-S736 PolarHBondContact N-O 3.33Å |
| 683 | E | 88.3 | Confident | 87.9 | Confident | 78 Ų | 78 | 24.9 Ų | 24.9 | 36% | 0.364 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 129 | -174.1 | -72.8 | 161.4 | -164 | 0 | 0 | 112.2 | N635 T681 G685 | N635-E683 WeakPolarHBondContact CB-O 3.49Å; N635-E683 PolarHBondContact ND2-O 2.91Å; T681-E683 WeakPolarHBondContact CG2-OE1 3.38Å; E683-G685 PolarHBondContact O-N 3.26Å |
| 684 | N | 83.3 | Confident | 88.9 | Confident | 132 Ų | 132 | 24.3 Ų | 24.3 | 71% | 0.706 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -1.3 | -179.2 | -55.5 | -62.2 | 0 | 0 | 0 | 116.8 | K627 N735 | K627-N684 PolarHBondContact NZ-O 2.9Å; N684-N735 PolarHBondContact N-OD1 2.86Å |
| 685 | G | 83.6 | Confident | 89.2 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -73.1 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K627 E683 S734 | K627-G685 PolarHBondContact NZ-O 3.27Å; K627-G685 VanDerWaalsContact NZ-O 3.09Å; E683-G685 PolarHBondContact O-N 3.26Å; G685-S734 WeakPolarHBondContact O-CB 3.34Å; G685-S734 PolarHBondContact O-OG 3.08Å |
| 686 | D | 88.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | trans | -82.6 | 173.8 | 159.1 | -67.4 | -1.7 | 0 | 0 | 0 | 110.1 | C626 K627 C632 F633 N682 A688 | C626-D686 WeakPolarHBondContact CA-OD2 3.44Å; K627-D686 VanDerWaalsContact CD-OD1 3.27Å; K627-D686 WeakPolarHBondContact CD-OD1 3.48Å; K627-D686 WeakPolarHBondContact CE-OD1 3.28Å; K627-D686 WeakPolarHBondContact CG-OD1 3.41Å; K627-D686 PolarHBondContact N-OD2 3.47Å; K627-D686 IonicContact NZ-OD1 2.67Å; K627-D686 PolarHBondContact NZ-OD1 2.87Å; C632-D686 HydrophobicContact CB-CB 4.47Å; F633-D686 PolarHBondContact N-OD2 2.97Å; F633-D686 PolarHBondContact O-N 2.89Å; N682-D686 PolarHBondContact ND2-O 2.94Å; D686-A688 PolarHBondContact O-N 3.03Å | ||
| 687 | D | 86.4 | Confident | 89.3 | Confident | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | trans | -60 | 129.1 | 175.1 | -91.5 | 26.5 | 0 | 0 | 0 | 111.6 | F689 P731 K733 S734 | D687-F689 HydrophobicContact CB-CE2 4.15Å; D687-F689 HydrophobicContact CB-CZ 4.46Å; D687-F689 WeakPolarHBondContact O-CD2 3.5Å; D687-P731 HydrophobicContact CB-CB 3.82Å; D687-P731 HydrophobicContact CB-CG 4.29Å; D687-P731 VanDerWaalsContact OD2-CG 3.26Å; D687-P731 WeakPolarHBondContact OD2-CG 3.38Å; D687-K733 VanDerWaalsContact OD1-CA 3.29Å; D687-K733 WeakPolarHBondContact OD1-CA 3.5Å; D687-S734 PolarHBondContact OD1-N 3.23Å | ||
| 688 | A | 85.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 101.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L636 D686 A691 P731 F732 S768 | L636-A688 HydrophobicContact CD1-CB 4.37Å; L636-A688 HydrophobicContact CD2-CB 3.75Å; L636-A688 HydrophobicContact CG-CB 4.22Å; D686-A688 PolarHBondContact O-N 3.03Å; A688-A691 HydrophobicContact CB-CB 4.25Å; A688-P731 WeakPolarHBondContact O-CA 3.37Å; A688-F732 HydrophobicContact CB-CB 4.37Å; A688-F732 PolarHBondContact N-O 2.77Å; A688-F732 PolarHBondContact O-N 2.97Å; A688-S768 WeakPolarHBondContact CA-OG 3.44Å |
| 689 | F | 83.4 | Confident | 88.4 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 146.5 | -179.2 | -67.2 | -87.8 | 0 | 0 | 0 | 113 | M577 D687 A691 P731 T766 T767 S768 | M577-F689 HydrophobicContact CE-CB 4.41Å; M577-F689 HydrophobicContact CE-CD2 3.97Å; M577-F689 HydrophobicContact CE-CG 4.47Å; M577-F689 HydrophobicContact CG-CB 3.68Å; M577-F689 HydrophobicContact CG-CD1 4.36Å; M577-F689 HydrophobicContact CG-CD2 4.11Å; M577-F689 HydrophobicContact CG-CG 3.78Å; M577-F689 HydrophobicContact SD-CB 4.43Å; M577-F689 HydrophobicContact SD-CD2 3.8Å; M577-F689 HydrophobicContact SD-CE2 4.3Å; M577-F689 HydrophobicContact SD-CG 4.11Å; D687-F689 HydrophobicContact CB-CE2 4.15Å; D687-F689 HydrophobicContact CB-CZ 4.46Å; D687-F689 WeakPolarHBondContact O-CD2 3.5Å; F689-A691 PolarHBondContact O-N 3.18Å; F689-A691 VanDerWaalsContact O-N 3.12Å; F689-P731 HydrophobicContact CD1-CB 3.98Å; F689-P731 HydrophobicContact CE1-CB 3.91Å; F689-P731 HydrophobicContact CE1-CG 4.09Å; F689-P731 HydrophobicContact CG-CB 4.34Å; F689-P731 HydrophobicContact CZ-CB 4.2Å; F689-P731 HydrophobicContact CZ-CG 4.43Å; F689-T766 WeakPolarHBondContact O-CA 3.48Å; F689-T766 WeakPolarHBondContact O-CB 3.43Å; F689-T766 PolarHBondContact O-OG1 3.12Å; F689-T767 WeakPolarHBondContact CB-OG1 3.47Å; F689-T767 PolarHBondContact O-N 3.03Å; F689-T767 PolarHBondContact O-OG1 3.08Å; F689-S768 PolarHBondContact N-OG 2.84Å |
| 690 | E | 82.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 35 Ų | 35 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42 | 43.8 | -173.9 | -62.1 | -170.1 | 163.6 | 0 | 0 | 113.3 | K692 N730 T767 | E690-K692 PolarHBondContact O-N 3.15Å; E690-N730 PolarHBondContact N-OD1 2.7Å; E690-T767 HydrophobicContact CB-CG2 4.21Å |
| 691 | A | 88.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L636 A688 F689 L728 G729 F732 Q765 | L636-A691 HydrophobicContact CD1-CB 4.34Å; A688-A691 HydrophobicContact CB-CB 4.25Å; F689-A691 PolarHBondContact O-N 3.18Å; F689-A691 VanDerWaalsContact O-N 3.12Å; A691-L728 HydrophobicContact CB-CB 4.24Å; A691-L728 WeakPolarHBondContact O-CA 3.39Å; A691-L728 WeakPolarHBondContact O-CB 3.23Å; A691-L728 PolarHBondContact O-N 2.96Å; A691-G729 PolarHBondContact N-O 3.46Å; A691-G729 VanDerWaalsContact N-O 3.11Å; A691-G729 PolarHBondContact O-N 3.21Å; A691-F732 HydrophobicContact CB-CB 3.55Å; A691-F732 HydrophobicContact CB-CG 4.36Å; A691-Q765 WeakPolarHBondContact CA-O 3.33Å |
| 692 | K | 91.6 | Very high | 87.2 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.7 | 178 | 70.5 | -178 | -167.7 | 175.6 | 0 | 112.1 | E690 V694 E725 C726 Q765 | E690-K692 PolarHBondContact O-N 3.15Å; K692-V694 HydrophobicContact CG-CG2 4.5Å; K692-E725 WeakPolarHBondContact CE-OE1 3.39Å; K692-E725 IonicContact NZ-OE1 3.21Å; K692-E725 PolarHBondContact NZ-OE1 3.11Å; K692-E725 IonicContact NZ-OE2 3.12Å; K692-E725 PolarHBondContact NZ-OE2 2.94Å; K692-C726 CarbonylContact C-O 3.6Å; K692-C726 VanDerWaalsContact CA-O 3.23Å; K692-C726 WeakPolarHBondContact CA-O 3.34Å; K692-C726 WeakPolarHBondContact CB-O 3.46Å; K692-Q765 HydrophobicContact CG-CB 3.99Å; K692-Q765 PolarHBondContact N-O 3.39Å; K692-Q765 PolarHBondContact O-N 3.15Å |
| 693 | L | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.7 | 169.8 | 175.8 | 68.5 | 0 | 0 | 0 | 109.1 | M638 V678 E725 C726 L728 F740 I742 L762 L764 | M638-L693 HydrophobicContact CE-CD1 4.41Å; M638-L693 HydrophobicContact SD-CD1 3.61Å; M638-L693 HydrophobicContact SD-CD2 4.45Å; V678-L693 HydrophobicContact CB-CD2 4.37Å; V678-L693 HydrophobicContact CG1-CD2 3.86Å; V678-L693 HydrophobicContact CG2-CD2 4.2Å; L693-E725 CarbonylContact O-C 3.49Å; L693-E725 WeakPolarHBondContact O-CA 3.36Å; L693-C726 HydrophobicContact CB-CB 4.32Å; L693-C726 PolarHBondContact N-O 3.32Å; L693-C726 PolarHBondContact O-N 3.2Å; L693-L728 HydrophobicContact CB-CD2 4.46Å; L693-F740 HydrophobicContact CD2-CE2 4.06Å; L693-F740 HydrophobicContact CD2-CZ 3.67Å; L693-I742 HydrophobicContact CD2-CD1 4.09Å; L693-L762 HydrophobicContact CD1-CB 4.28Å; L693-L764 HydrophobicContact CB-CD2 4.02Å; L693-L764 HydrophobicContact CD1-CD2 3.84Å; L693-L764 HydrophobicContact CD1-CG 4.07Å |
| 694 | V | 92.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.4 | 171.5 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | K692 E723 E725 H763 Q765 | K692-V694 HydrophobicContact CG-CG2 4.5Å; V694-E723 HydrophobicContact CG1-CG 4Å; V694-E723 WeakPolarHBondContact CG1-OE1 3.37Å; V694-E725 HydrophobicContact CG2-CG 4.15Å; V694-H763 PolarHBondContact N-O 3.3Å; V694-H763 PolarHBondContact O-N 2.93Å; V694-Q765 HydrophobicContact CG2-CG 4.31Å |
| 695 | G | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F697 E723 A724 D761 | G695-F697 WeakPolarHBondContact O-CE2 3.24Å; G695-E723 WeakPolarHBondContact O-CA 3.27Å; G695-A724 PolarHBondContact N-O 2.98Å; G695-A724 PolarHBondContact O-N 3.44Å; G695-D761 WeakPolarHBondContact CA-O 3.42Å |
| 696 | K | 91.4 | Very high | 87.7 | Confident | 105 Ų | 105 | 34 Ų | 34 | 46% | 0.457 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.9 | 174.2 | -71.3 | -178.1 | 172.9 | -173.1 | 0 | 109.9 | E723 D761 | K696-E723 WeakPolarHBondContact CE-OE1 3.27Å; K696-E723 WeakPolarHBondContact CE-OE2 3.39Å; K696-E723 HydrophobicContact CG-CB 4.44Å; K696-E723 HydrophobicContact CG-CG 3.95Å; K696-E723 IonicContact NZ-OE1 3.67Å; K696-E723 IonicContact NZ-OE2 2.69Å; K696-D761 HydrophobicContact CB-CB 4.2Å; K696-D761 PolarHBondContact N-O 2.96Å; K696-D761 PolarHBondContact O-N 3.31Å; K696-D761 VanDerWaalsContact O-N 3.08Å |
| 697 | F | 90.7 | Very high | 87.6 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | trans | -119.8 | 139.7 | -170.6 | -46.9 | -62 | 0 | 0 | 0 | 110.8 | G695 L701 S722 A724 I742 L744 I760 | G695-F697 WeakPolarHBondContact O-CE2 3.24Å; F697-L701 HydrophobicContact CB-CB 4.44Å; F697-L701 WeakPolarHBondContact CB-O 3.44Å; F697-S722 PolarHBondContact N-O 2.89Å; F697-A724 HydrophobicContact CE2-CB 3.89Å; F697-A724 HydrophobicContact CZ-CB 4.47Å; F697-I742 HydrophobicContact CZ-CG2 4.04Å; F697-L744 HydrophobicContact CD1-CD1 3.63Å; F697-L744 HydrophobicContact CD1-CD2 3.78Å; F697-L744 HydrophobicContact CD1-CG 4.38Å; F697-L744 HydrophobicContact CD2-CD2 4.02Å; F697-L744 HydrophobicContact CE1-CD1 3.91Å; F697-L744 HydrophobicContact CE1-CD2 3.73Å; F697-L744 HydrophobicContact CE1-CG 4.43Å; F697-L744 HydrophobicContact CE2-CD2 3.96Å; F697-L744 HydrophobicContact CG-CD1 4.32Å; F697-L744 HydrophobicContact CG-CD2 3.95Å; F697-L744 HydrophobicContact CZ-CD2 3.82Å; F697-I760 HydrophobicContact CD1-CG2 3.83Å; F697-I760 HydrophobicContact CE1-CG2 3.94Å | ||
| 698 | P | 87.4 | Confident | 87.7 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | trans | -73 | 158.5 | 178.9 | 30.9 | -34.1 | 0 | 0 | 0 | 111 | I700 L701 F758 E759 | P698-I700 HydrophobicContact CB-CG2 4.1Å; P698-I700 HydrophobicContact CG-CG2 3.81Å; P698-I700 PolarHBondContact O-N 2.8Å; P698-L701 HydrophobicContact CG-CD1 4.35Å; P698-L701 PolarHBondContact O-N 2.87Å; P698-L701 VanDerWaalsContact O-O 3.09Å; P698-F758 HydrophobicContact CG-CB 3.96Å; P698-F758 HydrophobicContact CG-CD2 4.22Å; P698-F758 HydrophobicContact CG-CG 4.31Å; P698-E759 WeakPolarHBondContact CD-O 3.15Å; P698-E759 WeakPolarHBondContact CG-O 3.35Å | ||
| 699 | E | 79.5 | Confident | 87.2 | Confident | 147 Ų | 147 | 42.3 Ų | 42.3 | 69% | 0.687 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -28.3 | -172.6 | -58.5 | -173.7 | 138.5 | 0 | 0 | 115.3 | L701 A750 K752 | E699-L701 VanDerWaalsContact C-N 3.31Å; E699-L701 PolarHBondContact O-N 2.98Å; E699-A750 WeakPolarHBondContact O-CB 3.35Å; E699-K752 IonicContact OE2-NZ 3.84Å; E699-K752 PolarHBondContact OE2-NZ 3.15Å; E699-K752 VanDerWaalsContact OE2-NZ 3.07Å |
| 700 | I | 78.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.5 | 176.7 | 177.7 | 161.2 | 0 | 0 | 0 | 114.2 | P698 A746 A747 V751 F758 V781 | P698-I700 HydrophobicContact CB-CG2 4.1Å; P698-I700 HydrophobicContact CG-CG2 3.81Å; P698-I700 PolarHBondContact O-N 2.8Å; I700-A746 WeakPolarHBondContact O-CA 3.34Å; I700-A747 PolarHBondContact O-N 2.89Å; I700-V751 HydrophobicContact CD1-CG1 4.34Å; I700-V751 HydrophobicContact CD1-CG2 3.91Å; I700-V751 HydrophobicContact CG1-CG2 3.98Å; I700-F758 HydrophobicContact CG2-CB 4.19Å; I700-F758 HydrophobicContact CG2-CD1 4.46Å; I700-F758 HydrophobicContact CG2-CG 4.45Å; I700-V781 HydrophobicContact CD1-CG2 4.46Å |
| 701 | L | 86.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.9 | -173.1 | -70.7 | 170.2 | 0 | 0 | 0 | 111.6 | L674 F697 P698 E699 L744 S745 A746 F758 I760 | L674-L701 HydrophobicContact CB-CD2 4.3Å; L674-L701 HydrophobicContact CD2-CD1 3.78Å; L674-L701 HydrophobicContact CD2-CD2 4.21Å; F697-L701 HydrophobicContact CB-CB 4.44Å; F697-L701 WeakPolarHBondContact CB-O 3.44Å; P698-L701 HydrophobicContact CG-CD1 4.35Å; P698-L701 PolarHBondContact O-N 2.87Å; P698-L701 VanDerWaalsContact O-O 3.09Å; E699-L701 VanDerWaalsContact C-N 3.31Å; E699-L701 PolarHBondContact O-N 2.98Å; L701-L744 HydrophobicContact CB-CB 4.4Å; L701-L744 HydrophobicContact CB-CD1 4.4Å; L701-L744 HydrophobicContact CD1-CD1 4.1Å; L701-L744 HydrophobicContact CD2-CB 4.1Å; L701-S745 WeakPolarHBondContact CA-O 3.28Å; L701-A746 HydrophobicContact CD2-CB 4.4Å; L701-F758 HydrophobicContact CD1-CD2 4.04Å; L701-F758 HydrophobicContact CD1-CE1 4.33Å; L701-F758 HydrophobicContact CD1-CE2 3.71Å; L701-F758 HydrophobicContact CD1-CZ 3.87Å; L701-I760 HydrophobicContact CD1-CD1 3.94Å; L701-I760 HydrophobicContact CD1-CG1 4.3Å |
| 702 | S | 87.1 | Confident | 85.2 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.4 | 173.7 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | S704 L744 S745 | S702-S704 PolarHBondContact O-N 2.83Å; S702-L744 CarbonylContact O-C 3.56Å; S702-L744 VanDerWaalsContact O-CA 3.28Å; S702-L744 WeakPolarHBondContact O-CA 3.31Å; S702-S745 PolarHBondContact N-O 2.87Å; S702-S745 PolarHBondContact O-N 2.84Å |
| 703 | Y | 90.3 | Very high | 84.9 | Confident | 42 Ų | 42 | 53 Ų | 53 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 131 | 174.8 | 174.2 | -92.4 | 0 | 0 | 0 | 111.5 | G705 V706 C715 A717 G721 A724 I742 | Y703-G705 WeakPolarHBondContact CE2-O 3.38Å; Y703-G705 VanDerWaalsContact CZ-CA 3.44Å; Y703-G705 VanDerWaalsContact OH-C 3.25Å; Y703-G705 WeakPolarHBondContact OH-CA 3.44Å; Y703-V706 PolarHBondContact OH-N 2.98Å; Y703-C715 HydrophobicContact CE2-CB 4.24Å; Y703-C715 WeakPolarHBondContact OH-CB 3.45Å; Y703-A717 HydrophobicContact CD1-CB 3.34Å; Y703-A717 HydrophobicContact CE1-CB 3.92Å; Y703-A717 HydrophobicContact CG-CB 3.84Å; Y703-G721 WeakPolarHBondContact CB-O 3.32Å; Y703-G721 PolarHBondContact N-O 3.44Å; Y703-A724 HydrophobicContact CD1-CB 4.5Å; Y703-A724 HydrophobicContact CD2-CB 3.67Å; Y703-A724 HydrophobicContact CE2-CB 4.16Å; Y703-A724 HydrophobicContact CG-CB 3.85Å; Y703-I742 HydrophobicContact CD2-CG2 3.82Å; Y703-I742 HydrophobicContact CE2-CG2 4.04Å |
| 704 | S | 86.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 47% | 0.469 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | -9.5 | -174.3 | -170.8 | 0 | 0 | 0 | 0 | 113.9 | S702 I743 S745 | S702-S704 PolarHBondContact O-N 2.83Å; S704-I743 WeakPolarHBondContact CA-O 3.44Å; S704-I743 WeakPolarHBondContact CB-O 3.39Å; S704-I743 PolarHBondContact N-O 2.94Å; S704-S745 WeakPolarHBondContact CB-OG 3.37Å; S704-S745 PolarHBondContact OG-OG 2.93Å |
| 705 | G | 88.2 | Confident | 84.5 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y703 I743 | Y703-G705 WeakPolarHBondContact CE2-O 3.38Å; Y703-G705 VanDerWaalsContact CZ-CA 3.44Å; Y703-G705 VanDerWaalsContact OH-C 3.25Å; Y703-G705 WeakPolarHBondContact OH-CA 3.44Å; G705-I743 PolarHBondContact N-O 2.9Å; G705-I743 WeakPolarHBondContact O-CB 3.38Å; G705-I743 PolarHBondContact O-N 3.29Å |
| 706 | V | 90.4 | Very high | 84.3 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.2 | 175.8 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | Y703 I713 C715 F740 H741 | Y703-V706 PolarHBondContact OH-N 2.98Å; V706-I713 HydrophobicContact CG2-CG2 4.23Å; V706-C715 HydrophobicContact CB-CB 4.4Å; V706-C715 HydrophobicContact CG1-CB 4.21Å; V706-F740 HydrophobicContact CG2-CB 4.16Å; V706-F740 HydrophobicContact CG2-CD2 3.76Å; V706-F740 HydrophobicContact CG2-CG 4.35Å; V706-H741 CarbonylContact C-O 3.59Å; V706-H741 WeakPolarHBondContact CA-O 3.47Å |
| 707 | R | 88 | Confident | 84.2 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 110.6 | 175.1 | -164.8 | 65.2 | 156.7 | 159.6 | -5.4 | 110 | D650 F652 F740 H741 I743 | D650-R707 IonicContact OD2-CZ 3.76Å; D650-R707 IonicContact OD2-NE 3.61Å; D650-R707 PolarHBondContact OD2-NE 2.77Å; D650-R707 VanDerWaalsContact OD2-NE 3.12Å; D650-R707 IonicContact OD2-NH2 3.68Å; D650-R707 PolarHBondContact OD2-NH2 2.69Å; F652-R707 HydrophobicContact CE2-CG 4.42Å; F652-R707 HydrophobicContact CZ-CB 4.46Å; F652-R707 HydrophobicContact CZ-CG 4.5Å; R707-F740 CarbonylContact O-C 3.51Å; R707-F740 WeakPolarHBondContact O-CA 3.33Å; R707-H741 PolarHBondContact N-O 3.29Å; R707-H741 PolarHBondContact O-N 2.97Å; R707-I743 HydrophobicContact CB-CD1 4.31Å |
| 708 | S | 86.6 | Confident | 84 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | trans | -118 | 144.5 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | N710 N711 M739 | S708-N710 PolarHBondContact O-N 2.83Å; S708-N711 PolarHBondContact O-N 2.72Å; S708-N711 VanDerWaalsContact O-N 3.1Å; S708-M739 PolarHBondContact OG-O 2.76Å | ||
| 709 | P | 75.6 | Confident | 83.7 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -32.4 | -176.3 | -28.7 | 36 | 0 | 0 | 0 | 114.9 | M739 | P709-M739 VanDerWaalsContact CD-O 3.31Å; P709-M739 WeakPolarHBondContact CD-O 3.49Å; P709-M739 HydrophobicContact CG-CE 3.71Å |
| 710 | N | 72.9 | Confident | 83.7 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 11.6 | -178 | -64.7 | -15.7 | 0 | 0 | 0 | 113.2 | S708 Q712 | S708-N710 PolarHBondContact O-N 2.83Å; N710-Q712 HydrophobicContact CB-CG 3.74Å; N710-Q712 PolarHBondContact O-N 3.34Å |
| 711 | N | 66.9 | Low | 83.8 | Confident | 120 Ų | 120 | 70 Ų | 70 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 50.3 | 26.2 | -169.8 | -73.5 | -9.1 | 0 | 0 | 0 | 115 | S708 I713 | S708-N711 PolarHBondContact O-N 2.72Å; S708-N711 VanDerWaalsContact O-N 3.1Å; N711-I713 PolarHBondContact O-N 2.96Å |
| 712 | Q | 72.2 | Confident | 83.9 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | trans | -74.3 | -7.4 | -176.1 | -77.7 | 170.8 | -31.5 | 0 | 0 | 114.7 | N710 | N710-Q712 HydrophobicContact CB-CG 3.74Å; N710-Q712 PolarHBondContact O-N 3.34Å | ||
| 713 | I | 86.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 5% | 0.051 | 40% | 0.399 | C | S | . | . | trans | -113 | 120 | -177.8 | -62.3 | -63.2 | 0 | 0 | 0 | 108.9 | V706 N711 C726 E727 L728 V738 F740 | V706-I713 HydrophobicContact CG2-CG2 4.23Å; N711-I713 PolarHBondContact O-N 2.96Å; I713-C726 HydrophobicContact CG2-CB 3.99Å; I713-E727 VanDerWaalsContact CD1-O 3.26Å; I713-E727 WeakPolarHBondContact CD1-O 3.31Å; I713-L728 HydrophobicContact CD1-CD2 3.98Å; I713-V738 HydrophobicContact CD1-CG1 4.27Å; I713-V738 HydrophobicContact CD1-CG2 3.77Å; I713-V738 HydrophobicContact CG1-CG2 3.88Å; I713-F740 HydrophobicContact CB-CG 4.45Å; I713-F740 HydrophobicContact CD1-CD1 4.33Å; I713-F740 HydrophobicContact CD1-CE1 4.34Å; I713-F740 HydrophobicContact CG1-CB 4.36Å; I713-F740 HydrophobicContact CG1-CD1 3.76Å; I713-F740 HydrophobicContact CG1-CE1 4.22Å; I713-F740 HydrophobicContact CG1-CG 4.13Å; I713-F740 HydrophobicContact CG2-CD1 4.38Å; I713-F740 HydrophobicContact CG2-CD2 4.21Å; I713-F740 HydrophobicContact CG2-CE1 4.45Å; I713-F740 HydrophobicContact CG2-CE2 4.27Å; I713-F740 HydrophobicContact CG2-CG 4.25Å; I713-F740 HydrophobicContact CG2-CZ 4.39Å | ||
| 714 | L | 86.4 | Confident | 84.2 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 59% | 0.592 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.6 | 167.7 | -179 | 63.4 | 0 | 0 | 0 | 108.6 | C726 E727 | L714-C726 CarbonylContact O-C 3.58Å; L714-C726 WeakPolarHBondContact O-CA 3.4Å; L714-E727 PolarHBondContact O-N 3.34Å |
| 715 | C | 90.9 | Very high | 84.4 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.088 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131 | 171.5 | -50 | 0 | 0 | 0 | 0 | 111.3 | Y703 V706 E725 C726 | Y703-C715 HydrophobicContact CE2-CB 4.24Å; Y703-C715 WeakPolarHBondContact OH-CB 3.45Å; V706-C715 HydrophobicContact CB-CB 4.4Å; V706-C715 HydrophobicContact CG1-CB 4.21Å; C715-E725 CarbonylContact C-O 3.59Å; C715-E725 WeakPolarHBondContact CA-O 3.47Å; C715-C726 HydrophobicContact CB-CB 4.02Å; C715-C726 WeakPolarHBondContact CB-SG 3.47Å; C715-C726 WeakPolarHBondContact SG-CB 3.5Å; C715-C726 CovalentContact SG-SG 2.03Å; C715-C726 PolarHBondContact SG-SG 3.47Å |
| 716 | T | 88.6 | Confident | 84.6 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.4 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | A724 E725 | T716-A724 CarbonylContact O-C 3.54Å; T716-A724 VanDerWaalsContact O-CA 3.26Å; T716-A724 WeakPolarHBondContact O-CA 3.38Å; T716-E725 PolarHBondContact N-O 2.88Å; T716-E725 PolarHBondContact O-N 3Å |
| 717 | A | 88.5 | Confident | 84.6 | Confident | 45 Ų | 45 | 74 Ų | 74 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y703 E723 A724 | Y703-A717 HydrophobicContact CD1-CB 3.34Å; Y703-A717 HydrophobicContact CE1-CB 3.92Å; Y703-A717 HydrophobicContact CG-CB 3.84Å; A717-E723 WeakPolarHBondContact CA-O 3.49Å; A717-A724 HydrophobicContact CB-CB 3.87Å |
| 718 | N | 87.1 | Confident | 84.7 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | trans | -67.5 | 164.8 | 173.6 | 74.9 | 18.2 | 0 | 0 | 0 | 111.4 | N720 G721 S722 E723 | N718-N720 PolarHBondContact O-N 3.2Å; N718-N720 PolarHBondContact OD1-N 3.34Å; N718-G721 PolarHBondContact O-N 2.92Å; N718-G721 PolarHBondContact OD1-N 3.2Å; N718-S722 PolarHBondContact ND2-OG 3.28Å; N718-S722 PolarHBondContact OD1-N 2.96Å; N718-E723 PolarHBondContact N-O 3.27Å; N718-E723 WeakPolarHBondContact ND2-CB 3.4Å; N718-E723 PolarHBondContact ND2-N 3.01Å | ||
| 719 | H | 81 | Confident | 84.4 | Confident | 204 Ų | 204 | 70.3 Ų | 70.3 | 94% | 0.944 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.7 | -175.8 | -71.9 | -70 | 0 | 0 | 0 | 115.1 | ||
| 720 | N | 78.9 | Confident | 84.6 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -4.2 | -178.5 | -64.9 | 1.4 | 0 | 0 | 0 | 112.9 | N718 S722 | N718-N720 PolarHBondContact O-N 3.2Å; N718-N720 PolarHBondContact OD1-N 3.34Å; N720-S722 PolarHBondContact O-N 2.68Å |
| 721 | G | 82 | Confident | 85 | Confident | 7 Ų | 7 | 66 Ų | 66 | 7% | 0.072 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 67.7 | 10.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y703 N718 | Y703-G721 WeakPolarHBondContact CB-O 3.32Å; Y703-G721 PolarHBondContact N-O 3.44Å; N718-G721 PolarHBondContact O-N 2.92Å; N718-G721 PolarHBondContact OD1-N 3.2Å |
| 722 | S | 87.1 | Confident | 86 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -80.7 | -14.9 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 114 | F697 N718 N720 | F697-S722 PolarHBondContact N-O 2.89Å; N718-S722 PolarHBondContact ND2-OG 3.28Å; N718-S722 PolarHBondContact OD1-N 2.96Å; N720-S722 PolarHBondContact O-N 2.68Å |
| 723 | E | 90.8 | Very high | 86.7 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.9 | 175.1 | -174.5 | 164.6 | -173 | 0 | 0 | 109.4 | V694 G695 K696 A717 N718 | V694-E723 HydrophobicContact CG1-CG 4Å; V694-E723 WeakPolarHBondContact CG1-OE1 3.37Å; G695-E723 WeakPolarHBondContact O-CA 3.27Å; K696-E723 WeakPolarHBondContact CE-OE1 3.27Å; K696-E723 WeakPolarHBondContact CE-OE2 3.39Å; K696-E723 HydrophobicContact CG-CB 4.44Å; K696-E723 HydrophobicContact CG-CG 3.95Å; K696-E723 IonicContact NZ-OE1 3.67Å; K696-E723 IonicContact NZ-OE2 2.69Å; A717-E723 WeakPolarHBondContact CA-O 3.49Å; N718-E723 PolarHBondContact N-O 3.27Å; N718-E723 WeakPolarHBondContact ND2-CB 3.4Å; N718-E723 PolarHBondContact ND2-N 3.01Å |
| 724 | A | 92.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G695 F697 Y703 T716 A717 | G695-A724 PolarHBondContact N-O 2.98Å; G695-A724 PolarHBondContact O-N 3.44Å; F697-A724 HydrophobicContact CE2-CB 3.89Å; F697-A724 HydrophobicContact CZ-CB 4.47Å; Y703-A724 HydrophobicContact CD1-CB 4.5Å; Y703-A724 HydrophobicContact CD2-CB 3.67Å; Y703-A724 HydrophobicContact CE2-CB 4.16Å; Y703-A724 HydrophobicContact CG-CB 3.85Å; T716-A724 CarbonylContact O-C 3.54Å; T716-A724 VanDerWaalsContact O-CA 3.26Å; T716-A724 WeakPolarHBondContact O-CA 3.38Å; A717-A724 HydrophobicContact CB-CB 3.87Å |
