| 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 | 54.9 | Low | 72.8 | Confident | 240 Ų | 240 | 123.2 Ų | 123.2 | 100% | 1.182 | 64% | 0.64 | S | S | * | * | 0 | 124.2 | 0 | -67.4 | 169.1 | 169.2 | 0 | 0 | 107.5 | P3 | M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.04Å | |||
| 2 | K | 62.8 | Low | 73.5 | Confident | 175 Ų | 175 | 121 Ų | 121 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | trans | -88.8 | 105.7 | -172.4 | -62.5 | 174.7 | -176.6 | -179.7 | 0 | 108.7 | V4 L5 | K2-V4 PolarHBondContact O-N 3.41Å; K2-L5 PolarHBondContact O-N 3.29Å | ||
| 3 | P | 62.9 | Low | 73.9 | Confident | 100 Ų | 100 | 121.7 Ų | 121.7 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -4.8 | -178.2 | 30.7 | -36.4 | 0 | 0 | 0 | 113 | M1 L5 P6 | M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.04Å; P3-L5 VanDerWaalsContact C-N 3.34Å; P3-P6 VanDerWaalsContact O-CD 3.26Å; P3-P6 WeakPolarHBondContact O-CD 3.42Å; P3-P6 VanDerWaalsContact O-CG 3.28Å; P3-P6 WeakPolarHBondContact O-CG 3.33Å |
| 4 | V | 66.7 | Low | 73.9 | Confident | 83 Ų | 83 | 117.4 Ų | 117.4 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.4 | -33.9 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | K2 L7 Q8 | K2-V4 PolarHBondContact O-N 3.41Å; V4-L7 PolarHBondContact O-N 3.29Å; V4-Q8 HydrophobicContact CG1-CG 4.24Å; V4-Q8 VanDerWaalsContact CG1-NE2 3.31Å; V4-Q8 WeakPolarHBondContact O-CG 3.44Å; V4-Q8 PolarHBondContact O-N 3.03Å |
| 5 | L | 72.8 | Confident | 73.8 | Confident | 104 Ų | 104 | 117.4 Ų | 117.4 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.4 | -55.9 | -178.2 | -131.3 | 86.1 | 0 | 0 | 0 | 113 | K2 P3 L7 Q8 F9 | K2-L5 PolarHBondContact O-N 3.29Å; P3-L5 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.69Å; L5-Q8 PolarHBondContact O-N 3.36Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.43Å; L5-F9 HydrophobicContact CG-CE2 3.89Å; L5-F9 WeakPolarHBondContact O-CD2 3.05Å; L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.09Å |
| 6 | P | 76.3 | Confident | 73.3 | Confident | 83 Ų | 83 | 113.6 Ų | 113.6 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.4 | -31.7 | -178.3 | 24.8 | -35.4 | 0 | 0 | 0 | 112.4 | P3 F9 L10 | P3-P6 VanDerWaalsContact O-CD 3.26Å; P3-P6 WeakPolarHBondContact O-CD 3.42Å; P3-P6 VanDerWaalsContact O-CG 3.28Å; P3-P6 WeakPolarHBondContact O-CG 3.33Å; P6-F9 PolarHBondContact O-N 3.04Å; P6-L10 WeakPolarHBondContact O-CB 3.05Å; P6-L10 PolarHBondContact O-N 2.84Å |
| 7 | L | 78.4 | Confident | 72.8 | Confident | 124 Ų | 124 | 113.3 Ų | 113.3 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71 | -39.3 | 179.8 | -151.7 | 137.4 | 0 | 0 | 0 | 111.4 | V4 L5 L10 V11 | V4-L7 PolarHBondContact O-N 3.29Å; L5-L7 PolarHBondContact O-N 2.69Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 2.04Å; L7-V11 VanDerWaalsContact O-N 3.09Å |
| 8 | Q | 80.5 | Confident | 72 | Confident | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 172.3 | -72.8 | -175.3 | 17 | 0 | 0 | 112.1 | V4 L5 L10 V11 V12 | V4-Q8 HydrophobicContact CG1-CG 4.24Å; V4-Q8 VanDerWaalsContact CG1-NE2 3.31Å; V4-Q8 WeakPolarHBondContact O-CG 3.44Å; V4-Q8 PolarHBondContact O-N 3.03Å; L5-Q8 PolarHBondContact O-N 3.36Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.89Å; Q8-V11 PolarHBondContact O-N 2.72Å; Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.43Å |
| 9 | F | 81.1 | Confident | 71.1 | Confident | 140 Ų | 140 | 117.9 Ų | 117.9 | 61% | 0.614 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61 | -41 | 175.7 | -79.1 | -68.9 | 0 | 0 | 0 | 112.3 | L5 P6 V12 F13 | L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.43Å; L5-F9 HydrophobicContact CG-CE2 3.89Å; L5-F9 WeakPolarHBondContact O-CD2 3.05Å; L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.09Å; P6-F9 PolarHBondContact O-N 3.04Å; F9-V12 PolarHBondContact O-N 3.04Å; F9-F13 WeakPolarHBondContact O-CB 3Å; F9-F13 PolarHBondContact O-N 3.03Å |
| 10 | L | 81.3 | Confident | 70.2 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 178.3 | -165.4 | 149.8 | 0 | 0 | 0 | 111.2 | P6 L7 Q8 F13 C14 | P6-L10 WeakPolarHBondContact O-CB 3.05Å; P6-L10 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.36Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.89Å; L10-F13 PolarHBondContact O-N 2.92Å; L10-C14 WeakPolarHBondContact O-CB 3.4Å; L10-C14 PolarHBondContact O-N 2.81Å; L10-C14 PolarHBondContact O-SG 2.03Å |
