| 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 | 51 | Low | 50.4 | Low | 227 Ų | 227 | 133.5 Ų | 133.5 | 100% | 1.118 | 70% | 0.697 | S | S | * | * | 0 | 9.6 | 0 | -63.5 | -166.8 | -161.8 | 0 | 0 | 114.8 | |||||
| 2 | L | 50 | Low | 50.5 | Low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -94.1 | -29.5 | 176.9 | -94.7 | 77.2 | 0 | 0 | 0 | 114.6 | M4 R5 | L2-M4 PolarHBondContact O-N 2.86Å; L2-R5 PolarHBondContact O-N 3.35Å | ||
| 3 | A | 50.1 | Low | 50.8 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.9 | -28.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R5 | A3-R5 VanDerWaalsContact C-N 3.35Å |
| 4 | M | 47.8 | Very low | 51 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.9 | -14 | -178.7 | -66.8 | -94.9 | -83.6 | 0 | 0 | 113.4 | L2 | L2-M4 PolarHBondContact O-N 2.86Å |
| 5 | R | 48.2 | Very low | 51.2 | Low | 186 Ų | 186 | 119 Ų | 119 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.2 | -36.9 | -180 | -142.2 | 171.1 | -179.2 | 171.3 | -0.5 | 111.1 | L2 A3 R8 H9 | L2-R5 PolarHBondContact O-N 3.35Å; A3-R5 VanDerWaalsContact C-N 3.35Å; R5-R8 PolarHBondContact O-N 3.12Å; R5-H9 PolarHBondContact O-CD2 3.08Å; R5-H9 PolarHBondContact O-N 2.79Å |
| 6 | G | 49.8 | Very low | 51.4 | Low | 40 Ų | 40 | 116.5 Ų | 116.5 | 41% | 0.412 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.2 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R8 H9 V10 | G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.44Å; G6-H9 PolarHBondContact O-N 3.31Å; G6-V10 WeakPolarHBondContact O-CG2 3.32Å; G6-V10 PolarHBondContact O-N 3.29Å |
| 7 | L | 49.8 | Very low | 51.3 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -33.5 | 179.5 | -144.4 | 74.4 | 0 | 0 | 0 | 112.7 | A11 | L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.3Å; L7-A11 PolarHBondContact O-N 3.02Å |
| 8 | R | 49.2 | Very low | 51.1 | Low | 197 Ų | 197 | 112.2 Ų | 112.2 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.1 | -38.9 | 173.8 | -88.5 | 179.7 | 149.8 | -174.2 | -5.6 | 112.8 | R5 G6 L12 | R5-R8 PolarHBondContact O-N 3.12Å; G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.44Å; R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.82Å |
| 9 | H | 51.1 | Low | 50.9 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 59% | 0.593 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.1 | -36.8 | 177.2 | -72.6 | -59.1 | 0 | 0 | 0 | 112.5 | R5 G6 A13 | R5-H9 PolarHBondContact O-CD2 3.08Å; R5-H9 PolarHBondContact O-N 2.79Å; G6-H9 PolarHBondContact O-N 3.31Å; H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.29Å |
| 10 | V | 54.6 | Low | 50.8 | Low | 93 Ų | 93 | 115.1 Ų | 115.1 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -42 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | G6 A13 V14 | G6-V10 WeakPolarHBondContact O-CG2 3.32Å; G6-V10 PolarHBondContact O-N 3.29Å; V10-A13 PolarHBondContact O-N 2.76Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 3.15Å |
| 11 | A | 52.5 | Low | 50.7 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.6 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L7 A15 | L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.3Å; L7-A11 PolarHBondContact O-N 3.02Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.81Å; A11-A15 VanDerWaalsContact O-N 3.07Å |
| 12 | L | 52.1 | Low | 50.7 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.3 | -41 | 175.3 | -127.2 | 92.2 | 0 | 0 | 0 | 111.8 | R8 A15 V16 | R8-L12 WeakPolarHBondContact O-CB 3.47Å; R8-L12 PolarHBondContact O-N 2.82Å; L12-A15 PolarHBondContact O-N 2.54Å; L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 2.89Å |
| 13 | A | 54.2 | Low | 50.5 | Low | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -39.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H9 V10 C17 | H9-A13 WeakPolarHBondContact O-CB 3.41Å; H9-A13 PolarHBondContact O-N 3.29Å; V10-A13 PolarHBondContact O-N 2.76Å; A13-C17 WeakPolarHBondContact O-CB 3.24Å; A13-C17 PolarHBondContact O-N 2.92Å; A13-C17 PolarHBondContact O-SG 3.46Å |
| 14 | V | 54.2 | Low | 50.2 | Low | 87 Ų | 87 | 109.8 Ų | 109.8 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.2 | -37.2 | 176 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | V10 S18 | V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 3.15Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 2.93Å; V14-S18 PolarHBondContact O-OG 3.24Å |
| 15 | A | 54.1 | Low | 50.1 | Low | 53 Ų | 53 | 109.1 Ų | 109.1 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.8 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A11 L12 S18 L19 | A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 2.81Å; A11-A15 VanDerWaalsContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 2.54Å; A15-S18 PolarHBondContact O-N 3.34Å; A15-L19 PolarHBondContact O-N 3.13Å |
| 16 | V | 53.4 | Low | 49.8 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.1 | -35.8 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | L12 L20 | L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 2.89Å; V16-L20 HydrophobicContact CG1-CD1 4.26Å; V16-L20 PolarHBondContact O-N 2.83Å |
| 17 | C | 49.3 | Very low | 49.5 | Very low | 81 Ų | 81 | 106 Ų | 106 | 55% | 0.547 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.6 | -32.4 | 173.7 | -68 | 0 | 0 | 0 | 0 | 112.7 | A13 L19 L20 V21 | A13-C17 WeakPolarHBondContact O-CB 3.24Å; A13-C17 PolarHBondContact O-N 2.92Å; A13-C17 PolarHBondContact O-SG 3.46Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-L20 PolarHBondContact O-N 3.37Å; C17-V21 WeakPolarHBondContact O-CG2 3.15Å |
| 18 | S | 48.7 | Very low | 49.5 | Very low | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.7 | -23.8 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 113 | V14 A15 | V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 2.93Å; V14-S18 PolarHBondContact O-OG 3.24Å; A15-S18 PolarHBondContact O-N 3.34Å |
| 19 | L | 47.8 | Very low | 49.3 | Very low | 141 Ų | 141 | 101 Ų | 101 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.5 | -13.4 | 174.4 | -82.2 | 158.6 | 0 | 0 | 0 | 113.7 | A15 C17 | A15-L19 PolarHBondContact O-N 3.13Å; C17-L19 VanDerWaalsContact C-N 3.33Å |