| 725 | E | 92 | Very high | 86.7 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.7 | 173.3 | -53.2 | -159.1 | 148 | 0 | 0 | 109.7 | K692 L693 V694 C715 T716 | K692-E725 WeakPolarHBondContact CE-OE1 3.39Å; K692-E725 IonicContact NZ-OE1 3.21Å; K692-E725 PolarHBondContact NZ-OE1 3.11Å; K692-E725 IonicContact NZ-OE2 3.12Å; K692-E725 PolarHBondContact NZ-OE2 2.94Å; L693-E725 CarbonylContact O-C 3.49Å; L693-E725 WeakPolarHBondContact O-CA 3.36Å; V694-E725 HydrophobicContact CG2-CG 4.15Å; C715-E725 CarbonylContact C-O 3.59Å; C715-E725 WeakPolarHBondContact CA-O 3.47Å; T716-E725 PolarHBondContact N-O 2.88Å; T716-E725 PolarHBondContact O-N 3Å |
| 726 | C | 92.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.7 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | K692 L693 I713 L714 C715 L728 F740 | K692-C726 CarbonylContact C-O 3.6Å; K692-C726 VanDerWaalsContact CA-O 3.23Å; K692-C726 WeakPolarHBondContact CA-O 3.34Å; K692-C726 WeakPolarHBondContact CB-O 3.46Å; L693-C726 HydrophobicContact CB-CB 4.32Å; L693-C726 PolarHBondContact N-O 3.32Å; L693-C726 PolarHBondContact O-N 3.2Å; I713-C726 HydrophobicContact CG2-CB 3.99Å; L714-C726 CarbonylContact O-C 3.58Å; L714-C726 WeakPolarHBondContact O-CA 3.4Å; C715-C726 HydrophobicContact CB-CB 4.02Å; C715-C726 WeakPolarHBondContact CB-SG 3.47Å; C715-C726 WeakPolarHBondContact SG-CB 3.5Å; C715-C726 CovalentContact SG-SG 2.03Å; C715-C726 PolarHBondContact SG-SG 3.47Å; C726-L728 PolarHBondContact O-N 3.33Å; C726-F740 HydrophobicContact CB-CE2 4.15Å; C726-F740 HydrophobicContact CB-CZ 4.19Å |
| 727 | E | 90.7 | Very high | 86.7 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125 | 174.6 | -65 | -170.2 | 162.1 | 0 | 0 | 109.9 | I713 L714 | I713-E727 VanDerWaalsContact CD1-O 3.26Å; I713-E727 WeakPolarHBondContact CD1-O 3.31Å; L714-E727 PolarHBondContact O-N 3.34Å |
| 728 | L | 88.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -31.3 | 178.6 | -53.6 | 175.5 | 0 | 0 | 0 | 112.1 | V680 A691 L693 I713 C726 F732 V738 F740 L764 | V680-L728 HydrophobicContact CB-CD1 4.38Å; V680-L728 HydrophobicContact CG1-CD1 4Å; V680-L728 HydrophobicContact CG2-CD1 4.21Å; V680-L728 HydrophobicContact CG2-CD2 4.43Å; A691-L728 HydrophobicContact CB-CB 4.24Å; A691-L728 WeakPolarHBondContact O-CA 3.39Å; A691-L728 WeakPolarHBondContact O-CB 3.23Å; A691-L728 PolarHBondContact O-N 2.96Å; L693-L728 HydrophobicContact CB-CD2 4.46Å; I713-L728 HydrophobicContact CD1-CD2 3.98Å; C726-L728 PolarHBondContact O-N 3.33Å; L728-F732 HydrophobicContact CB-CD2 4.17Å; L728-F732 HydrophobicContact CB-CG 4.42Å; L728-F732 WeakPolarHBondContact O-CD2 3.27Å; L728-V738 HydrophobicContact CD2-CG1 4.21Å; L728-F740 HydrophobicContact CD2-CE1 3.63Å; L728-F740 HydrophobicContact CD2-CZ 3.88Å; L728-L764 HydrophobicContact CD1-CD2 3.56Å |
| 729 | G | 80.4 | Confident | 87 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | 154.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A691 F732 | A691-G729 PolarHBondContact N-O 3.46Å; A691-G729 VanDerWaalsContact N-O 3.11Å; A691-G729 PolarHBondContact O-N 3.21Å; G729-F732 PolarHBondContact O-N 3.33Å |
| 730 | N | 79.2 | Confident | 87.5 | Confident | 76 Ų | 76 | 53.9 Ų | 53.9 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 92.3 | 172.2 | -169.2 | 22.2 | 0 | 0 | 0 | 110.9 | E690 | E690-N730 PolarHBondContact N-OD1 2.7Š|
| 731 | P | 82 | Confident | 88.1 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -76.8 | 151.4 | -6.3 | 31.3 | -34.5 | 0 | 0 | 0 | 113.5 | D687 A688 F689 K733 | D687-P731 HydrophobicContact CB-CB 3.82Å; D687-P731 HydrophobicContact CB-CG 4.29Å; D687-P731 VanDerWaalsContact OD2-CG 3.26Å; D687-P731 WeakPolarHBondContact OD2-CG 3.38Å; A688-P731 WeakPolarHBondContact O-CA 3.37Å; F689-P731 HydrophobicContact CD1-CB 3.98Å; F689-P731 HydrophobicContact CE1-CB 3.91Å; F689-P731 HydrophobicContact CE1-CG 4.09Å; F689-P731 HydrophobicContact CG-CB 4.34Å; F689-P731 HydrophobicContact CZ-CB 4.2Å; F689-P731 HydrophobicContact CZ-CG 4.43Å; P731-K733 PolarHBondContact O-N 2.99Å |
| 732 | F | 87.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 100.5 | 160.3 | -178.2 | -109.2 | 0 | 0 | 0 | 108.4 | L636 V680 N682 A688 A691 L728 G729 S736 V738 | L636-F732 HydrophobicContact CD2-CD1 3.63Å; L636-F732 HydrophobicContact CD2-CE1 3.99Å; V680-F732 HydrophobicContact CG1-CE1 4.2Å; V680-F732 HydrophobicContact CG1-CZ 4.43Å; N682-F732 HydrophobicContact CB-CD1 3.78Å; N682-F732 HydrophobicContact CB-CE1 3.69Å; N682-F732 PolarHBondContact ND2-O 3Å; N682-F732 VanDerWaalsContact ND2-O 3.09Å; A688-F732 HydrophobicContact CB-CB 4.37Å; A688-F732 PolarHBondContact N-O 2.77Å; A688-F732 PolarHBondContact O-N 2.97Å; A691-F732 HydrophobicContact CB-CB 3.55Å; A691-F732 HydrophobicContact CB-CG 4.36Å; L728-F732 HydrophobicContact CB-CD2 4.17Å; L728-F732 HydrophobicContact CB-CG 4.42Å; L728-F732 WeakPolarHBondContact O-CD2 3.27Å; G729-F732 PolarHBondContact O-N 3.33Å; F732-S736 WeakPolarHBondContact CE2-OG 3.32Å; F732-S736 WeakPolarHBondContact CZ-OG 3.36Å; F732-V738 HydrophobicContact CE2-CB 4.11Å; F732-V738 HydrophobicContact CE2-CG1 3.73Å; F732-V738 HydrophobicContact CZ-CG1 4Å |
| 733 | K | 86.5 | Confident | 88.7 | Confident | 133 Ų | 133 | 46.6 Ų | 46.6 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | trans | -61.1 | 154.9 | -161.9 | -63.2 | -168.7 | 173.7 | -172.2 | 0 | 114.4 | N682 D687 P731 S736 | N682-K733 PolarHBondContact ND2-O 2.72Å; D687-K733 VanDerWaalsContact OD1-CA 3.29Å; D687-K733 WeakPolarHBondContact OD1-CA 3.5Å; P731-K733 PolarHBondContact O-N 2.99Å; K733-S736 PolarHBondContact N-OG 3.32Å; K733-S736 VanDerWaalsContact O-CB 3.27Å; K733-S736 WeakPolarHBondContact O-CB 3.27Å; K733-S736 PolarHBondContact O-N 3.45Å; K733-S736 VanDerWaalsContact O-N 3.13Å; K733-S736 PolarHBondContact O-OG 3.27Å | ||
| 734 | S | 86.6 | Confident | 88.6 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 137.1 | 169.1 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | G685 D687 S736 | G685-S734 WeakPolarHBondContact O-CB 3.34Å; G685-S734 PolarHBondContact O-OG 3.08Å; D687-S734 PolarHBondContact OD1-N 3.23Å; S734-S736 PolarHBondContact O-N 3.25Å; S734-S736 VanDerWaalsContact O-N 3.15Å |
| 735 | N | 86.3 | Confident | 88.2 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 16.7 | -177.1 | -53 | -57 | 0 | 0 | 0 | 115.3 | N682 N684 | N682-N735 WeakPolarHBondContact O-CA 3.4Å; N682-N735 PolarHBondContact O-N 2.96Å; N684-N735 PolarHBondContact N-OD1 2.86Å |
| 736 | S | 88.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | trans | -84.6 | 158.7 | 172.9 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | T681 N682 F732 K733 S734 | T681-S736 WeakPolarHBondContact CA-O 3.49Å; N682-S736 PolarHBondContact N-O 3.33Å; F732-S736 WeakPolarHBondContact CE2-OG 3.32Å; F732-S736 WeakPolarHBondContact CZ-OG 3.36Å; K733-S736 PolarHBondContact N-OG 3.32Å; K733-S736 VanDerWaalsContact O-CB 3.27Å; K733-S736 WeakPolarHBondContact O-CB 3.27Å; K733-S736 PolarHBondContact O-N 3.45Å; K733-S736 VanDerWaalsContact O-N 3.13Å; K733-S736 PolarHBondContact O-OG 3.27Å; S734-S736 PolarHBondContact O-N 3.25Å; S734-S736 VanDerWaalsContact O-N 3.15Å | ||
| 737 | K | 90.6 | Very high | 86 | Confident | 142 Ų | 142 | 44.2 Ų | 44.2 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.8 | -177 | -179 | 164.3 | -164.9 | 161.7 | 0 | 110.1 | T679 V680 T681 | T679-K737 VanDerWaalsContact CG2-CE 3.47Å; T679-K737 HydrophobicContact CG2-CG 4.35Å; V680-K737 WeakPolarHBondContact O-CA 3.31Å; T681-K737 HydrophobicContact CG2-CB 3.94Å; T681-K737 HydrophobicContact CG2-CD 3.58Å; T681-K737 HydrophobicContact CG2-CG 3.57Å |
| 738 | V | 91.4 | Very high | 84.4 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | 176.5 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | T679 V680 I713 L728 F732 F740 | T679-V738 CarbonylContact C-O 3.59Å; T679-V738 WeakPolarHBondContact CA-O 3.24Å; V680-V738 HydrophobicContact CB-CG1 4.22Å; V680-V738 PolarHBondContact N-O 3.4Å; V680-V738 PolarHBondContact O-N 3.02Å; I713-V738 HydrophobicContact CD1-CG1 4.27Å; I713-V738 HydrophobicContact CD1-CG2 3.77Å; I713-V738 HydrophobicContact CG1-CG2 3.88Å; L728-V738 HydrophobicContact CD2-CG1 4.21Å; F732-V738 HydrophobicContact CE2-CB 4.11Å; F732-V738 HydrophobicContact CE2-CG1 3.73Å; F732-V738 HydrophobicContact CZ-CG1 4Å; V738-F740 HydrophobicContact CG1-CE1 4.48Å |
| 739 | M | 91 | Very high | 82.8 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.4 | -179.4 | -176.1 | -81.2 | -63.5 | 0 | 0 | 110.4 | K677 V678 T679 S708 P709 | K677-M739 HydrophobicContact CG-SD 4.46Å; V678-M739 WeakPolarHBondContact O-CA 3.41Å; T679-M739 HydrophobicContact CG2-CB 4.38Å; T679-M739 WeakPolarHBondContact OG1-CG 3.32Å; S708-M739 PolarHBondContact OG-O 2.76Å; P709-M739 VanDerWaalsContact CD-O 3.31Å; P709-M739 WeakPolarHBondContact CD-O 3.49Å; P709-M739 HydrophobicContact CG-CE 3.71Å |
| 740 | F | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 167 | -179.3 | 57.9 | -82.3 | 0 | 0 | 0 | 111.2 | V678 L693 V706 R707 I713 C726 L728 V738 I742 | V678-F740 HydrophobicContact CB-CE2 4.43Å; V678-F740 HydrophobicContact CB-CZ 4.33Å; V678-F740 PolarHBondContact N-O 3.09Å; V678-F740 PolarHBondContact O-N 3.38Å; L693-F740 HydrophobicContact CD2-CE2 4.06Å; L693-F740 HydrophobicContact CD2-CZ 3.67Å; V706-F740 HydrophobicContact CG2-CB 4.16Å; V706-F740 HydrophobicContact CG2-CD2 3.76Å; V706-F740 HydrophobicContact CG2-CG 4.35Å; R707-F740 CarbonylContact O-C 3.51Å; R707-F740 WeakPolarHBondContact O-CA 3.33Å; I713-F740 HydrophobicContact CB-CG 4.45Å; I713-F740 HydrophobicContact CD1-CD1 4.33Å; I713-F740 HydrophobicContact CD1-CE1 4.34Å; I713-F740 HydrophobicContact CG1-CB 4.36Å; I713-F740 HydrophobicContact CG1-CD1 3.76Å; I713-F740 HydrophobicContact CG1-CE1 4.22Å; I713-F740 HydrophobicContact CG1-CG 4.13Å; I713-F740 HydrophobicContact CG2-CD1 4.38Å; I713-F740 HydrophobicContact CG2-CD2 4.21Å; I713-F740 HydrophobicContact CG2-CE1 4.45Å; I713-F740 HydrophobicContact CG2-CE2 4.27Å; I713-F740 HydrophobicContact CG2-CG 4.25Å; I713-F740 HydrophobicContact CG2-CZ 4.39Å; C726-F740 HydrophobicContact CB-CE2 4.15Å; C726-F740 HydrophobicContact CB-CZ 4.19Å; L728-F740 HydrophobicContact CD2-CE1 3.63Å; L728-F740 HydrophobicContact CD2-CZ 3.88Å; V738-F740 HydrophobicContact CG1-CE1 4.48Å; F740-I742 HydrophobicContact CD2-CG1 4.09Å; F740-I742 HydrophobicContact CE2-CD1 4.16Å; F740-I742 HydrophobicContact CE2-CG1 3.84Å |
| 741 | H | 90.8 | Very high | 80.3 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.111 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123 | 174.7 | -59 | 75.8 | 0 | 0 | 0 | 109.4 | F652 V676 K677 V706 R707 | F652-H741 HydrophobicContact CZ-CB 4.47Å; V676-H741 CarbonylContact O-C 3.35Å; V676-H741 WeakPolarHBondContact O-CA 3.38Å; K677-H741 WeakPolarHBondContact CG-NE2 3.42Å; V706-H741 CarbonylContact C-O 3.59Å; V706-H741 WeakPolarHBondContact CA-O 3.47Å; R707-H741 PolarHBondContact N-O 3.29Å; R707-H741 PolarHBondContact O-N 2.97Å |
| 742 | I | 91.8 | Very high | 79.2 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.8 | 168 | -56.3 | 176.1 | 0 | 0 | 0 | 107.2 | A675 V676 V678 L693 F697 Y703 F740 L744 | A675-I742 CarbonylContact C-O 3.45Å; A675-I742 WeakPolarHBondContact CA-O 3.29Å; V676-I742 HydrophobicContact CB-CB 4.37Å; V676-I742 PolarHBondContact N-O 2.94Å; V676-I742 PolarHBondContact O-N 3.22Å; V678-I742 HydrophobicContact CG2-CD1 4.3Å; L693-I742 HydrophobicContact CD2-CD1 4.09Å; F697-I742 HydrophobicContact CZ-CG2 4.04Å; Y703-I742 HydrophobicContact CD2-CG2 3.82Å; Y703-I742 HydrophobicContact CE2-CG2 4.04Å; F740-I742 HydrophobicContact CD2-CG1 4.09Å; F740-I742 HydrophobicContact CE2-CD1 4.16Å; F740-I742 HydrophobicContact CE2-CG1 3.84Å; I742-L744 HydrophobicContact CG2-CD2 3.86Å; I742-L744 HydrophobicContact CG2-CG 4.46Å |
| 743 | I | 89.7 | Confident | 77.8 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.4 | -178 | -53.1 | 171.8 | 0 | 0 | 0 | 108.2 | K645 A673 S704 G705 R707 | K645-I743 HydrophobicContact CD-CD1 4.33Å; K645-I743 HydrophobicContact CD-CG2 3.84Å; A673-I743 HydrophobicContact CB-CG2 4.43Å; S704-I743 WeakPolarHBondContact CA-O 3.44Å; S704-I743 WeakPolarHBondContact CB-O 3.39Å; S704-I743 PolarHBondContact N-O 2.94Å; G705-I743 PolarHBondContact N-O 2.9Å; G705-I743 WeakPolarHBondContact O-CB 3.38Å; G705-I743 PolarHBondContact O-N 3.29Å; R707-I743 HydrophobicContact CB-CD1 4.31Å |
| 744 | L | 89.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130 | -179 | -54.1 | 179.4 | 0 | 0 | 0 | 109.6 | A673 L674 V676 F697 L701 S702 I742 I760 | A673-L744 CarbonylContact C-O 3.55Å; A673-L744 VanDerWaalsContact CA-O 3.27Å; A673-L744 WeakPolarHBondContact CA-O 3.37Å; L674-L744 HydrophobicContact CB-CB 4.47Å; L674-L744 PolarHBondContact N-O 3.26Å; L674-L744 PolarHBondContact O-N 3.48Å; V676-L744 HydrophobicContact CG2-CD1 3.85Å; V676-L744 HydrophobicContact CG2-CG 4.48Å; F697-L744 HydrophobicContact CD1-CD1 3.63Å; F697-L744 HydrophobicContact CD1-CD2 3.78Å; F697-L744 HydrophobicContact CD1-CG 4.38Å; F697-L744 HydrophobicContact CD2-CD2 4.02Å; F697-L744 HydrophobicContact CE1-CD1 3.91Å; F697-L744 HydrophobicContact CE1-CD2 3.73Å; F697-L744 HydrophobicContact CE1-CG 4.43Å; F697-L744 HydrophobicContact CE2-CD2 3.96Å; F697-L744 HydrophobicContact CG-CD1 4.32Å; F697-L744 HydrophobicContact CG-CD2 3.95Å; F697-L744 HydrophobicContact CZ-CD2 3.82Å; L701-L744 HydrophobicContact CB-CB 4.4Å; L701-L744 HydrophobicContact CB-CD1 4.4Å; L701-L744 HydrophobicContact CD1-CD1 4.1Å; L701-L744 HydrophobicContact CD2-CB 4.1Å; S702-L744 CarbonylContact O-C 3.56Å; S702-L744 VanDerWaalsContact O-CA 3.28Å; S702-L744 WeakPolarHBondContact O-CA 3.31Å; I742-L744 HydrophobicContact CG2-CD2 3.86Å; I742-L744 HydrophobicContact CG2-CG 4.46Å; L744-I760 HydrophobicContact CD1-CD1 3.8Å |
| 745 | S | 83.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.9 | 173.6 | -74.9 | 0 | 0 | 0 | 0 | 110.2 | L701 S702 S704 | L701-S745 WeakPolarHBondContact CA-O 3.28Å; S702-S745 PolarHBondContact N-O 2.87Å; S702-S745 PolarHBondContact O-N 2.84Å; S704-S745 WeakPolarHBondContact CB-OG 3.37Å; S704-S745 PolarHBondContact OG-OG 2.93Å |
| 746 | A | 76.6 | Confident | 75.2 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F665 L667 K672 I700 L701 H748 | F665-A746 HydrophobicContact CZ-CB 4.46Å; L667-A746 HydrophobicContact CD1-CB 4.05Å; K672-A746 PolarHBondContact O-N 2.95Å; I700-A746 WeakPolarHBondContact O-CA 3.34Å; L701-A746 HydrophobicContact CD2-CB 4.4Å; A746-H748 PolarHBondContact O-N 3.48Å |
| 747 | A | 62.7 | Low | 74.9 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | trans | -89.3 | 104.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I700 N749 A750 | I700-A747 PolarHBondContact O-N 2.89Å; A747-N749 PolarHBondContact O-N 2.92Å; A747-A750 HydrophobicContact CB-CB 4.06Å; A747-A750 PolarHBondContact O-N 3.44Å | ||
| 748 | H | 56.5 | Low | 74.7 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -32.4 | -176.3 | -63.9 | -67.8 | 0 | 0 | 0 | 114.7 | A746 | A746-H748 PolarHBondContact O-N 3.48Š|
| 749 | N | 54.7 | Low | 74.6 | Confident | 133 Ų | 133 | 45.4 Ų | 45.4 | 71% | 0.711 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.4 | -178.7 | -61.4 | 6.1 | 0 | 0 | 0 | 114.1 | A747 P832 | A747-N749 PolarHBondContact O-N 2.92Å; N749-P832 WeakPolarHBondContact OD1-CD 3.37Å |
| 750 | A | 50.7 | Low | 74.6 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 26% | 0.256 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E699 A747 K752 | E699-A750 WeakPolarHBondContact O-CB 3.35Å; A747-A750 HydrophobicContact CB-CB 4.06Å; A747-A750 PolarHBondContact O-N 3.44Å; A750-K752 PolarHBondContact O-N 3Å |
| 751 | V | 57.2 | Low | 74.6 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | trans | -80.1 | 98 | -178.4 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | L667 I700 | L667-V751 HydrophobicContact CD2-CG1 4.18Å; L667-V751 HydrophobicContact CD2-CG2 3.85Å; I700-V751 HydrophobicContact CD1-CG1 4.34Å; I700-V751 HydrophobicContact CD1-CG2 3.91Å; I700-V751 HydrophobicContact CG1-CG2 3.98Å | ||
| 752 | K | 59.4 | Low | 74.7 | Confident | 109 Ų | 109 | 43.8 Ų | 43.8 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | trans | -74.6 | 133.8 | 164.8 | -56.4 | 165.2 | -177 | 140.1 | 0 | 108.5 | E699 A750 D754 T755 | E699-K752 IonicContact OE2-NZ 3.84Å; E699-K752 PolarHBondContact OE2-NZ 3.15Å; E699-K752 VanDerWaalsContact OE2-NZ 3.07Å; A750-K752 PolarHBondContact O-N 3Å; K752-D754 VanDerWaalsContact C-OD1 3.3Å; K752-D754 WeakPolarHBondContact CB-OD1 3.47Å; K752-D754 PolarHBondContact O-N 3.18Å; K752-T755 VanDerWaalsContact O-CB 3.26Å; K752-T755 WeakPolarHBondContact O-CB 3.19Å; K752-T755 PolarHBondContact O-N 3.02Å; K752-T755 PolarHBondContact O-OG1 3.39Å | ||
| 753 | L | 58.8 | Low | 74.7 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.3 | -169.2 | -67.9 | 95.9 | 0 | 0 | 0 | 114.7 | T755 I834 L837 N976 I977 | L753-T755 VanDerWaalsContact C-N 3.27Å; L753-I834 HydrophobicContact CD1-CG2 3.65Å; L753-I834 HydrophobicContact CD2-CG2 3.95Å; L753-I834 HydrophobicContact CG-CG2 4.38Å; L753-L837 HydrophobicContact CD2-CD1 3.92Å; L753-L837 HydrophobicContact CD2-CD2 3.97Å; L753-L837 HydrophobicContact CD2-CG 3.95Å; L753-N976 PolarHBondContact O-ND2 3.29Å; L753-I977 HydrophobicContact CB-CD1 4.1Å; L753-I977 HydrophobicContact CD2-CD1 4.06Å |
| 754 | D | 60.7 | Low | 74.8 | Confident | 120 Ų | 120 | 46.8 Ų | 46.8 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -12.8 | 168.3 | 56.4 | -8 | 0 | 0 | 0 | 113.5 | K752 T756 | K752-D754 VanDerWaalsContact C-OD1 3.3Å; K752-D754 WeakPolarHBondContact CB-OD1 3.47Å; K752-D754 PolarHBondContact O-N 3.18Å; D754-T756 PolarHBondContact O-N 3.02Å |
| 755 | T | 70.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | trans | -65.2 | 107.9 | 178.9 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | K752 L753 V781 N976 | K752-T755 VanDerWaalsContact O-CB 3.26Å; K752-T755 WeakPolarHBondContact O-CB 3.19Å; K752-T755 PolarHBondContact O-N 3.02Å; K752-T755 PolarHBondContact O-OG1 3.39Å; L753-T755 VanDerWaalsContact C-N 3.27Å; T755-V781 HydrophobicContact CG2-CG2 4.23Å; T755-N976 PolarHBondContact O-ND2 3.36Å | ||
| 756 | T | 73.8 | Confident | 74.9 | Confident | 76 Ų | 76 | 50 Ų | 50 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | trans | -101 | -31.2 | 178.5 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | D754 K780 V781 N976 | D754-T756 PolarHBondContact O-N 3.02Å; T756-K780 WeakPolarHBondContact O-CA 3.44Å; T756-V781 PolarHBondContact O-N 2.98Å; T756-N976 HydrophobicContact CG2-CB 4.27Å | ||
| 757 | E | 82.6 | Confident | 75.1 | Confident | 87 Ų | 87 | 51.1 Ų | 51.1 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.5 | 171.7 | 63.8 | 171.9 | -132.1 | 0 | 0 | 111.6 | K778 S779 | E757-K778 IonicContact OE1-NZ 2.7Å; E757-K778 PolarHBondContact OE1-NZ 2.78Å; E757-S779 CarbonylContact C-O 3.57Å; E757-S779 VanDerWaalsContact CA-O 3.23Å; E757-S779 WeakPolarHBondContact CA-O 3.3Å; E757-S779 WeakPolarHBondContact CB-O 3.41Å |
| 758 | F | 85.8 | Confident | 76.1 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 161.9 | 167.2 | 69 | -108.7 | 0 | 0 | 0 | 110.7 | F665 L674 P698 I700 L701 I760 K778 S779 V781 | F665-F758 HydrophobicContact CB-CE1 4.12Å; F665-F758 HydrophobicContact CB-CZ 4.45Å; F665-F758 HydrophobicContact CD1-CE1 4.08Å; F665-F758 HydrophobicContact CG-CE1 4.32Å; L674-F758 HydrophobicContact CD2-CE2 4.2Å; L674-F758 HydrophobicContact CD2-CZ 3.76Å; P698-F758 HydrophobicContact CG-CB 3.96Å; P698-F758 HydrophobicContact CG-CD2 4.22Å; P698-F758 HydrophobicContact CG-CG 4.31Å; I700-F758 HydrophobicContact CG2-CB 4.19Å; I700-F758 HydrophobicContact CG2-CD1 4.46Å; I700-F758 HydrophobicContact CG2-CG 4.45Å; L701-F758 HydrophobicContact CD1-CD2 4.04Å; L701-F758 HydrophobicContact CD1-CE1 4.33Å; L701-F758 HydrophobicContact CD1-CE2 3.71Å; L701-F758 HydrophobicContact CD1-CZ 3.87Å; F758-I760 HydrophobicContact CD2-CD1 4.41Å; F758-I760 HydrophobicContact CD2-CG1 4.12Å; F758-I760 HydrophobicContact CE2-CD1 3.8Å; F758-I760 HydrophobicContact CE2-CG1 4.01Å; F758-K778 WeakPolarHBondContact O-CA 3.45Å; F758-S779 PolarHBondContact N-O 3.4Å; F758-S779 PolarHBondContact O-N 2.93Å; F758-V781 HydrophobicContact CD1-CG2 3.51Å; F758-V781 HydrophobicContact CE1-CG2 4.02Å |
| 759 | E | 88.4 | Confident | 77.4 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.6 | -179.7 | -163 | 163.8 | 124.5 | 0 | 0 | 109.7 | P698 K776 I777 K778 | P698-E759 WeakPolarHBondContact CD-O 3.15Å; P698-E759 WeakPolarHBondContact CG-O 3.35Å; E759-K776 HydrophobicContact CG-CB 4.13Å; E759-K776 WeakPolarHBondContact OE1-CD 3.31Å; E759-K776 WeakPolarHBondContact OE1-CE 3.47Å; E759-K776 IonicContact OE1-NZ 2.64Å; E759-K776 PolarHBondContact OE1-NZ 3.06Å; E759-I777 WeakPolarHBondContact CA-O 3.45Å; E759-K778 HydrophobicContact CB-CG 4.49Å; E759-K778 HydrophobicContact CG-CG 4.08Å; E759-K778 WeakPolarHBondContact OE2-CE 3.12Å; E759-K778 WeakPolarHBondContact OE2-CG 3.16Å; E759-K778 IonicContact OE2-NZ 3.87Å; E759-K778 PolarHBondContact OE2-NZ 3.2Å |
| 760 | I | 90.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.9 | 173.4 | -64.8 | 168.7 | 0 | 0 | 0 | 108.2 | L642 L674 V676 F697 L701 L744 F758 L762 I777 | L642-I760 HydrophobicContact CD2-CD1 4.34Å; L674-I760 HydrophobicContact CD2-CD1 4.19Å; V676-I760 HydrophobicContact CG2-CD1 4.03Å; F697-I760 HydrophobicContact CD1-CG2 3.83Å; F697-I760 HydrophobicContact CE1-CG2 3.94Å; L701-I760 HydrophobicContact CD1-CD1 3.94Å; L701-I760 HydrophobicContact CD1-CG1 4.3Å; L744-I760 HydrophobicContact CD1-CD1 3.8Å; F758-I760 HydrophobicContact CD2-CD1 4.41Å; F758-I760 HydrophobicContact CD2-CG1 4.12Å; F758-I760 HydrophobicContact CE2-CD1 3.8Å; F758-I760 HydrophobicContact CE2-CG1 4.01Å; I760-L762 HydrophobicContact CG2-CD2 4.06Å; I760-L762 HydrophobicContact CG2-CG 4.35Å; I760-I777 HydrophobicContact CB-CB 4.34Å; I760-I777 PolarHBondContact N-O 3.12Å; I760-I777 PolarHBondContact O-N 3.21Å |
| 761 | D | 91.9 | Very high | 80.2 | Confident | 50 Ų | 50 | 52 Ų | 52 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.8 | -178.9 | -78.2 | -5.7 | 0 | 0 | 0 | 110.7 | G695 K696 K776 | G695-D761 WeakPolarHBondContact CA-O 3.42Å; K696-D761 HydrophobicContact CB-CB 4.2Å; K696-D761 PolarHBondContact N-O 2.96Å; K696-D761 PolarHBondContact O-N 3.31Å; K696-D761 VanDerWaalsContact O-N 3.08Å; D761-K776 WeakPolarHBondContact OD1-CG 3.23Å; D761-K776 IonicContact OD1-NZ 2.67Å; D761-K776 PolarHBondContact OD1-NZ 2.99Å; D761-K776 IonicContact OD2-NZ 2.66Å; D761-K776 PolarHBondContact OD2-NZ 3.27Å |
| 762 | L | 92.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.1 | 176.6 | -62.5 | -172.5 | 0 | 0 | 0 | 110.4 | M638 N640 V676 V678 L693 I760 V775 I777 | M638-L762 HydrophobicContact CE-CB 3.57Å; M638-L762 HydrophobicContact CE-CD1 4.26Å; M638-L762 HydrophobicContact SD-CB 4.11Å; M638-L762 HydrophobicContact SD-CD1 4.08Å; N640-L762 HydrophobicContact CB-CD1 4.39Å; V676-L762 HydrophobicContact CG1-CD1 4.14Å; V678-L762 HydrophobicContact CG2-CD1 4.03Å; L693-L762 HydrophobicContact CD1-CB 4.28Å; I760-L762 HydrophobicContact CG2-CD2 4.06Å; I760-L762 HydrophobicContact CG2-CG 4.35Å; L762-V775 PolarHBondContact N-O 3.43Å; L762-V775 PolarHBondContact O-N 3.47Å; L762-I777 HydrophobicContact CD1-CD1 3.73Å; L762-I777 HydrophobicContact CG-CD1 4.19Å |
| 763 | H | 92.4 | Very high | 82.7 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 114.8 | -176.5 | -167.1 | -51.8 | 0 | 0 | 0 | 110.9 | V694 | V694-H763 PolarHBondContact N-O 3.3Å; V694-H763 PolarHBondContact O-N 2.93Å |