| 11 | V | 82.8 | Confident | 69 | Low | 75 Ų | 75 | 117 Ų | 117 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L7 Q8 F13 C14 L15 | L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 2.04Å; L7-V11 VanDerWaalsContact O-N 3.09Å; Q8-V11 PolarHBondContact O-N 2.72Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 2.85Å; V11-C14 PolarHBondContact O-N 2.97Å; V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.71Å |
| 12 | V | 82.1 | Confident | 69 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.9 | -42.3 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | Q8 F9 L15 A16 | Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 3.43Å; F9-V12 PolarHBondContact O-N 3.04Å; V12-L15 PolarHBondContact O-N 2.78Å; V12-A16 PolarHBondContact O-N 3.15Å |
| 13 | F | 77.9 | Confident | 69.1 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -43.4 | 178.4 | -174.6 | -103.1 | 0 | 0 | 0 | 112.3 | F9 L10 V11 L15 A16 L17 | F9-F13 WeakPolarHBondContact O-CB 3Å; F9-F13 PolarHBondContact O-N 3.03Å; L10-F13 PolarHBondContact O-N 2.92Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 2.85Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.63Å; F13-A16 PolarHBondContact O-N 3.4Å; F13-L17 HydrophobicContact CD1-CD1 3.83Å; F13-L17 HydrophobicContact CD1-CG 4.4Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.08Å; F13-L17 HydrophobicContact CZ-CD1 3.86Å; F13-L17 HydrophobicContact CZ-CD2 4.38Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 WeakPolarHBondContact O-CG 2.97Å; F13-L17 PolarHBondContact O-N 3.07Å |
| 14 | C | 74.6 | Confident | 69 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -40.3 | 176.5 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L10 V11 L17 Q18 | L10-C14 WeakPolarHBondContact O-CB 3.4Å; L10-C14 PolarHBondContact O-N 2.81Å; L10-C14 PolarHBondContact O-SG 2.03Å; V11-C14 PolarHBondContact O-N 2.97Å; C14-L17 PolarHBondContact O-N 2.88Å; C14-Q18 WeakPolarHBondContact O-CG 3.3Å; C14-Q18 PolarHBondContact O-N 2.71Å |
| 15 | L | 71.9 | Confident | 68.5 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 62% | 0.618 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -40.1 | 176.3 | -68.6 | 171.8 | 0 | 0 | 0 | 112 | V11 V12 F13 L17 Q18 L19 | V11-L15 HydrophobicContact CG1-CD1 4.09Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 2.71Å; V12-L15 PolarHBondContact O-N 2.78Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 2.63Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.01Å; L15-Q18 PolarHBondContact O-N 2.63Å; L15-L19 PolarHBondContact O-N 3.21Å |
| 16 | A | 66.4 | Low | 67.8 | Low | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.2 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V12 F13 Q18 L19 | V12-A16 PolarHBondContact O-N 3.15Å; F13-A16 PolarHBondContact O-N 3.4Å; A16-Q18 VanDerWaalsContact C-N 3.32Å; A16-Q18 PolarHBondContact O-N 2.83Å; A16-L19 PolarHBondContact O-N 3.45Å |
| 17 | L | 64.4 | Low | 66.8 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -29.5 | 176.4 | -73.6 | 178.3 | 0 | 0 | 0 | 113.3 | F13 C14 L15 | F13-L17 HydrophobicContact CD1-CD1 3.83Å; F13-L17 HydrophobicContact CD1-CG 4.4Å; F13-L17 HydrophobicContact CE1-CD1 3.35Å; F13-L17 HydrophobicContact CE1-CG 4.08Å; F13-L17 HydrophobicContact CZ-CD1 3.86Å; F13-L17 HydrophobicContact CZ-CD2 4.38Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 WeakPolarHBondContact O-CG 2.97Å; F13-L17 PolarHBondContact O-N 3.07Å; C14-L17 PolarHBondContact O-N 2.88Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.01Å |
| 18 | Q | 58.3 | Low | 65.9 | Low | 166 Ų | 166 | 109.6 Ų | 109.6 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.3 | -23 | 176.9 | -68.4 | -71.8 | -8.3 | 0 | 0 | 112.9 | C14 L15 A16 | C14-Q18 WeakPolarHBondContact O-CG 3.3Å; C14-Q18 PolarHBondContact O-N 2.71Å; L15-Q18 PolarHBondContact O-N 2.63Å; A16-Q18 VanDerWaalsContact C-N 3.32Å; A16-Q18 PolarHBondContact O-N 2.83Å |
| 19 | L | 54.6 | Low | 64.7 | Low | 149 Ų | 149 | 108.5 Ų | 108.5 | 78% | 0.78 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -83.4 | -10.1 | -175.1 | -156.3 | 67.7 | 0 | 0 | 0 | 113.7 | L15 A16 P21 | L15-L19 PolarHBondContact O-N 3.21Å; A16-L19 PolarHBondContact O-N 3.45Å; L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.34Å |
| 20 | V | 52.4 | Low | 63.5 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -90.1 | 107.5 | 171.6 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | G22 | V20-G22 PolarHBondContact O-N 2.91Å; V20-G22 VanDerWaalsContact O-N 3.13Å |
| 21 | P | 45.8 | Very low | 62.1 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 83% | 0.825 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -65.8 | 117.2 | 174.6 | 27.9 | -32.7 | 0 | 0 | 0 | 108.4 | L19 | L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.34Å |