| 20 | L | 49.1 | Very low | 49.4 | Very low | 141 Ų | 141 | 100.3 Ų | 100.3 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -100 | -4.4 | -179 | -74.4 | 166.2 | 0 | 0 | 0 | 114.1 | V16 C17 | V16-L20 HydrophobicContact CG1-CD1 4.26Å; V16-L20 PolarHBondContact O-N 2.83Å; C17-L20 PolarHBondContact O-N 3.37Å |
| 21 | V | 48.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 98.3 Ų | 98.3 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -105.1 | -7.2 | -173.6 | 173.9 | 0 | 0 | 0 | 0 | 114.1 | C17 | C17-V21 WeakPolarHBondContact O-CG2 3.15Š|
| 22 | T | 49.5 | Very low | 49.8 | Very low | 109 Ų | 109 | 98.2 Ų | 98.2 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -110.4 | 120.8 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 23 | V | 47.5 | Very low | 50.5 | Low | 106 Ų | 106 | 98.2 Ų | 98.2 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | trans | 93 | 63.8 | 164.8 | -157.8 | 0 | 0 | 0 | 0 | 114.8 | L25 | V23-L25 HydrophobicContact CG1-CB 4.28Å; V23-L25 HydrophobicContact CG1-CD1 3.18Å; V23-L25 HydrophobicContact CG1-CG 4.32Å; V23-L25 PolarHBondContact O-N 3.11Å | ||
| 24 | T | 42.5 | Very low | 51.7 | Low | 142 Ų | 142 | 99.1 Ų | 99.1 | 87% | 0.871 | 62% | 0.622 | S | S | * | * | trans | -58.9 | 98 | 131.9 | 50.3 | 0 | 0 | 0 | 0 | 106.1 | G26 | T24-G26 PolarHBondContact O-N 2.86Š| ||
| 25 | L | 46.4 | Very low | 53.1 | Low | 142 Ų | 142 | 99.4 Ų | 99.4 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | trans | -61.5 | 91.5 | 161.5 | -131.2 | 75.5 | 0 | 0 | 0 | 104.3 | V23 S27 | V23-L25 HydrophobicContact CG1-CB 4.28Å; V23-L25 HydrophobicContact CG1-CD1 3.18Å; V23-L25 HydrophobicContact CG1-CG 4.32Å; V23-L25 PolarHBondContact O-N 3.11Å; L25-S27 PolarHBondContact O-N 3.08Å | ||
| 26 | G | 41.3 | Very low | 54.7 | Low | 60 Ų | 60 | 104.2 Ų | 104.2 | 62% | 0.619 | 63% | 0.626 | S | S | * | * | trans | -48.7 | 120.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | T24 P28 | T24-G26 PolarHBondContact O-N 2.86Å; G26-P28 WeakPolarHBondContact O-CD 3.32Å | ||
| 27 | S | 44.6 | Very low | 56.5 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | trans | -48.3 | 119.2 | 173.3 | -168.2 | 0 | 0 | 0 | 0 | 105.6 | L25 V29 | L25-S27 PolarHBondContact O-N 3.08Å; S27-V29 PolarHBondContact O-N 3.39Å | ||
| 28 | P | 48.1 | Very low | 58.5 | Low | 94 Ų | 94 | 100.3 Ų | 100.3 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | trans | -69.5 | 92.9 | 169.8 | 31.2 | -28.6 | 0 | 0 | 0 | 102.3 | G26 V30 | G26-P28 WeakPolarHBondContact O-CD 3.32Å; P28-V30 HydrophobicContact CB-CG2 3.97Å; P28-V30 PolarHBondContact O-N 3.46Å | ||
| 29 | V | 46.6 | Very low | 60.5 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 78% | 0.782 | 61% | 0.607 | S | S | * | * | trans | -62.5 | 83.2 | 147.4 | -178.9 | 0 | 0 | 0 | 0 | 102.3 | S27 G31 | S27-V29 PolarHBondContact O-N 3.39Å; V29-G31 PolarHBondContact O-N 2.04Å | ||
| 30 | V | 52.9 | Low | 62.6 | Low | 114 Ų | 114 | 96.1 Ų | 96.1 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | trans | -59.3 | 92 | 160 | 175 | 0 | 0 | 0 | 0 | 101.7 | P28 S32 | P28-V30 HydrophobicContact CB-CG2 3.97Å; P28-V30 PolarHBondContact O-N 3.46Å; V30-S32 PolarHBondContact O-N 2.03Å | ||
| 31 | G | 55.5 | Low | 64.6 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 136.1 | 166 | 0 | 0 | 0 | 0 | 0 | 105.9 | V29 E33 | V29-G31 PolarHBondContact O-N 2.04Å; G31-E33 PolarHBondContact O-N 2.89Å |
| 32 | S | 59.6 | Low | 66.8 | Low | 61 Ų | 61 | 91 Ų | 91 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -48 | 130.7 | 175.6 | 63.8 | 0 | 0 | 0 | 0 | 108.2 | V30 | V30-S32 PolarHBondContact O-N 2.03Š|
| 33 | E | 67.4 | Low | 68.8 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 140.7 | -179.7 | -165.5 | 177.1 | 167.8 | 0 | 0 | 109.5 | G31 R36 Q195 | G31-E33 PolarHBondContact O-N 2.89Å; E33-R36 IonicContact OE1-NE 3.27Å; E33-R36 PolarHBondContact OE1-NE 3.42Å; E33-Q195 VanDerWaalsContact O-CD 3.25Å; E33-Q195 PolarHBondContact O-NE2 2.97Å; E33-Q195 PolarHBondContact O-OE1 3.42Å |
| 34 | P | 78.1 | Confident | 70.8 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 148.3 | 179 | 24.5 | -34.6 | 0 | 0 | 0 | 110.9 | R36 Q195 | P34-R36 WeakPolarHBondContact O-CG 3.27Å; P34-R36 PolarHBondContact O-N 2.88Å; P34-Q195 PolarHBondContact O-NE2 3.29Å |
| 35 | I | 84.1 | Confident | 73.2 | Confident | 94 Ų | 94 | 88.6 Ų | 88.6 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.5 | 174.6 | -61.7 | 176 | 0 | 0 | 0 | 108.8 | I191 L225 | I35-I191 HydrophobicContact CD1-CG2 4.38Å; I35-L225 HydrophobicContact CG2-CD1 3.65Å; I35-L225 HydrophobicContact CG2-CD2 3.59Å; I35-L225 HydrophobicContact CG2-CG 4.3Å |
| 36 | R | 88.1 | Confident | 75.4 | Confident | 154 Ų | 154 | 86.4 Ų | 86.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | trans | -118.3 | 153.1 | 178.7 | -53.2 | -170 | -171.8 | -82.9 | 2.1 | 110.7 | E33 P34 | E33-R36 IonicContact OE1-NE 3.27Å; E33-R36 PolarHBondContact OE1-NE 3.42Å; P34-R36 WeakPolarHBondContact O-CG 3.27Å; P34-R36 PolarHBondContact O-N 2.88Å | ||
| 37 | C | 90.9 | Very high | 77.9 | Confident | 60 Ų | 60 | 90 Ų | 90 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62 | 146.5 | 169.2 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | C64 L225 | C37-C64 VanDerWaalsContact CA-SG 3.56Å; C37-C64 HydrophobicContact CB-CB 3.65Å; C37-C64 WeakPolarHBondContact CB-SG 3.06Å; C37-C64 WeakPolarHBondContact SG-CA 3.04Å; C37-C64 WeakPolarHBondContact SG-CB 3.35Å; C37-C64 CovalentContact SG-SG 2.04Å; C37-C64 PolarHBondContact SG-SG 2.6Å; C37-L225 CarbonylContact C-O 3.53Å; C37-L225 WeakPolarHBondContact CA-O 3.49Å |
| 38 | A | 90.6 | Very high | 80.3 | Confident | 18 Ų | 18 | 86.9 Ų | 86.9 | 15% | 0.149 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | T203 L225 D226 | A38-T203 HydrophobicContact CB-CG2 3.71Å; A38-L225 PolarHBondContact N-O 3.44Å; A38-D226 HydrophobicContact CB-CB 4.25Å |