| 764 | L | 92.4 | Very high | 83.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 142.2 | 170.5 | -75.6 | 172 | 0 | 0 | 0 | 110.6 | L636 M638 V680 L693 L728 I772 | L636-L764 HydrophobicContact CB-CD1 4.13Å; M638-L764 HydrophobicContact CB-CD1 3.79Å; M638-L764 HydrophobicContact SD-CG 4.36Å; V680-L764 HydrophobicContact CG1-CD1 4.01Å; V680-L764 HydrophobicContact CG1-CD2 4.06Å; V680-L764 HydrophobicContact CG2-CD2 4.02Å; L693-L764 HydrophobicContact CB-CD2 4.02Å; L693-L764 HydrophobicContact CD1-CD2 3.84Å; L693-L764 HydrophobicContact CD1-CG 4.07Å; L728-L764 HydrophobicContact CD1-CD2 3.56Å; L764-I772 HydrophobicContact CB-CD1 4.27Å; L764-I772 HydrophobicContact CB-CG2 3.86Å |
| 765 | Q | 88.1 | Confident | 85.2 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.5 | 178.3 | -64.1 | -176.1 | -3.1 | 0 | 0 | 110 | A691 K692 V694 | A691-Q765 WeakPolarHBondContact CA-O 3.33Å; K692-Q765 HydrophobicContact CG-CB 3.99Å; K692-Q765 PolarHBondContact N-O 3.39Å; K692-Q765 PolarHBondContact O-N 3.15Å; V694-Q765 HydrophobicContact CG2-CG 4.31Å |
| 766 | T | 87.1 | Confident | 86.1 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | trans | -157.7 | 157.8 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | L636 F689 S768 I772 | L636-T766 HydrophobicContact CD1-CG2 3.76Å; F689-T766 WeakPolarHBondContact O-CA 3.48Å; F689-T766 WeakPolarHBondContact O-CB 3.43Å; F689-T766 PolarHBondContact O-OG1 3.12Å; T766-S768 WeakPolarHBondContact OG1-CB 3.41Å; T766-S768 PolarHBondContact OG1-N 2.64Å; T766-S768 PolarHBondContact OG1-OG 3.41Å; T766-S768 VanDerWaalsContact OG1-OG 3.08Å; T766-I772 HydrophobicContact CG2-CD1 4.11Å | ||
| 767 | T | 80.1 | Confident | 86.7 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -83.7 | 3 | 168.5 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | M577 F689 E690 | M577-T767 WeakPolarHBondContact CE-O 3.25Å; F689-T767 WeakPolarHBondContact CB-OG1 3.47Å; F689-T767 PolarHBondContact O-N 3.03Å; F689-T767 PolarHBondContact O-OG1 3.08Å; E690-T767 HydrophobicContact CB-CG2 4.21Å |
| 768 | S | 84.7 | Confident | 86.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -89.1 | 157.8 | 178.2 | -46.4 | 0 | 0 | 0 | 0 | 111.7 | A688 F689 T766 Q770 | A688-S768 WeakPolarHBondContact CA-OG 3.44Å; F689-S768 PolarHBondContact N-OG 2.84Å; T766-S768 WeakPolarHBondContact OG1-CB 3.41Å; T766-S768 PolarHBondContact OG1-N 2.64Å; T766-S768 PolarHBondContact OG1-OG 3.41Å; T766-S768 VanDerWaalsContact OG1-OG 3.08Å; S768-Q770 PolarHBondContact O-N 3.42Å; S768-Q770 VanDerWaalsContact O-N 3.14Å |
| 769 | S | 82.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -77.7 | 101.9 | -174.9 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | C632 | C632-S769 WeakPolarHBondContact O-CB 3.24Å; C632-S769 PolarHBondContact O-N 3.37Å |
| 770 | Q | 83.4 | Confident | 86.7 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -155.8 | 141 | 174.3 | -172.1 | -176 | -15.2 | 0 | 0 | 110.2 | S634 L636 S768 I772 | S634-Q770 VanDerWaalsContact C-OE1 3.24Å; S634-Q770 VanDerWaalsContact O-CD 3.32Å; S634-Q770 WeakPolarHBondContact O-CG 3.41Å; S634-Q770 PolarHBondContact O-OE1 2.86Å; S634-Q770 WeakPolarHBondContact OG-CB 3.44Å; S634-Q770 PolarHBondContact OG-OE1 2.82Å; L636-Q770 PolarHBondContact O-NE2 2.85Å; S768-Q770 PolarHBondContact O-N 3.42Å; S768-Q770 VanDerWaalsContact O-N 3.14Å; Q770-I772 HydrophobicContact CB-CD1 4.45Å; Q770-I772 HydrophobicContact CB-CG1 4.2Å; Q770-I772 HydrophobicContact CG-CD1 4.37Å; Q770-I772 HydrophobicContact CG-CG1 3.82Å | ||
| 771 | N | 82.3 | Confident | 86.2 | Confident | 156 Ų | 156 | 50.8 Ų | 50.8 | 83% | 0.834 | 28% | 0.276 | S | S | * | . | trans | -86.4 | 125.3 | 165.5 | -169.1 | 2.8 | 0 | 0 | 0 | 109.2 | ||||
| 772 | I | 85 | Confident | 85.5 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | trans | -128.6 | 118.8 | -173 | -60.7 | -178.7 | 0 | 0 | 0 | 109.1 | L636 L764 T766 Q770 | L636-I772 HydrophobicContact CB-CD1 4.34Å; L636-I772 HydrophobicContact CD1-CD1 4.18Å; L764-I772 HydrophobicContact CB-CD1 4.27Å; L764-I772 HydrophobicContact CB-CG2 3.86Å; T766-I772 HydrophobicContact CG2-CD1 4.11Å; Q770-I772 HydrophobicContact CB-CD1 4.45Å; Q770-I772 HydrophobicContact CB-CG1 4.2Å; Q770-I772 HydrophobicContact CG-CD1 4.37Å; Q770-I772 HydrophobicContact CG-CG1 3.82Å | ||
| 773 | S | 82.7 | Confident | 84.6 | Confident | 99 Ų | 99 | 50 Ų | 50 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | trans | -82.3 | 139.8 | 174 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 774 | A | 84.8 | Confident | 83.7 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | trans | -64.5 | 142.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 775 | V | 88.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | M638 L762 | M638-V775 HydrophobicContact CE-CB 3.67Å; M638-V775 HydrophobicContact CE-CG2 3.54Å; L762-V775 PolarHBondContact N-O 3.43Å; L762-V775 PolarHBondContact O-N 3.47Å |
| 776 | K | 88.2 | Confident | 82.1 | Confident | 111 Ų | 111 | 45.7 Ų | 45.7 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116 | -172.6 | -50.9 | -175.1 | 124.7 | -70.8 | 0 | 109.7 | E759 D761 | E759-K776 HydrophobicContact CG-CB 4.13Å; E759-K776 WeakPolarHBondContact OE1-CD 3.31Å; E759-K776 WeakPolarHBondContact OE1-CE 3.47Å; E759-K776 IonicContact OE1-NZ 2.64Å; E759-K776 PolarHBondContact OE1-NZ 3.06Å; D761-K776 WeakPolarHBondContact OD1-CG 3.23Å; D761-K776 IonicContact OD1-NZ 2.67Å; D761-K776 PolarHBondContact OD1-NZ 2.99Å; D761-K776 IonicContact OD2-NZ 2.66Å; D761-K776 PolarHBondContact OD2-NZ 3.27Å |
| 777 | I | 87.4 | Confident | 81.7 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 105.5 | -175.6 | -47.8 | 174.6 | 0 | 0 | 0 | 109.3 | N640 L642 V676 E759 I760 L762 | N640-I777 HydrophobicContact CB-CD1 4.21Å; N640-I777 WeakPolarHBondContact OD1-CD1 3.3Å; N640-I777 WeakPolarHBondContact OD1-CG1 3.49Å; L642-I777 HydrophobicContact CD1-CG2 3.89Å; L642-I777 HydrophobicContact CD2-CG2 4.19Å; L642-I777 HydrophobicContact CG-CG2 3.93Å; V676-I777 HydrophobicContact CG1-CD1 3.88Å; E759-I777 WeakPolarHBondContact CA-O 3.45Å; I760-I777 HydrophobicContact CB-CB 4.34Å; I760-I777 PolarHBondContact N-O 3.12Å; I760-I777 PolarHBondContact O-N 3.21Å; L762-I777 HydrophobicContact CD1-CD1 3.73Å; L762-I777 HydrophobicContact CG-CD1 4.19Å |
| 778 | K | 86.9 | Confident | 81.7 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 140.2 | 173.2 | -72.7 | -177.6 | 173.2 | -67.1 | 0 | 112 | E757 F758 E759 | E757-K778 IonicContact OE1-NZ 2.7Å; E757-K778 PolarHBondContact OE1-NZ 2.78Å; F758-K778 WeakPolarHBondContact O-CA 3.45Å; E759-K778 HydrophobicContact CB-CG 4.49Å; E759-K778 HydrophobicContact CG-CG 4.08Å; E759-K778 WeakPolarHBondContact OE2-CE 3.12Å; E759-K778 WeakPolarHBondContact OE2-CG 3.16Å; E759-K778 IonicContact OE2-NZ 3.87Å; E759-K778 PolarHBondContact OE2-NZ 3.2Å |
| 779 | S | 85.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.3 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | P663 E757 F758 | P663-S779 PolarHBondContact O-OG 3.41Å; E757-S779 CarbonylContact C-O 3.57Å; E757-S779 VanDerWaalsContact CA-O 3.23Å; E757-S779 WeakPolarHBondContact CA-O 3.3Å; E757-S779 WeakPolarHBondContact CB-O 3.41Å; F758-S779 PolarHBondContact N-O 3.4Å; F758-S779 PolarHBondContact O-N 2.93Å |
| 780 | K | 83.1 | Confident | 81.9 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 27% | 0.274 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 149.4 | 171.7 | -69.4 | -178.9 | 178.9 | 177.7 | 0 | 111 | S658 I662 P663 E664 F665 T756 | S658-K780 PolarHBondContact OG-NZ 3.14Å; I662-K780 HydrophobicContact CG2-CG 4.2Å; P663-K780 PolarHBondContact O-N 2.72Å; E664-K780 HydrophobicContact CG-CB 4.42Å; F665-K780 PolarHBondContact N-O 2.88Å; T756-K780 WeakPolarHBondContact O-CA 3.44Å |
| 781 | V | 80.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.9 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 110 | I700 T755 T756 F758 N976 | I700-V781 HydrophobicContact CD1-CG2 4.46Å; T755-V781 HydrophobicContact CG2-CG2 4.23Å; T756-V781 PolarHBondContact O-N 2.98Å; F758-V781 HydrophobicContact CD1-CG2 3.51Å; F758-V781 HydrophobicContact CE1-CG2 4.02Å; V781-N976 WeakPolarHBondContact O-CB 3.43Å |
| 782 | I | 77.7 | Confident | 82.5 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.138 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.7 | 169.9 | -56.5 | 173.7 | 0 | 0 | 0 | 108 | F665 R666 L667 N976 I978 | F665-I782 PolarHBondContact O-N 3.42Å; R666-I782 WeakPolarHBondContact CA-O 3.26Å; R666-I782 HydrophobicContact CG-CB 4.35Å; L667-I782 PolarHBondContact N-O 3.42Å; I782-N976 WeakPolarHBondContact CA-O 3.19Å; I782-I978 HydrophobicContact CG2-CD1 3.75Å; I782-I978 HydrophobicContact CG2-CG1 4.16Å |
| 783 | T | 74.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.5 | -174.7 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | V785 W830 N976 I978 | T783-V785 HydrophobicContact CG2-CG2 4.16Å; T783-W830 HydrophobicContact CG2-CH2 4.49Å; T783-N976 PolarHBondContact N-O 2.69Å; T783-I978 PolarHBondContact O-N 3.45Å |
| 784 | E | 74.3 | Confident | 82.8 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.5 | 173.9 | -61.4 | -165.8 | 157.3 | 0 | 0 | 110.9 | L667 T668 P786 I978 K980 | L667-E784 PolarHBondContact O-N 3.45Å; L667-E784 VanDerWaalsContact O-N 3.13Å; T668-E784 HydrophobicContact CG2-CG 4.39Å; E784-P786 WeakPolarHBondContact O-CD 3.07Å; E784-I978 WeakPolarHBondContact CA-O 3.04Å; E784-I978 HydrophobicContact CG-CB 4.41Å; E784-K980 IonicContact OE1-NZ 3.73Å; E784-K980 PolarHBondContact OE1-NZ 2.89Å; E784-K980 IonicContact OE2-NZ 2.98Å; E784-K980 PolarHBondContact OE2-NZ 3.33Å |
| 785 | V | 73.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.5 | -176 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | T783 L787 I834 I977 I978 L979 K980 | T783-V785 HydrophobicContact CG2-CG2 4.16Å; V785-L787 HydrophobicContact CG1-CD2 4.21Å; V785-L787 HydrophobicContact CG1-CG 4.17Å; V785-I834 HydrophobicContact CG1-CD1 4.26Å; V785-I977 HydrophobicContact CG2-CG2 3.98Å; V785-I978 PolarHBondContact N-O 3.29Å; V785-L979 HydrophobicContact CB-CD1 4.42Å; V785-L979 HydrophobicContact CG1-CD1 4.48Å; V785-K980 PolarHBondContact O-N 2.84Å |
| 786 | P | 73.1 | Confident | 82.6 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 16% | 0.156 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.5 | -179.9 | 34.1 | -31.3 | 0 | 0 | 0 | 112.1 | E784 L829 | E784-P786 WeakPolarHBondContact O-CD 3.07Å; P786-L829 HydrophobicContact CB-CD1 4.36Å; P786-L829 HydrophobicContact CG-CB 4.28Å |
| 787 | L | 77.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.8 | 176.2 | -61 | -172.5 | 0 | 0 | 0 | 111.7 | V785 N828 L839 I934 L968 L979 K980 S981 | V785-L787 HydrophobicContact CG1-CD2 4.21Å; V785-L787 HydrophobicContact CG1-CG 4.17Å; L787-N828 HydrophobicContact CD2-CB 4Å; L787-L839 HydrophobicContact CD1-CD1 3.58Å; L787-I934 HydrophobicContact CD1-CG2 4.07Å; L787-I934 HydrophobicContact CD2-CG2 3.95Å; L787-L968 HydrophobicContact CB-CD1 4.37Å; L787-L968 HydrophobicContact CD1-CD1 4.32Å; L787-L979 HydrophobicContact CD1-CD1 3.92Å; L787-L979 HydrophobicContact CG-CD1 4.12Å; L787-K980 PolarHBondContact N-O 3.44Å; L787-S981 WeakPolarHBondContact O-CA 3.36Å; L787-S981 VanDerWaalsContact O-CB 3.29Å; L787-S981 WeakPolarHBondContact O-CB 3.47Å |
| 788 | I | 80.2 | Confident | 82.4 | Confident | 71 Ų | 71 | 46 Ų | 46 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.9 | 173 | -62.2 | 176.7 | 0 | 0 | 0 | 109.3 | S827 L829 | I788-S827 PolarHBondContact N-O 2.8Å; I788-S827 PolarHBondContact O-N 2.87Å; I788-L829 HydrophobicContact CD1-CD1 4.02Å; I788-L829 HydrophobicContact CD1-CD2 3.91Å; I788-L829 HydrophobicContact CD1-CG 4.07Å; I788-L829 HydrophobicContact CG1-CD1 4.26Å; I788-L829 HydrophobicContact CG1-CG 4.37Å |
| 789 | L | 85.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.8 | 166.3 | 179.2 | 63.3 | 0 | 0 | 0 | 109.2 | I826 L841 A966 L968 F984 | L789-I826 HydrophobicContact CD1-CG1 4.1Å; L789-L841 HydrophobicContact CD1-CD1 3.73Å; L789-L841 HydrophobicContact CD2-CD1 4.11Å; L789-A966 HydrophobicContact CD2-CB 4.03Å; L789-A966 WeakPolarHBondContact CD2-O 3.22Å; L789-L968 HydrophobicContact CB-CD1 4.23Å; L789-L968 HydrophobicContact CD2-CG 4.41Å; L789-F984 HydrophobicContact CD2-CB 3.94Å; L789-F984 HydrophobicContact CG-CB 3.97Å; L789-F984 WeakPolarHBondContact O-CD2 3.39Å |
| 790 | S | 86.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.9 | 176.8 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | F824 R825 | S790-F824 CarbonylContact O-C 3.54Å; S790-F824 WeakPolarHBondContact O-CA 3.12Å; S790-R825 PolarHBondContact N-O 2.96Å; S790-R825 PolarHBondContact O-N 3.25Å; S790-R825 PolarHBondContact OG-O 2.87Å |
| 791 | G | 87.8 | Confident | 81.7 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 155.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T823 F984 | G791-T823 CarbonylContact C-O 3.56Å; G791-T823 WeakPolarHBondContact CA-O 3.26Å; G791-F984 WeakPolarHBondContact O-CE1 3.27Å; G791-F984 WeakPolarHBondContact O-CZ 3.47Å |
| 792 | E | 90.3 | Very high | 81.4 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 166.2 | 176.4 | 63.5 | 171.6 | 166.7 | 0 | 0 | 112 | K794 F822 T823 | E792-K794 VanDerWaalsContact CD-CE 3.46Å; E792-K794 WeakPolarHBondContact OE1-CE 3.48Å; E792-K794 IonicContact OE1-NZ 3.56Å; E792-K794 PolarHBondContact OE1-NZ 2.96Å; E792-K794 WeakPolarHBondContact OE2-CE 3.07Å; E792-K794 IonicContact OE2-NZ 3.42Å; E792-F822 WeakPolarHBondContact O-CA 3.08Å; E792-T823 PolarHBondContact N-O 3.16Å; E792-T823 PolarHBondContact O-N 3.05Å |
| 793 | A | 90.3 | Very high | 81.2 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I820 N821 F822 V986 V988 | A793-I820 HydrophobicContact CB-CG2 4.47Å; A793-N821 CarbonylContact C-O 3.5Å; A793-N821 WeakPolarHBondContact CA-O 3.31Å; A793-F822 HydrophobicContact CB-CD1 3.95Å; A793-F822 HydrophobicContact CB-CE1 4.02Å; A793-V986 HydrophobicContact CB-CG1 3.77Å; A793-V988 HydrophobicContact CB-CG2 3.5Å; A793-V988 VanDerWaalsContact CB-CG2 3.5Å |
| 794 | K | 85.4 | Confident | 81.3 | Confident | 101 Ų | 101 | 51 Ų | 51 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.3 | 179.8 | -70.8 | 168.9 | -172.9 | 144.6 | 0 | 109.9 | E792 N821 | E792-K794 VanDerWaalsContact CD-CE 3.46Å; E792-K794 WeakPolarHBondContact OE1-CE 3.48Å; E792-K794 IonicContact OE1-NZ 3.56Å; E792-K794 PolarHBondContact OE1-NZ 2.96Å; E792-K794 WeakPolarHBondContact OE2-CE 3.07Å; E792-K794 IonicContact OE2-NZ 3.42Å; K794-N821 PolarHBondContact N-O 2.83Å; K794-N821 PolarHBondContact O-N 2.03Å |
| 795 | P | 85.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 54 Ų | 54 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -67.9 | 162.5 | -8.4 | 32.4 | -35.8 | 0 | 0 | 0 | 112 | Q797 V798 L819 | P795-Q797 VanDerWaalsContact C-N 3.3Å; P795-Q797 WeakPolarHBondContact CG-O 3.45Å; P795-Q797 PolarHBondContact O-N 3.27Å; P795-V798 HydrophobicContact CG-CG2 3.97Å; P795-L819 WeakPolarHBondContact CD-O 3.46Å |
| 796 | R | 83.3 | Confident | 81.2 | Confident | 198 Ų | 198 | 57 Ų | 57 | 75% | 0.747 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.7 | -19 | -179.1 | -72.2 | -175.1 | 176.8 | -178.7 | -1.2 | 114.3 | P989 | R796-P989 WeakPolarHBondContact O-CD 3.44Š|
| 797 | Q | 83.9 | Confident | 81.2 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -138.4 | 147 | 171.5 | 178.5 | 174.3 | -7.7 | 0 | 0 | 107.8 | P795 P989 S991 | P795-Q797 VanDerWaalsContact C-N 3.3Å; P795-Q797 WeakPolarHBondContact CG-O 3.45Å; P795-Q797 PolarHBondContact O-N 3.27Å; Q797-P989 WeakPolarHBondContact CA-O 3.37Å; Q797-P989 HydrophobicContact CB-CG 4Å; Q797-P989 HydrophobicContact CG-CB 4.36Å; Q797-P989 HydrophobicContact CG-CG 4.07Å; Q797-P989 WeakPolarHBondContact CG-O 3.32Å; Q797-S991 PolarHBondContact NE2-OG 3.3Å; Q797-S991 VanDerWaalsContact NE2-OG 3.15Å |
| 798 | V | 86.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.2 | -173.7 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | P795 S818 I820 L945 V988 P989 V990 S991 | P795-V798 HydrophobicContact CG-CG2 3.97Å; V798-S818 VanDerWaalsContact CG1-CB 3.41Å; V798-I820 HydrophobicContact CB-CD1 4.47Å; V798-I820 HydrophobicContact CG1-CD1 4.38Å; V798-I820 HydrophobicContact CG1-CG1 4.4Å; V798-I820 HydrophobicContact CG2-CD1 3.76Å; V798-I820 HydrophobicContact CG2-CG1 3.76Å; V798-L945 HydrophobicContact CG1-CD2 3.77Å; V798-V988 HydrophobicContact CG2-CG1 3.84Å; V798-P989 PolarHBondContact N-O 3.49Å; V798-P989 VanDerWaalsContact N-O 3.1Å; V798-V990 HydrophobicContact CB-CG2 4.46Å; V798-V990 WeakPolarHBondContact O-CA 3.42Å; V798-S991 PolarHBondContact O-N 2.89Å |
| 799 | S | 82.6 | Confident | 80.2 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 151 | 168 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | S818 S991 | S799-S818 PolarHBondContact O-OG 2.83Å; S799-S991 CarbonylContact C-O 3.47Å; S799-S991 WeakPolarHBondContact CA-O 3.41Å |
| 800 | F | 83.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.4 | 171.5 | 66 | -91.4 | 0 | 0 | 0 | 111.9 | L945 F950 I951 A955 V990 S991 P992 D993 | F800-L945 HydrophobicContact CB-CD2 3.92Å; F800-F950 HydrophobicContact CB-CB 4.08Å; F800-F950 HydrophobicContact CD1-CB 3.92Å; F800-F950 HydrophobicContact CD1-CD1 4.22Å; F800-F950 HydrophobicContact CD1-CG 4.38Å; F800-F950 HydrophobicContact CD2-CB 3.52Å; F800-F950 HydrophobicContact CE1-CB 4.14Å; F800-F950 HydrophobicContact CE1-CD1 4.16Å; F800-F950 HydrophobicContact CE2-CB 3.79Å; F800-F950 WeakPolarHBondContact CE2-O 3.16Å; F800-F950 HydrophobicContact CG-CB 3.57Å; F800-F950 HydrophobicContact CG-CG 4.41Å; F800-F950 HydrophobicContact CZ-CB 4.07Å; F800-I951 HydrophobicContact CD2-CG1 4.04Å; F800-I951 HydrophobicContact CE2-CG1 4.5Å; F800-A955 HydrophobicContact CE2-CB 4.19Å; F800-V990 HydrophobicContact CD1-CG1 3.48Å; F800-V990 VanDerWaalsContact CD1-CG1 3.48Å; F800-V990 HydrophobicContact CE1-CG1 3.93Å; F800-S991 VanDerWaalsContact CD1-C 3.42Å; F800-S991 WeakPolarHBondContact CD1-O 3.41Å; F800-S991 PolarHBondContact N-O 3.33Å; F800-P992 HydrophobicContact CE1-CB 4.23Å; F800-P992 VanDerWaalsContact CE1-N 3.29Å; F800-P992 HydrophobicContact CE2-CB 3.98Å; F800-P992 HydrophobicContact CZ-CB 3.75Å; F800-P992 HydrophobicContact CZ-CG 4.38Å; F800-D993 WeakPolarHBondContact O-CB 3.09Å; F800-D993 PolarHBondContact O-N 3.16Å |
| 801 | G | 74.3 | Confident | 79.2 | Confident | 13 Ų | 13 | 71 Ų | 71 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | trans | -175.7 | -176.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N947 | G801-N947 PolarHBondContact N-ND2 3.16Å; G801-N947 PolarHBondContact O-ND2 3.02Å | ||
| 802 | G | 75.9 | Confident | 78.7 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 109.2 | -148.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 803 | V | 72.8 | Confident | 78.1 | Confident | 102 Ų | 102 | 69 Ų | 69 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | trans | -116.3 | 129.6 | -176.4 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | R805 | V803-R805 PolarHBondContact O-N 3.4Š| ||
| 804 | V | 75.2 | Confident | 77.5 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | trans | -57.1 | 125.1 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | I951 E952 | V804-I951 HydrophobicContact CG2-CB 4.07Å; V804-I951 HydrophobicContact CG2-CD1 4.42Å; V804-I951 HydrophobicContact CG2-CG2 3.68Å; V804-E952 HydrophobicContact CG1-CG 4.33Å; V804-E952 WeakPolarHBondContact CG1-OE1 3.3Å; V804-E952 HydrophobicContact CG2-CG 4.35Å | ||
| 805 | R | 76.3 | Confident | 77.2 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | trans | -127.3 | 145 | 171.5 | -57.8 | -163.5 | -156.3 | 162.7 | 21.5 | 111.2 | V803 M810 D815 S948 | V803-R805 PolarHBondContact O-N 3.4Å; R805-M810 HydrophobicContact CB-CE 4.45Å; R805-D815 IonicContact CZ-OD1 3.56Å; R805-D815 IonicContact NH1-OD1 2.84Å; R805-D815 PolarHBondContact NH1-OD1 2.89Å; R805-D815 IonicContact NH1-OD2 3.29Å; R805-D815 PolarHBondContact NH1-OD2 2.87Å; R805-D815 VanDerWaalsContact NH1-OD2 3.14Å; R805-D815 IonicContact NH2-OD1 2.74Å; R805-D815 PolarHBondContact NH2-OD1 3.36Å; R805-S948 PolarHBondContact N-OG 3.24Å; R805-S948 PolarHBondContact O-OG 3.04Å | ||
| 806 | A | 70.6 | Confident | 76.9 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | trans | -71.2 | 154.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T808 A809 | A806-T808 VanDerWaalsContact C-N 3.31Å; A806-T808 PolarHBondContact O-N 3.14Å; A806-A809 WeakPolarHBondContact O-CB 3.45Å; A806-A809 PolarHBondContact O-N 3.47Å | ||
| 807 | E | 72.8 | Confident | 77 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -53.6 | -43.1 | -177 | -169.8 | 178.4 | 121.1 | 0 | 0 | 113.1 | A809 M810 W854 L880 W946 | E807-A809 PolarHBondContact O-N 2.86Å; E807-A809 VanDerWaalsContact O-N 3.16Å; E807-M810 PolarHBondContact O-N 3.26Å; E807-W854 PolarHBondContact OE2-NE1 3.1Å; E807-L880 HydrophobicContact CG-CD1 3.92Å; E807-L880 HydrophobicContact CG-CD2 4.21Å; E807-L880 WeakPolarHBondContact OE1-CD2 3.2Å; E807-W946 HydrophobicContact CB-CZ2 4.4Å; E807-W946 HydrophobicContact CG-CH2 4.36Å; E807-W946 HydrophobicContact CG-CZ2 4.25Å |
| 808 | T | 68.2 | Low | 77.1 | Confident | 141 Ų | 141 | 53.6 Ų | 53.6 | 87% | 0.865 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -68.6 | -9.5 | 178.6 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | A806 | A806-T808 VanDerWaalsContact C-N 3.31Å; A806-T808 PolarHBondContact O-N 3.14Å |
| 809 | A | 68.1 | Low | 77.1 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -104.2 | 4.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A806 E807 | A806-A809 WeakPolarHBondContact O-CB 3.45Å; A806-A809 PolarHBondContact O-N 3.47Å; E807-A809 PolarHBondContact O-N 2.86Å; E807-A809 VanDerWaalsContact O-N 3.16Å |
| 810 | M | 76.6 | Confident | 77.5 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | trans | -89.3 | 137.4 | 175.2 | -61.1 | -169.8 | 176.8 | 0 | 0 | 111.1 | R805 E807 D815 A816 I883 W946 | R805-M810 HydrophobicContact CB-CE 4.45Å; E807-M810 PolarHBondContact O-N 3.26Å; M810-D815 HydrophobicContact CB-CB 3.96Å; M810-D815 HydrophobicContact CG-CB 4.05Å; M810-A816 HydrophobicContact SD-CB 4.17Å; M810-I883 HydrophobicContact CB-CD1 4.12Å; M810-I883 HydrophobicContact CB-CG1 4.41Å; M810-W946 HydrophobicContact CE-CD2 4.34Å; M810-W946 HydrophobicContact CE-CH2 4.02Å; M810-W946 HydrophobicContact CE-CZ2 3.51Å; M810-W946 HydrophobicContact SD-CH2 3.34Å; M810-W946 WeakPolarHBondContact SD-CH2 3.38Å; M810-W946 HydrophobicContact SD-CZ2 3.47Å; M810-W946 WeakPolarHBondContact SD-CZ2 3.33Å; M810-W946 HydrophobicContact SD-CZ3 3.91Å | ||
| 811 | K | 73.6 | Confident | 77.8 | Confident | 154 Ų | 154 | 54.9 Ų | 54.9 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | trans | -131.2 | -28 | -176.4 | -63.5 | -171.5 | 178.5 | -174 | 0 | 114.2 | D815 W884 | K811-D815 PolarHBondContact N-OD2 3.44Å; K811-W884 PolarHBondContact O-N 2.95Å | ||
| 812 | T | 77.8 | Confident | 78.7 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 162.5 | 174.2 | 84 | 0 | 0 | 0 | 0 | 112 | E814 D815 I883 | T812-E814 WeakPolarHBondContact CB-OE2 3.36Å; T812-E814 PolarHBondContact O-N 2.65Å; T812-E814 VanDerWaalsContact O-N 3.08Å; T812-E814 PolarHBondContact OG1-N 3.15Å; T812-E814 PolarHBondContact OG1-OE2 2.75Å; T812-D815 PolarHBondContact N-OD2 2.81Å; T812-D815 VanDerWaalsContact N-OD2 3.16Å; T812-D815 WeakPolarHBondContact O-CB 3.37Å; T812-D815 PolarHBondContact O-N 3.31Å; T812-I883 WeakPolarHBondContact O-CG2 3.27Å |