| 22 | G | 55.1 | Low | 60.8 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 124.9 | 117.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V20 | V20-G22 PolarHBondContact O-N 2.91Å; V20-G22 VanDerWaalsContact O-N 3.13Å |
| 23 | S | 64.4 | Low | 59.4 | Low | 49 Ų | 49 | 114.7 Ų | 114.7 | 34% | 0.343 | 60% | 0.601 | S | S | . | * | trans | -68.7 | 146 | 177.2 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | K25 E26 R27 | S23-K25 PolarHBondContact O-N 2.88Å; S23-E26 PolarHBondContact N-OE2 3.13Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 2.98Å; S23-E26 PolarHBondContact OG-OE2 3.42Å; S23-R27 PolarHBondContact O-N 3.1Å | ||
| 24 | P | 60.5 | Low | 57.9 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 70% | 0.695 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.3 | -24.2 | 175.1 | 19.9 | -29.9 | 0 | 0 | 0 | 112.5 | V28 | P24-V28 WeakPolarHBondContact O-CG2 3.42Å; P24-V28 PolarHBondContact O-N 2.03Å |
| 25 | K | 57.1 | Low | 57 | Low | 176 Ų | 176 | 116 Ų | 116 | 77% | 0.765 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.6 | -41.5 | 174 | -71.2 | -175.6 | 176.4 | 178.3 | 0 | 112.7 | S23 R27 V28 L29 | S23-K25 PolarHBondContact O-N 2.88Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 PolarHBondContact O-N 2.96Å; K25-V28 PolarHBondContact O-N 2.83Å; K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 PolarHBondContact O-N 2.81Å |
| 26 | E | 57.5 | Low | 56.3 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 177.1 | -75.2 | 167.5 | 127.8 | 0 | 0 | 111.7 | S23 V28 L29 K30 | S23-E26 PolarHBondContact N-OE2 3.13Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.29Å; S23-E26 PolarHBondContact OG-N 2.98Å; S23-E26 PolarHBondContact OG-OE2 3.42Å; E26-V28 PolarHBondContact O-N 3.34Å; E26-L29 PolarHBondContact O-N 3.1Å; E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.13Å |
| 27 | R | 56.4 | Low | 56 | Low | 168 Ų | 168 | 115.9 Ų | 115.9 | 63% | 0.634 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 175.3 | -169.3 | -176.8 | -71.1 | -151.2 | 1.5 | 111.3 | S23 K25 Y31 | S23-R27 PolarHBondContact O-N 3.1Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 PolarHBondContact O-N 2.96Å; R27-Y31 HydrophobicContact CG-CD2 4.35Å; R27-Y31 HydrophobicContact CG-CE2 3.79Å; R27-Y31 WeakPolarHBondContact O-CD2 3.44Å; R27-Y31 PolarHBondContact O-N 2.88Å |
| 28 | V | 58.9 | Low | 55.7 | Low | 85 Ų | 85 | 112.2 Ų | 112.2 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.9 | -41.8 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | P24 K25 E26 K30 Y31 I32 | P24-V28 WeakPolarHBondContact O-CG2 3.42Å; P24-V28 PolarHBondContact O-N 2.03Å; K25-V28 PolarHBondContact O-N 2.83Å; E26-V28 PolarHBondContact O-N 3.34Å; V28-K30 VanDerWaalsContact C-N 3.31Å; V28-K30 PolarHBondContact O-N 3.06Å; V28-Y31 PolarHBondContact O-N 2.74Å; V28-Y31 VanDerWaalsContact O-N 3.16Å; V28-I32 HydrophobicContact CG1-CD1 3.78Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 WeakPolarHBondContact O-CG1 2.89Å; V28-I32 PolarHBondContact O-N 3.07Å; V28-I32 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 56 | Low | 55.7 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.4 | -40 | 178.7 | -172.6 | 67.3 | 0 | 0 | 0 | 111.9 | K25 E26 Y31 I32 L33 | K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 PolarHBondContact O-N 2.81Å; E26-L29 PolarHBondContact O-N 3.1Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.07Å; L29-I32 PolarHBondContact O-N 2.7Å; L29-I32 VanDerWaalsContact O-N 3.1Å; L29-L33 HydrophobicContact CD1-CD1 3.95Å; L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CD2-CD1 4.26Å; L29-L33 HydrophobicContact CG-CD1 3.73Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 PolarHBondContact O-N 3.47Å |
| 30 | K | 54.5 | Low | 55.7 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -56 | -44.7 | 174 | -174.3 | 174 | 178.7 | 176.3 | 0 | 111.7 | E26 V28 I32 L33 E34 | E26-K30 WeakPolarHBondContact O-CB 3.4Å; E26-K30 PolarHBondContact O-N 3.13Å; V28-K30 VanDerWaalsContact C-N 3.31Å; V28-K30 PolarHBondContact O-N 3.06Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.16Å; K30-L33 PolarHBondContact O-N 3.39Å; K30-E34 WeakPolarHBondContact CE-OE2 3.3Å; K30-E34 WeakPolarHBondContact CG-OE2 3.47Å; K30-E34 WeakPolarHBondContact O-CB 2.85Å; K30-E34 PolarHBondContact O-N 3.41Å |