| 39 | P | 91.4 | Very high | 82.5 | Confident | 92 Ų | 92 | 86.9 Ų | 86.9 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 146.8 | 174.8 | 27.1 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 40 | C | 92.4 | Very high | 84.6 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 24% | 0.243 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 130.1 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | L45 R60 C66 | C40-L45 HydrophobicContact CB-CD1 4.22Å; C40-L45 HydrophobicContact CB-CD2 4.1Å; C40-L45 HydrophobicContact CB-CG 4.06Å; C40-R60 PolarHBondContact SG-NH1 2.94Å; C40-R60 PolarHBondContact SG-NH2 3.06Å; C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 4.01Å; C40-C66 WeakPolarHBondContact CB-SG 3.28Å; C40-C66 WeakPolarHBondContact SG-CA 3.29Å; C40-C66 WeakPolarHBondContact SG-CB 3.38Å; C40-C66 CovalentContact SG-SG 2.04Å; C40-C66 PolarHBondContact SG-SG 2.79Å |
| 41 | T | 91.4 | Very high | 86.5 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 151.7 | 172 | 82.6 | 0 | 0 | 0 | 0 | 110.5 | E43 R44 L45 | T41-E43 WeakPolarHBondContact CB-OE2 3.34Å; T41-E43 PolarHBondContact O-N 2.79Å; T41-E43 PolarHBondContact OG1-OE2 3.1Å; T41-R44 WeakPolarHBondContact O-CB 3.31Å; T41-R44 PolarHBondContact O-N 3.22Å; T41-R44 PolarHBondContact OG1-N 2.04Å; T41-L45 PolarHBondContact O-N 2.83Å |
| 42 | P | 93.3 | Very high | 88 | Confident | 91 Ų | 91 | 82.9 Ų | 82.9 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.2 | -31.7 | 178 | 22.8 | -32.1 | 0 | 0 | 0 | 112.7 | R44 L45 S46 | P42-R44 VanDerWaalsContact C-N 3.28Å; P42-R44 PolarHBondContact O-N 3.11Å; P42-L45 PolarHBondContact O-N 3.25Å; P42-S46 PolarHBondContact O-N 3.41Å; P42-S46 PolarHBondContact O-OG 2.78Å |
| 43 | E | 92 | Very high | 89.3 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 176.2 | -56.4 | 73 | -157.3 | 0 | 0 | 112.2 | T41 S46 Q47 | T41-E43 WeakPolarHBondContact CB-OE2 3.34Å; T41-E43 PolarHBondContact O-N 2.79Å; T41-E43 PolarHBondContact OG1-OE2 3.1Å; E43-S46 PolarHBondContact O-OG 2.92Å; E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-NE2 3.4Å |
| 44 | R | 89.3 | Confident | 90.3 | Very high | 102 Ų | 102 | 84.8 Ų | 84.8 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.7 | -43 | 175.5 | -75.6 | -70.9 | -179.6 | 176.5 | -1.3 | 111.7 | T41 P42 S46 Q47 | T41-R44 WeakPolarHBondContact O-CB 3.31Å; T41-R44 PolarHBondContact O-N 3.22Å; T41-R44 PolarHBondContact OG1-N 2.04Å; P42-R44 VanDerWaalsContact C-N 3.28Å; P42-R44 PolarHBondContact O-N 3.11Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.97Å; R44-Q47 PolarHBondContact O-N 3.31Å |
| 45 | L | 92.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 82.9 Ų | 82.9 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 179.3 | -67.3 | 170.2 | 0 | 0 | 0 | 111.6 | C40 T41 P42 Q47 C48 C66 | C40-L45 HydrophobicContact CB-CD1 4.22Å; C40-L45 HydrophobicContact CB-CD2 4.1Å; C40-L45 HydrophobicContact CB-CG 4.06Å; T41-L45 PolarHBondContact O-N 2.83Å; P42-L45 PolarHBondContact O-N 3.25Å; L45-Q47 PolarHBondContact O-N 3.27Å; L45-C48 WeakPolarHBondContact O-CB 3.22Å; L45-C48 PolarHBondContact O-N 3.15Å; L45-C66 HydrophobicContact CD2-CB 4.35Å; L45-C66 WeakPolarHBondContact CD2-O 3.34Å |
| 46 | S | 92.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 83.2 Ų | 83.2 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.3 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | P42 E43 R44 | P42-S46 PolarHBondContact O-N 3.41Å; P42-S46 PolarHBondContact O-OG 2.78Å; E43-S46 PolarHBondContact O-OG 2.92Å; R44-S46 VanDerWaalsContact C-N 3.27Å; R44-S46 PolarHBondContact O-N 2.97Å |
| 47 | Q | 94.3 | Very high | 91.6 | Very high | 134 Ų | 134 | 78.5 Ų | 78.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -2 | 177.2 | -67.5 | 168.8 | 30.9 | 0 | 0 | 113.1 | E43 R44 L45 | E43-Q47 WeakPolarHBondContact O-CG 3.29Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; R44-Q47 PolarHBondContact O-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.27Å |
| 48 | C | 94.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 78.8 Ų | 78.8 | 24% | 0.243 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 137.2 | -176.6 | -73 | 0 | 0 | 0 | 0 | 111.9 | L45 C67 | L45-C48 WeakPolarHBondContact O-CB 3.22Å; L45-C48 PolarHBondContact O-N 3.15Å; C48-C67 WeakPolarHBondContact CA-SG 3.37Å; C48-C67 HydrophobicContact CB-CB 3.64Å; C48-C67 WeakPolarHBondContact CB-SG 2.96Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.13Å; C48-C67 CovalentContact SG-SG 2.04Å; C48-C67 PolarHBondContact SG-SG 2.77Å |
| 49 | P | 93.3 | Very high | 92 | Very high | 93 Ų | 93 | 80.4 Ų | 80.4 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 148.9 | 174.2 | 28.8 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 50 | A | 91.6 | Very high | 92.1 | Very high | 100 Ų | 100 | 81.1 Ų | 81.1 | 83% | 0.826 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 137 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 51 | V | 92.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 82.6 Ų | 82.6 | 29% | 0.285 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 139.2 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | C55 V58 L68 C70 | V51-C55 HydrophobicContact CG1-CB 3.96Å; V51-V58 HydrophobicContact CG1-CG1 4.45Å; V51-V58 HydrophobicContact CG1-CG2 4.18Å; V51-V58 HydrophobicContact CG2-CG1 4.01Å; V51-L68 HydrophobicContact CG2-CB 3.65Å; V51-C70 WeakPolarHBondContact CG1-SG 3.22Å |
| 52 | A | 87.9 | Confident | 92.2 | Very high | 64 Ų | 64 | 81.8 Ų | 81.8 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 53 | P | 87.1 | Confident | 92.1 | Very high | 135 Ų | 135 | 80.9 Ų | 80.9 | 88% | 0.877 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 141.7 | 177.2 | 28 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 54 | G | 87 | Confident | 92.1 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 88% | 0.876 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 11.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A56 | G54-A56 PolarHBondContact O-N 3.46Š|
| 55 | C | 91.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 23% | 0.23 | 48% | 0.475 | C | S | . | . | trans | -63 | 118.7 | 170.1 | -154.3 | 0 | 0 | 0 | 0 | 111 | V51 E57 V58 C70 | V51-C55 HydrophobicContact CG1-CB 3.96Å; C55-E57 PolarHBondContact SG-O 3.46Å; C55-V58 HydrophobicContact CB-CG2 4.04Å; C55-C70 HydrophobicContact CB-CB 4.39Å; C55-C70 WeakPolarHBondContact CB-SG 3.41Å; C55-C70 WeakPolarHBondContact SG-CA 3.43Å; C55-C70 WeakPolarHBondContact SG-CB 2.95Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.9Å | ||