| 813 | E | 78.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -26.9 | -179.2 | -148.2 | -153.2 | 152.5 | 0 | 0 | 113 | V859 W884 R942 R944 | E813-V859 HydrophobicContact CG-CG1 4.09Å; E813-V859 HydrophobicContact CG-CG2 3.91Å; E813-W884 PolarHBondContact N-O 2.88Å; E813-R942 IonicContact OE1-CZ 2.75Å; E813-R942 IonicContact OE1-NE 3.58Å; E813-R942 PolarHBondContact OE1-NE 2.93Å; E813-R942 IonicContact OE1-NH2 4Å; E813-R942 PolarHBondContact OE1-NH2 2.88Å; E813-R942 IonicContact OE2-CZ 2.63Å; E813-R942 IonicContact OE2-NE 3.5Å; E813-R942 PolarHBondContact OE2-NE 2.78Å; E813-R942 IonicContact OE2-NH2 2.86Å; E813-R942 PolarHBondContact OE2-NH2 3.29Å; E813-R944 VanDerWaalsContact CD-CZ 3.49Å; E813-R944 HydrophobicContact CG-CG 3.91Å; E813-R944 VanDerWaalsContact O-CD 3.31Å; E813-R944 WeakPolarHBondContact O-CD 3.35Å; E813-R944 PolarHBondContact O-NE 2.86Å; E813-R944 PolarHBondContact O-NH1 2.81Å; E813-R944 IonicContact OE1-CZ 3.13Å; E813-R944 IonicContact OE1-NE 3.73Å; E813-R944 PolarHBondContact OE1-NE 2.89Å; E813-R944 IonicContact OE1-NH2 2.7Å; E813-R944 PolarHBondContact OE1-NH2 3.31Å; E813-R944 IonicContact OE2-CZ 3.51Å; E813-R944 IonicContact OE2-NE 2.69Å; E813-R944 IonicContact OE2-NH2 3.47Å; E813-R944 PolarHBondContact OE2-NH2 3.29Å |
| 814 | E | 76.8 | Confident | 80.2 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.9 | -23 | 176.6 | -62.4 | 64.3 | -131 | 0 | 0 | 113.9 | T812 A816 G817 R944 | T812-E814 WeakPolarHBondContact CB-OE2 3.36Å; T812-E814 PolarHBondContact O-N 2.65Å; T812-E814 VanDerWaalsContact O-N 3.08Å; T812-E814 PolarHBondContact OG1-N 3.15Å; T812-E814 PolarHBondContact OG1-OE2 2.75Å; E814-A816 VanDerWaalsContact C-N 3.26Å; E814-A816 PolarHBondContact O-N 2.98Å; E814-G817 PolarHBondContact O-N 2.98Å; E814-R944 IonicContact OE1-CZ 3.46Å; E814-R944 IonicContact OE1-NH1 3.69Å; E814-R944 IonicContact OE1-NH2 2.78Å; E814-R944 PolarHBondContact OE1-NH2 3.34Å |
| 815 | D | 78.8 | Confident | 80.7 | Confident | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.6 | -25.6 | 178.6 | -69.8 | -31.3 | 0 | 0 | 0 | 112.1 | R805 M810 K811 T812 | R805-D815 IonicContact CZ-OD1 3.56Å; R805-D815 IonicContact NH1-OD1 2.84Å; R805-D815 PolarHBondContact NH1-OD1 2.89Å; R805-D815 IonicContact NH1-OD2 3.29Å; R805-D815 PolarHBondContact NH1-OD2 2.87Å; R805-D815 VanDerWaalsContact NH1-OD2 3.14Å; R805-D815 IonicContact NH2-OD1 2.74Å; R805-D815 PolarHBondContact NH2-OD1 3.36Å; M810-D815 HydrophobicContact CB-CB 3.96Å; M810-D815 HydrophobicContact CG-CB 4.05Å; K811-D815 PolarHBondContact N-OD2 3.44Å; T812-D815 PolarHBondContact N-OD2 2.81Å; T812-D815 VanDerWaalsContact N-OD2 3.16Å; T812-D815 WeakPolarHBondContact O-CB 3.37Å; T812-D815 PolarHBondContact O-N 3.31Å |
| 816 | A | 79.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.1 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M810 E814 R944 L945 W946 N947 | M810-A816 HydrophobicContact SD-CB 4.17Å; E814-A816 VanDerWaalsContact C-N 3.26Å; E814-A816 PolarHBondContact O-N 2.98Å; A816-R944 HydrophobicContact CB-CB 4.06Å; A816-L945 CarbonylContact C-O 3.45Å; A816-W946 HydrophobicContact CB-CE3 3.83Å; A816-W946 HydrophobicContact CB-CZ3 3.82Å; A816-W946 CarbonylContact O-C 3.53Å; A816-W946 WeakPolarHBondContact O-CA 3.4Å; A816-N947 PolarHBondContact O-N 3.35Å |
| 817 | G | 84.9 | Confident | 81.4 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | 145.1 | -144.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E814 R944 L945 | E814-G817 PolarHBondContact O-N 2.98Å; G817-R944 VanDerWaalsContact O-CD 3.23Å; G817-R944 WeakPolarHBondContact O-CD 2.95Å; G817-R944 PolarHBondContact O-NH1 2.65Å; G817-L945 VanDerWaalsContact CA-O 3.29Å; G817-L945 WeakPolarHBondContact CA-O 3.45Å | ||
| 818 | S | 86 | Confident | 81.4 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | trans | -75.4 | 137.2 | -169.5 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | V798 S799 R944 L945 N947 | V798-S818 VanDerWaalsContact CG1-CB 3.41Å; S799-S818 PolarHBondContact O-OG 2.83Å; S818-R944 WeakPolarHBondContact O-CA 3.34Å; S818-L945 PolarHBondContact O-N 3.05Å; S818-N947 PolarHBondContact N-OD1 3.05Å | ||
| 819 | L | 87.5 | Confident | 81.3 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134 | -178.9 | -176 | 72.2 | 0 | 0 | 0 | 111.9 | P795 R942 | P795-L819 WeakPolarHBondContact CD-O 3.46Å; L819-R942 HydrophobicContact CD1-CG 3.78Å |
| 820 | I | 90.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 119.2 | 172.2 | -42.6 | -179.8 | 0 | 0 | 0 | 109.1 | A793 V798 F822 L856 S943 L945 | A793-I820 HydrophobicContact CB-CG2 4.47Å; V798-I820 HydrophobicContact CB-CD1 4.47Å; V798-I820 HydrophobicContact CG1-CD1 4.38Å; V798-I820 HydrophobicContact CG1-CG1 4.4Å; V798-I820 HydrophobicContact CG2-CD1 3.76Å; V798-I820 HydrophobicContact CG2-CG1 3.76Å; I820-F822 HydrophobicContact CB-CE2 4.05Å; I820-F822 HydrophobicContact CG2-CD2 4.05Å; I820-F822 HydrophobicContact CG2-CE2 3.52Å; I820-F822 HydrophobicContact CG2-CZ 3.8Å; I820-L856 HydrophobicContact CD1-CD2 4.04Å; I820-S943 PolarHBondContact N-O 2.98Å; I820-S943 WeakPolarHBondContact O-CA 3.45Å; I820-S943 PolarHBondContact O-N 3.01Å; I820-S943 VanDerWaalsContact O-O 3.12Å; I820-S943 PolarHBondContact O-OG 3.07Å; I820-L945 HydrophobicContact CD1-CB 4.08Å; I820-L945 HydrophobicContact CD1-CD1 4.23Å |
| 821 | N | 90.6 | Very high | 80.2 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.9 | 169.2 | -73 | 22.3 | 0 | 0 | 0 | 109.2 | A793 K794 E940 L941 | A793-N821 CarbonylContact C-O 3.5Å; A793-N821 WeakPolarHBondContact CA-O 3.31Å; K794-N821 PolarHBondContact N-O 2.83Å; K794-N821 PolarHBondContact O-N 2.03Å; N821-E940 HydrophobicContact CB-CG 4.46Å; N821-E940 WeakPolarHBondContact CB-OE1 3.49Å; N821-E940 PolarHBondContact ND2-OE1 2.99Å; N821-L941 WeakPolarHBondContact CA-O 3.44Å |
| 822 | F | 91.9 | Very high | 79.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.4 | 170.1 | -65.3 | -95.5 | 0 | 0 | 0 | 109.2 | E792 A793 I820 F824 W845 L856 E940 L941 V964 V986 V988 | E792-F822 WeakPolarHBondContact O-CA 3.08Å; A793-F822 HydrophobicContact CB-CD1 3.95Å; A793-F822 HydrophobicContact CB-CE1 4.02Å; I820-F822 HydrophobicContact CB-CE2 4.05Å; I820-F822 HydrophobicContact CG2-CD2 4.05Å; I820-F822 HydrophobicContact CG2-CE2 3.52Å; I820-F822 HydrophobicContact CG2-CZ 3.8Å; F822-F824 HydrophobicContact CB-CE2 4.1Å; F822-W845 AromaticContact CD2-CH2 3.76Å; F822-W845 HydrophobicContact CD2-CH2 3.76Å; F822-W845 AromaticContact CD2-CZ3 3.85Å; F822-W845 HydrophobicContact CD2-CZ3 3.85Å; F822-W845 AromaticContact CE2-CH2 3.92Å; F822-W845 HydrophobicContact CE2-CH2 3.92Å; F822-W845 HydrophobicContact CE2-CZ3 4.19Å; F822-W845 HydrophobicContact CG-CZ3 4.39Å; F822-L856 HydrophobicContact CE2-CD1 3.8Å; F822-L856 HydrophobicContact CZ-CD1 4.02Å; F822-E940 CarbonylContact O-C 3.52Å; F822-E940 VanDerWaalsContact O-CA 3.28Å; F822-E940 WeakPolarHBondContact O-CA 3.32Å; F822-L941 HydrophobicContact CB-CB 4.4Å; F822-L941 PolarHBondContact N-O 2.87Å; F822-L941 PolarHBondContact O-N 2.7Å; F822-V964 HydrophobicContact CD1-CB 4.47Å; F822-V964 HydrophobicContact CD1-CG2 4.15Å; F822-V964 HydrophobicContact CE1-CB 4.24Å; F822-V964 HydrophobicContact CE1-CG2 3.56Å; F822-V964 HydrophobicContact CZ-CG2 3.81Å; F822-V986 HydrophobicContact CD1-CB 4.38Å; F822-V986 HydrophobicContact CD1-CG1 3.93Å; F822-V986 HydrophobicContact CE1-CG1 4.08Å; F822-V988 HydrophobicContact CE1-CG2 3.7Å; F822-V988 HydrophobicContact CZ-CG2 3.97Å |
| 823 | T | 90.6 | Very high | 78 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.7 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | G791 E792 T938 V939 | G791-T823 CarbonylContact C-O 3.56Å; G791-T823 WeakPolarHBondContact CA-O 3.26Å; E792-T823 PolarHBondContact N-O 3.16Å; E792-T823 PolarHBondContact O-N 3.05Å; T823-T938 HydrophobicContact CG2-CG2 3.4Å; T823-V939 WeakPolarHBondContact CA-O 3.37Å |
| 824 | F | 90.3 | Very high | 76.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133 | 175.6 | -64.2 | -84 | 0 | 0 | 0 | 110.1 | S790 F822 L841 I843 T938 V939 L941 V964 A966 V986 | S790-F824 CarbonylContact O-C 3.54Å; S790-F824 WeakPolarHBondContact O-CA 3.12Å; F822-F824 HydrophobicContact CB-CE2 4.1Å; F824-L841 HydrophobicContact CB-CD2 4.22Å; F824-I843 HydrophobicContact CD2-CD1 3.75Å; F824-I843 HydrophobicContact CD2-CG1 4.48Å; F824-I843 HydrophobicContact CE2-CD1 3.88Å; F824-I843 HydrophobicContact CE2-CG1 4.4Å; F824-I843 HydrophobicContact CE2-CG2 4.02Å; F824-I843 HydrophobicContact CG-CD1 4.49Å; F824-I843 HydrophobicContact CZ-CG2 4.14Å; F824-T938 CarbonylContact O-C 3.52Å; F824-T938 VanDerWaalsContact O-CA 3.29Å; F824-T938 WeakPolarHBondContact O-CA 3.29Å; F824-V939 PolarHBondContact N-O 3.47Å; F824-V939 PolarHBondContact O-N 3.44Å; F824-L941 HydrophobicContact CD2-CD1 3.91Å; F824-L941 HydrophobicContact CE2-CD1 4.09Å; F824-V964 HydrophobicContact CZ-CG1 4.03Å; F824-A966 HydrophobicContact CD1-CB 3.75Å; F824-A966 HydrophobicContact CE1-CB 3.48Å; F824-A966 VanDerWaalsContact CE1-CB 3.48Å; F824-A966 HydrophobicContact CZ-CB 4.14Å; F824-V986 HydrophobicContact CE1-CG2 3.72Å; F824-V986 HydrophobicContact CZ-CG2 4.04Å |
| 825 | R | 86.4 | Confident | 76 | Confident | 145 Ų | 145 | 44.7 Ų | 44.7 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.3 | -177.1 | -174.5 | -179.2 | -175.1 | -164.7 | 1.1 | 110.9 | S790 T938 | S790-R825 PolarHBondContact N-O 2.96Å; S790-R825 PolarHBondContact O-N 3.25Å; S790-R825 PolarHBondContact OG-O 2.87Å; R825-T938 HydrophobicContact CB-CG2 4.39Å |
| 826 | I | 85 | Confident | 75.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.2 | 178.1 | -55.4 | 85 | 0 | 0 | 0 | 109.2 | L789 L931 I934 G936 T937 L968 | L789-I826 HydrophobicContact CD1-CG1 4.1Å; I826-L931 HydrophobicContact CD1-CD1 3.97Å; I826-L931 HydrophobicContact CG1-CD1 3.97Å; I826-I934 HydrophobicContact CG2-CG2 3.88Å; I826-G936 PolarHBondContact O-N 2.82Å; I826-T937 PolarHBondContact N-O 2.84Å; I826-L968 HydrophobicContact CG1-CD2 4.28Å; I826-L968 HydrophobicContact CG2-CD1 4.3Å |
| 827 | S | 75.7 | Confident | 74.4 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.8 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | I788 | I788-S827 PolarHBondContact N-O 2.8Å; I788-S827 PolarHBondContact O-N 2.87Å |
| 828 | N | 72 | Confident | 73.8 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138.5 | 175.9 | -177.8 | 13.2 | 0 | 0 | 0 | 109.7 | L787 W830 I834 I934 | L787-N828 HydrophobicContact CD2-CB 4Å; N828-W830 PolarHBondContact ND2-O 3.07Å; N828-W830 PolarHBondContact OD1-N 2.81Å; N828-I834 WeakPolarHBondContact ND2-CD1 3.45Å; N828-I934 HydrophobicContact CB-CG2 4.44Å |
| 829 | L | 67.8 | Low | 73.4 | Confident | 111 Ų | 111 | 50 Ų | 50 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -90.7 | -13.1 | 175.4 | -69.4 | 177.4 | 0 | 0 | 0 | 113.7 | P786 I788 | P786-L829 HydrophobicContact CB-CD1 4.36Å; P786-L829 HydrophobicContact CG-CB 4.28Å; I788-L829 HydrophobicContact CD1-CD1 4.02Å; I788-L829 HydrophobicContact CD1-CD2 3.91Å; I788-L829 HydrophobicContact CD1-CG 4.07Å; I788-L829 HydrophobicContact CG1-CD1 4.26Å; I788-L829 HydrophobicContact CG1-CG 4.37Å |
| 830 | W | 64.3 | Low | 73.3 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -81.8 | 142.6 | 171.1 | -86.2 | 35.9 | 0 | 0 | 0 | 112 | L667 T783 N828 I834 | L667-W830 HydrophobicContact CD2-CH2 4.01Å; L667-W830 HydrophobicContact CG-CH2 4.5Å; T783-W830 HydrophobicContact CG2-CH2 4.49Å; N828-W830 PolarHBondContact ND2-O 3.07Å; N828-W830 PolarHBondContact OD1-N 2.81Å; W830-I834 HydrophobicContact CB-CD1 3.96Å; W830-I834 HydrophobicContact CB-CG1 4.21Å; W830-I834 HydrophobicContact CD2-CD1 4.23Å; W830-I834 HydrophobicContact CE3-CD1 4.1Å; W830-I834 HydrophobicContact CE3-CG1 4.05Å; W830-I834 HydrophobicContact CG-CD1 4.21Å |
| 831 | T | 55.6 | Low | 73.2 | Confident | 127 Ų | 127 | 47.1 Ų | 47.1 | 78% | 0.779 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -131.4 | 138.4 | 169.3 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 832 | P | 51.5 | Low | 73.2 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | S | Bend | cis | -93.8 | 163.1 | -7.7 | 37.9 | -32.3 | 0 | 0 | 0 | 113.7 | N749 I834 | N749-P832 WeakPolarHBondContact OD1-CD 3.37Å; P832-I834 PolarHBondContact O-N 3.22Å |
| 833 | S | 53.4 | Low | 73.1 | Confident | 108 Ų | 108 | 47.2 Ų | 47.2 | 76% | 0.755 | 27% | 0.273 | S | S | * | . | trans | 21.4 | 84.8 | 160.8 | -161.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 834 | I | 55.4 | Low | 73.1 | Confident | 28 Ų | 28 | 49 Ų | 49 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61 | 143.6 | 162.4 | -50.9 | 179.4 | 0 | 0 | 0 | 109.5 | L753 V785 N828 W830 P832 L837 | L753-I834 HydrophobicContact CD1-CG2 3.65Å; L753-I834 HydrophobicContact CD2-CG2 3.95Å; L753-I834 HydrophobicContact CG-CG2 4.38Å; V785-I834 HydrophobicContact CG1-CD1 4.26Å; N828-I834 WeakPolarHBondContact ND2-CD1 3.45Å; W830-I834 HydrophobicContact CB-CD1 3.96Å; W830-I834 HydrophobicContact CB-CG1 4.21Å; W830-I834 HydrophobicContact CD2-CD1 4.23Å; W830-I834 HydrophobicContact CE3-CD1 4.1Å; W830-I834 HydrophobicContact CE3-CG1 4.05Å; W830-I834 HydrophobicContact CG-CD1 4.21Å; P832-I834 PolarHBondContact O-N 3.22Å; I834-L837 HydrophobicContact CG2-CD1 3.76Å |
| 835 | S | 57.7 | Low | 73.1 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 154.1 | 170.2 | -43.7 | 0 | 0 | 0 | 0 | 111.8 | L837 | S835-L837 PolarHBondContact O-N 2.92Å; S835-L837 VanDerWaalsContact O-N 3.15Å |
| 836 | P | 60.2 | Low | 73.3 | Confident | 108 Ų | 108 | 42.3 Ų | 42.3 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 117.7 | -175.6 | 25 | -34.6 | 0 | 0 | 0 | 112 | ||
| 837 | L | 66.3 | Low | 73.4 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 143.4 | 168.2 | -69.8 | 95.7 | 0 | 0 | 0 | 110 | L753 I834 S835 L839 I934 L970 I977 | L753-L837 HydrophobicContact CD2-CD1 3.92Å; L753-L837 HydrophobicContact CD2-CD2 3.97Å; L753-L837 HydrophobicContact CD2-CG 3.95Å; I834-L837 HydrophobicContact CG2-CD1 3.76Å; S835-L837 PolarHBondContact O-N 2.92Å; S835-L837 VanDerWaalsContact O-N 3.15Å; L837-L839 HydrophobicContact CB-CD1 3.91Å; L837-L839 HydrophobicContact CB-CG 3.88Å; L837-L839 PolarHBondContact O-N 2.88Å; L837-I934 HydrophobicContact CB-CD1 4.3Å; L837-I934 HydrophobicContact CD1-CD1 3.65Å; L837-L970 HydrophobicContact CB-CD1 4.12Å; L837-L970 HydrophobicContact CD2-CD1 3.97Å; L837-I977 HydrophobicContact CD2-CD1 4.32Å; L837-I977 HydrophobicContact CD2-CG2 4.28Å |
| 838 | P | 70.5 | Confident | 73.9 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | trans | -74.3 | 74.4 | 171.3 | 32.1 | -34.9 | 0 | 0 | 0 | 110.5 | L970 E971 | P838-L970 HydrophobicContact CG-CD1 4.24Å; P838-E971 PolarHBondContact O-N 2.76Å | ||
| 839 | L | 77.8 | Confident | 74.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.4 | 177.6 | -73.3 | 164.8 | 0 | 0 | 0 | 110.1 | L787 L837 L931 I934 V969 L970 L979 | L787-L839 HydrophobicContact CD1-CD1 3.58Å; L837-L839 HydrophobicContact CB-CD1 3.91Å; L837-L839 HydrophobicContact CB-CG 3.88Å; L837-L839 PolarHBondContact O-N 2.88Å; L839-L931 WeakPolarHBondContact O-CA 3.25Å; L839-L931 WeakPolarHBondContact O-CB 3.31Å; L839-L931 PolarHBondContact O-N 3.28Å; L839-I934 HydrophobicContact CD1-CD1 3.68Å; L839-I934 HydrophobicContact CD1-CG1 4.05Å; L839-V969 WeakPolarHBondContact CA-O 3.41Å; L839-L970 HydrophobicContact CD2-CB 4.28Å; L839-L970 HydrophobicContact CD2-CD1 3.81Å; L839-L970 HydrophobicContact CG-CD1 4.08Å; L839-L979 HydrophobicContact CD2-CD1 4.34Å; L839-L979 HydrophobicContact CD2-CD2 4.03Å |
| 840 | T | 85.6 | Confident | 75.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.5 | 174 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | K928 V969 E971 | T840-K928 HydrophobicContact CG2-CB 3.87Å; T840-V969 PolarHBondContact N-O 2.78Å; T840-V969 PolarHBondContact O-N 2.75Å; T840-E971 VanDerWaalsContact CB-OE1 3.31Å; T840-E971 WeakPolarHBondContact CB-OE1 3.47Å; T840-E971 PolarHBondContact OG1-OE1 3.42Å |
| 841 | L | 88.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.1 | 170.2 | 178.3 | 71.4 | 0 | 0 | 0 | 108.3 | L789 F824 I843 C929 L931 V939 A966 L968 | L789-L841 HydrophobicContact CD1-CD1 3.73Å; L789-L841 HydrophobicContact CD2-CD1 4.11Å; F824-L841 HydrophobicContact CB-CD2 4.22Å; L841-I843 HydrophobicContact CD2-CD1 3.93Å; L841-I843 HydrophobicContact CD2-CG1 4.09Å; L841-I843 HydrophobicContact CG-CD1 4.37Å; L841-I843 HydrophobicContact CG-CG1 3.98Å; L841-C929 HydrophobicContact CB-CB 4.21Å; L841-C929 PolarHBondContact N-O 3.13Å; L841-C929 PolarHBondContact O-N 2.7Å; L841-L931 HydrophobicContact CB-CD1 4.22Å; L841-L931 HydrophobicContact CB-CD2 4.18Å; L841-L931 HydrophobicContact CB-CG 4.27Å; L841-V939 HydrophobicContact CD2-CB 4.41Å; L841-V939 HydrophobicContact CD2-CG2 4.21Å; L841-A966 HydrophobicContact CD1-CB 4.28Å; L841-L968 HydrophobicContact CB-CD2 4.21Å; L841-L968 HydrophobicContact CD1-CD2 3.87Å |
| 842 | H | 90.7 | Very high | 77 | Confident | 32 Ų | 32 | 44 Ų | 44 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.2 | 171.9 | -73.4 | 166.1 | 0 | 0 | 0 | 109.4 | V926 L927 A966 S967 V969 | H842-V926 HydrophobicContact CB-CG1 3.89Å; H842-L927 WeakPolarHBondContact CA-O 3.49Å; H842-A966 CarbonylContact O-C 3.58Å; H842-A966 VanDerWaalsContact O-CA 3.23Å; H842-A966 WeakPolarHBondContact O-CA 3.27Å; H842-S967 PolarHBondContact N-O 3.09Å; H842-S967 PolarHBondContact O-N 2.82Å; H842-V969 WeakPolarHBondContact ND1-CG2 3.16Å |
| 843 | I | 90.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118 | 174.7 | -51.8 | 173.2 | 0 | 0 | 0 | 108.3 | F824 L841 W845 V926 L927 L941 V964 A966 | F824-I843 HydrophobicContact CD2-CD1 3.75Å; F824-I843 HydrophobicContact CD2-CG1 4.48Å; F824-I843 HydrophobicContact CE2-CD1 3.88Å; F824-I843 HydrophobicContact CE2-CG1 4.4Å; F824-I843 HydrophobicContact CE2-CG2 4.02Å; F824-I843 HydrophobicContact CG-CD1 4.49Å; F824-I843 HydrophobicContact CZ-CG2 4.14Å; L841-I843 HydrophobicContact CD2-CD1 3.93Å; L841-I843 HydrophobicContact CD2-CG1 4.09Å; L841-I843 HydrophobicContact CG-CD1 4.37Å; L841-I843 HydrophobicContact CG-CG1 3.98Å; I843-W845 PolarHBondContact O-N 3.31Å; I843-V926 WeakPolarHBondContact O-CA 3.42Å; I843-L927 HydrophobicContact CB-CB 4.32Å; I843-L927 PolarHBondContact N-O 2.9Å; I843-L927 PolarHBondContact O-N 2.69Å; I843-L941 HydrophobicContact CD1-CD1 3.71Å; I843-L941 HydrophobicContact CD1-CD2 4.12Å; I843-V964 HydrophobicContact CG2-CG1 3.71Å; I843-A966 HydrophobicContact CG1-CB 4.3Å |
| 844 | H | 90.2 | Very high | 80 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 98.8 | 176.1 | -63.9 | -99.6 | 0 | 0 | 0 | 109.2 | P846 K965 | H844-P846 WeakPolarHBondContact O-CD 3.25Å; H844-K965 HydrophobicContact CB-CB 4.3Å; H844-K965 PolarHBondContact N-O 2.8Å |
| 845 | W | 90.8 | Very high | 81.6 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.4 | -172.1 | -171.4 | -100.2 | 0 | 0 | 0 | 112.3 | F822 I843 R847 L856 L858 C924 V925 L927 L941 S943 V964 | F822-W845 AromaticContact CD2-CH2 3.76Å; F822-W845 HydrophobicContact CD2-CH2 3.76Å; F822-W845 AromaticContact CD2-CZ3 3.85Å; F822-W845 HydrophobicContact CD2-CZ3 3.85Å; F822-W845 AromaticContact CE2-CH2 3.92Å; F822-W845 HydrophobicContact CE2-CH2 3.92Å; F822-W845 HydrophobicContact CE2-CZ3 4.19Å; F822-W845 HydrophobicContact CG-CZ3 4.39Å; I843-W845 PolarHBondContact O-N 3.31Å; W845-R847 PolarHBondContact O-N 3.08Å; W845-L856 HydrophobicContact CH2-CD1 3.7Å; W845-L856 HydrophobicContact CZ2-CB 3.66Å; W845-L856 HydrophobicContact CZ2-CD1 3.6Å; W845-L856 HydrophobicContact CZ2-CG 4.26Å; W845-L856 HydrophobicContact CZ3-CD1 4.21Å; W845-L856 PolarHBondContact NE1-O 2.92Å; W845-L858 HydrophobicContact CH2-CD1 4.08Å; W845-L858 HydrophobicContact CZ2-CB 4.03Å; W845-L858 HydrophobicContact CZ2-CD1 3.91Å; W845-C924 CarbonylContact O-C 3.5Å; W845-C924 WeakPolarHBondContact O-CA 3.44Å; W845-C924 VanDerWaalsContact O-CB 3.26Å; W845-C924 WeakPolarHBondContact O-CB 3.41Å; W845-V925 WeakPolarHBondContact CB-O 3.48Å; W845-V925 PolarHBondContact N-O 3.37Å; W845-V925 PolarHBondContact O-N 2.97Å; W845-L927 HydrophobicContact CB-CD1 3.83Å; W845-L927 HydrophobicContact CB-CG 4.08Å; W845-L927 HydrophobicContact CD2-CD1 4.17Å; W845-L927 HydrophobicContact CE3-CD1 4.26Å; W845-L927 HydrophobicContact CG-CD1 4.01Å; W845-L941 HydrophobicContact CE3-CD2 3.76Å; W845-L941 HydrophobicContact CH2-CB 4.33Å; W845-L941 HydrophobicContact CH2-CD2 4.41Å; W845-L941 HydrophobicContact CZ3-CB 4.14Å; W845-L941 HydrophobicContact CZ3-CD2 3.64Å; W845-S943 VanDerWaalsContact CZ2-CB 3.49Å; W845-V964 HydrophobicContact CE3-CG1 4.45Å |
| 846 | P | 89.8 | Confident | 83 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 86.1 | 179.1 | 31.8 | -34 | 0 | 0 | 0 | 111.6 | H844 L856 C924 L962 V964 | H844-P846 WeakPolarHBondContact O-CD 3.25Å; P846-L856 HydrophobicContact CG-CD1 3.95Å; P846-L856 HydrophobicContact CG-CG 4.49Å; P846-L856 PolarHBondContact O-N 3.29Å; P846-C924 WeakPolarHBondContact CA-SG 3.07Å; P846-L962 HydrophobicContact CB-CD1 4.22Å; P846-L962 HydrophobicContact CG-CD1 3.87Å; P846-L962 HydrophobicContact CG-CG 4.42Å; P846-V964 HydrophobicContact CG-CG2 4.09Å |
| 847 | R | 86.4 | Confident | 84.4 | Confident | 63 Ų | 63 | 30 Ų | 30 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -56.2 | 178.3 | -174.8 | -170.6 | 164.2 | 147.9 | -6 | 111.6 | W845 W854 L855 E876 K923 | W845-R847 PolarHBondContact O-N 3.08Å; R847-W854 HydrophobicContact CG-CE3 3.84Å; R847-W854 HydrophobicContact CG-CH2 4.46Å; R847-W854 HydrophobicContact CG-CZ3 3.6Å; R847-W854 VanDerWaalsContact CZ-CH2 3.5Å; R847-W854 VanDerWaalsContact NH2-CH2 3.27Å; R847-W854 CarbonylContact O-C 3.37Å; R847-W854 WeakPolarHBondContact O-CA 3.24Å; R847-L855 PolarHBondContact O-N 3.22Å; R847-E876 WeakPolarHBondContact CD-OE2 3.19Å; R847-E876 IonicContact CZ-OE2 3.66Å; R847-E876 IonicContact NE-OE2 2.78Å; R847-E876 VanDerWaalsContact NH1-CD 3.29Å; R847-E876 IonicContact NH1-OE1 2.85Å; R847-E876 PolarHBondContact NH1-OE1 3.07Å; R847-E876 VanDerWaalsContact NH1-OE1 3.15Å; R847-E876 IonicContact NH1-OE2 2.63Å; R847-E876 PolarHBondContact NH1-OE2 3.2Å; R847-K923 PolarHBondContact N-O 3.29Å |
| 848 | D | 87.1 | Confident | 85.4 | Confident | 23 Ų | 23 | 29.8 Ų | 29.8 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 161 | -170.9 | -49.5 | -66.9 | 0 | 0 | 0 | 112.4 | K853 S922 K923 | D848-K853 CarbonylContact C-O 3.52Å; D848-K853 VanDerWaalsContact CA-O 3.24Å; D848-K853 WeakPolarHBondContact CA-O 3.32Å; D848-S922 CarbonylContact O-C 3.58Å; D848-S922 WeakPolarHBondContact O-CA 3.3Å; D848-S922 VanDerWaalsContact O-CB 3.23Å; D848-S922 WeakPolarHBondContact O-CB 3.26Å; D848-K923 HydrophobicContact CB-CB 4.32Å; D848-K923 PolarHBondContact N-O 2.82Å; D848-K923 PolarHBondContact O-N 2.92Å |
| 849 | N | 85.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 174.1 | 164.5 | 69.5 | 6 | 0 | 0 | 0 | 111.4 | N851 G852 K853 L855 E953 | N849-N851 PolarHBondContact O-N 2.89Å; N849-N851 VanDerWaalsContact O-N 3.14Å; N849-N851 WeakPolarHBondContact OD1-CA 3.44Å; N849-N851 WeakPolarHBondContact OD1-CB 3.19Å; N849-N851 PolarHBondContact OD1-N 2.04Å; N849-G852 PolarHBondContact O-N 3.06Å; N849-G852 PolarHBondContact OD1-N 3.4Å; N849-K853 PolarHBondContact N-O 3.02Å; N849-K853 PolarHBondContact OD1-N 3.03Å; N849-K853 PolarHBondContact OD1-O 2.96Å; N849-L855 HydrophobicContact CB-CD1 4.27Å; N849-L855 HydrophobicContact CB-CD2 4.26Å; N849-L855 HydrophobicContact CB-CG 4.32Å; N849-E953 VanDerWaalsContact ND2-CD 3.32Å; N849-E953 PolarHBondContact ND2-OE1 2.93Å; N849-E953 PolarHBondContact ND2-OE2 2.98Å |