| 31 | Y | 51.8 | Low | 55.8 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75 | -13.8 | 177.3 | -68.3 | -66.3 | 0 | 0 | 0 | 115.4 | R27 V28 L29 | R27-Y31 HydrophobicContact CG-CD2 4.35Å; R27-Y31 HydrophobicContact CG-CE2 3.79Å; R27-Y31 WeakPolarHBondContact O-CD2 3.44Å; R27-Y31 PolarHBondContact O-N 2.88Å; V28-Y31 PolarHBondContact O-N 2.74Å; V28-Y31 VanDerWaalsContact O-N 3.16Å; L29-Y31 VanDerWaalsContact C-N 3.31Å; L29-Y31 PolarHBondContact O-N 3.07Å |
| 32 | I | 55.6 | Low | 56 | Low | 127 Ų | 127 | 102.2 Ų | 102.2 | 65% | 0.651 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -88 | -36.9 | 174.2 | -65.7 | 168.1 | 0 | 0 | 0 | 110.3 | V28 L29 K30 | V28-I32 HydrophobicContact CG1-CD1 3.78Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 WeakPolarHBondContact O-CG1 2.89Å; V28-I32 PolarHBondContact O-N 3.07Å; V28-I32 VanDerWaalsContact O-N 3.13Å; L29-I32 PolarHBondContact O-N 2.7Å; L29-I32 VanDerWaalsContact O-N 3.1Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 3.16Å |
| 33 | L | 53.3 | Low | 56.1 | Low | 128 Ų | 128 | 107.3 Ų | 107.3 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -86.1 | -30.6 | -178.8 | -71 | 167.8 | 0 | 0 | 0 | 112.9 | L29 K30 P35 | L29-L33 HydrophobicContact CD1-CD1 3.95Å; L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CD2-CD1 4.26Å; L29-L33 HydrophobicContact CG-CD1 3.73Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 PolarHBondContact O-N 3.47Å; K30-L33 PolarHBondContact O-N 3.39Å; L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.35Å |
| 34 | E | 47.5 | Very low | 55.8 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -84.1 | 113.2 | 169.1 | -81 | 174.5 | 108.7 | 0 | 0 | 109.4 | K30 | K30-E34 WeakPolarHBondContact CE-OE2 3.3Å; K30-E34 WeakPolarHBondContact CG-OE2 3.47Å; K30-E34 WeakPolarHBondContact O-CB 2.85Å; K30-E34 PolarHBondContact O-N 3.41Å |
| 35 | P | 54.9 | Low | 56.1 | Low | 106 Ų | 106 | 106 Ų | 106 | 69% | 0.688 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 145.3 | 171.7 | 21.3 | -29.9 | 0 | 0 | 0 | 109.7 | L33 | L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.35Å |
| 36 | P | 57.7 | Low | 56.5 | Low | 71 Ų | 71 | 103.7 Ų | 103.7 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -52 | 132.9 | 180 | 21.8 | -32.4 | 0 | 0 | 0 | 109.5 | C38 | P36-C38 PolarHBondContact O-N 3Š|
| 37 | P | 58.9 | Low | 57.1 | Low | 102 Ų | 102 | 102.5 Ų | 102.5 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 130.7 | -177.4 | 23.5 | -32.8 | 0 | 0 | 0 | 108.2 | I39 | P37-I39 PolarHBondContact O-N 3.4Å; P37-I39 VanDerWaalsContact O-N 3.07Å |
| 38 | C | 59.4 | Low | 58.3 | Low | 32 Ų | 32 | 100.2 Ų | 100.2 | 22% | 0.216 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 118.7 | 171.3 | -86.5 | 0 | 0 | 0 | 0 | 109.1 | P36 S40 C62 S64 | P36-C38 PolarHBondContact O-N 3Å; C38-S40 VanDerWaalsContact C-N 3.3Å; C38-S40 PolarHBondContact O-N 2.92Å; C38-C62 HydrophobicContact CB-CB 3.96Å; C38-C62 WeakPolarHBondContact CB-SG 3.47Å; C38-C62 WeakPolarHBondContact SG-CB 3.39Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.36Å; C38-S64 PolarHBondContact O-OG 3.29Å |
| 39 | I | 58.1 | Low | 59.5 | Low | 152 Ų | 152 | 96.5 Ų | 96.5 | 78% | 0.779 | 52% | 0.521 | S | S | * | . | trans | -83.4 | 84.5 | 175.2 | -55.2 | -166.6 | 0 | 0 | 0 | 106.7 | P37 | P37-I39 PolarHBondContact O-N 3.4Å; P37-I39 VanDerWaalsContact O-N 3.07Å | ||
| 40 | S | 53 | Low | 60.9 | Low | 18 Ų | 18 | 97.7 Ų | 97.7 | 13% | 0.126 | 53% | 0.532 | C | S | . | . | trans | -78.5 | 126.9 | 161 | 60.5 | 0 | 0 | 0 | 0 | 107.5 | C38 S64 | C38-S40 VanDerWaalsContact C-N 3.3Å; C38-S40 PolarHBondContact O-N 2.92Å; S40-S64 VanDerWaalsContact OG-CB 3.31Å; S40-S64 WeakPolarHBondContact OG-CB 3.46Å; S40-S64 PolarHBondContact OG-OG 3.27Å | ||
| 41 | A | 54.6 | Low | 62.2 | Low | 42 Ų | 42 | 97.2 Ų | 97.2 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | trans | -55.1 | 144.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E43 N44 | A41-E43 HydrophobicContact CB-CG 4.47Å; A41-E43 PolarHBondContact O-N 3.5Å; A41-N44 WeakPolarHBondContact O-CB 3.38Å; A41-N44 PolarHBondContact O-N 3.32Å | ||
| 42 | P | 51.8 | Low | 63.5 | Low | 108 Ų | 108 | 92.8 Ų | 92.8 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -56 | -26.2 | 179.9 | 20.3 | -31 | 0 | 0 | 0 | 112.8 | N44 | P42-N44 PolarHBondContact O-N 3.2Š|
| 43 | E | 56.2 | Low | 64.8 | Low | 156 Ų | 156 | 93.8 Ų | 93.8 | 73% | 0.729 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.9 | 173.5 | -31.5 | -67.7 | 154.2 | 0 | 0 | 113.8 | A41 | A41-E43 HydrophobicContact CB-CG 4.47Å; A41-E43 PolarHBondContact O-N 3.5Å |