| 56 | A | 91.4 | Very high | 92.3 | Very high | 101 Ų | 101 | 68.5 Ų | 68.5 | 84% | 0.835 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -70.3 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G54 | G54-A56 PolarHBondContact O-N 3.46Š|
| 57 | E | 95.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | trans | -144.1 | 131.9 | 179.8 | -178.3 | -179 | -178.6 | 0 | 0 | 109.3 | C55 L59 A71 G86 S87 | C55-E57 PolarHBondContact SG-O 3.46Å; E57-L59 HydrophobicContact CG-CD2 4.37Å; E57-L59 HydrophobicContact CG-CG 4.16Å; E57-A71 HydrophobicContact CB-CB 3.92Å; E57-A71 HydrophobicContact CG-CB 4.06Å; E57-A71 WeakPolarHBondContact O-CB 3.41Å; E57-A71 PolarHBondContact O-N 3.46Å; E57-G86 WeakPolarHBondContact OE2-CA 3.44Å; E57-S87 VanDerWaalsContact CD-N 3.34Å; E57-S87 WeakPolarHBondContact OE1-CB 3.02Å; E57-S87 PolarHBondContact OE1-N 3.04Å; E57-S87 VanDerWaalsContact OE1-N 3.11Å; E57-S87 PolarHBondContact OE1-OG 3.47Å; E57-S87 PolarHBondContact OE2-N 2.03Å | ||
| 58 | V | 95.6 | Very high | 92.3 | Very high | 67 Ų | 67 | 63 Ų | 63 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.6 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | V51 C55 L68 | V51-V58 HydrophobicContact CG1-CG1 4.45Å; V51-V58 HydrophobicContact CG1-CG2 4.18Å; V51-V58 HydrophobicContact CG2-CG1 4.01Å; C55-V58 HydrophobicContact CB-CG2 4.04Å; V58-L68 HydrophobicContact CG1-CB 3.65Å; V58-L68 HydrophobicContact CG1-CD1 3.89Å; V58-L68 HydrophobicContact CG1-CD2 4.34Å; V58-L68 HydrophobicContact CG1-CG 4.17Å |
| 59 | L | 95.3 | Very high | 92.3 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 166.4 | -179.2 | -68 | 177.2 | 0 | 0 | 0 | 110.2 | E57 L68 A69 A71 P84 C85 | E57-L59 HydrophobicContact CG-CD2 4.37Å; E57-L59 HydrophobicContact CG-CG 4.16Å; L59-L68 CarbonylContact O-C 3.51Å; L59-L68 WeakPolarHBondContact O-CA 2.97Å; L59-A69 PolarHBondContact N-O 2.95Å; L59-A69 PolarHBondContact O-N 2.93Å; L59-A69 VanDerWaalsContact O-O 3.09Å; L59-A71 HydrophobicContact CD1-CB 3.69Å; L59-A71 HydrophobicContact CG-CB 4.08Å; L59-P84 HydrophobicContact CB-CB 4.43Å; L59-P84 HydrophobicContact CB-CG 3.5Å; L59-P84 HydrophobicContact CD1-CB 4.01Å; L59-P84 HydrophobicContact CD1-CG 3.82Å; L59-P84 HydrophobicContact CG-CG 4.3Å; L59-C85 WeakPolarHBondContact CD1-O 3.15Å |
| 60 | R | 93.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 145 | 174.4 | -171.2 | 161.5 | 163.3 | 96.9 | 0.4 | 110.6 | C40 G65 C66 | C40-R60 PolarHBondContact SG-NH1 2.94Å; C40-R60 PolarHBondContact SG-NH2 3.06Å; R60-G65 PolarHBondContact NE-O 3.34Å; R60-G65 PolarHBondContact NH2-O 3.39Å; R60-C66 VanDerWaalsContact NH1-CA 3.33Å; R60-C66 PolarHBondContact NH1-O 2.95Å |
| 61 | E | 93.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 152.8 | 174.1 | -78.3 | 178.2 | 152.7 | 0 | 0 | 112.8 | C67 A69 | E61-C67 HydrophobicContact CG-CB 4.34Å; E61-C67 WeakPolarHBondContact CG-O 3.3Å; E61-C67 PolarHBondContact N-O 3.22Å; E61-C67 WeakPolarHBondContact OE2-CB 3.48Å; E61-C67 PolarHBondContact OE2-N 3.37Å; E61-A69 HydrophobicContact CG-CB 4.11Å |
| 62 | P | 91.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -62 | 157 | 178.8 | 30.7 | -40.8 | 0 | 0 | 0 | 112.8 | C64 G65 T82 | P62-C64 PolarHBondContact O-N 2.79Å; P62-G65 PolarHBondContact O-N 3.11Å; P62-T82 WeakPolarHBondContact CG-O 3.37Å |
| 63 | G | 91.4 | Very high | 93.3 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 73% | 0.732 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -125.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 64 | C | 92.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 16.7 | 179.5 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | C37 P62 L225 G227 | C37-C64 VanDerWaalsContact CA-SG 3.56Å; C37-C64 HydrophobicContact CB-CB 3.65Å; C37-C64 WeakPolarHBondContact CB-SG 3.06Å; C37-C64 WeakPolarHBondContact SG-CA 3.04Å; C37-C64 WeakPolarHBondContact SG-CB 3.35Å; C37-C64 CovalentContact SG-SG 2.04Å; C37-C64 PolarHBondContact SG-SG 2.6Å; P62-C64 PolarHBondContact O-N 2.79Å; C64-L225 VanDerWaalsContact CB-O 3.23Å; C64-L225 WeakPolarHBondContact CB-O 3.05Å; C64-L225 PolarHBondContact SG-O 2.91Å; C64-L225 VanDerWaalsContact SG-O 3.32Å; C64-G227 WeakPolarHBondContact O-CA 3.41Å; C64-G227 PolarHBondContact O-N 3.33Å |
| 65 | G | 91.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | trans | -60.1 | 137.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R60 P62 | R60-G65 PolarHBondContact NE-O 3.34Å; R60-G65 PolarHBondContact NH2-O 3.39Å; P62-G65 PolarHBondContact O-N 3.11Å | ||
| 66 | C | 94 | Very high | 94.4 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | trans | -87.6 | -18.8 | -177.3 | -79.4 | 0 | 0 | 0 | 0 | 114.4 | C40 L45 R60 | C40-C66 VanDerWaalsContact CA-SG 3.55Å; C40-C66 HydrophobicContact CB-CB 4.01Å; C40-C66 WeakPolarHBondContact CB-SG 3.28Å; C40-C66 WeakPolarHBondContact SG-CA 3.29Å; C40-C66 WeakPolarHBondContact SG-CB 3.38Å; C40-C66 CovalentContact SG-SG 2.04Å; C40-C66 PolarHBondContact SG-SG 2.79Å; L45-C66 HydrophobicContact CD2-CB 4.35Å; L45-C66 WeakPolarHBondContact CD2-O 3.34Å; R60-C66 VanDerWaalsContact NH1-CA 3.33Å; R60-C66 PolarHBondContact NH1-O 2.95Å | ||
| 67 | C | 94.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -93.3 | 176.7 | -171.4 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | C48 E61 | C48-C67 WeakPolarHBondContact CA-SG 3.37Å; C48-C67 HydrophobicContact CB-CB 3.64Å; C48-C67 WeakPolarHBondContact CB-SG 2.96Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.13Å; C48-C67 CovalentContact SG-SG 2.04Å; C48-C67 PolarHBondContact SG-SG 2.77Å; E61-C67 HydrophobicContact CG-CB 4.34Å; E61-C67 WeakPolarHBondContact CG-O 3.3Å; E61-C67 PolarHBondContact N-O 3.22Å; E61-C67 WeakPolarHBondContact OE2-CB 3.48Å; E61-C67 PolarHBondContact OE2-N 3.37Å |
| 68 | L | 94.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.8 | 179.5 | -61.7 | 177 | 0 | 0 | 0 | 109.6 | V51 V58 L59 | V51-L68 HydrophobicContact CG2-CB 3.65Å; V58-L68 HydrophobicContact CG1-CB 3.65Å; V58-L68 HydrophobicContact CG1-CD1 3.89Å; V58-L68 HydrophobicContact CG1-CD2 4.34Å; V58-L68 HydrophobicContact CG1-CG 4.17Å; L59-L68 CarbonylContact O-C 3.51Å; L59-L68 WeakPolarHBondContact O-CA 2.97Å |