| 850 | K | 81 | Confident | 86.6 | Confident | 125 Ų | 125 | 30.2 Ų | 30.2 | 54% | 0.543 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -38.9 | 170 | -86.6 | 170.9 | 174.4 | 161.6 | 0 | 113.5 | G852 K920 E921 K923 | K850-G852 VanDerWaalsContact C-N 3.27Å; K850-G852 PolarHBondContact O-N 2.8Å; K850-K920 WeakPolarHBondContact CE-O 3.35Å; K850-K920 PolarHBondContact NZ-O 3.16Å; K850-E921 PolarHBondContact N-O 2.81Å; K850-E921 VanDerWaalsContact N-O 3.16Å; K850-K923 WeakPolarHBondContact O-CE 3.21Å; K850-K923 PolarHBondContact O-NZ 3.22Å |
| 851 | N | 80.3 | Confident | 86.7 | Confident | 116 Ų | 116 | 31.6 Ų | 31.6 | 62% | 0.62 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.1 | -175.4 | -53.9 | -23.6 | 0 | 0 | 0 | 113.4 | N849 E953 | N849-N851 PolarHBondContact O-N 2.89Å; N849-N851 VanDerWaalsContact O-N 3.14Å; N849-N851 WeakPolarHBondContact OD1-CA 3.44Å; N849-N851 WeakPolarHBondContact OD1-CB 3.19Å; N849-N851 PolarHBondContact OD1-N 2.04Å; N851-E953 PolarHBondContact ND2-OE1 2.82Å; N851-E953 PolarHBondContact ND2-OE2 3.19Å |
| 852 | G | 77.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 34.1 Ų | 34.1 | 43% | 0.433 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 84.1 | 25.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N849 K850 | N849-G852 PolarHBondContact O-N 3.06Å; N849-G852 PolarHBondContact OD1-N 3.4Å; K850-G852 VanDerWaalsContact C-N 3.27Å; K850-G852 PolarHBondContact O-N 2.8Å |
| 853 | K | 83.8 | Confident | 86.3 | Confident | 69 Ų | 69 | 34 Ų | 34 | 30% | 0.3 | 18% | 0.176 | S | C | . | . | trans | -100.6 | 140.8 | 166.6 | -58.1 | -174 | -171.2 | 162.2 | 0 | 110.7 | D848 N849 T949 E952 E953 | D848-K853 CarbonylContact C-O 3.52Å; D848-K853 VanDerWaalsContact CA-O 3.24Å; D848-K853 WeakPolarHBondContact CA-O 3.32Å; N849-K853 PolarHBondContact N-O 3.02Å; N849-K853 PolarHBondContact OD1-N 3.03Å; N849-K853 PolarHBondContact OD1-O 2.96Å; K853-T949 HydrophobicContact CB-CG2 3.84Å; K853-T949 HydrophobicContact CD-CG2 4.19Å; K853-E952 WeakPolarHBondContact CE-OE2 3.42Å; K853-E952 IonicContact NZ-OE2 2.96Å; K853-E952 PolarHBondContact NZ-OE2 2.69Å; K853-E953 VanDerWaalsContact CD-OE1 3.28Å; K853-E953 WeakPolarHBondContact CD-OE1 3.44Å; K853-E953 WeakPolarHBondContact CE-OE1 3.09Å; K853-E953 IonicContact NZ-OE1 3.49Å; K853-E953 PolarHBondContact NZ-OE1 3.19Å | ||
| 854 | W | 84.9 | Confident | 85.7 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -52.9 | 144.1 | 176.7 | -63.8 | 97.5 | 0 | 0 | 0 | 113.9 | E807 R847 Y857 S879 L880 W946 T949 | E807-W854 PolarHBondContact OE2-NE1 3.1Å; R847-W854 HydrophobicContact CG-CE3 3.84Å; R847-W854 HydrophobicContact CG-CH2 4.46Å; R847-W854 HydrophobicContact CG-CZ3 3.6Å; R847-W854 VanDerWaalsContact CZ-CH2 3.5Å; R847-W854 VanDerWaalsContact NH2-CH2 3.27Å; R847-W854 CarbonylContact O-C 3.37Å; R847-W854 WeakPolarHBondContact O-CA 3.24Å; W854-Y857 HydrophobicContact CZ3-CD2 4.28Å; W854-S879 WeakPolarHBondContact CH2-OG 3.42Å; W854-L880 HydrophobicContact CZ2-CD1 4.21Å; W854-L880 HydrophobicContact CZ2-CD2 4.31Å; W854-L880 HydrophobicContact CZ2-CG 4.3Å; W854-W946 HydrophobicContact CB-CB 3.95Å; W854-W946 HydrophobicContact CB-CD2 3.6Å; W854-W946 HydrophobicContact CB-CE3 4.13Å; W854-W946 HydrophobicContact CB-CG 3.53Å; W854-W946 AromaticContact CD1-CE2 3.87Å; W854-W946 AromaticContact CD1-CZ2 3.81Å; W854-W946 HydrophobicContact CG-CD2 4.09Å; W854-W946 HydrophobicContact CG-CE3 4.37Å; W854-W946 HydrophobicContact CG-CG 4.48Å; W854-W946 HydrophobicContact CG-CZ2 4.27Å; W854-T949 WeakPolarHBondContact O-CB 3.06Å; W854-T949 WeakPolarHBondContact O-CG2 3.05Å; W854-T949 PolarHBondContact O-OG1 3.22Å |
| 855 | L | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -118.5 | -56.2 | 171.7 | -65.7 | 176.8 | 0 | 0 | 0 | 111.1 | R847 N849 L916 W946 T949 F950 Y954 | R847-L855 PolarHBondContact O-N 3.22Å; N849-L855 HydrophobicContact CB-CD1 4.27Å; N849-L855 HydrophobicContact CB-CD2 4.26Å; N849-L855 HydrophobicContact CB-CG 4.32Å; L855-L916 HydrophobicContact CD1-CD1 4.13Å; L855-L916 HydrophobicContact CD2-CD1 3.9Å; L855-W946 PolarHBondContact O-N 3.03Å; L855-T949 HydrophobicContact CD2-CG2 4.29Å; L855-F950 HydrophobicContact CB-CE2 4.45Å; L855-F950 HydrophobicContact CD2-CE2 3.81Å; L855-F950 HydrophobicContact CD2-CZ 3.93Å; L855-Y954 HydrophobicContact CD2-CE2 3.93Å |
| 856 | L | 88.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.1 | 173.1 | -69.3 | -175.5 | 0 | 0 | 0 | 111.8 | I820 F822 W845 P846 L945 L962 | I820-L856 HydrophobicContact CD1-CD2 4.04Å; F822-L856 HydrophobicContact CE2-CD1 3.8Å; F822-L856 HydrophobicContact CZ-CD1 4.02Å; W845-L856 HydrophobicContact CH2-CD1 3.7Å; W845-L856 HydrophobicContact CZ2-CB 3.66Å; W845-L856 HydrophobicContact CZ2-CD1 3.6Å; W845-L856 HydrophobicContact CZ2-CG 4.26Å; W845-L856 HydrophobicContact CZ3-CD1 4.21Å; W845-L856 PolarHBondContact NE1-O 2.92Å; P846-L856 HydrophobicContact CG-CD1 3.95Å; P846-L856 HydrophobicContact CG-CG 4.49Å; P846-L856 PolarHBondContact O-N 3.29Å; L856-L945 HydrophobicContact CD2-CD1 4.33Å; L856-L962 HydrophobicContact CD1-CD2 3.86Å; L856-L962 HydrophobicContact CD2-CD2 3.66Å; L856-L962 HydrophobicContact CG-CD2 3.75Å |
| 857 | Y | 87.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.1 | 166.4 | -178.4 | -117.2 | 0 | 0 | 0 | 109.9 | W854 V859 H878 L880 I883 S943 R944 W946 | W854-Y857 HydrophobicContact CZ3-CD2 4.28Å; Y857-V859 HydrophobicContact CD1-CG2 3.74Å; Y857-V859 HydrophobicContact CE1-CG2 3.94Å; Y857-H878 WeakPolarHBondContact OH-CA 3.19Å; Y857-L880 HydrophobicContact CD2-CD1 4.15Å; Y857-L880 HydrophobicContact CD2-CG 4.39Å; Y857-L880 HydrophobicContact CE2-CB 3.79Å; Y857-L880 HydrophobicContact CE2-CD1 3.93Å; Y857-L880 HydrophobicContact CE2-CG 3.75Å; Y857-L880 PolarHBondContact OH-N 2.78Å; Y857-L880 VanDerWaalsContact OH-N 3.12Å; Y857-L880 PolarHBondContact OH-O 3.35Å; Y857-I883 HydrophobicContact CE1-CD1 4.39Å; Y857-S943 CarbonylContact O-C 3.59Å; Y857-S943 WeakPolarHBondContact O-CA 3.37Å; Y857-S943 VanDerWaalsContact O-CB 3.31Å; Y857-S943 WeakPolarHBondContact O-CB 3.33Å; Y857-R944 PolarHBondContact N-O 2.95Å; Y857-R944 PolarHBondContact O-N 2.9Å; Y857-W946 HydrophobicContact CD2-CZ3 4.39Å; Y857-W946 HydrophobicContact CG-CZ3 4.11Å |
| 858 | L | 88.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.5 | 178.3 | -178.9 | 62 | 0 | 0 | 0 | 110 | W845 V861 I877 H878 L927 L941 | W845-L858 HydrophobicContact CH2-CD1 4.08Å; W845-L858 HydrophobicContact CZ2-CB 4.03Å; W845-L858 HydrophobicContact CZ2-CD1 3.91Å; L858-V861 HydrophobicContact CD1-CG2 4.16Å; L858-V861 HydrophobicContact CD2-CG2 4.03Å; L858-V861 HydrophobicContact CG-CG2 4.4Å; L858-I877 HydrophobicContact CD2-CG1 3.96Å; L858-H878 PolarHBondContact O-N 3.18Å; L858-L927 HydrophobicContact CD2-CD1 3.74Å; L858-L927 HydrophobicContact CD2-CD2 4.26Å; L858-L941 HydrophobicContact CD1-CB 3.94Å; L858-L941 HydrophobicContact CD1-CD2 4.21Å; L858-L941 HydrophobicContact CD1-CG 4.4Å |
| 859 | V | 86.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -46.4 | -172.9 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | E813 Y857 R942 R944 | E813-V859 HydrophobicContact CG-CG1 4.09Å; E813-V859 HydrophobicContact CG-CG2 3.91Å; Y857-V859 HydrophobicContact CD1-CG2 3.74Å; Y857-V859 HydrophobicContact CE1-CG2 3.94Å; V859-R942 HydrophobicContact CB-CG 4.42Å; V859-R942 WeakPolarHBondContact CB-O 3.41Å; V859-R942 PolarHBondContact N-O 3.36Å; V859-R944 HydrophobicContact CG2-CG 3.89Å |
| 860 | K | 86.4 | Confident | 81.2 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 160.2 | 171.4 | 62.3 | -172.9 | 179.1 | -159.6 | 0 | 112.3 | E885 R942 | K860-E885 VanDerWaalsContact CE-OE1 3.24Å; K860-E885 WeakPolarHBondContact CE-OE1 3.42Å; K860-E885 VanDerWaalsContact NZ-CD 3.25Å; K860-E885 IonicContact NZ-OE1 2.61Å; K860-E885 PolarHBondContact NZ-OE1 3.16Å; K860-E885 IonicContact NZ-OE2 3.97Å; K860-E885 PolarHBondContact NZ-OE2 3.21Å; K860-E885 VanDerWaalsContact NZ-OE2 3.08Å; K860-R942 HydrophobicContact CG-CB 3.92Å; K860-R942 PolarHBondContact N-O 3.34Å; K860-R942 PolarHBondContact O-N 3.36Å |
| 861 | V | 87.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.3 | 170.3 | -172 | 0 | 0 | 0 | 0 | 108.8 | L858 I877 V939 E940 L941 | L858-V861 HydrophobicContact CD1-CG2 4.16Å; L858-V861 HydrophobicContact CD2-CG2 4.03Å; L858-V861 HydrophobicContact CG-CG2 4.4Å; V861-I877 HydrophobicContact CB-CD1 4.46Å; V861-I877 HydrophobicContact CG2-CD1 3.92Å; V861-I877 HydrophobicContact CG2-CG1 4.24Å; V861-V939 HydrophobicContact CG1-CG1 3.8Å; V861-E940 CarbonylContact C-O 3.51Å; V861-E940 WeakPolarHBondContact CA-O 3.32Å; V861-L941 HydrophobicContact CG1-CG 4.22Å; V861-L941 HydrophobicContact CG2-CG 4.14Å |
| 862 | T | 86.7 | Confident | 81.7 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.6 | -180 | 39 | 0 | 0 | 0 | 0 | 110.2 | E940 | T862-E940 PolarHBondContact N-O 3.13Å; T862-E940 PolarHBondContact O-N 3.49Å |
| 863 | S | 85.3 | Confident | 82 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.2 | -178.5 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | I869 T938 | S863-I869 PolarHBondContact OG-N 2.03Å; S863-T938 CarbonylContact C-O 3.59Å; S863-T938 WeakPolarHBondContact CA-O 3.26Å |
| 864 | H | 77.2 | Confident | 81.7 | Confident | 117 Ų | 117 | 52.1 Ų | 52.1 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.3 | 173 | -65.5 | -79 | 0 | 0 | 0 | 109.2 | T938 | H864-T938 PolarHBondContact N-O 3.03Å; H864-T938 PolarHBondContact O-N 3.02Å |
| 865 | G | 69.2 | Low | 81.3 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 46% | 0.464 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 175.5 | -174.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E867 | G865-E867 VanDerWaalsContact C-N 3.25Å; G865-E867 PolarHBondContact O-N 2.73Å |
| 866 | P | 61.5 | Low | 81 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 69% | 0.688 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -67.3 | -24.5 | 179 | 27.6 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 867 | E | 66.7 | Low | 80.6 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -134.5 | 161.7 | -173.7 | -64.9 | 176.8 | 136.7 | 0 | 0 | 111.3 | G865 Q932 | G865-E867 VanDerWaalsContact C-N 3.25Å; G865-E867 PolarHBondContact O-N 2.73Å; E867-Q932 WeakPolarHBondContact OE2-CB 3.46Å |
| 868 | K | 73.8 | Confident | 80.2 | Confident | 191 Ų | 191 | 59.9 Ų | 59.9 | 83% | 0.83 | 34% | 0.338 | S | S | * | . | trans | -91.6 | 117.6 | -177.8 | -68.8 | -177 | -179.6 | 178.2 | 0 | 111.1 | ||||
| 869 | I | 82.2 | Confident | 79.3 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | trans | -89.3 | 123.4 | -179.7 | -64.1 | 162.8 | 0 | 0 | 0 | 110.2 | S863 C929 P930 L931 T937 V939 | S863-I869 PolarHBondContact OG-N 2.03Å; I869-C929 HydrophobicContact CG2-CB 3.94Å; I869-P930 WeakPolarHBondContact CG2-O 3.35Å; I869-L931 HydrophobicContact CD1-CD2 3.74Å; I869-T937 HydrophobicContact CD1-CG2 3.48Å; I869-T937 VanDerWaalsContact CD1-CG2 3.48Å; I869-V939 HydrophobicContact CD1-CG2 4Å | ||
| 870 | A | 83 | Confident | 78.7 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | trans | -103.1 | 104.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 871 | C | 86.6 | Confident | 77.6 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | trans | -75.6 | 154.6 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | Q874 K928 C929 | C871-Q874 PolarHBondContact O-NE2 3.42Å; C871-K928 CarbonylContact C-O 3.55Å; C871-K928 VanDerWaalsContact CA-O 3.25Å; C871-K928 WeakPolarHBondContact CA-O 3.18Å; C871-C929 HydrophobicContact CB-CB 4.09Å; C871-C929 WeakPolarHBondContact CB-SG 3.42Å; C871-C929 WeakPolarHBondContact SG-CB 3.41Å; C871-C929 CovalentContact SG-SG 2.04Å; C871-C929 PolarHBondContact SG-SG 2.85Å | ||
| 872 | S | 85.3 | Confident | 76.4 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -128.5 | 154.9 | 176.8 | 63 | 0 | 0 | 0 | 0 | 111.3 | L927 K928 | S872-L927 CarbonylContact O-C 3.55Å; S872-L927 WeakPolarHBondContact O-CA 3.4Å; S872-K928 PolarHBondContact N-O 2.87Å; S872-K928 PolarHBondContact O-N 2.91Å; S872-K928 PolarHBondContact OG-O 3.13Å |
| 873 | P | 82.9 | Confident | 75.5 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | cis | -75.8 | 137.5 | -4.9 | 29.8 | -32.7 | 0 | 0 | 0 | 113 | S875 E876 V925 | P873-S875 PolarHBondContact O-N 2.99Å; P873-E876 HydrophobicContact CG-CG 3.95Å; P873-E876 PolarHBondContact O-N 3.2Å; P873-V925 HydrophobicContact CG-CG1 4.1Å | ||
| 874 | Q | 77.8 | Confident | 74.3 | Confident | 116 Ų | 116 | 79 Ų | 79 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -66.4 | -16.9 | -180 | -73.2 | -81.4 | -43.4 | 0 | 0 | 113.5 | C871 E876 I877 | C871-Q874 PolarHBondContact O-NE2 3.42Å; Q874-E876 PolarHBondContact O-N 3.39Å; Q874-I877 PolarHBondContact O-N 3.26Å |
| 875 | S | 77.1 | Confident | 73.4 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -62 | -22.9 | 177.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | P873 S879 | P873-S875 PolarHBondContact O-N 2.99Å; S875-S879 VanDerWaalsContact O-CB 3.27Å; S875-S879 WeakPolarHBondContact O-CB 3.21Å |
| 876 | E | 81.6 | Confident | 72.8 | Confident | 26 Ų | 26 | 84.8 Ų | 84.8 | 12% | 0.121 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -89.1 | -19.4 | -177.8 | -55.7 | -56.8 | 115 | 0 | 0 | 112.8 | R847 P873 Q874 H878 V925 L927 | R847-E876 WeakPolarHBondContact CD-OE2 3.19Å; R847-E876 IonicContact CZ-OE2 3.66Å; R847-E876 IonicContact NE-OE2 2.78Å; R847-E876 VanDerWaalsContact NH1-CD 3.29Å; R847-E876 IonicContact NH1-OE1 2.85Å; R847-E876 PolarHBondContact NH1-OE1 3.07Å; R847-E876 VanDerWaalsContact NH1-OE1 3.15Å; R847-E876 IonicContact NH1-OE2 2.63Å; R847-E876 PolarHBondContact NH1-OE2 3.2Å; P873-E876 HydrophobicContact CG-CG 3.95Å; P873-E876 PolarHBondContact O-N 3.2Å; Q874-E876 PolarHBondContact O-N 3.39Å; E876-H878 PolarHBondContact O-N 2.99Å; E876-V925 HydrophobicContact CG-CB 4.44Å; E876-V925 HydrophobicContact CG-CG1 4.04Å; E876-V925 HydrophobicContact CG-CG2 4.4Å; E876-L927 HydrophobicContact CB-CD2 4.34Å |
| 877 | I | 79.5 | Confident | 71.9 | Confident | 30 Ų | 30 | 84.8 Ų | 84.8 | 15% | 0.154 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 113 | -179.6 | -50.5 | 177.7 | 0 | 0 | 0 | 107.3 | L858 V861 Q874 S879 | L858-I877 HydrophobicContact CD2-CG1 3.96Å; V861-I877 HydrophobicContact CB-CD1 4.46Å; V861-I877 HydrophobicContact CG2-CD1 3.92Å; V861-I877 HydrophobicContact CG2-CG1 4.24Å; Q874-I877 PolarHBondContact O-N 3.26Å; I877-S879 PolarHBondContact O-N 3.08Å |
| 878 | H | 78.6 | Confident | 70.8 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 47.3 | -175.6 | -155.5 | 91.8 | 0 | 0 | 0 | 113.5 | Y857 L858 E876 L880 I883 | Y857-H878 WeakPolarHBondContact OH-CA 3.19Å; L858-H878 PolarHBondContact O-N 3.18Å; E876-H878 PolarHBondContact O-N 2.99Å; H878-L880 PolarHBondContact O-N 2.91Å; H878-I883 PolarHBondContact CE1-O 3.25Å; H878-I883 PolarHBondContact NE2-O 3.48Å |
| 879 | S | 69.4 | Low | 69 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | trans | -59.7 | -27.4 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 114 | W854 S875 I877 K881 | W854-S879 WeakPolarHBondContact CH2-OG 3.42Å; S875-S879 VanDerWaalsContact O-CB 3.27Å; S875-S879 WeakPolarHBondContact O-CB 3.21Å; I877-S879 PolarHBondContact O-N 3.08Å; S879-K881 PolarHBondContact O-N 2.68Å | ||
| 880 | L | 73.8 | Confident | 67 | Low | 31 Ų | 31 | 89.1 Ų | 89.1 | 16% | 0.162 | 48% | 0.478 | C | S | . | . | trans | -100.1 | 72.1 | -179.7 | -58.6 | 177.4 | 0 | 0 | 0 | 111.1 | E807 W854 Y857 H878 N882 I883 W946 | E807-L880 HydrophobicContact CG-CD1 3.92Å; E807-L880 HydrophobicContact CG-CD2 4.21Å; E807-L880 WeakPolarHBondContact OE1-CD2 3.2Å; W854-L880 HydrophobicContact CZ2-CD1 4.21Å; W854-L880 HydrophobicContact CZ2-CD2 4.31Å; W854-L880 HydrophobicContact CZ2-CG 4.3Å; Y857-L880 HydrophobicContact CD2-CD1 4.15Å; Y857-L880 HydrophobicContact CD2-CG 4.39Å; Y857-L880 HydrophobicContact CE2-CB 3.79Å; Y857-L880 HydrophobicContact CE2-CD1 3.93Å; Y857-L880 HydrophobicContact CE2-CG 3.75Å; Y857-L880 PolarHBondContact OH-N 2.78Å; Y857-L880 VanDerWaalsContact OH-N 3.12Å; Y857-L880 PolarHBondContact OH-O 3.35Å; H878-L880 PolarHBondContact O-N 2.91Å; L880-N882 PolarHBondContact O-N 3.09Å; L880-I883 HydrophobicContact CB-CD1 3.85Å; L880-I883 HydrophobicContact CB-CG1 4.24Å; L880-I883 HydrophobicContact CD1-CD1 4.05Å; L880-I883 PolarHBondContact O-N 2.9Å; L880-W946 HydrophobicContact CD1-CH2 3.54Å; L880-W946 HydrophobicContact CD1-CZ3 4.01Å | ||
| 881 | K | 64.6 | Low | 64.7 | Low | 176 Ų | 176 | 92 Ų | 92 | 77% | 0.765 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -7.3 | -174.9 | -60 | -176.3 | -179.9 | -178.6 | 0 | 117.2 | S879 | S879-K881 PolarHBondContact O-N 2.68Š|
| 882 | N | 62.4 | Low | 62.2 | Low | 139 Ų | 139 | 99.9 Ų | 99.9 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.7 | 178 | -64.2 | -15 | 0 | 0 | 0 | 113 | L880 | L880-N882 PolarHBondContact O-N 3.09Š|
| 883 | I | 66.8 | Low | 59.8 | Low | 6 Ų | 6 | 107 Ų | 107 | 3% | 0.031 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -93.5 | 110.5 | -175.2 | -58.5 | -178.8 | 0 | 0 | 0 | 109.7 | M810 T812 Y857 H878 L880 | M810-I883 HydrophobicContact CB-CD1 4.12Å; M810-I883 HydrophobicContact CB-CG1 4.41Å; T812-I883 WeakPolarHBondContact O-CG2 3.27Å; Y857-I883 HydrophobicContact CE1-CD1 4.39Å; H878-I883 PolarHBondContact CE1-O 3.25Å; H878-I883 PolarHBondContact NE2-O 3.48Å; L880-I883 HydrophobicContact CB-CD1 3.85Å; L880-I883 HydrophobicContact CB-CG1 4.24Å; L880-I883 HydrophobicContact CD1-CD1 4.05Å; L880-I883 PolarHBondContact O-N 2.9Å |
| 884 | W | 59.8 | Low | 57.4 | Low | 207 Ų | 207 | 110.7 Ų | 110.7 | 78% | 0.784 | 56% | 0.563 | S | S | * | * | B | Isolated β-bridge | trans | -74.7 | 131.5 | -176.4 | -79.1 | 36 | 0 | 0 | 0 | 112.5 | K811 E813 | K811-W884 PolarHBondContact O-N 2.95Å; E813-W884 PolarHBondContact N-O 2.88Å |
| 885 | E | 59.3 | Low | 55.4 | Low | 85 Ų | 85 | 112.7 Ų | 112.7 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | trans | -76.6 | 139 | 166.6 | -179.7 | 168.8 | -141 | 0 | 0 | 110.1 | K860 R942 | K860-E885 VanDerWaalsContact CE-OE1 3.24Å; K860-E885 WeakPolarHBondContact CE-OE1 3.42Å; K860-E885 VanDerWaalsContact NZ-CD 3.25Å; K860-E885 IonicContact NZ-OE1 2.61Å; K860-E885 PolarHBondContact NZ-OE1 3.16Å; K860-E885 IonicContact NZ-OE2 3.97Å; K860-E885 PolarHBondContact NZ-OE2 3.21Å; K860-E885 VanDerWaalsContact NZ-OE2 3.08Å; E885-R942 IonicContact OE1-NE 3.48Å | ||
| 886 | R | 55.6 | Low | 53.3 | Low | 198 Ų | 198 | 115.4 Ų | 115.4 | 75% | 0.747 | 59% | 0.588 | S | S | * | * | trans | -115 | 118.8 | -177.5 | -151.6 | 176.3 | -169.2 | -167.7 | 1.6 | 111.4 | ||||
| 887 | S | 43.8 | Very low | 51 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | trans | -60.3 | 137 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | S889 | S887-S889 PolarHBondContact O-N 3.46Š| ||
| 888 | P | 43 | Very low | 48.7 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | trans | -75.6 | 94 | -177.8 | 30 | -34.7 | 0 | 0 | 0 | 111.8 | ||||
| 889 | S | 36.6 | Very low | 46.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -76.4 | 125.3 | 167.3 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | S887 | S887-S889 PolarHBondContact O-N 3.46Š| ||
| 890 | L | 40.5 | Very low | 44.8 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | trans | -61.5 | 157.6 | 170.6 | -76.6 | 159.5 | 0 | 0 | 0 | 111.7 | ||||
| 891 | T | 33.8 | Very low | 42.7 | Very low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | 73.3 | 83.3 | 166.3 | -33.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 892 | K | 34.1 | Very low | 41.1 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 73% | 0.726 | 74% | 0.737 | S | S | * | * | -177.8 | 108.6 | 123.6 | -102.4 | -176.1 | -176.8 | -125.3 | 0 | 111.9 | E894 | K892-E894 WeakPolarHBondContact CE-OE2 3.43Å; K892-E894 IonicContact NZ-OE2 2.72Å; K892-E894 PolarHBondContact NZ-OE2 3.07Å | |||
| 893 | Q | 34.8 | Very low | 39.7 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 96% | 0.958 | 74% | 0.74 | S | S | * | * | trans | -102.5 | 72.7 | 157.4 | -94.4 | -170 | -27.3 | 0 | 0 | 109 | ||||
| 894 | E | 33.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | trans | -117 | 106 | 169.1 | -75.4 | -171.4 | 121.5 | 0 | 0 | 110.4 | K892 | K892-E894 WeakPolarHBondContact CE-OE2 3.43Å; K892-E894 IonicContact NZ-OE2 2.72Å; K892-E894 PolarHBondContact NZ-OE2 3.07Å | ||
| 895 | I | 35.6 | Very low | 37.2 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 28.3 | 95.6 | 141.6 | -46.9 | 175.2 | 0 | 0 | 0 | 116.1 | ||||
| 896 | V | 31.7 | Very low | 36.3 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -123.6 | 82.6 | 149.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | K898 | V896-K898 PolarHBondContact O-N 3.37Š| ||
| 897 | K | 33.1 | Very low | 35.8 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 107.3 | 153.6 | -84.1 | -175.1 | 175.2 | 179.2 | 0 | 107.6 | ||||
| 898 | K | 31.8 | Very low | 36 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | trans | -151.8 | 112.4 | 153.5 | -138.1 | 171 | -177.2 | 178.2 | 0 | 114.8 | V896 | V896-K898 PolarHBondContact O-N 3.37Š| ||
| 899 | E | 31.9 | Very low | 36.4 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | 31.7 | 101.2 | 144 | -56.8 | 177.3 | 95.2 | 0 | 0 | 118.3 | ||||
| 900 | R | 33.5 | Very low | 37.4 | Very low | 226 Ų | 226 | 141.7 Ų | 141.7 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -124 | 121.4 | 145.2 | -74 | -171.2 | 169 | 163.8 | -0.9 | 109.1 | ||||
| 901 | K | 30.5 | Very low | 38.1 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | trans | -88.1 | 129.2 | -176.5 | -74 | 179.7 | 178.1 | 174.1 | 0 | 110.8 | ||||
| 902 | L | 30.4 | Very low | 39.6 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 70% | 0.696 | S | S | * | * | trans | 43.3 | 96.3 | 137.6 | -155.7 | 74.4 | 0 | 0 | 0 | 117.3 | ||||
| 903 | G | 33.1 | Very low | 41.3 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -144.9 | 29.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K905 | G903-K905 PolarHBondContact O-N 3.09Š| ||
| 904 | G | 32.8 | Very low | 43.6 | Very low | 45 Ų | 45 | 126.4 Ų | 126.4 | 46% | 0.464 | 65% | 0.652 | S | S | . | * | trans | -68.6 | 114.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 905 | K | 41.2 | Very low | 46 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | trans | -91.9 | 118.4 | 156.9 | -81.6 | -174.5 | 174.6 | -179.9 | 0 | 108.3 | G903 V907 | G903-K905 PolarHBondContact O-N 3.09Å; K905-V907 PolarHBondContact O-N 3.38Å | ||
| 906 | I | 41.3 | Very low | 48.4 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | trans | -74.1 | 123 | 173.4 | -58.4 | 170.2 | 0 | 0 | 0 | 108 | ||||
| 907 | V | 45.8 | Very low | 51 | Low | 69 Ų | 69 | 110.7 Ų | 110.7 | 42% | 0.418 | 57% | 0.573 | S | S | . | * | trans | -118.7 | 118.3 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110 | K905 H909 | K905-V907 PolarHBondContact O-N 3.38Å; V907-H909 PolarHBondContact O-N 3.48Å; V907-H909 PolarHBondContact O-ND1 3.26Å | ||
| 908 | F | 47.6 | Very low | 53.4 | Low | 192 Ų | 192 | 102.9 Ų | 102.9 | 84% | 0.842 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 129.8 | 176 | -73.9 | -95.6 | 0 | 0 | 0 | 110.6 | ||
| 909 | H | 51.8 | Low | 55.5 | Low | 79 Ų | 79 | 102.3 Ų | 102.3 | 37% | 0.366 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 138.8 | -177.1 | -82.9 | 31.2 | 0 | 0 | 0 | 112.7 | V907 S956 | V907-H909 PolarHBondContact O-N 3.48Å; V907-H909 PolarHBondContact O-ND1 3.26Å; H909-S956 CarbonylContact C-O 3.5Å; H909-S956 WeakPolarHBondContact CA-O 3.09Å |