| 44 | N | 57.8 | Low | 66.3 | Low | 83 Ų | 83 | 91.7 Ų | 91.7 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -95.1 | 3.7 | -170.4 | -73.2 | -21.1 | 0 | 0 | 0 | 114.3 | A41 P42 T46 Q47 | A41-N44 WeakPolarHBondContact O-CB 3.38Å; A41-N44 PolarHBondContact O-N 3.32Å; P42-N44 PolarHBondContact O-N 3.2Å; N44-T46 PolarHBondContact O-N 3.34Å; N44-Q47 PolarHBondContact O-N 3.25Å |
| 45 | C | 66.7 | Low | 67.9 | Low | 46 Ų | 46 | 87 Ų | 87 | 31% | 0.311 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 7.9 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 114 | C66 | C45-C66 HydrophobicContact CB-CB 3.76Å; C45-C66 WeakPolarHBondContact CB-SG 2.96Å; C45-C66 WeakPolarHBondContact SG-CB 3.03Å; C45-C66 CovalentContact SG-SG 2.03Å; C45-C66 PolarHBondContact SG-SG 3.49Å |
| 46 | T | 66.3 | Low | 69.1 | Low | 128 Ų | 128 | 88.9 Ų | 88.9 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25.5 | 175.7 | 31 | 0 | 0 | 0 | 0 | 113.3 | N44 | N44-T46 PolarHBondContact O-N 3.34Š|
| 47 | Q | 70.3 | Confident | 70.1 | Confident | 93 Ų | 93 | 95.7 Ų | 95.7 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | trans | -104.8 | 81.3 | -176.7 | -164.6 | 171 | -3.6 | 0 | 0 | 111.4 | N44 V69 C70 | N44-Q47 PolarHBondContact O-N 3.25Å; Q47-V69 VanDerWaalsContact O-CA 3.29Å; Q47-V69 WeakPolarHBondContact O-CA 3.35Å; Q47-V69 WeakPolarHBondContact O-CB 3.31Å; Q47-C70 HydrophobicContact CG-CB 4.28Å; Q47-C70 PolarHBondContact O-N 3.05Å; Q47-C70 VanDerWaalsContact O-N 3.15Å | ||
| 48 | L | 82.1 | Confident | 70.9 | Confident | 120 Ų | 120 | 93.5 Ų | 93.5 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | B | Isolated β-bridge | trans | -71.8 | 147.3 | 172.4 | -64.4 | 165.9 | 0 | 0 | 0 | 110.5 | I68 V69 | L48-I68 WeakPolarHBondContact CA-O 2.8Å; L48-I68 WeakPolarHBondContact CD2-O 2.99Å; L48-V69 HydrophobicContact CD2-CG1 3.99Å |
| 49 | C | 82.5 | Confident | 71.8 | Confident | 8 Ų | 8 | 95.9 Ų | 95.9 | 5% | 0.054 | 51% | 0.514 | C | S | . | . | trans | -140.9 | 155.2 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | D54 C61 I68 | C49-D54 HydrophobicContact CB-CB 3.91Å; C49-C61 HydrophobicContact CB-CB 3.88Å; C49-C61 WeakPolarHBondContact CB-SG 3.23Å; C49-C61 WeakPolarHBondContact SG-CA 3.47Å; C49-C61 WeakPolarHBondContact SG-CB 3.36Å; C49-C61 CovalentContact SG-SG 2.03Å; C49-C61 PolarHBondContact SG-SG 3.05Å; C49-I68 PolarHBondContact N-O 3.01Å; C49-I68 VanDerWaalsContact N-O 3.07Å; C49-I68 VanDerWaalsContact O-CG2 3.28Å; C49-I68 WeakPolarHBondContact O-CG2 2.98Å | ||
| 50 | T | 85.2 | Confident | 72.8 | Confident | 120 Ų | 120 | 92.7 Ų | 92.7 | 74% | 0.736 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -115.4 | -36.4 | 174.4 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | D54 | T50-D54 PolarHBondContact N-OD2 2.88Å; T50-D54 PolarHBondContact OG1-OD2 3.34Å |
| 51 | M | 81.8 | Confident | 74.2 | Confident | 122 Ų | 122 | 93.2 Ų | 93.2 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -127.2 | 166.7 | 175.4 | -52.6 | -157.2 | 174.9 | 0 | 0 | 111 | E53 D54 | M51-E53 WeakPolarHBondContact CB-OE2 3.46Å; M51-E53 PolarHBondContact O-N 2.98Å; M51-D54 PolarHBondContact N-OD2 3.06Å; M51-D54 WeakPolarHBondContact O-CB 3.44Å; M51-D54 PolarHBondContact O-N 2.89Å |
| 52 | Q | 79.1 | Confident | 75.3 | Confident | 76 Ų | 76 | 92.3 Ų | 92.3 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -67.6 | -28.5 | -175.3 | -177.7 | 49.9 | 71.2 | 0 | 0 | 112.2 | D54 C55 F59 Q60 | Q52-D54 PolarHBondContact O-N 2.9Å; Q52-C55 PolarHBondContact O-N 3.13Å; Q52-F59 PolarHBondContact NE2-O 3.47Å; Q52-Q60 VanDerWaalsContact OE1-CB 3.29Å |
| 53 | E | 84.3 | Confident | 76.5 | Confident | 148 Ų | 148 | 91.4 Ų | 91.4 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -74.5 | -17 | -178.8 | -52.6 | 72.4 | -154 | 0 | 0 | 112.3 | M51 C55 | M51-E53 WeakPolarHBondContact CB-OE2 3.46Å; M51-E53 PolarHBondContact O-N 2.98Å; E53-C55 PolarHBondContact O-N 3.07Å |
| 54 | D | 83.6 | Confident | 77.3 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -68.2 | -21.8 | 174.1 | -59.8 | -25.3 | 0 | 0 | 0 | 111.4 | C49 T50 M51 Q52 | C49-D54 HydrophobicContact CB-CB 3.91Å; T50-D54 PolarHBondContact N-OD2 2.88Å; T50-D54 PolarHBondContact OG1-OD2 3.34Å; M51-D54 PolarHBondContact N-OD2 3.06Å; M51-D54 WeakPolarHBondContact O-CB 3.44Å; M51-D54 PolarHBondContact O-N 2.89Å; Q52-D54 PolarHBondContact O-N 2.9Å |