| 69 | A | 94.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 51 Ų | 51 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L59 E61 A83 | L59-A69 PolarHBondContact N-O 2.95Å; L59-A69 PolarHBondContact O-N 2.93Å; L59-A69 VanDerWaalsContact O-O 3.09Å; E61-A69 HydrophobicContact CG-CB 4.11Å; A69-A83 HydrophobicContact CB-CB 4.48Å |
| 70 | C | 95.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.3 | 171.5 | -77.7 | 0 | 0 | 0 | 0 | 111.4 | V51 C55 A83 | V51-C70 WeakPolarHBondContact CG1-SG 3.22Å; C55-C70 HydrophobicContact CB-CB 4.39Å; C55-C70 WeakPolarHBondContact CB-SG 3.41Å; C55-C70 WeakPolarHBondContact SG-CA 3.43Å; C55-C70 WeakPolarHBondContact SG-CB 2.95Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.9Å; C70-A83 WeakPolarHBondContact O-CB 2.99Å |
| 71 | A | 96.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 140.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E57 L59 P84 | E57-A71 HydrophobicContact CB-CB 3.92Å; E57-A71 HydrophobicContact CG-CB 4.06Å; E57-A71 WeakPolarHBondContact O-CB 3.41Å; E57-A71 PolarHBondContact O-N 3.46Å; L59-A71 HydrophobicContact CD1-CB 3.69Å; L59-A71 HydrophobicContact CG-CB 4.08Å; A71-P84 CarbonylContact C-O 3.51Å; A71-P84 VanDerWaalsContact CA-O 3.28Å; A71-P84 WeakPolarHBondContact CA-O 3.36Å |
| 72 | L | 96.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 143.6 | 175.5 | -61.7 | 176.8 | 0 | 0 | 0 | 111.2 | E76 L77 C78 A83 P84 G86 C111 | L72-E76 WeakPolarHBondContact CA-OE2 3.39Å; L72-E76 HydrophobicContact CB-CB 4.25Å; L72-E76 WeakPolarHBondContact CB-OE2 3.37Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.33Å; L72-L77 WeakPolarHBondContact CD1-O 3.4Å; L72-C78 HydrophobicContact CD1-CB 3.68Å; L72-A83 HydrophobicContact CD1-CB 4.42Å; L72-A83 WeakPolarHBondContact CD1-O 3.48Å; L72-A83 HydrophobicContact CD2-CB 4.12Å; L72-A83 HydrophobicContact CG-CB 3.96Å; L72-P84 PolarHBondContact N-O 3.24Å; L72-G86 PolarHBondContact O-N 3.31Å; L72-C111 VanDerWaalsContact CB-SG 3.56Å |
| 73 | K | 96.3 | Very high | 95.1 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 164.8 | 179.7 | -62.4 | 173.4 | -175.7 | 171.3 | 0 | 111.5 | G75 E76 C111 | K73-G75 PolarHBondContact O-N 2.88Å; K73-E76 HydrophobicContact CB-CG 4.16Å; K73-E76 PolarHBondContact N-OE2 2.73Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.34Å; K73-E76 VanDerWaalsContact O-N 3.12Å; K73-C111 WeakPolarHBondContact O-CB 3.33Å |
| 74 | A | 96.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | E76 L89 | A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.2Å; A74-L89 HydrophobicContact CB-CD1 4.07Å; A74-L89 HydrophobicContact CB-CD2 3.95Å; A74-L89 VanDerWaalsContact N-CD1 3.35Å |
| 75 | G | 96 | Very high | 95.5 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -10.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K73 C111 | K73-G75 PolarHBondContact O-N 2.88Å; G75-C111 PolarHBondContact N-O 3.4Å |
| 76 | E | 97.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | trans | -70.3 | 152.4 | 175.3 | -69.5 | -174.1 | 156.9 | 0 | 0 | 111.9 | L72 K73 A74 V110 C111 | L72-E76 WeakPolarHBondContact CA-OE2 3.39Å; L72-E76 HydrophobicContact CB-CB 4.25Å; L72-E76 WeakPolarHBondContact CB-OE2 3.37Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.33Å; K73-E76 HydrophobicContact CB-CG 4.16Å; K73-E76 PolarHBondContact N-OE2 2.73Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.34Å; K73-E76 VanDerWaalsContact O-N 3.12Å; A74-E76 VanDerWaalsContact C-N 3.3Å; A74-E76 PolarHBondContact O-N 3.2Å; E76-V110 WeakPolarHBondContact O-CA 3.38Å; E76-C111 PolarHBondContact O-N 2.87Å | ||
| 77 | L | 97.9 | Very high | 95.8 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.7 | 178.2 | -69.5 | -179.6 | 0 | 0 | 0 | 110.7 | L72 A109 V110 | L72-L77 WeakPolarHBondContact CD1-O 3.4Å; L77-A109 CarbonylContact C-O 3.56Å; L77-A109 VanDerWaalsContact CA-O 3.3Å; L77-A109 WeakPolarHBondContact CA-O 3.13Å; L77-V110 HydrophobicContact CD2-CG1 4.13Å |
| 78 | C | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 166.8 | -176.3 | 69 | 0 | 0 | 0 | 0 | 111.6 | L72 T82 C91 G107 Q108 A109 V110 | L72-C78 HydrophobicContact CD1-CB 3.68Å; C78-T82 WeakPolarHBondContact CA-OG1 3.01Å; C78-C91 HydrophobicContact CB-CB 3.9Å; C78-C91 WeakPolarHBondContact CB-SG 3.21Å; C78-C91 WeakPolarHBondContact SG-CA 3.34Å; C78-C91 WeakPolarHBondContact SG-CB 3.02Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.04Å; C78-G107 CarbonylContact O-C 3.07Å; C78-G107 VanDerWaalsContact O-CA 3.22Å; C78-G107 WeakPolarHBondContact O-CA 3.46Å; C78-Q108 PolarHBondContact O-N 3.32Å; C78-A109 PolarHBondContact N-O 3.18Å; C78-A109 WeakPolarHBondContact O-CB 3.33Å; C78-A109 PolarHBondContact O-N 2.95Å; C78-A109 VanDerWaalsContact O-N 3.08Å; C78-A109 VanDerWaalsContact SG-C 3.55Å; C78-V110 PolarHBondContact SG-N 2.9Å |
| 79 | G | 96.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | trans | -172.9 | -172.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y81 T82 C91 L104 | G79-Y81 VanDerWaalsContact C-N 3.25Å; G79-Y81 PolarHBondContact O-N 2.97Å; G79-T82 PolarHBondContact N-OG1 3.24Å; G79-T82 PolarHBondContact O-N 2.9Å; G79-T82 PolarHBondContact O-OG1 2.05Å; G79-T82 VanDerWaalsContact O-OG1 3.1Å; G79-C91 PolarHBondContact N-SG 2.04Å; G79-C91 VanDerWaalsContact N-SG 3.37Å; G79-L104 CarbonylContact C-O 3.45Å; G79-L104 WeakPolarHBondContact CA-O 3.15Å | ||
| 80 | I | 94.7 | Very high | 96 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.4 | -176.5 | -59.6 | 176.5 | 0 | 0 | 0 | 111.8 | L104 T105 | I80-L104 HydrophobicContact CD1-CB 4.29Å; I80-L104 HydrophobicContact CG1-CB 4.13Å; I80-L104 PolarHBondContact N-O 3.49Å; I80-T105 HydrophobicContact CD1-CG2 3.74Å |
| 81 | Y | 92.2 | Very high | 96.1 | Very high | 185 Ų | 185 | 60.1 Ų | 60.1 | 73% | 0.725 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 11.3 | -177.2 | -54.6 | -67.1 | 0 | 0 | 0 | 113.3 | G79 | G79-Y81 VanDerWaalsContact C-N 3.25Å; G79-Y81 PolarHBondContact O-N 2.97Å |