| 910 | S | 55.8 | Low | 57.4 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 29% | 0.287 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 142.6 | 160.1 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | S912 S956 P958 | S910-S912 VanDerWaalsContact C-N 3.3Å; S910-S912 PolarHBondContact O-N 3.3Å; S910-S912 PolarHBondContact OG-N 3.29Å; S910-S912 PolarHBondContact OG-OG 3.44Å; S910-S912 VanDerWaalsContact OG-OG 3.09Å; S910-S956 PolarHBondContact N-O 3.35Å; S910-P958 WeakPolarHBondContact O-CD 3.49Å |
| 911 | S | 56.4 | Low | 59.2 | Low | 129 Ų | 129 | 94.2 Ų | 94.2 | 90% | 0.902 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -80.3 | -6.1 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 912 | S | 64.1 | Low | 61.6 | Low | 65 Ų | 65 | 85.9 Ų | 85.9 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -102.3 | 132.7 | -179.5 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | S910 F957 | S910-S912 VanDerWaalsContact C-N 3.3Å; S910-S912 PolarHBondContact O-N 3.3Å; S910-S912 PolarHBondContact OG-N 3.29Å; S910-S912 PolarHBondContact OG-OG 3.44Å; S910-S912 VanDerWaalsContact OG-OG 3.09Å; S912-F957 WeakPolarHBondContact O-CD1 2.96Å |
| 913 | N | 71.3 | Confident | 64.1 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 138.1 | 169.4 | -68 | -26.5 | 0 | 0 | 0 | 110.3 | T959 | N913-T959 WeakPolarHBondContact CA-O 3.37Å; N913-T959 PolarHBondContact ND2-OG1 3.46Å; N913-T959 PolarHBondContact OD1-OG1 2.72Å |
| 914 | K | 82.4 | Confident | 66.6 | Low | 54 Ų | 54 | 81 Ų | 81 | 24% | 0.235 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.5 | -178.7 | -168 | 56.7 | 156.4 | 163.1 | 0 | 110.2 | E921 Y954 F957 T959 T960 T961 | K914-E921 WeakPolarHBondContact CD-OE2 3.41Å; K914-E921 WeakPolarHBondContact CE-OE2 2.87Å; K914-E921 IonicContact NZ-OE1 2.96Å; K914-E921 PolarHBondContact NZ-OE1 3.14Å; K914-E921 IonicContact NZ-OE2 2.97Å; K914-E921 PolarHBondContact NZ-OE2 2.93Å; K914-Y954 HydrophobicContact CG-CD1 4.24Å; K914-Y954 HydrophobicContact CG-CE1 4.17Å; K914-F957 HydrophobicContact CB-CB 4.4Å; K914-F957 HydrophobicContact CB-CD1 4.01Å; K914-F957 HydrophobicContact CB-CD2 4.12Å; K914-F957 HydrophobicContact CB-CE1 4.29Å; K914-F957 HydrophobicContact CB-CE2 4.42Å; K914-F957 HydrophobicContact CB-CG 3.92Å; K914-F957 HydrophobicContact CB-CZ 4.49Å; K914-F957 HydrophobicContact CD-CE1 4.39Å; K914-F957 HydrophobicContact CD-CZ 4.19Å; K914-F957 HydrophobicContact CG-CD2 4.38Å; K914-F957 HydrophobicContact CG-CE2 4.25Å; K914-F957 HydrophobicContact CG-CZ 4.35Å; K914-T959 PolarHBondContact N-O 2.81Å; K914-T960 HydrophobicContact CB-CG2 4.15Å; K914-T960 HydrophobicContact CG-CG2 4.43Å; K914-T960 CarbonylContact O-C 3.46Å; K914-T960 WeakPolarHBondContact O-CA 3.37Å; K914-T961 PolarHBondContact O-N 3.29Å |
| 915 | V | 84.7 | Confident | 69.3 | Low | 72 Ų | 72 | 80.8 Ų | 80.8 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 112.6 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | T961 V963 | V915-T961 CarbonylContact C-O 3.58Å; V915-T961 WeakPolarHBondContact CA-O 3.48Å; V915-V963 HydrophobicContact CG1-CG2 3.76Å |
| 916 | L | 85.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 101.4 | 179.7 | -60.6 | 179.5 | 0 | 0 | 0 | 109.7 | L855 E921 F950 Y954 T960 T961 L962 V963 | L855-L916 HydrophobicContact CD1-CD1 4.13Å; L855-L916 HydrophobicContact CD2-CD1 3.9Å; L916-E921 HydrophobicContact CD2-CB 4.24Å; L916-F950 HydrophobicContact CD1-CE1 4.04Å; L916-F950 HydrophobicContact CD1-CZ 3.92Å; L916-Y954 HydrophobicContact CD1-CE1 4.26Å; L916-Y954 HydrophobicContact CD1-CE2 4.26Å; L916-Y954 HydrophobicContact CD2-CE1 3.83Å; L916-T960 HydrophobicContact CD1-CG2 3.6Å; L916-T960 HydrophobicContact CG-CG2 3.73Å; L916-T961 PolarHBondContact N-O 3.48Å; L916-L962 HydrophobicContact CB-CD1 3.96Å; L916-V963 PolarHBondContact O-N 3Å |
| 917 | S | 85.4 | Confident | 73.8 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | trans | -135 | 151 | 177.5 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | E919 K920 E921 S922 | S917-E919 PolarHBondContact O-N 3.49Å; S917-E919 VanDerWaalsContact O-N 3.14Å; S917-K920 PolarHBondContact O-N 3.08Å; S917-K920 VanDerWaalsContact O-N 3.08Å; S917-E921 PolarHBondContact O-N 3.45Å; S917-S922 PolarHBondContact O-N 2.72Å; S917-S922 PolarHBondContact O-OG 2.68Å | ||
| 918 | C | 83 | Confident | 75.9 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.4 | -174.8 | -59.4 | 0 | 0 | 0 | 0 | 115 | S922 C924 | C918-S922 PolarHBondContact N-OG 2.78Å; C918-C924 WeakPolarHBondContact CA-SG 3.43Å; C918-C924 HydrophobicContact CB-CB 3.66Å; C918-C924 WeakPolarHBondContact CB-SG 3.33Å; C918-C924 WeakPolarHBondContact SG-CB 3Å; C918-C924 CovalentContact SG-SG 2.02Å; C918-C924 PolarHBondContact SG-SG 3.45Å |
| 919 | E | 77.5 | Confident | 77.9 | Confident | 150 Ų | 150 | 61.6 Ų | 61.6 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16 | -179.4 | -63.9 | 172.3 | -177.2 | 0 | 0 | 112.4 | S917 | S917-E919 PolarHBondContact O-N 3.49Å; S917-E919 VanDerWaalsContact O-N 3.14Å |
| 920 | K | 70.3 | Confident | 79.5 | Confident | 151 Ų | 151 | 60.4 Ų | 60.4 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.7 | -41.3 | -167.3 | -67.1 | -174 | -178.8 | 177.4 | 0 | 116 | K850 S917 | K850-K920 WeakPolarHBondContact CE-O 3.35Å; K850-K920 PolarHBondContact NZ-O 3.16Å; S917-K920 PolarHBondContact O-N 3.08Å; S917-K920 VanDerWaalsContact O-N 3.08Å |
| 921 | E | 71.2 | Confident | 80.7 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | -14.2 | -167 | -62.5 | -155.6 | 147.9 | 0 | 0 | 117 | K850 K914 L916 S917 | K850-E921 PolarHBondContact N-O 2.81Å; K850-E921 VanDerWaalsContact N-O 3.16Å; K914-E921 WeakPolarHBondContact CD-OE2 3.41Å; K914-E921 WeakPolarHBondContact CE-OE2 2.87Å; K914-E921 IonicContact NZ-OE1 2.96Å; K914-E921 PolarHBondContact NZ-OE1 3.14Å; K914-E921 IonicContact NZ-OE2 2.97Å; K914-E921 PolarHBondContact NZ-OE2 2.93Å; L916-E921 HydrophobicContact CD2-CB 4.24Å; S917-E921 PolarHBondContact O-N 3.45Å |
| 922 | S | 81.1 | Confident | 81.2 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.7 | 172.3 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | D848 S917 C918 C924 | D848-S922 CarbonylContact O-C 3.58Å; D848-S922 WeakPolarHBondContact O-CA 3.3Å; D848-S922 VanDerWaalsContact O-CB 3.23Å; D848-S922 WeakPolarHBondContact O-CB 3.26Å; S917-S922 PolarHBondContact O-N 2.72Å; S917-S922 PolarHBondContact O-OG 2.68Å; C918-S922 PolarHBondContact N-OG 2.78Å; S922-C924 PolarHBondContact OG-SG 3.17Å |
| 923 | K | 84 | Confident | 81.2 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.4 | 164.3 | -66 | 171.5 | -178.3 | 163 | 0 | 107.2 | R847 D848 K850 | R847-K923 PolarHBondContact N-O 3.29Å; D848-K923 HydrophobicContact CB-CB 4.32Å; D848-K923 PolarHBondContact N-O 2.82Å; D848-K923 PolarHBondContact O-N 2.92Å; K850-K923 WeakPolarHBondContact O-CE 3.21Å; K850-K923 PolarHBondContact O-NZ 3.22Å |
| 924 | C | 85.6 | Confident | 81 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.1 | -174.9 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | W845 P846 C918 S922 | W845-C924 CarbonylContact O-C 3.5Å; W845-C924 WeakPolarHBondContact O-CA 3.44Å; W845-C924 VanDerWaalsContact O-CB 3.26Å; W845-C924 WeakPolarHBondContact O-CB 3.41Å; P846-C924 WeakPolarHBondContact CA-SG 3.07Å; C918-C924 WeakPolarHBondContact CA-SG 3.43Å; C918-C924 HydrophobicContact CB-CB 3.66Å; C918-C924 WeakPolarHBondContact CB-SG 3.33Å; C918-C924 WeakPolarHBondContact SG-CB 3Å; C918-C924 CovalentContact SG-SG 2.02Å; C918-C924 PolarHBondContact SG-SG 3.45Å; S922-C924 PolarHBondContact OG-SG 3.17Å |
| 925 | V | 88.4 | Confident | 80.2 | Confident | 40 Ų | 40 | 55 Ų | 55 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.5 | 168.8 | -172 | 0 | 0 | 0 | 0 | 108.5 | W845 P873 E876 L927 | W845-V925 WeakPolarHBondContact CB-O 3.48Å; W845-V925 PolarHBondContact N-O 3.37Å; W845-V925 PolarHBondContact O-N 2.97Å; P873-V925 HydrophobicContact CG-CG1 4.1Å; E876-V925 HydrophobicContact CG-CB 4.44Å; E876-V925 HydrophobicContact CG-CG1 4.04Å; E876-V925 HydrophobicContact CG-CG2 4.4Å; V925-L927 PolarHBondContact O-N 2.88Å |
| 926 | V | 89.3 | Confident | 79.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 106.9 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | H842 I843 K928 | H842-V926 HydrophobicContact CB-CG1 3.89Å; I843-V926 WeakPolarHBondContact O-CA 3.42Å; V926-K928 HydrophobicContact CG1-CG 4.41Å; V926-K928 PolarHBondContact O-N 2.7Å |
| 927 | L | 89.3 | Confident | 79 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.8 | 170 | -60.2 | 170.9 | 0 | 0 | 0 | 108.2 | H842 I843 W845 L858 S872 E876 V925 L941 | H842-L927 WeakPolarHBondContact CA-O 3.49Å; I843-L927 HydrophobicContact CB-CB 4.32Å; I843-L927 PolarHBondContact N-O 2.9Å; I843-L927 PolarHBondContact O-N 2.69Å; W845-L927 HydrophobicContact CB-CD1 3.83Å; W845-L927 HydrophobicContact CB-CG 4.08Å; W845-L927 HydrophobicContact CD2-CD1 4.17Å; W845-L927 HydrophobicContact CE3-CD1 4.26Å; W845-L927 HydrophobicContact CG-CD1 4.01Å; L858-L927 HydrophobicContact CD2-CD1 3.74Å; L858-L927 HydrophobicContact CD2-CD2 4.26Å; S872-L927 CarbonylContact O-C 3.55Å; S872-L927 WeakPolarHBondContact O-CA 3.4Å; E876-L927 HydrophobicContact CB-CD2 4.34Å; V925-L927 PolarHBondContact O-N 2.88Å; L927-L941 HydrophobicContact CD1-CD2 3.63Å |
| 928 | K | 89.9 | Confident | 79 | Confident | 96 Ų | 96 | 53.6 Ų | 53.6 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 111.9 | 176.7 | -58.7 | -163.9 | 171.6 | -170.3 | 0 | 109.8 | T840 C871 S872 V926 | T840-K928 HydrophobicContact CG2-CB 3.87Å; C871-K928 CarbonylContact C-O 3.55Å; C871-K928 VanDerWaalsContact CA-O 3.25Å; C871-K928 WeakPolarHBondContact CA-O 3.18Å; S872-K928 PolarHBondContact N-O 2.87Å; S872-K928 PolarHBondContact O-N 2.91Å; S872-K928 PolarHBondContact OG-O 3.13Å; V926-K928 HydrophobicContact CG1-CG 4.41Å; V926-K928 PolarHBondContact O-N 2.7Å |
| 929 | C | 88.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 98.9 | 179.3 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | L841 I869 C871 | L841-C929 HydrophobicContact CB-CB 4.21Å; L841-C929 PolarHBondContact N-O 3.13Å; L841-C929 PolarHBondContact O-N 2.7Å; I869-C929 HydrophobicContact CG2-CB 3.94Å; C871-C929 HydrophobicContact CB-CB 4.09Å; C871-C929 WeakPolarHBondContact CB-SG 3.42Å; C871-C929 WeakPolarHBondContact SG-CB 3.41Å; C871-C929 CovalentContact SG-SG 2.04Å; C871-C929 PolarHBondContact SG-SG 2.85Å |
| 930 | P | 85.8 | Confident | 79.9 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.3 | 179.4 | 27.7 | -33.9 | 0 | 0 | 0 | 110.9 | I869 | I869-P930 WeakPolarHBondContact CG2-O 3.35Å |
| 931 | L | 80.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 100.5 | -175.7 | -52.7 | -176.8 | 0 | 0 | 0 | 110.1 | I826 L839 L841 I869 T937 L968 | I826-L931 HydrophobicContact CD1-CD1 3.97Å; I826-L931 HydrophobicContact CG1-CD1 3.97Å; L839-L931 WeakPolarHBondContact O-CA 3.25Å; L839-L931 WeakPolarHBondContact O-CB 3.31Å; L839-L931 PolarHBondContact O-N 3.28Å; L841-L931 HydrophobicContact CB-CD1 4.22Å; L841-L931 HydrophobicContact CB-CD2 4.18Å; L841-L931 HydrophobicContact CB-CG 4.27Å; I869-L931 HydrophobicContact CD1-CD2 3.74Å; L931-T937 HydrophobicContact CD2-CG2 4.33Å; L931-L968 HydrophobicContact CD1-CD2 3.74Å |
| 932 | Q | 67.6 | Low | 81.8 | Confident | 119 Ų | 119 | 39.6 Ų | 39.6 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -76.1 | -27.9 | 176.1 | -64.9 | 175.7 | -58.5 | 0 | 0 | 112.2 | E867 | E867-Q932 WeakPolarHBondContact OE2-CB 3.46Š|
| 933 | G | 65.1 | Low | 82.3 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | trans | -124.2 | 139.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | T937 | G933-T937 WeakPolarHBondContact O-CB 3.48Å; G933-T937 PolarHBondContact O-OG1 3.39Å | ||
| 934 | I | 66.3 | Low | 82.5 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | trans | -98 | -33.7 | -174.5 | -54.7 | 169 | 0 | 0 | 0 | 112.2 | L787 I826 N828 L837 L839 G936 | L787-I934 HydrophobicContact CD1-CG2 4.07Å; L787-I934 HydrophobicContact CD2-CG2 3.95Å; I826-I934 HydrophobicContact CG2-CG2 3.88Å; N828-I934 HydrophobicContact CB-CG2 4.44Å; L837-I934 HydrophobicContact CB-CD1 4.3Å; L837-I934 HydrophobicContact CD1-CD1 3.65Å; L839-I934 HydrophobicContact CD1-CD1 3.68Å; L839-I934 HydrophobicContact CD1-CG1 4.05Å; I934-G936 PolarHBondContact O-N 2.85Å | ||
| 935 | N | 65.3 | Low | 82.7 | Confident | 112 Ų | 112 | 32.9 Ų | 32.9 | 60% | 0.599 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -88.9 | 107.2 | -161.7 | -159.7 | 15.4 | 0 | 0 | 0 | 112.8 | T937 | N935-T937 VanDerWaalsContact C-N 3.25Å; N935-T937 PolarHBondContact O-N 2.88Å |
| 936 | G | 66.2 | Low | 82.7 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 81.7 | -0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I826 I934 T938 | I826-G936 PolarHBondContact O-N 2.82Å; I934-G936 PolarHBondContact O-N 2.85Å; G936-T938 PolarHBondContact O-N 2.99Å; G936-T938 PolarHBondContact O-OG1 3.1Å; G936-T938 VanDerWaalsContact O-OG1 3.12Å |
| 937 | T | 80 | Confident | 82.6 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -58.6 | 129.8 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | I826 I869 L931 G933 N935 | I826-T937 PolarHBondContact N-O 2.84Å; I869-T937 HydrophobicContact CD1-CG2 3.48Å; I869-T937 VanDerWaalsContact CD1-CG2 3.48Å; L931-T937 HydrophobicContact CD2-CG2 4.33Å; G933-T937 WeakPolarHBondContact O-CB 3.48Å; G933-T937 PolarHBondContact O-OG1 3.39Å; N935-T937 VanDerWaalsContact C-N 3.25Å; N935-T937 PolarHBondContact O-N 2.88Å | ||
| 938 | T | 84.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.9 | -176.6 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | T823 F824 R825 S863 H864 G936 | T823-T938 HydrophobicContact CG2-CG2 3.4Å; F824-T938 CarbonylContact O-C 3.52Å; F824-T938 VanDerWaalsContact O-CA 3.29Å; F824-T938 WeakPolarHBondContact O-CA 3.29Å; R825-T938 HydrophobicContact CB-CG2 4.39Å; S863-T938 CarbonylContact C-O 3.59Å; S863-T938 WeakPolarHBondContact CA-O 3.26Å; H864-T938 PolarHBondContact N-O 3.03Å; H864-T938 PolarHBondContact O-N 3.02Å; G936-T938 PolarHBondContact O-N 2.99Å; G936-T938 PolarHBondContact O-OG1 3.1Å; G936-T938 VanDerWaalsContact O-OG1 3.12Å |
| 939 | V | 88.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.3 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | T823 F824 L841 V861 I869 L941 | T823-V939 WeakPolarHBondContact CA-O 3.37Å; F824-V939 PolarHBondContact N-O 3.47Å; F824-V939 PolarHBondContact O-N 3.44Å; L841-V939 HydrophobicContact CD2-CB 4.41Å; L841-V939 HydrophobicContact CD2-CG2 4.21Å; V861-V939 HydrophobicContact CG1-CG1 3.8Å; I869-V939 HydrophobicContact CD1-CG2 4Å; V939-L941 HydrophobicContact CG1-CD1 4Å |
| 940 | E | 90.1 | Very high | 81.9 | Confident | 42 Ų | 42 | 25.8 Ų | 25.8 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.5 | 179.1 | -172.6 | 176.2 | -160.1 | 0 | 0 | 111 | N821 F822 V861 T862 | N821-E940 HydrophobicContact CB-CG 4.46Å; N821-E940 WeakPolarHBondContact CB-OE1 3.49Å; N821-E940 PolarHBondContact ND2-OE1 2.99Å; F822-E940 CarbonylContact O-C 3.52Å; F822-E940 VanDerWaalsContact O-CA 3.28Å; F822-E940 WeakPolarHBondContact O-CA 3.32Å; V861-E940 CarbonylContact C-O 3.51Å; V861-E940 WeakPolarHBondContact CA-O 3.32Å; T862-E940 PolarHBondContact N-O 3.13Å; T862-E940 PolarHBondContact O-N 3.49Å |
| 941 | L | 91.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.2 | 178.9 | -66 | 81.2 | 0 | 0 | 0 | 108 | N821 F822 F824 I843 W845 L858 V861 L927 V939 | N821-L941 WeakPolarHBondContact CA-O 3.44Å; F822-L941 HydrophobicContact CB-CB 4.4Å; F822-L941 PolarHBondContact N-O 2.87Å; F822-L941 PolarHBondContact O-N 2.7Å; F824-L941 HydrophobicContact CD2-CD1 3.91Å; F824-L941 HydrophobicContact CE2-CD1 4.09Å; I843-L941 HydrophobicContact CD1-CD1 3.71Å; I843-L941 HydrophobicContact CD1-CD2 4.12Å; W845-L941 HydrophobicContact CE3-CD2 3.76Å; W845-L941 HydrophobicContact CH2-CB 4.33Å; W845-L941 HydrophobicContact CH2-CD2 4.41Å; W845-L941 HydrophobicContact CZ3-CB 4.14Å; W845-L941 HydrophobicContact CZ3-CD2 3.64Å; L858-L941 HydrophobicContact CD1-CB 3.94Å; L858-L941 HydrophobicContact CD1-CD2 4.21Å; L858-L941 HydrophobicContact CD1-CG 4.4Å; V861-L941 HydrophobicContact CG1-CG 4.22Å; V861-L941 HydrophobicContact CG2-CG 4.14Å; L927-L941 HydrophobicContact CD1-CD2 3.63Å; V939-L941 HydrophobicContact CG1-CD1 4Å |
| 942 | R | 91.1 | Very high | 81.7 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.1 | 173.1 | -175.1 | -169.9 | 176.6 | 97.1 | -13.7 | 108.8 | E813 L819 V859 K860 E885 | E813-R942 IonicContact OE1-CZ 2.75Å; E813-R942 IonicContact OE1-NE 3.58Å; E813-R942 PolarHBondContact OE1-NE 2.93Å; E813-R942 IonicContact OE1-NH2 4Å; E813-R942 PolarHBondContact OE1-NH2 2.88Å; E813-R942 IonicContact OE2-CZ 2.63Å; E813-R942 IonicContact OE2-NE 3.5Å; E813-R942 PolarHBondContact OE2-NE 2.78Å; E813-R942 IonicContact OE2-NH2 2.86Å; E813-R942 PolarHBondContact OE2-NH2 3.29Å; L819-R942 HydrophobicContact CD1-CG 3.78Å; V859-R942 HydrophobicContact CB-CG 4.42Å; V859-R942 WeakPolarHBondContact CB-O 3.41Å; V859-R942 PolarHBondContact N-O 3.36Å; K860-R942 HydrophobicContact CG-CB 3.92Å; K860-R942 PolarHBondContact N-O 3.34Å; K860-R942 PolarHBondContact O-N 3.36Å; E885-R942 IonicContact OE1-NE 3.48Å |
| 943 | S | 90.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 164 | -176.6 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | I820 W845 Y857 | I820-S943 PolarHBondContact N-O 2.98Å; I820-S943 WeakPolarHBondContact O-CA 3.45Å; I820-S943 PolarHBondContact O-N 3.01Å; I820-S943 VanDerWaalsContact O-O 3.12Å; I820-S943 PolarHBondContact O-OG 3.07Å; W845-S943 VanDerWaalsContact CZ2-CB 3.49Å; Y857-S943 CarbonylContact O-C 3.59Å; Y857-S943 WeakPolarHBondContact O-CA 3.37Å; Y857-S943 VanDerWaalsContact O-CB 3.31Å; Y857-S943 WeakPolarHBondContact O-CB 3.33Å |
| 944 | R | 88.9 | Confident | 83.2 | Confident | 17 Ų | 17 | 26 Ų | 26 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.5 | 175.1 | -67.2 | -78.1 | 176.6 | 142.7 | 11.4 | 110 | E813 E814 A816 G817 S818 Y857 V859 | E813-R944 VanDerWaalsContact CD-CZ 3.49Å; E813-R944 HydrophobicContact CG-CG 3.91Å; E813-R944 VanDerWaalsContact O-CD 3.31Å; E813-R944 WeakPolarHBondContact O-CD 3.35Å; E813-R944 PolarHBondContact O-NE 2.86Å; E813-R944 PolarHBondContact O-NH1 2.81Å; E813-R944 IonicContact OE1-CZ 3.13Å; E813-R944 IonicContact OE1-NE 3.73Å; E813-R944 PolarHBondContact OE1-NE 2.89Å; E813-R944 IonicContact OE1-NH2 2.7Å; E813-R944 PolarHBondContact OE1-NH2 3.31Å; E813-R944 IonicContact OE2-CZ 3.51Å; E813-R944 IonicContact OE2-NE 2.69Å; E813-R944 IonicContact OE2-NH2 3.47Å; E813-R944 PolarHBondContact OE2-NH2 3.29Å; E814-R944 IonicContact OE1-CZ 3.46Å; E814-R944 IonicContact OE1-NH1 3.69Å; E814-R944 IonicContact OE1-NH2 2.78Å; E814-R944 PolarHBondContact OE1-NH2 3.34Å; A816-R944 HydrophobicContact CB-CB 4.06Å; G817-R944 VanDerWaalsContact O-CD 3.23Å; G817-R944 WeakPolarHBondContact O-CD 2.95Å; G817-R944 PolarHBondContact O-NH1 2.65Å; S818-R944 WeakPolarHBondContact O-CA 3.34Å; Y857-R944 PolarHBondContact N-O 2.95Å; Y857-R944 PolarHBondContact O-N 2.9Å; V859-R944 HydrophobicContact CG2-CG 3.89Å |
| 945 | L | 89.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.2 | 167.2 | -170.8 | 73.1 | 0 | 0 | 0 | 109.2 | V798 F800 A816 G817 S818 I820 L856 N947 F950 V990 | V798-L945 HydrophobicContact CG1-CD2 3.77Å; F800-L945 HydrophobicContact CB-CD2 3.92Å; A816-L945 CarbonylContact C-O 3.45Å; G817-L945 VanDerWaalsContact CA-O 3.29Å; G817-L945 WeakPolarHBondContact CA-O 3.45Å; S818-L945 PolarHBondContact O-N 3.05Å; I820-L945 HydrophobicContact CD1-CB 4.08Å; I820-L945 HydrophobicContact CD1-CD1 4.23Å; L856-L945 HydrophobicContact CD2-CD1 4.33Å; L945-N947 PolarHBondContact O-N 3.35Å; L945-N947 VanDerWaalsContact O-N 3.11Å; L945-N947 PolarHBondContact O-OD1 3.2Å; L945-F950 HydrophobicContact CD1-CD2 3.89Å; L945-F950 HydrophobicContact CD1-CE1 4.3Å; L945-F950 HydrophobicContact CD1-CE2 3.38Å; L945-F950 HydrophobicContact CD1-CZ 3.61Å; L945-F950 HydrophobicContact CG-CD2 3.98Å; L945-F950 HydrophobicContact CG-CE2 3.98Å; L945-V990 HydrophobicContact CD1-CG1 4.24Å; L945-V990 HydrophobicContact CD1-CG2 4.13Å; L945-V990 HydrophobicContact CD2-CG1 3.57Å; L945-V990 HydrophobicContact CD2-CG2 4.41Å |
| 946 | W | 88.5 | Confident | 84.2 | Confident | 10 Ų | 10 | 22.1 Ų | 22.1 | 4% | 0.038 | 12% | 0.118 | C | C | . | . | trans | -85.1 | 82.5 | -176.2 | -158.3 | -96.1 | 0 | 0 | 0 | 112.2 | E807 M810 A816 W854 L855 Y857 L880 S948 T949 F950 | E807-W946 HydrophobicContact CB-CZ2 4.4Å; E807-W946 HydrophobicContact CG-CH2 4.36Å; E807-W946 HydrophobicContact CG-CZ2 4.25Å; M810-W946 HydrophobicContact CE-CD2 4.34Å; M810-W946 HydrophobicContact CE-CH2 4.02Å; M810-W946 HydrophobicContact CE-CZ2 3.51Å; M810-W946 HydrophobicContact SD-CH2 3.34Å; M810-W946 WeakPolarHBondContact SD-CH2 3.38Å; M810-W946 HydrophobicContact SD-CZ2 3.47Å; M810-W946 WeakPolarHBondContact SD-CZ2 3.33Å; M810-W946 HydrophobicContact SD-CZ3 3.91Å; A816-W946 HydrophobicContact CB-CE3 3.83Å; A816-W946 HydrophobicContact CB-CZ3 3.82Å; A816-W946 CarbonylContact O-C 3.53Å; A816-W946 WeakPolarHBondContact O-CA 3.4Å; W854-W946 HydrophobicContact CB-CB 3.95Å; W854-W946 HydrophobicContact CB-CD2 3.6Å; W854-W946 HydrophobicContact CB-CE3 4.13Å; W854-W946 HydrophobicContact CB-CG 3.53Å; W854-W946 AromaticContact CD1-CE2 3.87Å; W854-W946 AromaticContact CD1-CZ2 3.81Å; W854-W946 HydrophobicContact CG-CD2 4.09Å; W854-W946 HydrophobicContact CG-CE3 4.37Å; W854-W946 HydrophobicContact CG-CG 4.48Å; W854-W946 HydrophobicContact CG-CZ2 4.27Å; L855-W946 PolarHBondContact O-N 3.03Å; Y857-W946 HydrophobicContact CD2-CZ3 4.39Å; Y857-W946 HydrophobicContact CG-CZ3 4.11Å; L880-W946 HydrophobicContact CD1-CH2 3.54Å; L880-W946 HydrophobicContact CD1-CZ3 4.01Å; W946-S948 VanDerWaalsContact C-N 3.25Å; W946-S948 PolarHBondContact O-N 3.13Å; W946-S948 VanDerWaalsContact O-N 3.09Å; W946-T949 VanDerWaalsContact CD1-OG1 3.24Å; W946-T949 PolarHBondContact O-N 3.14Å; W946-F950 PolarHBondContact O-N 2.92Å | ||
| 947 | N | 86.3 | Confident | 84.8 | Confident | 19 Ų | 19 | 22.1 Ų | 22.1 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.6 | -35.9 | -168.1 | -77.1 | 15.1 | 0 | 0 | 0 | 113.2 | G801 A816 S818 L945 T949 F950 I951 | G801-N947 PolarHBondContact N-ND2 3.16Å; G801-N947 PolarHBondContact O-ND2 3.02Å; A816-N947 PolarHBondContact O-N 3.35Å; S818-N947 PolarHBondContact N-OD1 3.05Å; L945-N947 PolarHBondContact O-N 3.35Å; L945-N947 VanDerWaalsContact O-N 3.11Å; L945-N947 PolarHBondContact O-OD1 3.2Å; N947-T949 PolarHBondContact O-N 2.84Å; N947-F950 PolarHBondContact O-N 2.84Å; N947-I951 VanDerWaalsContact O-CG1 3.24Å; N947-I951 WeakPolarHBondContact O-CG1 3.49Å; N947-I951 PolarHBondContact O-N 3.2Å |
| 948 | S | 84 | Confident | 84.6 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.2 | -48.1 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | R805 W946 I951 E952 | R805-S948 PolarHBondContact N-OG 3.24Å; R805-S948 PolarHBondContact O-OG 3.04Å; W946-S948 VanDerWaalsContact C-N 3.25Å; W946-S948 PolarHBondContact O-N 3.13Å; W946-S948 VanDerWaalsContact O-N 3.09Å; S948-I951 PolarHBondContact O-N 3.49Å; S948-E952 WeakPolarHBondContact O-CG 3.27Å; S948-E952 PolarHBondContact O-N 2.94Å |
| 949 | T | 84.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.7 | -36.8 | -178.2 | -59 | 0 | 0 | 0 | 0 | 110.9 | K853 W854 L855 W946 N947 E952 E953 Y954 | K853-T949 HydrophobicContact CB-CG2 3.84Å; K853-T949 HydrophobicContact CD-CG2 4.19Å; W854-T949 WeakPolarHBondContact O-CB 3.06Å; W854-T949 WeakPolarHBondContact O-CG2 3.05Å; W854-T949 PolarHBondContact O-OG1 3.22Å; L855-T949 HydrophobicContact CD2-CG2 4.29Å; W946-T949 VanDerWaalsContact CD1-OG1 3.24Å; W946-T949 PolarHBondContact O-N 3.14Å; N947-T949 PolarHBondContact O-N 2.84Å; T949-E952 PolarHBondContact O-N 2.93Å; T949-E953 PolarHBondContact O-N 3.49Å; T949-Y954 HydrophobicContact CG2-CE2 4.15Å |