| 55 | C | 80.9 | Confident | 77.9 | Confident | 14 Ų | 14 | 91.3 Ų | 91.3 | 10% | 0.095 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -92.5 | 145.4 | -179 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | Q52 E53 F59 C70 | Q52-C55 PolarHBondContact O-N 3.13Å; E53-C55 PolarHBondContact O-N 3.07Å; C55-F59 HydrophobicContact CB-CB 3.87Å; C55-C70 WeakPolarHBondContact CA-SG 3.27Å; C55-C70 HydrophobicContact CB-CB 3.86Å; C55-C70 WeakPolarHBondContact CB-SG 3.26Å; C55-C70 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact SG-CB 3.34Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 3.46Å |
| 56 | Q | 80.9 | Confident | 78.3 | Confident | 145 Ų | 145 | 91.6 Ų | 91.6 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 154.8 | 172.4 | -73.6 | -166.5 | -11.3 | 0 | 0 | 111.5 | G58 F59 | Q56-G58 PolarHBondContact O-N 3.19Å; Q56-F59 HydrophobicContact CB-CD2 4.18Å; Q56-F59 WeakPolarHBondContact O-CB 3.32Å; Q56-F59 PolarHBondContact O-N 3.47Å |
| 57 | K | 79.4 | Confident | 78.8 | Confident | 214 Ų | 214 | 86.9 Ų | 86.9 | 93% | 0.93 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 127.5 | 177.7 | -70.4 | -176 | 179.4 | -179.1 | 0 | 110.7 | ||
| 58 | G | 74.6 | Confident | 79.3 | Confident | 56 Ų | 56 | 86.7 Ų | 86.7 | 58% | 0.577 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -0.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q56 D73 | Q56-G58 PolarHBondContact O-N 3.19Å; G58-D73 PolarHBondContact O-N 3.05Å |
| 59 | F | 78.7 | Confident | 79.4 | Confident | 81 Ų | 81 | 81 Ų | 81 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 151.4 | 172.7 | -67.3 | -97.4 | 0 | 0 | 0 | 110.4 | Q52 C55 Q56 C70 S71 | Q52-F59 PolarHBondContact NE2-O 3.47Å; C55-F59 HydrophobicContact CB-CB 3.87Å; Q56-F59 HydrophobicContact CB-CD2 4.18Å; Q56-F59 WeakPolarHBondContact O-CB 3.32Å; Q56-F59 PolarHBondContact O-N 3.47Å; F59-C70 HydrophobicContact CB-CB 4.33Å; F59-S71 CarbonylContact C-O 3.44Å; F59-S71 VanDerWaalsContact CA-O 3.25Å; F59-S71 WeakPolarHBondContact CA-O 3.34Å |
| 60 | Q | 79.8 | Confident | 79.3 | Confident | 86 Ų | 86 | 81 Ų | 81 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.8 | 173.9 | -71 | -171.9 | 5 | 0 | 0 | 112.7 | Q52 C70 S71 D73 | Q52-Q60 VanDerWaalsContact OE1-CB 3.29Å; Q60-C70 CarbonylContact O-C 3.58Å; Q60-C70 WeakPolarHBondContact O-CA 3.34Å; Q60-S71 PolarHBondContact N-O 3.35Å; Q60-S71 PolarHBondContact O-N 3.24Å; Q60-D73 HydrophobicContact CG-CB 4Å; Q60-D73 PolarHBondContact NE2-OD1 2.99Å; Q60-D73 PolarHBondContact NE2-OD2 3.22Å |
| 61 | C | 81.5 | Confident | 78.9 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.5 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | C49 I68 | C49-C61 HydrophobicContact CB-CB 3.88Å; C49-C61 WeakPolarHBondContact CB-SG 3.23Å; C49-C61 WeakPolarHBondContact SG-CA 3.47Å; C49-C61 WeakPolarHBondContact SG-CB 3.36Å; C49-C61 CovalentContact SG-SG 2.03Å; C49-C61 PolarHBondContact SG-SG 3.05Å; C61-I68 WeakPolarHBondContact SG-CG2 3.34Å |
| 62 | C | 78.9 | Confident | 78.6 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160 | -175.4 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | C38 I68 V69 S71 | C38-C62 HydrophobicContact CB-CB 3.96Å; C38-C62 WeakPolarHBondContact CB-SG 3.47Å; C38-C62 WeakPolarHBondContact SG-CB 3.39Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.36Å; C62-I68 CarbonylContact O-C 3.6Å; C62-I68 WeakPolarHBondContact O-CA 3.08Å; C62-V69 PolarHBondContact N-O 3.48Å; C62-V69 PolarHBondContact O-N 3.38Å; C62-S71 WeakPolarHBondContact SG-CB 3.28Å |
| 63 | S | 75.7 | Confident | 77.9 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 63% | 0.629 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.1 | -179.7 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 64 | S | 73.8 | Confident | 76.6 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | -178.2 | 174.3 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | C38 S40 C66 G67 | C38-S64 PolarHBondContact O-OG 3.29Å; S40-S64 VanDerWaalsContact OG-CB 3.31Å; S40-S64 WeakPolarHBondContact OG-CB 3.46Å; S40-S64 PolarHBondContact OG-OG 3.27Å; S64-C66 PolarHBondContact O-N 3.29Å; S64-C66 VanDerWaalsContact O-N 3.13Å; S64-G67 PolarHBondContact N-O 3.3Å; S64-G67 PolarHBondContact O-N 3.01Å; S64-G67 VanDerWaalsContact O-N 3.1Å |
| 65 | F | 69.6 | Low | 75.1 | Confident | 213 Ų | 213 | 73.2 Ų | 73.2 | 93% | 0.934 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31.6 | -175.2 | -178.9 | -102 | 0 | 0 | 0 | 113.5 | ||