| 82 | T | 95 | Very high | 96.1 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -96.9 | 171.2 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | P62 C78 G79 | P62-T82 WeakPolarHBondContact CG-O 3.37Å; C78-T82 WeakPolarHBondContact CA-OG1 3.01Å; G79-T82 PolarHBondContact N-OG1 3.24Å; G79-T82 PolarHBondContact O-N 2.9Å; G79-T82 PolarHBondContact O-OG1 2.05Å; G79-T82 VanDerWaalsContact O-OG1 3.1Å |
| 83 | A | 95.1 | Very high | 96.1 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 148.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A69 C70 L72 | A69-A83 HydrophobicContact CB-CB 4.48Å; C70-A83 WeakPolarHBondContact O-CB 2.99Å; L72-A83 HydrophobicContact CD1-CB 4.42Å; L72-A83 WeakPolarHBondContact CD1-O 3.48Å; L72-A83 HydrophobicContact CD2-CB 4.12Å; L72-A83 HydrophobicContact CG-CB 3.96Å |
| 84 | P | 96.1 | Very high | 96 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 151 | -179.8 | 30.1 | -36.6 | 0 | 0 | 0 | 111.3 | L59 A71 L72 | L59-P84 HydrophobicContact CB-CB 4.43Å; L59-P84 HydrophobicContact CB-CG 3.5Å; L59-P84 HydrophobicContact CD1-CB 4.01Å; L59-P84 HydrophobicContact CD1-CG 3.82Å; L59-P84 HydrophobicContact CG-CG 4.3Å; A71-P84 CarbonylContact C-O 3.51Å; A71-P84 VanDerWaalsContact CA-O 3.28Å; A71-P84 WeakPolarHBondContact CA-O 3.36Å; L72-P84 PolarHBondContact N-O 3.24Å |
| 85 | C | 97 | Very high | 95.9 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 149.3 | 168.3 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | L59 L89 C111 | L59-C85 WeakPolarHBondContact CD1-O 3.15Å; C85-L89 HydrophobicContact CB-CB 3.69Å; C85-C111 HydrophobicContact CB-CB 3.78Å; C85-C111 WeakPolarHBondContact CB-SG 3.45Å; C85-C111 WeakPolarHBondContact SG-CA 3.39Å; C85-C111 WeakPolarHBondContact SG-CB 3.33Å; C85-C111 CovalentContact SG-SG 2.04Å; C85-C111 PolarHBondContact SG-SG 2.77Å |
| 86 | G | 96.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 173.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E57 L72 G88 L89 | E57-G86 WeakPolarHBondContact OE2-CA 3.44Å; L72-G86 PolarHBondContact O-N 3.31Å; G86-G88 PolarHBondContact O-N 2.81Å; G86-L89 VanDerWaalsContact O-CB 3.29Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 2.85Å |
| 87 | S | 94.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 69% | 0.685 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 131.1 | 179.9 | -77.1 | 0 | 0 | 0 | 0 | 112.3 | E57 L89 | E57-S87 VanDerWaalsContact CD-N 3.34Å; E57-S87 WeakPolarHBondContact OE1-CB 3.02Å; E57-S87 PolarHBondContact OE1-N 3.04Å; E57-S87 VanDerWaalsContact OE1-N 3.11Å; E57-S87 PolarHBondContact OE1-OG 3.47Å; E57-S87 PolarHBondContact OE2-N 2.03Å; S87-L89 VanDerWaalsContact C-N 3.25Å; S87-L89 PolarHBondContact O-N 3.1Å |
| 88 | G | 94.7 | Very high | 95.5 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 59% | 0.588 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -3.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G86 S114 | G86-G88 PolarHBondContact O-N 2.81Å; G88-S114 WeakPolarHBondContact O-CB 3.07Å; G88-S114 PolarHBondContact O-N 3.47Å; G88-S114 PolarHBondContact O-OG 2.94Å |
| 89 | L | 96.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.183 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 150.1 | 178.6 | -55.6 | 173.2 | 0 | 0 | 0 | 111.4 | A74 C85 G86 S87 C111 T112 E113 | A74-L89 HydrophobicContact CB-CD1 4.07Å; A74-L89 HydrophobicContact CB-CD2 3.95Å; A74-L89 VanDerWaalsContact N-CD1 3.35Å; C85-L89 HydrophobicContact CB-CB 3.69Å; G86-L89 VanDerWaalsContact O-CB 3.29Å; G86-L89 WeakPolarHBondContact O-CB 3.41Å; G86-L89 PolarHBondContact O-N 2.85Å; S87-L89 VanDerWaalsContact C-N 3.25Å; S87-L89 PolarHBondContact O-N 3.1Å; L89-C111 HydrophobicContact CB-CB 4.36Å; L89-C111 HydrophobicContact CD1-CB 4.24Å; L89-T112 CarbonylContact C-O 3.53Å; L89-T112 VanDerWaalsContact CA-O 3.31Å; L89-T112 WeakPolarHBondContact CA-O 3.48Å; L89-E113 HydrophobicContact CD2-CG 4.12Å |
| 90 | R | 96.2 | Very high | 95.4 | Very high | 126 Ų | 126 | 74 Ų | 74 | 48% | 0.475 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.5 | 173.3 | 55.7 | 176.2 | -150.9 | -161 | 11.6 | 110 | T92 T112 S114 | R90-T92 HydrophobicContact CB-CG2 4.49Å; R90-T92 HydrophobicContact CG-CG2 3.76Å; R90-T92 VanDerWaalsContact NE-CG2 3.26Å; R90-T92 PolarHBondContact O-N 3.41Å; R90-T112 PolarHBondContact N-O 3.32Å; R90-T112 PolarHBondContact O-N 2.79Å; R90-T112 PolarHBondContact O-OG1 3.31Å; R90-S114 WeakPolarHBondContact CB-OG 3.38Å; R90-S114 WeakPolarHBondContact CG-OG 3.41Å |
| 91 | C | 97.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 28% | 0.277 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 109 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | C78 G79 A109 | C78-C91 HydrophobicContact CB-CB 3.9Å; C78-C91 WeakPolarHBondContact CB-SG 3.21Å; C78-C91 WeakPolarHBondContact SG-CA 3.34Å; C78-C91 WeakPolarHBondContact SG-CB 3.02Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.04Å; G79-C91 PolarHBondContact N-SG 2.04Å; G79-C91 VanDerWaalsContact N-SG 3.37Å; C91-A109 VanDerWaalsContact SG-CB 3.59Å |
| 92 | T | 97.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 17% | 0.166 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.9 | -178.7 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | R90 A109 V110 T112 | R90-T92 HydrophobicContact CB-CG2 4.49Å; R90-T92 HydrophobicContact CG-CG2 3.76Å; R90-T92 VanDerWaalsContact NE-CG2 3.26Å; R90-T92 PolarHBondContact O-N 3.41Å; T92-A109 VanDerWaalsContact O-CB 3.32Å; T92-A109 WeakPolarHBondContact O-CB 3.4Å; T92-V110 PolarHBondContact N-O 3.48Å; T92-V110 PolarHBondContact O-N 3.02Å; T92-T112 VanDerWaalsContact OG1-CG2 3.27Å; T92-T112 WeakPolarHBondContact OG1-CG2 3.3Å; T92-T112 PolarHBondContact OG1-OG1 3.02Å |
| 93 | P | 97.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 151.9 | 166 | -22.5 | 33.8 | 0 | 0 | 0 | 111.1 | D97 P100 L104 | P93-D97 HydrophobicContact CB-CB 4.33Å; P93-P100 HydrophobicContact CB-CB 3.88Å; P93-P100 HydrophobicContact CG-CB 3.69Å; P93-L104 HydrophobicContact CG-CD1 3.82Å; P93-L104 HydrophobicContact CG-CG 3.91Å |
| 94 | R | 94.9 | Very high | 95.8 | Very high | 136 Ų | 136 | 69.4 Ų | 69.4 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.8 | 177.7 | -65.2 | 175.1 | -173.5 | -93 | -2.2 | 110.2 | G96 D97 V110 | R94-G96 PolarHBondContact O-N 3.35Å; R94-D97 VanDerWaalsContact O-CB 3.24Å; R94-D97 WeakPolarHBondContact O-CB 3.09Å; R94-D97 PolarHBondContact O-N 3.18Å; R94-D97 VanDerWaalsContact O-N 3.08Å; R94-V110 HydrophobicContact CG-CG2 4.22Å |