| 950 | F | 85.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -68.2 | -37.4 | 176.4 | -78.1 | -94.3 | 0 | 0 | 0 | 112.6 | F800 L855 L916 L945 W946 N947 Y954 A955 T960 V990 | F800-F950 HydrophobicContact CB-CB 4.08Å; F800-F950 HydrophobicContact CD1-CB 3.92Å; F800-F950 HydrophobicContact CD1-CD1 4.22Å; F800-F950 HydrophobicContact CD1-CG 4.38Å; F800-F950 HydrophobicContact CD2-CB 3.52Å; F800-F950 HydrophobicContact CE1-CB 4.14Å; F800-F950 HydrophobicContact CE1-CD1 4.16Å; F800-F950 HydrophobicContact CE2-CB 3.79Å; F800-F950 WeakPolarHBondContact CE2-O 3.16Å; F800-F950 HydrophobicContact CG-CB 3.57Å; F800-F950 HydrophobicContact CG-CG 4.41Å; F800-F950 HydrophobicContact CZ-CB 4.07Å; L855-F950 HydrophobicContact CB-CE2 4.45Å; L855-F950 HydrophobicContact CD2-CE2 3.81Å; L855-F950 HydrophobicContact CD2-CZ 3.93Å; L916-F950 HydrophobicContact CD1-CE1 4.04Å; L916-F950 HydrophobicContact CD1-CZ 3.92Å; L945-F950 HydrophobicContact CD1-CD2 3.89Å; L945-F950 HydrophobicContact CD1-CE1 4.3Å; L945-F950 HydrophobicContact CD1-CE2 3.38Å; L945-F950 HydrophobicContact CD1-CZ 3.61Å; L945-F950 HydrophobicContact CG-CD2 3.98Å; L945-F950 HydrophobicContact CG-CE2 3.98Å; W946-F950 PolarHBondContact O-N 2.92Å; N947-F950 PolarHBondContact O-N 2.84Å; F950-Y954 AromaticContact CD1-CD2 4Å; F950-Y954 HydrophobicContact CD1-CD2 4Å; F950-Y954 HydrophobicContact CD1-CG 4.2Å; F950-Y954 HydrophobicContact CE1-CD2 4.24Å; F950-Y954 HydrophobicContact CE1-CG 4.49Å; F950-Y954 HydrophobicContact CG-CD2 4.28Å; F950-Y954 CarbonylContact O-C 3.26Å; F950-Y954 WeakPolarHBondContact O-CA 3.26Å; F950-Y954 PolarHBondContact O-N 3.11Å; F950-A955 PolarHBondContact O-N 3.01Å; F950-T960 HydrophobicContact CE1-CG2 4.09Å; F950-V990 HydrophobicContact CD1-CG1 3.7Å; F950-V990 HydrophobicContact CE1-CB 4.3Å; F950-V990 HydrophobicContact CE1-CG1 3.73Å; F950-V990 HydrophobicContact CG-CG1 4.44Å |
| 951 | I | 82.1 | Confident | 84.2 | Confident | 35 Ų | 35 | 24.3 Ų | 24.3 | 18% | 0.179 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -64.8 | -43.2 | 172 | -65.5 | 163.5 | 0 | 0 | 0 | 111.4 | F800 V804 N947 S948 A955 | F800-I951 HydrophobicContact CD2-CG1 4.04Å; F800-I951 HydrophobicContact CE2-CG1 4.5Å; V804-I951 HydrophobicContact CG2-CB 4.07Å; V804-I951 HydrophobicContact CG2-CD1 4.42Å; V804-I951 HydrophobicContact CG2-CG2 3.68Å; N947-I951 VanDerWaalsContact O-CG1 3.24Å; N947-I951 WeakPolarHBondContact O-CG1 3.49Å; N947-I951 PolarHBondContact O-N 3.2Å; S948-I951 PolarHBondContact O-N 3.49Å; I951-A955 WeakPolarHBondContact O-CB 3.33Å |
| 952 | E | 80.3 | Confident | 84.1 | Confident | 106 Ų | 106 | 24.3 Ų | 24.3 | 50% | 0.495 | 13% | 0.126 | S | C | . | . | I | π-helix | trans | -72.9 | -44.8 | -176.7 | -76.6 | -176.6 | 179.3 | 0 | 0 | 114.6 | V804 K853 S948 T949 | V804-E952 HydrophobicContact CG1-CG 4.33Å; V804-E952 WeakPolarHBondContact CG1-OE1 3.3Å; V804-E952 HydrophobicContact CG2-CG 4.35Å; K853-E952 WeakPolarHBondContact CE-OE2 3.42Å; K853-E952 IonicContact NZ-OE2 2.96Å; K853-E952 PolarHBondContact NZ-OE2 2.69Å; S948-E952 WeakPolarHBondContact O-CG 3.27Å; S948-E952 PolarHBondContact O-N 2.94Å; T949-E952 PolarHBondContact O-N 2.93Å |
| 953 | E | 81.4 | Confident | 84 | Confident | 47 Ų | 47 | 22.9 Ų | 22.9 | 22% | 0.22 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -111.4 | -21.2 | -169.1 | -66.7 | -170 | -161.2 | 0 | 0 | 114.3 | N849 N851 K853 T949 | N849-E953 VanDerWaalsContact ND2-CD 3.32Å; N849-E953 PolarHBondContact ND2-OE1 2.93Å; N849-E953 PolarHBondContact ND2-OE2 2.98Å; N851-E953 PolarHBondContact ND2-OE1 2.82Å; N851-E953 PolarHBondContact ND2-OE2 3.19Å; K853-E953 VanDerWaalsContact CD-OE1 3.28Å; K853-E953 WeakPolarHBondContact CD-OE1 3.44Å; K853-E953 WeakPolarHBondContact CE-OE1 3.09Å; K853-E953 IonicContact NZ-OE1 3.49Å; K853-E953 PolarHBondContact NZ-OE1 3.19Å; T949-E953 PolarHBondContact O-N 3.49Å |
| 954 | Y | 82.8 | Confident | 84 | Confident | 15 Ų | 15 | 22.9 Ų | 22.9 | 6% | 0.059 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -120.5 | -4.7 | -168.9 | -58.7 | -71.5 | 0 | 0 | 0 | 115 | L855 K914 L916 T949 F950 S956 F957 T960 | L855-Y954 HydrophobicContact CD2-CE2 3.93Å; K914-Y954 HydrophobicContact CG-CD1 4.24Å; K914-Y954 HydrophobicContact CG-CE1 4.17Å; L916-Y954 HydrophobicContact CD1-CE1 4.26Å; L916-Y954 HydrophobicContact CD1-CE2 4.26Å; L916-Y954 HydrophobicContact CD2-CE1 3.83Å; T949-Y954 HydrophobicContact CG2-CE2 4.15Å; F950-Y954 AromaticContact CD1-CD2 4Å; F950-Y954 HydrophobicContact CD1-CD2 4Å; F950-Y954 HydrophobicContact CD1-CG 4.2Å; F950-Y954 HydrophobicContact CE1-CD2 4.24Å; F950-Y954 HydrophobicContact CE1-CG 4.49Å; F950-Y954 HydrophobicContact CG-CD2 4.28Å; F950-Y954 CarbonylContact O-C 3.26Å; F950-Y954 WeakPolarHBondContact O-CA 3.26Å; F950-Y954 PolarHBondContact O-N 3.11Å; Y954-S956 PolarHBondContact O-N 3.13Å; Y954-S956 VanDerWaalsContact O-N 3.14Å; Y954-F957 HydrophobicContact CD1-CD2 4.15Å; Y954-F957 HydrophobicContact CD1-CE2 4.19Å; Y954-F957 PolarHBondContact O-N 2.86Å; Y954-F957 VanDerWaalsContact O-N 3.09Å; Y954-T960 HydrophobicContact CD1-CG2 4.41Å |
| 955 | A | 78.1 | Confident | 84 | Confident | 11 Ų | 11 | 24.6 Ų | 24.6 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | F800 F950 I951 V996 | F800-A955 HydrophobicContact CE2-CB 4.19Å; F950-A955 PolarHBondContact O-N 3.01Å; I951-A955 WeakPolarHBondContact O-CB 3.33Å; A955-V996 HydrophobicContact CB-CG1 4.04Å |
| 956 | S | 73.9 | Confident | 84.1 | Confident | 34 Ų | 34 | 24.6 Ų | 24.6 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.7 | 173.2 | 54.9 | 0 | 0 | 0 | 0 | 114 | H909 S910 Y954 | H909-S956 CarbonylContact C-O 3.5Å; H909-S956 WeakPolarHBondContact CA-O 3.09Å; S910-S956 PolarHBondContact N-O 3.35Å; Y954-S956 PolarHBondContact O-N 3.13Å; Y954-S956 VanDerWaalsContact O-N 3.14Å |
| 957 | F | 78.1 | Confident | 84.1 | Confident | 33 Ų | 33 | 24.8 Ų | 24.8 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -108.5 | 133.5 | 178.1 | -58.8 | -79.5 | 0 | 0 | 0 | 110.7 | S912 K914 Y954 T959 | S912-F957 WeakPolarHBondContact O-CD1 2.96Å; K914-F957 HydrophobicContact CB-CB 4.4Å; K914-F957 HydrophobicContact CB-CD1 4.01Å; K914-F957 HydrophobicContact CB-CD2 4.12Å; K914-F957 HydrophobicContact CB-CE1 4.29Å; K914-F957 HydrophobicContact CB-CE2 4.42Å; K914-F957 HydrophobicContact CB-CG 3.92Å; K914-F957 HydrophobicContact CB-CZ 4.49Å; K914-F957 HydrophobicContact CD-CE1 4.39Å; K914-F957 HydrophobicContact CD-CZ 4.19Å; K914-F957 HydrophobicContact CG-CD2 4.38Å; K914-F957 HydrophobicContact CG-CE2 4.25Å; K914-F957 HydrophobicContact CG-CZ 4.35Å; Y954-F957 HydrophobicContact CD1-CD2 4.15Å; Y954-F957 HydrophobicContact CD1-CE2 4.19Å; Y954-F957 PolarHBondContact O-N 2.86Å; Y954-F957 VanDerWaalsContact O-N 3.09Å; F957-T959 VanDerWaalsContact C-N 3.34Å; F957-T959 PolarHBondContact O-N 2.85Å |
| 958 | P | 76.8 | Confident | 84.1 | Confident | 49 Ų | 49 | 24.6 Ų | 24.6 | 32% | 0.318 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -65.2 | -37.5 | -178.1 | 24.7 | -33.4 | 0 | 0 | 0 | 112.3 | S910 | S910-P958 WeakPolarHBondContact O-CD 3.49Š|
| 959 | T | 80.7 | Confident | 84.1 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 22% | 0.221 | 15% | 0.147 | C | C | . | . | trans | -140.8 | 144.5 | 164 | 68 | 0 | 0 | 0 | 0 | 111.1 | N913 K914 F957 | N913-T959 WeakPolarHBondContact CA-O 3.37Å; N913-T959 PolarHBondContact ND2-OG1 3.46Å; N913-T959 PolarHBondContact OD1-OG1 2.72Å; K914-T959 PolarHBondContact N-O 2.81Å; F957-T959 VanDerWaalsContact C-N 3.34Å; F957-T959 PolarHBondContact O-N 2.85Å | ||
| 960 | T | 86.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.8 | 170.7 | -64 | 0 | 0 | 0 | 0 | 108.4 | K914 L916 F950 Y954 V990 | K914-T960 HydrophobicContact CB-CG2 4.15Å; K914-T960 HydrophobicContact CG-CG2 4.43Å; K914-T960 CarbonylContact O-C 3.46Å; K914-T960 WeakPolarHBondContact O-CA 3.37Å; L916-T960 HydrophobicContact CD1-CG2 3.6Å; L916-T960 HydrophobicContact CG-CG2 3.73Å; F950-T960 HydrophobicContact CE1-CG2 4.09Å; Y954-T960 HydrophobicContact CD1-CG2 4.41Å; T960-V990 PolarHBondContact N-O 3.48Å; T960-V990 WeakPolarHBondContact O-CA 3.47Å; T960-V990 WeakPolarHBondContact O-CB 3.48Å; T960-V990 PolarHBondContact O-N 2.65Å |
| 961 | T | 87.4 | Confident | 82.9 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 20% | 0.202 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.1 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 110 | K914 V915 L916 V963 T987 | K914-T961 PolarHBondContact O-N 3.29Å; V915-T961 CarbonylContact C-O 3.58Å; V915-T961 WeakPolarHBondContact CA-O 3.48Å; L916-T961 PolarHBondContact N-O 3.48Å; T961-V963 HydrophobicContact CG2-CG2 4.39Å; T961-T987 HydrophobicContact CG2-CG2 4.38Å |
| 962 | L | 88.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.2 | 173.6 | -174.6 | 63.3 | 0 | 0 | 0 | 109.9 | P846 L856 L916 T987 V988 V990 | P846-L962 HydrophobicContact CB-CD1 4.22Å; P846-L962 HydrophobicContact CG-CD1 3.87Å; P846-L962 HydrophobicContact CG-CG 4.42Å; L856-L962 HydrophobicContact CD1-CD2 3.86Å; L856-L962 HydrophobicContact CD2-CD2 3.66Å; L856-L962 HydrophobicContact CG-CD2 3.75Å; L916-L962 HydrophobicContact CB-CD1 3.96Å; L962-T987 CarbonylContact O-C 3.41Å; L962-T987 WeakPolarHBondContact O-CA 3.47Å; L962-V988 PolarHBondContact N-O 2.99Å; L962-V988 PolarHBondContact O-N 3.21Å; L962-V990 HydrophobicContact CB-CG2 4.45Å |
| 963 | V | 89.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.1 | -174.7 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | V915 L916 T961 T987 | V915-V963 HydrophobicContact CG1-CG2 3.76Å; L916-V963 PolarHBondContact O-N 3Å; T961-V963 HydrophobicContact CG2-CG2 4.39Å; V963-T987 HydrophobicContact CG1-CG2 4.27Å; V963-T987 HydrophobicContact CG2-CG2 4.21Å |
| 964 | V | 90.4 | Very high | 79.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.6 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | F822 F824 I843 W845 P846 T985 V986 | F822-V964 HydrophobicContact CD1-CB 4.47Å; F822-V964 HydrophobicContact CD1-CG2 4.15Å; F822-V964 HydrophobicContact CE1-CB 4.24Å; F822-V964 HydrophobicContact CE1-CG2 3.56Å; F822-V964 HydrophobicContact CZ-CG2 3.81Å; F824-V964 HydrophobicContact CZ-CG1 4.03Å; I843-V964 HydrophobicContact CG2-CG1 3.71Å; W845-V964 HydrophobicContact CE3-CG1 4.45Å; P846-V964 HydrophobicContact CG-CG2 4.09Å; V964-T985 WeakPolarHBondContact O-CA 3.12Å; V964-V986 PolarHBondContact N-O 3.19Å; V964-V986 PolarHBondContact O-N 3.24Å |
| 965 | K | 90.4 | Very high | 78.6 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.7 | 179.4 | -175.7 | 177.4 | -178.9 | -175.7 | 0 | 110.5 | H844 D983 T985 | H844-K965 HydrophobicContact CB-CB 4.3Å; H844-K965 PolarHBondContact N-O 2.8Å; K965-D983 VanDerWaalsContact CE-CG 3.49Å; K965-D983 WeakPolarHBondContact CE-OD2 3.19Å; K965-D983 IonicContact NZ-OD2 3.99Å; K965-D983 PolarHBondContact NZ-OD2 3.11Å; K965-T985 HydrophobicContact CB-CG2 4.14Å; K965-T985 HydrophobicContact CG-CG2 3.99Å |
| 966 | A | 90.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L789 F824 L841 H842 I843 F984 | L789-A966 HydrophobicContact CD2-CB 4.03Å; L789-A966 WeakPolarHBondContact CD2-O 3.22Å; F824-A966 HydrophobicContact CD1-CB 3.75Å; F824-A966 HydrophobicContact CE1-CB 3.48Å; F824-A966 VanDerWaalsContact CE1-CB 3.48Å; F824-A966 HydrophobicContact CZ-CB 4.14Å; L841-A966 HydrophobicContact CD1-CB 4.28Å; H842-A966 CarbonylContact O-C 3.58Å; H842-A966 VanDerWaalsContact O-CA 3.23Å; H842-A966 WeakPolarHBondContact O-CA 3.27Å; I843-A966 HydrophobicContact CG1-CB 4.3Å; A966-F984 PolarHBondContact N-O 3.2Å; A966-F984 PolarHBondContact O-N 2.74Å |
| 967 | S | 89.4 | Confident | 78 | Confident | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.2 | 178.6 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | H842 D983 | H842-S967 PolarHBondContact N-O 3.09Å; H842-S967 PolarHBondContact O-N 2.82Å; S967-D983 WeakPolarHBondContact CB-OD1 3.38Å |
| 968 | L | 86.2 | Confident | 77.7 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.2 | 175.2 | -69.3 | 172.3 | 0 | 0 | 0 | 109.5 | L787 L789 I826 L841 L931 L979 | L787-L968 HydrophobicContact CB-CD1 4.37Å; L787-L968 HydrophobicContact CD1-CD1 4.32Å; L789-L968 HydrophobicContact CB-CD1 4.23Å; L789-L968 HydrophobicContact CD2-CG 4.41Å; I826-L968 HydrophobicContact CG1-CD2 4.28Å; I826-L968 HydrophobicContact CG2-CD1 4.3Å; L841-L968 HydrophobicContact CB-CD2 4.21Å; L841-L968 HydrophobicContact CD1-CD2 3.87Å; L931-L968 HydrophobicContact CD1-CD2 3.74Å; L968-L979 HydrophobicContact CB-CD2 4.33Å |
| 969 | V | 82.4 | Confident | 77.4 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.5 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | L839 T840 H842 | L839-V969 WeakPolarHBondContact CA-O 3.41Å; T840-V969 PolarHBondContact N-O 2.78Å; T840-V969 PolarHBondContact O-N 2.75Å; H842-V969 WeakPolarHBondContact ND1-CG2 3.16Å |
| 970 | L | 78 | Confident | 76.9 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.4 | 172.4 | -167.5 | 74.2 | 0 | 0 | 0 | 109 | L837 P838 L839 | L837-L970 HydrophobicContact CB-CD1 4.12Å; L837-L970 HydrophobicContact CD2-CD1 3.97Å; P838-L970 HydrophobicContact CG-CD1 4.24Å; L839-L970 HydrophobicContact CD2-CB 4.28Å; L839-L970 HydrophobicContact CD2-CD1 3.81Å; L839-L970 HydrophobicContact CG-CD1 4.08Å |
| 971 | E | 67.1 | Low | 76.1 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | trans | -83.4 | -19.9 | -177.7 | -68.2 | -169.3 | 168.2 | 0 | 0 | 113.5 | P838 T840 | P838-E971 PolarHBondContact O-N 2.76Å; T840-E971 VanDerWaalsContact CB-OE1 3.31Å; T840-E971 WeakPolarHBondContact CB-OE1 3.47Å; T840-E971 PolarHBondContact OG1-OE1 3.42Å | ||
| 972 | S | 62.4 | Low | 75.3 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -94.4 | 135.5 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 112.6 | T974 | S972-T974 PolarHBondContact O-N 2.66Š|
| 973 | Q | 55.8 | Low | 74.9 | Confident | 196 Ų | 196 | 57.6 Ų | 57.6 | 92% | 0.916 | 31% | 0.312 | S | S | * | . | trans | -80.7 | 55.6 | 176.1 | -64.5 | -173.4 | -3.1 | 0 | 0 | 112.2 | P975 | Q973-P975 VanDerWaalsContact O-CD 3.29Å; Q973-P975 WeakPolarHBondContact O-CD 3.32Å | ||
| 974 | T | 57.3 | Low | 74.7 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | trans | -80.6 | 107.3 | 172 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | S972 N976 I977 | S972-T974 PolarHBondContact O-N 2.66Å; T974-N976 PolarHBondContact O-N 3.48Å; T974-I977 PolarHBondContact O-N 2.74Å | ||
| 975 | P | 60.6 | Low | 74.6 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 79% | 0.792 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.3 | -170.9 | 32.8 | -37.6 | 0 | 0 | 0 | 114.2 | Q973 | Q973-P975 VanDerWaalsContact O-CD 3.29Å; Q973-P975 WeakPolarHBondContact O-CD 3.32Å |
| 976 | N | 68 | Low | 74.6 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.4 | 179.4 | 60.9 | -36.8 | 0 | 0 | 0 | 113.8 | L753 T755 T756 V781 I782 T783 T974 | L753-N976 PolarHBondContact O-ND2 3.29Å; T755-N976 PolarHBondContact O-ND2 3.36Å; T756-N976 HydrophobicContact CG2-CB 4.27Å; V781-N976 WeakPolarHBondContact O-CB 3.43Å; I782-N976 WeakPolarHBondContact CA-O 3.19Å; T783-N976 PolarHBondContact N-O 2.69Å; T974-N976 PolarHBondContact O-N 3.48Å |
| 977 | I | 71.4 | Confident | 74.5 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.4 | -177.5 | -54.4 | -179.6 | 0 | 0 | 0 | 110.3 | L753 V785 L837 T974 | L753-I977 HydrophobicContact CB-CD1 4.1Å; L753-I977 HydrophobicContact CD2-CD1 4.06Å; V785-I977 HydrophobicContact CG2-CG2 3.98Å; L837-I977 HydrophobicContact CD2-CD1 4.32Å; L837-I977 HydrophobicContact CD2-CG2 4.28Å; T974-I977 PolarHBondContact O-N 2.74Å |
| 978 | I | 72.1 | Confident | 74.5 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 35% | 0.349 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.2 | 174.5 | -59 | 178 | 0 | 0 | 0 | 109 | I782 T783 E784 V785 | I782-I978 HydrophobicContact CG2-CD1 3.75Å; I782-I978 HydrophobicContact CG2-CG1 4.16Å; T783-I978 PolarHBondContact O-N 3.45Å; E784-I978 WeakPolarHBondContact CA-O 3.04Å; E784-I978 HydrophobicContact CG-CB 4.41Å; V785-I978 PolarHBondContact N-O 3.29Å |
| 979 | L | 71.6 | Confident | 74.5 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.3 | 176.7 | -167.8 | 71.3 | 0 | 0 | 0 | 110.5 | V785 L787 L839 L968 S981 | V785-L979 HydrophobicContact CB-CD1 4.42Å; V785-L979 HydrophobicContact CG1-CD1 4.48Å; L787-L979 HydrophobicContact CD1-CD1 3.92Å; L787-L979 HydrophobicContact CG-CD1 4.12Å; L839-L979 HydrophobicContact CD2-CD1 4.34Å; L839-L979 HydrophobicContact CD2-CD2 4.03Å; L968-L979 HydrophobicContact CB-CD2 4.33Å; L979-S981 WeakPolarHBondContact CD2-OG 3.39Å |
| 980 | K | 69.9 | Low | 74.7 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 94.2 | 168.8 | -75 | 179.2 | -179.4 | 168.8 | 0 | 109 | E784 V785 L787 | E784-K980 IonicContact OE1-NZ 3.73Å; E784-K980 PolarHBondContact OE1-NZ 2.89Å; E784-K980 IonicContact OE2-NZ 2.98Å; E784-K980 PolarHBondContact OE2-NZ 3.33Å; V785-K980 PolarHBondContact O-N 2.84Å; L787-K980 PolarHBondContact N-O 3.44Å |
| 981 | S | 69.7 | Low | 75 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | trans | -142.3 | 130.8 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | L787 L979 | L787-S981 WeakPolarHBondContact O-CA 3.36Å; L787-S981 VanDerWaalsContact O-CB 3.29Å; L787-S981 WeakPolarHBondContact O-CB 3.47Å; L979-S981 WeakPolarHBondContact CD2-OG 3.39Å | ||
| 982 | P | 69.6 | Low | 75.6 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | trans | -76.5 | 148.1 | 176.3 | 31.7 | -34.5 | 0 | 0 | 0 | 112.2 | ||||
| 983 | D | 80.8 | Confident | 76.3 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | trans | -60.6 | 144.7 | 163.9 | -78.9 | -9.7 | 0 | 0 | 0 | 110.5 | K965 S967 | K965-D983 VanDerWaalsContact CE-CG 3.49Å; K965-D983 WeakPolarHBondContact CE-OD2 3.19Å; K965-D983 IonicContact NZ-OD2 3.99Å; K965-D983 PolarHBondContact NZ-OD2 3.11Å; S967-D983 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 984 | F | 85.6 | Confident | 76.7 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.3 | 178.1 | -163.1 | -85.1 | 0 | 0 | 0 | 111.8 | L789 G791 A966 V986 | L789-F984 HydrophobicContact CD2-CB 3.94Å; L789-F984 HydrophobicContact CG-CB 3.97Å; L789-F984 WeakPolarHBondContact O-CD2 3.39Å; G791-F984 WeakPolarHBondContact O-CE1 3.27Å; G791-F984 WeakPolarHBondContact O-CZ 3.47Å; A966-F984 PolarHBondContact N-O 3.2Å; A966-F984 PolarHBondContact O-N 2.74Å; F984-V986 HydrophobicContact CD1-CG2 4.14Å; F984-V986 HydrophobicContact CE1-CG2 3.91Å |
| 985 | T | 88.4 | Confident | 76.7 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.5 | 178 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | V964 K965 | V964-T985 WeakPolarHBondContact O-CA 3.12Å; K965-T985 HydrophobicContact CB-CG2 4.14Å; K965-T985 HydrophobicContact CG-CG2 3.99Å |
| 986 | V | 89.6 | Confident | 76.6 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.6 | 170.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | A793 F822 F824 V964 F984 | A793-V986 HydrophobicContact CB-CG1 3.77Å; F822-V986 HydrophobicContact CD1-CB 4.38Å; F822-V986 HydrophobicContact CD1-CG1 3.93Å; F822-V986 HydrophobicContact CE1-CG1 4.08Å; F824-V986 HydrophobicContact CE1-CG2 3.72Å; F824-V986 HydrophobicContact CZ-CG2 4.04Å; V964-V986 PolarHBondContact N-O 3.19Å; V964-V986 PolarHBondContact O-N 3.24Å; F984-V986 HydrophobicContact CD1-CG2 4.14Å; F984-V986 HydrophobicContact CE1-CG2 3.91Å |
| 987 | T | 89.1 | Confident | 76 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.4 | 177.4 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | T961 L962 V963 | T961-T987 HydrophobicContact CG2-CG2 4.38Å; L962-T987 CarbonylContact O-C 3.41Å; L962-T987 WeakPolarHBondContact O-CA 3.47Å; V963-T987 HydrophobicContact CG1-CG2 4.27Å; V963-T987 HydrophobicContact CG2-CG2 4.21Å |
| 988 | V | 89.1 | Confident | 75 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 109.9 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | A793 V798 F822 L962 V990 | A793-V988 HydrophobicContact CB-CG2 3.5Å; A793-V988 VanDerWaalsContact CB-CG2 3.5Å; V798-V988 HydrophobicContact CG2-CG1 3.84Å; F822-V988 HydrophobicContact CE1-CG2 3.7Å; F822-V988 HydrophobicContact CZ-CG2 3.97Å; L962-V988 PolarHBondContact N-O 2.99Å; L962-V988 PolarHBondContact O-N 3.21Å; V988-V990 HydrophobicContact CG1-CG2 4.36Å |
| 989 | P | 87.2 | Confident | 73.9 | Confident | 39 Ų | 39 | 62 Ų | 62 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 132.1 | 166.7 | 25.5 | -33.8 | 0 | 0 | 0 | 111.2 | R796 Q797 V798 | R796-P989 WeakPolarHBondContact O-CD 3.44Å; Q797-P989 WeakPolarHBondContact CA-O 3.37Å; Q797-P989 HydrophobicContact CB-CG 4Å; Q797-P989 HydrophobicContact CG-CB 4.36Å; Q797-P989 HydrophobicContact CG-CG 4.07Å; Q797-P989 WeakPolarHBondContact CG-O 3.32Å; V798-P989 PolarHBondContact N-O 3.49Å; V798-P989 VanDerWaalsContact N-O 3.1Å |
| 990 | V | 86.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | V798 F800 L945 F950 T960 L962 V988 | V798-V990 HydrophobicContact CB-CG2 4.46Å; V798-V990 WeakPolarHBondContact O-CA 3.42Å; F800-V990 HydrophobicContact CD1-CG1 3.48Å; F800-V990 VanDerWaalsContact CD1-CG1 3.48Å; F800-V990 HydrophobicContact CE1-CG1 3.93Å; L945-V990 HydrophobicContact CD1-CG1 4.24Å; L945-V990 HydrophobicContact CD1-CG2 4.13Å; L945-V990 HydrophobicContact CD2-CG1 3.57Å; L945-V990 HydrophobicContact CD2-CG2 4.41Å; F950-V990 HydrophobicContact CD1-CG1 3.7Å; F950-V990 HydrophobicContact CE1-CB 4.3Å; F950-V990 HydrophobicContact CE1-CG1 3.73Å; F950-V990 HydrophobicContact CG-CG1 4.44Å; T960-V990 PolarHBondContact N-O 3.48Å; T960-V990 WeakPolarHBondContact O-CA 3.47Å; T960-V990 WeakPolarHBondContact O-CB 3.48Å; T960-V990 PolarHBondContact O-N 2.65Å; L962-V990 HydrophobicContact CB-CG2 4.45Å; V988-V990 HydrophobicContact CG1-CG2 4.36Å |
| 991 | S | 83.6 | Confident | 72.2 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.1 | -172.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | Q797 V798 S799 F800 | Q797-S991 PolarHBondContact NE2-OG 3.3Å; Q797-S991 VanDerWaalsContact NE2-OG 3.15Å; V798-S991 PolarHBondContact O-N 2.89Å; S799-S991 CarbonylContact C-O 3.47Å; S799-S991 WeakPolarHBondContact CA-O 3.41Å; F800-S991 VanDerWaalsContact CD1-C 3.42Å; F800-S991 WeakPolarHBondContact CD1-O 3.41Å; F800-S991 PolarHBondContact N-O 3.33Å |
| 992 | P | 80.3 | Confident | 71.9 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 145.9 | 176.8 | 27.1 | -33.9 | 0 | 0 | 0 | 111.3 | F800 V996 A997 | F800-P992 HydrophobicContact CE1-CB 4.23Å; F800-P992 VanDerWaalsContact CE1-N 3.29Å; F800-P992 HydrophobicContact CE2-CB 3.98Å; F800-P992 HydrophobicContact CZ-CB 3.75Å; F800-P992 HydrophobicContact CZ-CG 4.38Å; P992-V996 HydrophobicContact CB-CB 4.37Å; P992-V996 HydrophobicContact CB-CG1 4.37Å; P992-A997 HydrophobicContact CB-CB 4.47Å; P992-A997 HydrophobicContact CG-CB 4.31Å |
| 993 | D | 77.1 | Confident | 71.5 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | trans | -76.3 | 159.9 | 175.3 | -154.3 | -6.7 | 0 | 0 | 0 | 111.8 | F800 D995 V996 A997 | F800-D993 WeakPolarHBondContact O-CB 3.09Å; F800-D993 PolarHBondContact O-N 3.16Å; D993-D995 PolarHBondContact O-N 2.69Å; D993-D995 VanDerWaalsContact O-N 3.14Å; D993-V996 WeakPolarHBondContact O-CA 3.5Å; D993-V996 WeakPolarHBondContact O-CB 3.2Å; D993-V996 PolarHBondContact O-N 3.44Å; D993-A997 PolarHBondContact O-N 3.29Å | ||