| 66 | C | 75.1 | Confident | 73.7 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.5 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | C45 S64 | C45-C66 HydrophobicContact CB-CB 3.76Å; C45-C66 WeakPolarHBondContact CB-SG 2.96Å; C45-C66 WeakPolarHBondContact SG-CB 3.03Å; C45-C66 CovalentContact SG-SG 2.03Å; C45-C66 PolarHBondContact SG-SG 3.49Å; S64-C66 PolarHBondContact O-N 3.29Å; S64-C66 VanDerWaalsContact O-N 3.13Å |
| 67 | G | 77.6 | Confident | 71.9 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.2 | -159.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S64 | S64-G67 PolarHBondContact N-O 3.3Å; S64-G67 PolarHBondContact O-N 3.01Å; S64-G67 VanDerWaalsContact O-N 3.1Å |
| 68 | I | 80.5 | Confident | 70.4 | Confident | 88 Ų | 88 | 81.7 Ų | 81.7 | 45% | 0.451 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.6 | -179.1 | -49.1 | 178.4 | 0 | 0 | 0 | 108.9 | L48 C49 C61 C62 | L48-I68 WeakPolarHBondContact CA-O 2.8Å; L48-I68 WeakPolarHBondContact CD2-O 2.99Å; C49-I68 PolarHBondContact N-O 3.01Å; C49-I68 VanDerWaalsContact N-O 3.07Å; C49-I68 VanDerWaalsContact O-CG2 3.28Å; C49-I68 WeakPolarHBondContact O-CG2 2.98Å; C61-I68 WeakPolarHBondContact SG-CG2 3.34Å; C62-I68 CarbonylContact O-C 3.6Å; C62-I68 WeakPolarHBondContact O-CA 3.08Å |
| 69 | V | 84 | Confident | 68.9 | Low | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 157.2 | -171.2 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | Q47 L48 C62 S71 | Q47-V69 VanDerWaalsContact O-CA 3.29Å; Q47-V69 WeakPolarHBondContact O-CA 3.35Å; Q47-V69 WeakPolarHBondContact O-CB 3.31Å; L48-V69 HydrophobicContact CD2-CG1 3.99Å; C62-V69 PolarHBondContact N-O 3.48Å; C62-V69 PolarHBondContact O-N 3.38Å; V69-S71 PolarHBondContact O-N 2.95Å |
| 70 | C | 80.6 | Confident | 67.2 | Low | 9 Ų | 9 | 96.1 Ų | 96.1 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.9 | 173.9 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | Q47 C55 F59 Q60 | Q47-C70 HydrophobicContact CG-CB 4.28Å; Q47-C70 PolarHBondContact O-N 3.05Å; Q47-C70 VanDerWaalsContact O-N 3.15Å; C55-C70 WeakPolarHBondContact CA-SG 3.27Å; C55-C70 HydrophobicContact CB-CB 3.86Å; C55-C70 WeakPolarHBondContact CB-SG 3.26Å; C55-C70 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact SG-CB 3.34Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 3.46Å; F59-C70 HydrophobicContact CB-CB 4.33Å; Q60-C70 CarbonylContact O-C 3.58Å; Q60-C70 WeakPolarHBondContact O-CA 3.34Å |
| 71 | S | 77.4 | Confident | 65.6 | Low | 19 Ų | 19 | 101.1 Ų | 101.1 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | F59 Q60 C62 V69 D73 | F59-S71 CarbonylContact C-O 3.44Å; F59-S71 VanDerWaalsContact CA-O 3.25Å; F59-S71 WeakPolarHBondContact CA-O 3.34Å; Q60-S71 PolarHBondContact N-O 3.35Å; Q60-S71 PolarHBondContact O-N 3.24Å; C62-S71 WeakPolarHBondContact SG-CB 3.28Å; V69-S71 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact O-N 3.36Å |
| 72 | S | 74.9 | Confident | 63.4 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.1 | 179.3 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | T74 | S72-T74 PolarHBondContact O-N 3.44Å; S72-T74 PolarHBondContact OG-OG1 3.41Å |
| 73 | D | 63.1 | Low | 61.5 | Low | 83 Ų | 83 | 112.4 Ų | 112.4 | 44% | 0.444 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -72.1 | 5.6 | 178.9 | -165.3 | 12.6 | 0 | 0 | 0 | 113 | G58 Q60 S71 L75 | G58-D73 PolarHBondContact O-N 3.05Å; Q60-D73 HydrophobicContact CG-CB 4Å; Q60-D73 PolarHBondContact NE2-OD1 2.99Å; Q60-D73 PolarHBondContact NE2-OD2 3.22Å; S71-D73 PolarHBondContact O-N 3.36Å; D73-L75 PolarHBondContact O-N 3.02Å |
| 74 | T | 57.1 | Low | 60 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 55% | 0.546 | 55% | 0.548 | S | S | . | . | trans | -66.7 | 92.7 | 161.7 | 60 | 0 | 0 | 0 | 0 | 106 | S72 Q76 | S72-T74 PolarHBondContact O-N 3.44Å; S72-T74 PolarHBondContact OG-OG1 3.41Å; T74-Q76 PolarHBondContact O-N 2.94Å | ||
| 75 | L | 53.4 | Low | 58.4 | Low | 143 Ų | 143 | 115.7 Ų | 115.7 | 75% | 0.749 | 58% | 0.576 | S | S | * | * | trans | -46.4 | 89.3 | 144.6 | -78.9 | 170 | 0 | 0 | 0 | 104.7 | D73 K77 | D73-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 3.09Å | ||
| 76 | Q | 50.6 | Low | 56.9 | Low | 162 Ų | 162 | 111 Ų | 111 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | trans | -58.6 | 103.7 | 171.3 | -79.7 | -163 | 7.2 | 0 | 0 | 101.8 | T74 R78 | T74-Q76 PolarHBondContact O-N 2.94Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 WeakPolarHBondContact O-CA 3.34Å; Q76-R78 PolarHBondContact O-N 3.31Å | ||
| 77 | K | 43.6 | Very low | 55.4 | Low | 196 Ų | 196 | 116.9 Ų | 116.9 | 85% | 0.852 | 59% | 0.592 | S | S | * | * | trans | -42.3 | 106.3 | 171.5 | -75.4 | -178.8 | 177.7 | 178.6 | 0 | 103.5 | L75 K79 | L75-K77 PolarHBondContact O-N 3.09Å; K77-K79 PolarHBondContact O-N 3.43Å | ||