| 95 | P | 93.1 | Very high | 95.7 | Very high | 138 Ų | 138 | 70.7 Ų | 70.7 | 90% | 0.896 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.5 | 173.5 | -25.3 | 34.3 | 0 | 0 | 0 | 111.2 | ||
| 96 | G | 93 | Very high | 95.7 | Very high | 83 Ų | 83 | 77.9 Ų | 77.9 | 86% | 0.856 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 9.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R94 P98 | R94-G96 PolarHBondContact O-N 3.35Å; G96-P98 WeakPolarHBondContact O-CD 3.01Å |
| 97 | D | 94.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 78.2 Ų | 78.2 | 19% | 0.193 | 44% | 0.441 | C | S | . | . | trans | -61.9 | 121.6 | 176.2 | -171.8 | -24.5 | 0 | 0 | 0 | 111.3 | P93 R94 R99 P100 S103 | P93-D97 HydrophobicContact CB-CB 4.33Å; R94-D97 VanDerWaalsContact O-CB 3.24Å; R94-D97 WeakPolarHBondContact O-CB 3.09Å; R94-D97 PolarHBondContact O-N 3.18Å; R94-D97 VanDerWaalsContact O-N 3.08Å; D97-R99 PolarHBondContact O-N 3.34Å; D97-R99 PolarHBondContact OD1-N 3.01Å; D97-P100 WeakPolarHBondContact O-CD 3.33Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å; D97-S103 WeakPolarHBondContact OD2-CB 3.42Å; D97-S103 PolarHBondContact OD2-OG 3.17Å | ||
| 98 | P | 95.8 | Very high | 95.9 | Very high | 120 Ų | 120 | 78.4 Ų | 78.4 | 78% | 0.779 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -70.4 | -16 | -179.1 | 29.8 | -36.8 | 0 | 0 | 0 | 113.3 | G96 | G96-P98 WeakPolarHBondContact O-CD 3.01Š|
| 99 | R | 95.9 | Very high | 96 | Very high | 160 Ų | 160 | 75.7 Ų | 75.7 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | trans | -137.5 | 67.8 | -179.7 | -60.8 | -176.2 | -65.4 | -174 | -0.6 | 111.9 | D97 L101 H102 S103 | D97-R99 PolarHBondContact O-N 3.34Å; D97-R99 PolarHBondContact OD1-N 3.01Å; R99-L101 PolarHBondContact O-N 2.91Å; R99-H102 HydrophobicContact CB-CB 3.73Å; R99-H102 WeakPolarHBondContact O-CA 3.09Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 3.21Å; R99-S103 PolarHBondContact O-N 3.06Å; R99-S103 VanDerWaalsContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.89Å | ||
| 100 | P | 96.3 | Very high | 96 | Very high | 61 Ų | 61 | 74.7 Ų | 74.7 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | -171.8 | -25.9 | 35.2 | 0 | 0 | 0 | 114.4 | P93 D97 H102 S103 L104 | P93-P100 HydrophobicContact CB-CB 3.88Å; P93-P100 HydrophobicContact CG-CB 3.69Å; D97-P100 WeakPolarHBondContact O-CD 3.33Å; D97-P100 WeakPolarHBondContact O-CG 3.48Å; P100-H102 VanDerWaalsContact C-N 3.32Å; P100-H102 PolarHBondContact O-N 3.27Å; P100-S103 PolarHBondContact O-N 2.94Å; P100-L104 PolarHBondContact O-N 2.94Å; P100-L104 VanDerWaalsContact O-N 3.15Å |
| 101 | L | 96.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 68.9 Ų | 68.9 | 71% | 0.707 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68 | -32.2 | 178.3 | -62.8 | 178.7 | 0 | 0 | 0 | 112.6 | R99 T105 | R99-L101 PolarHBondContact O-N 2.91Å; L101-T105 WeakPolarHBondContact O-CG2 3.5Å; L101-T105 PolarHBondContact O-N 3.05Å; L101-T105 PolarHBondContact O-OG1 2.99Å |
| 102 | H | 95.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 69 Ų | 69 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 176.6 | -170.2 | 78 | 0 | 0 | 0 | 110.6 | R99 P100 L104 T105 R106 | R99-H102 HydrophobicContact CB-CB 3.73Å; R99-H102 WeakPolarHBondContact O-CA 3.09Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 3.21Å; P100-H102 VanDerWaalsContact C-N 3.32Å; P100-H102 PolarHBondContact O-N 3.27Å; H102-L104 PolarHBondContact O-N 2.81Å; H102-T105 WeakPolarHBondContact CA-OG1 3.24Å; H102-T105 PolarHBondContact O-N 2.88Å; H102-T105 PolarHBondContact O-OG1 3.22Å; H102-R106 WeakPolarHBondContact O-CB 3.39Å; H102-R106 VanDerWaalsContact O-CG 3.29Å; H102-R106 WeakPolarHBondContact O-CG 3.34Å; H102-R106 PolarHBondContact O-N 2.9Å |
| 103 | S | 96.5 | Very high | 96 | Very high | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 112 | D97 R99 P100 R106 G107 Q108 | D97-S103 WeakPolarHBondContact OD2-CB 3.42Å; D97-S103 PolarHBondContact OD2-OG 3.17Å; R99-S103 PolarHBondContact O-N 3.06Å; R99-S103 VanDerWaalsContact O-N 3.11Å; R99-S103 PolarHBondContact O-OG 2.89Å; P100-S103 PolarHBondContact O-N 2.94Å; S103-R106 PolarHBondContact O-N 2.84Å; S103-G107 PolarHBondContact O-N 3.13Å; S103-G107 VanDerWaalsContact O-N 3.13Å; S103-Q108 PolarHBondContact O-N 2.95Å |
| 104 | L | 97 | Very high | 95.4 | Very high | 32 Ų | 32 | 76.4 Ų | 76.4 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 173.6 | -76.5 | 163.5 | 0 | 0 | 0 | 112.8 | G79 I80 P93 P100 H102 R106 G107 A109 | G79-L104 CarbonylContact C-O 3.45Å; G79-L104 WeakPolarHBondContact CA-O 3.15Å; I80-L104 HydrophobicContact CD1-CB 4.29Å; I80-L104 HydrophobicContact CG1-CB 4.13Å; I80-L104 PolarHBondContact N-O 3.49Å; P93-L104 HydrophobicContact CG-CD1 3.82Å; P93-L104 HydrophobicContact CG-CG 3.91Å; P100-L104 PolarHBondContact O-N 2.94Å; P100-L104 VanDerWaalsContact O-N 3.15Å; H102-L104 PolarHBondContact O-N 2.81Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.33Å; L104-G107 PolarHBondContact O-N 2.04Å; L104-A109 HydrophobicContact CD2-CB 3.64Å; L104-A109 HydrophobicContact CG-CB 4.18Å |
| 105 | T | 95.4 | Very high | 94.2 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.4 | -26 | 178.9 | 49 | 0 | 0 | 0 | 0 | 112.8 | I80 L101 H102 | I80-T105 HydrophobicContact CD1-CG2 3.74Å; L101-T105 WeakPolarHBondContact O-CG2 3.5Å; L101-T105 PolarHBondContact O-N 3.05Å; L101-T105 PolarHBondContact O-OG1 2.99Å; H102-T105 WeakPolarHBondContact CA-OG1 3.24Å; H102-T105 PolarHBondContact O-N 2.88Å; H102-T105 PolarHBondContact O-OG1 3.22Å |
| 106 | R | 96 | Very high | 92.3 | Very high | 168 Ų | 168 | 70.7 Ų | 70.7 | 63% | 0.634 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -0.4 | 178 | -67.2 | -64.3 | -167.8 | -167 | 1.7 | 114.8 | H102 S103 L104 Q108 | H102-R106 WeakPolarHBondContact O-CB 3.39Å; H102-R106 VanDerWaalsContact O-CG 3.29Å; H102-R106 WeakPolarHBondContact O-CG 3.34Å; H102-R106 PolarHBondContact O-N 2.9Å; S103-R106 PolarHBondContact O-N 2.84Å; L104-R106 VanDerWaalsContact C-N 3.27Å; L104-R106 PolarHBondContact O-N 3.33Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; R106-Q108 HydrophobicContact CB-CG 3.96Å |