| 994 | S | 63 | Low | 70.9 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 62% | 0.615 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.4 | -168.5 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | V996 | S994-V996 VanDerWaalsContact C-N 3.27Å; S994-V996 PolarHBondContact O-N 3.11Å |
| 995 | D | 58.6 | Low | 70.5 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -19.5 | 177.6 | -71.4 | -3 | 0 | 0 | 0 | 112.7 | D993 | D993-D995 PolarHBondContact O-N 2.69Å; D993-D995 VanDerWaalsContact O-N 3.14Å |
| 996 | V | 58.8 | Low | 69.7 | Low | 43 Ų | 43 | 72 Ų | 72 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -38.5 | 174.7 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | A955 P992 D993 S994 Q998 | A955-V996 HydrophobicContact CB-CG1 4.04Å; P992-V996 HydrophobicContact CB-CB 4.37Å; P992-V996 HydrophobicContact CB-CG1 4.37Å; D993-V996 WeakPolarHBondContact O-CA 3.5Å; D993-V996 WeakPolarHBondContact O-CB 3.2Å; D993-V996 PolarHBondContact O-N 3.44Å; S994-V996 VanDerWaalsContact C-N 3.27Å; S994-V996 PolarHBondContact O-N 3.11Å; V996-Q998 VanDerWaalsContact C-N 3.27Å; V996-Q998 PolarHBondContact O-N 3.21Å |
| 997 | A | 54.2 | Low | 69.2 | Low | 18 Ų | 18 | 75.6 Ų | 75.6 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | trans | -80.4 | 58.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P992 D993 F999 | P992-A997 HydrophobicContact CB-CB 4.47Å; P992-A997 HydrophobicContact CG-CB 4.31Å; D993-A997 PolarHBondContact O-N 3.29Å; A997-F999 HydrophobicContact CB-CE2 4.38Å; A997-F999 VanDerWaalsContact O-CD2 3.25Å; A997-F999 WeakPolarHBondContact O-CD2 3.3Å; A997-F999 PolarHBondContact O-N 3.24Å | ||
| 998 | Q | 51 | Low | 68.9 | Low | 95 Ų | 95 | 76.6 Ų | 76.6 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | trans | -74 | 96.5 | 177.6 | -69 | -159 | -19.1 | 0 | 0 | 112.7 | V996 G1000 | V996-Q998 VanDerWaalsContact C-N 3.27Å; V996-Q998 PolarHBondContact O-N 3.21Å; Q998-G1000 PolarHBondContact O-N 3.05Å; Q998-G1000 VanDerWaalsContact O-N 3.11Å | ||
| 999 | F | 49 | Very low | 68.5 | Low | 170 Ų | 170 | 79.6 Ų | 79.6 | 75% | 0.746 | 43% | 0.43 | S | S | * | . | trans | -66.4 | 101.3 | 171.7 | -71.5 | -89.5 | 0 | 0 | 0 | 111.8 | A997 V1001 | A997-F999 HydrophobicContact CB-CE2 4.38Å; A997-F999 VanDerWaalsContact O-CD2 3.25Å; A997-F999 WeakPolarHBondContact O-CD2 3.3Å; A997-F999 PolarHBondContact O-N 3.24Å; F999-V1001 PolarHBondContact O-N 2.76Å | ||
| 1000 | G | 49.9 | Very low | 68.4 | Low | 55 Ų | 55 | 81.3 Ų | 81.3 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | trans | -73.4 | 103.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q998 | Q998-G1000 PolarHBondContact O-N 3.05Å; Q998-G1000 VanDerWaalsContact O-N 3.11Å | ||
| 1001 | V | 55.8 | Low | 68.3 | Low | 91 Ų | 91 | 86.6 Ų | 86.6 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | trans | -71.7 | 128.5 | 173.2 | -178 | 0 | 0 | 0 | 0 | 109.9 | F999 I1005 | F999-V1001 PolarHBondContact O-N 2.76Å; V1001-I1005 HydrophobicContact CG1-CB 3.93Å; V1001-I1005 HydrophobicContact CG1-CD1 3.81Å; V1001-I1005 HydrophobicContact CG1-CG1 4.41Å; V1001-I1005 HydrophobicContact CG1-CG2 3.98Å | ||
| 1002 | P | 62.8 | Low | 68.3 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 41% | 0.409 | 48% | 0.481 | S | S | . | . | trans | -57.2 | 141.1 | -179.2 | -29.7 | 36.6 | 0 | 0 | 0 | 115 | W1004 I1005 | P1002-W1004 HydrophobicContact CB-CG 4.37Å; P1002-W1004 VanDerWaalsContact CB-NE1 3.28Å; P1002-W1004 PolarHBondContact O-N 2.93Å; P1002-I1005 WeakPolarHBondContact O-CB 3.21Å; P1002-I1005 PolarHBondContact O-N 2.93Å | ||
| 1003 | W | 62.6 | Low | 68.6 | Low | 192 Ų | 192 | 89 Ų | 89 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.2 | -27.4 | -173.6 | 79.7 | -80.3 | 0 | 0 | 0 | 115 | I1005 I1006 L1007 | W1003-I1005 VanDerWaalsContact C-N 3.27Å; W1003-I1005 PolarHBondContact O-N 3.47Å; W1003-I1006 WeakPolarHBondContact O-CB 3.47Å; W1003-I1006 PolarHBondContact O-N 3.32Å; W1003-I1006 VanDerWaalsContact O-N 3.12Å; W1003-L1007 HydrophobicContact CZ3-CD1 4.46Å; W1003-L1007 HydrophobicContact CZ3-CD2 4.27Å; W1003-L1007 PolarHBondContact O-N 3.46Å |
| 1004 | W | 68.1 | Low | 69.1 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -25.7 | 178 | 59 | -94.6 | 0 | 0 | 0 | 113.1 | P1002 L1007 I1008 | P1002-W1004 HydrophobicContact CB-CG 4.37Å; P1002-W1004 VanDerWaalsContact CB-NE1 3.28Å; P1002-W1004 PolarHBondContact O-N 2.93Å; W1004-L1007 WeakPolarHBondContact O-CB 3.39Å; W1004-L1007 PolarHBondContact O-N 3.46Å; W1004-I1008 HydrophobicContact CE3-CD1 3.98Å; W1004-I1008 HydrophobicContact CZ3-CD1 4.33Å; W1004-I1008 WeakPolarHBondContact O-CG1 3.31Å; W1004-I1008 PolarHBondContact O-N 2.72Å; W1004-I1008 VanDerWaalsContact O-N 3.12Å |
| 1005 | I | 75.4 | Confident | 70.1 | Confident | 73 Ų | 73 | 92.4 Ų | 92.4 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.4 | -36.1 | 172.4 | -62.5 | 175.1 | 0 | 0 | 0 | 110.2 | V1001 P1002 W1003 I1008 A1009 | V1001-I1005 HydrophobicContact CG1-CB 3.93Å; V1001-I1005 HydrophobicContact CG1-CD1 3.81Å; V1001-I1005 HydrophobicContact CG1-CG1 4.41Å; V1001-I1005 HydrophobicContact CG1-CG2 3.98Å; P1002-I1005 WeakPolarHBondContact O-CB 3.21Å; P1002-I1005 PolarHBondContact O-N 2.93Å; W1003-I1005 VanDerWaalsContact C-N 3.27Å; W1003-I1005 PolarHBondContact O-N 3.47Å; I1005-I1008 PolarHBondContact O-N 2.7Å; I1005-A1009 WeakPolarHBondContact O-CB 3.48Å; I1005-A1009 PolarHBondContact O-N 2.79Å |
| 1006 | I | 72.2 | Confident | 71.5 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 172.8 | -53.4 | 177.2 | 0 | 0 | 0 | 110.1 | W1003 I1008 A1009 V1010 | W1003-I1006 WeakPolarHBondContact O-CB 3.47Å; W1003-I1006 PolarHBondContact O-N 3.32Å; W1003-I1006 VanDerWaalsContact O-N 3.12Å; I1006-I1008 PolarHBondContact O-N 3.46Å; I1006-A1009 PolarHBondContact O-N 3.1Å; I1006-V1010 HydrophobicContact CG2-CG2 4.37Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.43Å; I1006-V1010 PolarHBondContact O-N 2.92Å |
| 1007 | L | 79.1 | Confident | 72.9 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 175.7 | -171.2 | 73.4 | 0 | 0 | 0 | 112.1 | W1003 W1004 V1010 L1011 | W1003-L1007 HydrophobicContact CZ3-CD1 4.46Å; W1003-L1007 HydrophobicContact CZ3-CD2 4.27Å; W1003-L1007 PolarHBondContact O-N 3.46Å; W1004-L1007 WeakPolarHBondContact O-CB 3.39Å; W1004-L1007 PolarHBondContact O-N 3.46Å; L1007-V1010 PolarHBondContact O-N 2.72Å; L1007-L1011 HydrophobicContact CG-CD1 4.5Å; L1007-L1011 WeakPolarHBondContact O-CG 3.02Å; L1007-L1011 PolarHBondContact O-N 3.03Å |
| 1008 | I | 83.3 | Confident | 74.3 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.3 | -67.9 | 165.7 | 0 | 0 | 0 | 111 | W1004 I1005 I1006 V1010 L1011 A1012 | W1004-I1008 HydrophobicContact CE3-CD1 3.98Å; W1004-I1008 HydrophobicContact CZ3-CD1 4.33Å; W1004-I1008 WeakPolarHBondContact O-CG1 3.31Å; W1004-I1008 PolarHBondContact O-N 2.72Å; W1004-I1008 VanDerWaalsContact O-N 3.12Å; I1005-I1008 PolarHBondContact O-N 2.7Å; I1006-I1008 PolarHBondContact O-N 3.46Å; I1008-V1010 VanDerWaalsContact C-N 3.34Å; I1008-V1010 PolarHBondContact O-N 3.24Å; I1008-L1011 PolarHBondContact O-N 3.44Å; I1008-A1012 PolarHBondContact O-N 3.06Å |
| 1009 | A | 81 | Confident | 75.8 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1005 I1006 G1013 | I1005-A1009 WeakPolarHBondContact O-CB 3.48Å; I1005-A1009 PolarHBondContact O-N 2.79Å; I1006-A1009 PolarHBondContact O-N 3.1Å; A1009-G1013 PolarHBondContact O-N 3.35Å |
| 1010 | V | 84 | Confident | 77.4 | Confident | 76 Ų | 76 | 93.9 Ų | 93.9 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | I1006 L1007 I1008 G1013 I1014 | I1006-V1010 HydrophobicContact CG2-CG2 4.37Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.43Å; I1006-V1010 PolarHBondContact O-N 2.92Å; L1007-V1010 PolarHBondContact O-N 2.72Å; I1008-V1010 VanDerWaalsContact C-N 3.34Å; I1008-V1010 PolarHBondContact O-N 3.24Å; V1010-G1013 PolarHBondContact O-N 3.35Å; V1010-I1014 HydrophobicContact CG1-CD1 3.76Å; V1010-I1014 HydrophobicContact CG1-CG1 4.41Å; V1010-I1014 VanDerWaalsContact O-CG1 3.3Å; V1010-I1014 WeakPolarHBondContact O-CG1 3.33Å; V1010-I1014 PolarHBondContact O-N 3.08Å |
| 1011 | L | 84.6 | Confident | 79 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 176.2 | -74.8 | 166.1 | 0 | 0 | 0 | 112.1 | L1007 I1008 I1014 L1015 | L1007-L1011 HydrophobicContact CG-CD1 4.5Å; L1007-L1011 WeakPolarHBondContact O-CG 3.02Å; L1007-L1011 PolarHBondContact O-N 3.03Å; I1008-L1011 PolarHBondContact O-N 3.44Å; L1011-I1014 PolarHBondContact O-N 2.73Å; L1011-L1015 PolarHBondContact O-N 2.71Å; L1011-L1015 VanDerWaalsContact O-N 3.14Å |
| 1012 | A | 84.1 | Confident | 80 | Confident | 51 Ų | 51 | 97.9 Ų | 97.9 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1008 L1015 I1016 | I1008-A1012 PolarHBondContact O-N 3.06Å; A1012-L1015 WeakPolarHBondContact O-CB 3.31Å; A1012-L1015 PolarHBondContact O-N 2.76Å; A1012-I1016 WeakPolarHBondContact O-CG1 3.38Å; A1012-I1016 PolarHBondContact O-N 2.85Å; A1012-I1016 VanDerWaalsContact O-N 3.14Å |
| 1013 | G | 86.4 | Confident | 80.8 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1009 V1010 I1016 L1017 | A1009-G1013 PolarHBondContact O-N 3.35Å; V1010-G1013 PolarHBondContact O-N 3.35Å; G1013-I1016 PolarHBondContact O-N 2.96Å; G1013-L1017 VanDerWaalsContact O-CB 3.3Å; G1013-L1017 WeakPolarHBondContact O-CB 3.47Å; G1013-L1017 PolarHBondContact O-N 2.73Å |
| 1014 | I | 87.3 | Confident | 81.6 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 175.6 | -70.8 | 166.3 | 0 | 0 | 0 | 111.1 | V1010 L1011 I1016 L1017 A1018 | V1010-I1014 HydrophobicContact CG1-CD1 3.76Å; V1010-I1014 HydrophobicContact CG1-CG1 4.41Å; V1010-I1014 VanDerWaalsContact O-CG1 3.3Å; V1010-I1014 WeakPolarHBondContact O-CG1 3.33Å; V1010-I1014 PolarHBondContact O-N 3.08Å; L1011-I1014 PolarHBondContact O-N 2.73Å; I1014-I1016 VanDerWaalsContact C-N 3.35Å; I1014-I1016 PolarHBondContact O-N 2.94Å; I1014-L1017 PolarHBondContact O-N 2.84Å; I1014-A1018 WeakPolarHBondContact O-CB 3.34Å; I1014-A1018 PolarHBondContact O-N 3.22Å |
| 1015 | L | 85.1 | Confident | 82.1 | Confident | 134 Ų | 134 | 98.2 Ų | 98.2 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 176 | -163.1 | 89.8 | 0 | 0 | 0 | 111.6 | L1011 A1012 L1019 | L1011-L1015 PolarHBondContact O-N 2.71Å; L1011-L1015 VanDerWaalsContact O-N 3.14Å; A1012-L1015 WeakPolarHBondContact O-CB 3.31Å; A1012-L1015 PolarHBondContact O-N 2.76Å; L1015-L1019 PolarHBondContact O-N 2.93Å |
| 1016 | I | 88 | Confident | 81.9 | Confident | 112 Ų | 112 | 103 Ų | 103 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 177.2 | -65.2 | 167.7 | 0 | 0 | 0 | 111 | A1012 G1013 I1014 L1019 M1020 | A1012-I1016 WeakPolarHBondContact O-CG1 3.38Å; A1012-I1016 PolarHBondContact O-N 2.85Å; A1012-I1016 VanDerWaalsContact O-N 3.14Å; G1013-I1016 PolarHBondContact O-N 2.96Å; I1014-I1016 VanDerWaalsContact C-N 3.35Å; I1014-I1016 PolarHBondContact O-N 2.94Å; I1016-L1019 PolarHBondContact O-N 3.02Å; I1016-M1020 PolarHBondContact O-N 2.95Å |
| 1017 | L | 86.9 | Confident | 81.8 | Confident | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -41.6 | 179 | -174 | 68.4 | 0 | 0 | 0 | 111.8 | G1013 I1014 L1019 M1020 V1021 | G1013-L1017 VanDerWaalsContact O-CB 3.3Å; G1013-L1017 WeakPolarHBondContact O-CB 3.47Å; G1013-L1017 PolarHBondContact O-N 2.73Å; I1014-L1017 PolarHBondContact O-N 2.84Å; L1017-L1019 VanDerWaalsContact C-N 3.31Å; L1017-L1019 PolarHBondContact O-N 2.87Å; L1017-M1020 PolarHBondContact O-N 2.67Å; L1017-V1021 HydrophobicContact CD1-CG2 4.49Å; L1017-V1021 HydrophobicContact CG-CG2 4.4Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.48Å; L1017-V1021 PolarHBondContact O-N 2.79Å |
| 1018 | A | 84 | Confident | 81 | Confident | 60 Ų | 60 | 102.1 Ų | 102.1 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1014 V1021 F1022 | I1014-A1018 WeakPolarHBondContact O-CB 3.34Å; I1014-A1018 PolarHBondContact O-N 3.22Å; A1018-V1021 PolarHBondContact O-N 2.68Å; A1018-F1022 WeakPolarHBondContact O-CB 3.49Å; A1018-F1022 PolarHBondContact O-N 3.38Å |
| 1019 | L | 81.5 | Confident | 80.2 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 175.5 | -169.4 | 142.7 | 0 | 0 | 0 | 111.9 | L1015 I1016 L1017 L1023 | L1015-L1019 PolarHBondContact O-N 2.93Å; I1016-L1019 PolarHBondContact O-N 3.02Å; L1017-L1019 VanDerWaalsContact C-N 3.31Å; L1017-L1019 PolarHBondContact O-N 2.87Å; L1019-L1023 HydrophobicContact CD2-CD1 3.89Å; L1019-L1023 WeakPolarHBondContact O-CG 3.49Å; L1019-L1023 PolarHBondContact O-N 2.92Å; L1019-L1023 VanDerWaalsContact O-N 3.17Å |
| 1020 | M | 84.2 | Confident | 79.5 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -41.3 | 172.2 | -93.4 | -161.1 | 69.6 | 0 | 0 | 113.7 | I1016 L1017 L1023 L1024 | I1016-M1020 PolarHBondContact O-N 2.95Å; L1017-M1020 PolarHBondContact O-N 2.67Å; M1020-L1023 PolarHBondContact O-N 2.9Å; M1020-L1024 HydrophobicContact CE-CD1 3.8Å; M1020-L1024 WeakPolarHBondContact O-CB 3.43Å; M1020-L1024 WeakPolarHBondContact O-CG 3.46Å; M1020-L1024 PolarHBondContact O-N 2.93Å |
| 1021 | V | 83.1 | Confident | 77.5 | Confident | 85 Ų | 85 | 117 Ų | 117 | 52% | 0.515 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.3 | -37.7 | 179.3 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L1017 A1018 L1023 L1024 W1025 | L1017-V1021 HydrophobicContact CD1-CG2 4.49Å; L1017-V1021 HydrophobicContact CG-CG2 4.4Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.48Å; L1017-V1021 PolarHBondContact O-N 2.79Å; A1018-V1021 PolarHBondContact O-N 2.68Å; V1021-L1023 VanDerWaalsContact C-N 3.34Å; V1021-L1023 PolarHBondContact O-N 2.71Å; V1021-L1024 PolarHBondContact O-N 3.12Å; V1021-W1025 VanDerWaalsContact O-CB 3.3Å; V1021-W1025 WeakPolarHBondContact O-CB 3.46Å; V1021-W1025 PolarHBondContact O-N 2.9Å |
| 1022 | F | 76.6 | Confident | 75.5 | Confident | 146 Ų | 146 | 123.3 Ų | 123.3 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59 | -43.9 | 171.4 | -178.6 | -101.9 | 0 | 0 | 0 | 111.9 | A1018 K1026 | A1018-F1022 WeakPolarHBondContact O-CB 3.49Å; A1018-F1022 PolarHBondContact O-N 3.38Å; F1022-K1026 PolarHBondContact O-N 3.48Å |
| 1023 | L | 79.4 | Confident | 74 | Confident | 98 Ų | 98 | 126 Ų | 126 | 51% | 0.513 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66 | -43.6 | 174.7 | -71.4 | 168 | 0 | 0 | 0 | 112.9 | L1019 M1020 V1021 K1026 C1027 | L1019-L1023 HydrophobicContact CD2-CD1 3.89Å; L1019-L1023 WeakPolarHBondContact O-CG 3.49Å; L1019-L1023 PolarHBondContact O-N 2.92Å; L1019-L1023 VanDerWaalsContact O-N 3.17Å; M1020-L1023 PolarHBondContact O-N 2.9Å; V1021-L1023 VanDerWaalsContact C-N 3.34Å; V1021-L1023 PolarHBondContact O-N 2.71Å; L1023-K1026 WeakPolarHBondContact O-CB 3.32Å; L1023-K1026 PolarHBondContact O-N 3.17Å; L1023-C1027 PolarHBondContact O-SG 2.9Å |
| 1024 | L | 80.3 | Confident | 72.2 | Confident | 98 Ų | 98 | 130.8 Ų | 130.8 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -78.4 | -29 | -175.9 | -72.7 | 174.5 | 0 | 0 | 0 | 113.8 | M1020 V1021 K1026 C1027 G1028 | M1020-L1024 HydrophobicContact CE-CD1 3.8Å; M1020-L1024 WeakPolarHBondContact O-CB 3.43Å; M1020-L1024 WeakPolarHBondContact O-CG 3.46Å; M1020-L1024 PolarHBondContact O-N 2.93Å; V1021-L1024 PolarHBondContact O-N 3.12Å; L1024-K1026 PolarHBondContact O-N 2.72Å; L1024-C1027 CarbonylContact O-C 3.6Å; L1024-C1027 WeakPolarHBondContact O-CA 3.5Å; L1024-C1027 WeakPolarHBondContact O-CB 3.32Å; L1024-C1027 PolarHBondContact O-N 2.8Å; L1024-G1028 PolarHBondContact O-N 2.69Å; L1024-G1028 VanDerWaalsContact O-N 3.1Å |
| 1025 | W | 77.6 | Confident | 70.5 | Confident | 212 Ų | 212 | 137 Ų | 137 | 80% | 0.803 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.3 | -34.4 | 169.6 | 177.9 | 61.5 | 0 | 0 | 0 | 111.2 | V1021 C1027 | V1021-W1025 VanDerWaalsContact O-CB 3.3Å; V1021-W1025 WeakPolarHBondContact O-CB 3.46Å; V1021-W1025 PolarHBondContact O-N 2.9Å; W1025-C1027 PolarHBondContact O-N 2.65Å |
| 1026 | K | 71.4 | Confident | 68.9 | Low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.757 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -5.9 | 167.3 | -116.5 | -78 | -172.8 | 173.5 | 0 | 114.2 | F1022 L1023 L1024 | F1022-K1026 PolarHBondContact O-N 3.48Å; L1023-K1026 WeakPolarHBondContact O-CB 3.32Å; L1023-K1026 PolarHBondContact O-N 3.17Å; L1024-K1026 PolarHBondContact O-N 2.72Å |
| 1027 | C | 70 | Confident | 67.4 | Low | 102 Ų | 102 | 143.2 Ų | 143.2 | 69% | 0.689 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -13.2 | -176.9 | -61 | 0 | 0 | 0 | 0 | 116.1 | L1023 L1024 W1025 | L1023-C1027 PolarHBondContact O-SG 2.9Å; L1024-C1027 CarbonylContact O-C 3.6Å; L1024-C1027 WeakPolarHBondContact O-CA 3.5Å; L1024-C1027 WeakPolarHBondContact O-CB 3.32Å; L1024-C1027 PolarHBondContact O-N 2.8Å; W1025-C1027 PolarHBondContact O-N 2.65Å |
| 1028 | G | 62.3 | Low | 66 | Low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | trans | 72.9 | 93.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1024 | L1024-G1028 PolarHBondContact O-N 2.69Å; L1024-G1028 VanDerWaalsContact O-N 3.1Å | ||
| 1029 | F | 66.6 | Low | 64.2 | Low | 169 Ų | 169 | 153 Ų | 153 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -133.4 | 156.7 | -172.1 | -163.8 | -149.6 | 0 | 0 | 0 | 113.3 | ||||
| 1030 | F | 66.9 | Low | 62.8 | Low | 173 Ų | 173 | 152.3 Ų | 152.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 83.9 | 118.2 | 169.8 | -51.4 | -68.7 | 0 | 0 | 0 | 122.8 | ||||
| 1031 | K | 42.2 | Very low | 61.4 | Low | 210 Ų | 210 | 152.1 Ų | 152.1 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -163.7 | 140.5 | 159.3 | -60.7 | -174.1 | -178.5 | 176.7 | 0 | 110.9 | ||||
| 1032 | R | 42.7 | Very low | 59.7 | Low | 244 Ų | 244 | 159.4 Ų | 159.4 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | 179.2 | 162.5 | 166 | -116.5 | 179.6 | -164.3 | -169.5 | 4 | 120.8 | ||||
| 1033 | P | 50.8 | Low | 58.1 | Low | 107 Ų | 107 | 161.4 Ų | 161.4 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -121.7 | -161.7 | 148.8 | 34 | -14.5 | 0 | 0 | 0 | 111.8 | ||||
| 1034 | T | 50 | Low | 56.5 | Low | 138 Ų | 138 | 166.1 Ų | 166.1 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | cis | -155.8 | -166 | 8.8 | -23.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1035 | R | 51.3 | Low | 54.7 | Low | 228 Ų | 228 | 165.6 Ų | 165.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -160.4 | 140.1 | -170.1 | 168.2 | -175.6 | 172.8 | 173.6 | -1.8 | 114.9 | ||||
| 1036 | E | 51.1 | Low | 52.8 | Low | 181 Ų | 181 | 165 Ų | 165 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 172.1 | -1.9 | 139.6 | -101.8 | -179.9 | -173.2 | 0 | 0 | 121.5 | Y1038 | E1036-Y1038 VanDerWaalsContact C-N 3.35Å; E1036-Y1038 PolarHBondContact O-N 3.07Å | ||
| 1037 | Q | 56.6 | Low | 51.1 | Low | 196 Ų | 196 | 163 Ų | 163 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 5.6 | -168.5 | -90.1 | 178.4 | -37.2 | 0 | 0 | 122.3 | ||||
| 1038 | Y | 56.7 | Low | 49.5 | Very low | 206 Ų | 206 | 166.4 Ų | 166.4 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | -102.1 | -13.6 | -129.7 | -121.8 | -95.4 | 0 | 0 | 0 | 123.3 | E1036 | E1036-Y1038 VanDerWaalsContact C-N 3.35Å; E1036-Y1038 PolarHBondContact O-N 3.07Å | |||
| 1039 | N | 48 | Very low | 48.4 | Very low | 168 Ų | 168 | 169.7 Ų | 169.7 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -97.6 | 7.1 | -153.2 | -79.4 | 9 | 0 | 0 | 0 | 120.1 | ||||
| 1040 | A | 50.7 | Low | 46.9 | Very low | 98 Ų | 98 | 170 Ų | 170 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -91.2 | -19.5 | -156.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1041 | A | 56.3 | Low | 46.1 | Very low | 96 Ų | 96 | 166.4 Ų | 166.4 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -102.9 | 3.2 | -144.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | H1043 | A1041-H1043 VanDerWaalsContact C-N 3.25Å; A1041-H1043 PolarHBondContact O-N 2.85Å; A1041-H1043 VanDerWaalsContact O-N 3.07Å | ||
| 1042 | Y | 46.1 | Very low | 46 | Very low | 237 Ų | 237 | 161.3 Ų | 161.3 | 93% | 0.929 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -76.7 | 7.5 | -167.7 | -149.1 | -96.8 | 0 | 0 | 0 | 116.3 | ||
| 1043 | H | 43.5 | Very low | 45.7 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -112 | 22.7 | -159.9 | -102.1 | -62 | 0 | 0 | 0 | 116.6 | A1041 | A1041-H1043 VanDerWaalsContact C-N 3.25Å; A1041-H1043 PolarHBondContact O-N 2.85Å; A1041-H1043 VanDerWaalsContact O-N 3.07Å | ||
| 1044 | K | 46.5 | Very low | 45 | Very low | 196 Ų | 196 | 158.2 Ų | 158.2 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | -138.8 | 122.6 | -169.2 | -147.8 | 172.7 | -173.2 | 178.6 | 0 | 117 | ||||
| 1045 | A | 42.5 | Very low | 44.4 | Very low | 88 Ų | 88 | 158.5 Ų | 158.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 75.8 | 102.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1046 | E | 36.7 | Very low | 43.6 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -124.4 | 129.5 | 141.8 | 177.2 | 175.4 | -140.9 | 0 | 0 | 106.8 | ||||
| 1047 | I | 36.8 | Very low | 42.9 | Very low | 132 Ų | 132 | 156 Ų | 156 | 68% | 0.677 | 80% | 0.801 | S | S | * | * | trans | -150.6 | 135.2 | -166.7 | -75.1 | -171.1 | 0 | 0 | 0 | 113.2 | ||||
| 1048 | H | 35.9 | Very low | 41.9 | Very low | 175 Ų | 175 | 152 Ų | 152 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 89.6 | 119 | 151.8 | -79.1 | -21.9 | 0 | 0 | 0 | 125.7 | ||||
| 1049 | V | 37.8 | Very low | 41.1 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 114.9 | 157.1 | 119.4 | 163.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1050 | Q | 36.6 | Very low | 40.7 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -143.1 | -169.2 | -151.8 | -117.2 | -171.7 | -3.3 | 0 | 0 | 110 | ||||
| 1051 | P | 48.8 | Very low | 40.2 | Very low | 98 Ų | 98 | 154.2 Ų | 154.2 | 64% | 0.636 | 83% | 0.826 | S | S | * | * | cis | -140.1 | -171.6 | -32.2 | 39.2 | -20 | 0 | 0 | 0 | 115.7 | ||||
| 1052 | S | 39.9 | Very low | 39.4 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | 72.3 | 161.4 | 148.9 | -79.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1053 | D | 37.5 | Very low | 39 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 60% | 0.599 | 82% | 0.822 | S | S | * | * | cis | -162.1 | 148.4 | -8.8 | -123.1 | 42.3 | 0 | 0 | 0 | 115.2 | ||||
| 1054 | K | 35.9 | Very low | 38.7 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | trans | 68.8 | 160.8 | 142.7 | -78.5 | -177.9 | -176.2 | 67.2 | 0 | 126.9 | ||||
| 1055 | D | 36.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -121.6 | 174.7 | -155.3 | -25.9 | -108.3 | 0 | 0 | 0 | 116.2 | ||||
| 1056 | K | 35.2 | Very low | 38 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -165.7 | 164.6 | 136.4 | -115 | 174.8 | -176.7 | -176.3 | 0 | 117.2 | ||||
| 1057 | L | 36 | Very low | 38.1 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -83.6 | -175.7 | -175.5 | -70.6 | 75.9 | 0 | 0 | 0 | 112 | ||||
| 1058 | S | 35.6 | Very low | 38.2 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | cis | -161.5 | 179.7 | 26.6 | 62.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1059 | D | 41.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | -88.9 | -169.8 | -173.4 | -47.5 | -96.3 | 0 | 0 | 0 | 116.1 | ||||
| 1060 | E | 39.4 | Very low | 38.4 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | 73.5 | 105.1 | 160.4 | -65.7 | -173.4 | 166.6 | 0 | 0 | 121.1 | ||||
| 1061 | A | 38.8 | Very low | 38.6 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 100% | 1.504 | 83% | 0.829 | S | S | * | * | -165.6 | 0 | 125.8 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 1,061 of 1,061 residues in 679.2 ms
(Link to these results)