| 78 | R | 48.3 | Very low | 53.7 | Low | 193 Ų | 193 | 121 Ų | 121 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | trans | -52.7 | 97.1 | -173.2 | -84.1 | -179.7 | 175.9 | 166 | -3.5 | 105.6 | Q76 R80 | Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 WeakPolarHBondContact O-CA 3.34Å; Q76-R78 PolarHBondContact O-N 3.31Å; R78-R80 PolarHBondContact O-N 3.01Å | ||
| 79 | K | 43.4 | Very low | 52.2 | Low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | trans | -61.5 | 103.4 | 149.8 | -77.6 | -170.4 | 179.2 | -179.9 | 0 | 100.4 | K77 Y81 | K77-K79 PolarHBondContact O-N 3.43Å; K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.37Å | ||
| 80 | R | 42.8 | Very low | 50 | Low | 238 Ų | 238 | 130.7 Ų | 130.7 | 90% | 0.898 | 66% | 0.659 | S | S | * | * | trans | -44.5 | 101.4 | -178.2 | -73.6 | -171.6 | -159.8 | 175.3 | 5.2 | 106.9 | R78 K82 | R78-R80 PolarHBondContact O-N 3.01Å; R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.43Å | ||
| 81 | Y | 45.5 | Very low | 48 | Very low | 191 Ų | 191 | 136 Ų | 136 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | trans | -72.1 | 103 | 168.6 | -174.3 | -96.5 | 0 | 0 | 0 | 103.7 | K79 P83 | K79-Y81 VanDerWaalsContact C-N 3.29Å; K79-Y81 PolarHBondContact O-N 3.37Å; Y81-P83 VanDerWaalsContact O-CD 3.32Å; Y81-P83 WeakPolarHBondContact O-CD 3.26Å | ||
| 82 | K | 35.8 | Very low | 46.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -63.5 | 116.1 | 171.8 | -164 | -176.9 | -173.9 | -171 | 0 | 104.4 | R80 T84 | R80-K82 VanDerWaalsContact C-N 3.3Å; R80-K82 PolarHBondContact O-N 3.43Å; K82-T84 PolarHBondContact O-N 3.27Å | ||
| 83 | P | 39.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 103.4 | 176.3 | 9 | -0.2 | 0 | 0 | 0 | 106.8 | Y81 G85 | Y81-P83 VanDerWaalsContact O-CD 3.32Å; Y81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-G85 PolarHBondContact O-N 3.09Å | ||
| 84 | T | 43.3 | Very low | 43.9 | Very low | 110 Ų | 110 | 154 Ų | 154 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -66 | 115.5 | 156.6 | 13 | 0 | 0 | 0 | 0 | 105.4 | K82 S86 | K82-T84 PolarHBondContact O-N 3.27Å; T84-S86 PolarHBondContact O-N 3.24Å | ||
| 85 | G | 39.4 | Very low | 43.2 | Very low | 73 Ų | 73 | 157.4 Ų | 157.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -48.4 | 123.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P83 E87 | P83-G85 PolarHBondContact O-N 3.09Å; G85-E87 PolarHBondContact O-N 3.46Å | ||
| 86 | S | 39.6 | Very low | 42.7 | Very low | 115 Ų | 115 | 158.2 Ų | 158.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 105.9 | 164.1 | -63.7 | 0 | 0 | 0 | 0 | 107 | T84 V88 | T84-S86 PolarHBondContact O-N 3.24Å; S86-V88 PolarHBondContact O-N 3.04Å | ||
| 87 | E | 43.1 | Very low | 42.2 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -55.8 | 109 | 163.5 | -144.2 | 174 | 156.2 | 0 | 0 | 106.7 | G85 I89 | G85-E87 PolarHBondContact O-N 3.46Å; E87-I89 VanDerWaalsContact C-N 3.34Å; E87-I89 PolarHBondContact O-N 3.41Å | ||
| 88 | V | 41.1 | Very low | 42.1 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 95.1 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | S86 M90 | S86-V88 PolarHBondContact O-N 3.04Å; V88-M90 HydrophobicContact CG1-CE 3.59Å; V88-M90 PolarHBondContact O-N 3.46Å | ||
| 89 | I | 48.7 | Very low | 41.7 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 107.5 | 169.8 | -58.7 | 169.3 | 0 | 0 | 0 | 106.7 | E87 | E87-I89 VanDerWaalsContact C-N 3.34Å; E87-I89 PolarHBondContact O-N 3.41Å | ||
| 90 | M | 37.7 | Very low | 41.6 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 70% | 0.7 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 132.6 | 169.1 | -73.3 | -82.9 | 121.4 | 0 | 0 | 109.3 | V88 T92 | V88-M90 HydrophobicContact CG1-CE 3.59Å; V88-M90 PolarHBondContact O-N 3.46Å; M90-T92 PolarHBondContact O-N 3.02Å | ||
| 91 | P | 38.6 | Very low | 41.5 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 123.3 | 170.1 | 29 | -29.8 | 0 | 0 | 0 | 109.8 | ||||
| 92 | T | 47 | Very low | 41.2 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -81.2 | 113.5 | 168 | -25.2 | 0 | 0 | 0 | 0 | 108.8 | M90 | M90-T92 PolarHBondContact O-N 3.02Š| ||
| 93 | N | 40 | Very low | 41.7 | Very low | 232 Ų | 232 | 135 Ų | 135 | 100% | 1.241 | 80% | 0.802 | S | S | * | * | trans | -165.6 | 0 | 140.5 | -159.4 | -10 | 0 | 0 | 0 | 109.2 |
Retrieved 93 of 93 residues in 117.5 ms
(Link to these results)