| 107 | G | 96.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 73 Ų | 73 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 26.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C78 S103 L104 | C78-G107 CarbonylContact O-C 3.07Å; C78-G107 VanDerWaalsContact O-CA 3.22Å; C78-G107 WeakPolarHBondContact O-CA 3.46Å; S103-G107 PolarHBondContact O-N 3.13Å; S103-G107 VanDerWaalsContact O-N 3.13Å; L104-G107 PolarHBondContact O-N 2.04Å |
| 108 | Q | 97.4 | Very high | 87.4 | Confident | 101 Ų | 101 | 75 Ų | 75 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | trans | -105.9 | -1.6 | -175.9 | -64.2 | 175.1 | -6 | 0 | 0 | 113.1 | C78 S103 R106 | C78-Q108 PolarHBondContact O-N 3.32Å; S103-Q108 PolarHBondContact O-N 2.95Å; R106-Q108 VanDerWaalsContact C-N 3.33Å; R106-Q108 HydrophobicContact CB-CG 3.96Å | ||
| 109 | A | 97.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 174.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L77 C78 C91 T92 L104 | L77-A109 CarbonylContact C-O 3.56Å; L77-A109 VanDerWaalsContact CA-O 3.3Å; L77-A109 WeakPolarHBondContact CA-O 3.13Å; C78-A109 PolarHBondContact N-O 3.18Å; C78-A109 WeakPolarHBondContact O-CB 3.33Å; C78-A109 PolarHBondContact O-N 2.95Å; C78-A109 VanDerWaalsContact O-N 3.08Å; C78-A109 VanDerWaalsContact SG-C 3.55Å; C91-A109 VanDerWaalsContact SG-CB 3.59Å; T92-A109 VanDerWaalsContact O-CB 3.32Å; T92-A109 WeakPolarHBondContact O-CB 3.4Å; L104-A109 HydrophobicContact CD2-CB 3.64Å; L104-A109 HydrophobicContact CG-CB 4.18Å |
| 110 | V | 97.8 | Very high | 81.9 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.8 | -176.9 | -74.6 | 0 | 0 | 0 | 0 | 111.9 | E76 L77 C78 T92 R94 T112 | E76-V110 WeakPolarHBondContact O-CA 3.38Å; L77-V110 HydrophobicContact CD2-CG1 4.13Å; C78-V110 PolarHBondContact SG-N 2.9Å; T92-V110 PolarHBondContact N-O 3.48Å; T92-V110 PolarHBondContact O-N 3.02Å; R94-V110 HydrophobicContact CG-CG2 4.22Å; V110-T112 HydrophobicContact CG2-CG2 3.9Å; V110-T112 PolarHBondContact O-N 3.22Å |
| 111 | C | 97.8 | Very high | 79.3 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.02 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 110.2 | 172.4 | -67.2 | 0 | 0 | 0 | 0 | 110 | L72 K73 G75 E76 C85 L89 | L72-C111 VanDerWaalsContact CB-SG 3.56Å; K73-C111 WeakPolarHBondContact O-CB 3.33Å; G75-C111 PolarHBondContact N-O 3.4Å; E76-C111 PolarHBondContact O-N 2.87Å; C85-C111 HydrophobicContact CB-CB 3.78Å; C85-C111 WeakPolarHBondContact CB-SG 3.45Å; C85-C111 WeakPolarHBondContact SG-CA 3.39Å; C85-C111 WeakPolarHBondContact SG-CB 3.33Å; C85-C111 CovalentContact SG-SG 2.04Å; C85-C111 PolarHBondContact SG-SG 2.77Å; L89-C111 HydrophobicContact CB-CB 4.36Å; L89-C111 HydrophobicContact CD1-CB 4.24Å |
| 112 | T | 96.5 | Very high | 76.3 | Confident | 44 Ų | 44 | 78.1 Ų | 78.1 | 27% | 0.27 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.3 | -178.4 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | L89 R90 T92 V110 S114 | L89-T112 CarbonylContact C-O 3.53Å; L89-T112 VanDerWaalsContact CA-O 3.31Å; L89-T112 WeakPolarHBondContact CA-O 3.48Å; R90-T112 PolarHBondContact N-O 3.32Å; R90-T112 PolarHBondContact O-N 2.79Å; R90-T112 PolarHBondContact O-OG1 3.31Å; T92-T112 VanDerWaalsContact OG1-CG2 3.27Å; T92-T112 WeakPolarHBondContact OG1-CG2 3.3Å; T92-T112 PolarHBondContact OG1-OG1 3.02Å; V110-T112 HydrophobicContact CG2-CG2 3.9Å; V110-T112 PolarHBondContact O-N 3.22Å; T112-S114 PolarHBondContact O-N 2.04Å |
| 113 | E | 94.8 | Very high | 73.6 | Confident | 163 Ų | 163 | 80.3 Ų | 80.3 | 76% | 0.762 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 130.8 | 171.9 | -68.4 | -179.2 | 177.7 | 0 | 0 | 111.2 | L89 A115 | L89-E113 HydrophobicContact CD2-CG 4.12Å; E113-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact O-N 3.11Å |
| 114 | S | 84.3 | Confident | 70.6 | Confident | 55 Ų | 55 | 88.4 Ų | 88.4 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | trans | -72.4 | 104.6 | 172.2 | -61 | 0 | 0 | 0 | 0 | 107.2 | G88 R90 T112 A116 | G88-S114 WeakPolarHBondContact O-CB 3.07Å; G88-S114 PolarHBondContact O-N 3.47Å; G88-S114 PolarHBondContact O-OG 2.94Å; R90-S114 WeakPolarHBondContact CB-OG 3.38Å; R90-S114 WeakPolarHBondContact CG-OG 3.41Å; T112-S114 PolarHBondContact O-N 2.04Å; S114-A116 PolarHBondContact O-N 2.8Å | ||
| 115 | A | 69.8 | Low | 67.4 | Low | 72 Ų | 72 | 93.1 Ų | 93.1 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | trans | -52.9 | 128 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | E113 | E113-A115 PolarHBondContact O-N 3.22Å; E113-A115 VanDerWaalsContact O-N 3.11Å | ||
| 116 | A | 54.8 | Low | 64.5 | Low | 82 Ų | 82 | 97.7 Ų | 97.7 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | trans | -48.7 | 147.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S114 A118 | S114-A116 PolarHBondContact O-N 2.8Å; A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.41Å | ||
| 117 | P | 45.2 | Very low | 61.5 | Low | 131 Ų | 131 | 96.9 Ų | 96.9 | 85% | 0.851 | 57% | 0.572 | S | S | * | * | trans | -57.3 | 101.5 | 179.3 | 13.4 | -18.2 | 0 | 0 | 0 | 109.1 | ||||
| 118 | A | 39.4 | Very low | 58.4 | Low | 77 Ų | 77 | 104.7 Ų | 104.7 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -64.4 | 135.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106 | A116 T120 | A116-A118 VanDerWaalsContact C-N 3.34Å; A116-A118 PolarHBondContact O-N 3.41Å; A118-T120 PolarHBondContact O-N 2.94Å | ||
| 119 | P | 39.6 | Very low | 55.4 | Low | 123 Ų | 123 | 102.7 Ų | 102.7 | 80% | 0.799 | 61% | 0.611 | S | S | * | * | trans | -58 | 108.3 | 171.9 | 23.3 | -30.6 | 0 | 0 | 0 | 107.5 | P121 | P119-P121 WeakPolarHBondContact O-CD 3.06Š| ||
| 120 | T | 34.8 | Very low | 52.2 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.1 | 171.7 | 9.1 | 0 | 0 | 0 | 0 | 107.8 | A118 E122 | A118-T120 PolarHBondContact O-N 2.94Å; T120-E122 PolarHBondContact O-N 2.85Å |
| 121 | P | 42.9 | Very low | 49.3 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.9 | 162.7 | -13.7 | 27.8 | 0 | 0 | 0 | 107.2 | P119 | P119-P121 WeakPolarHBondContact O-CD 3.06Š|
| 122 | E | 33.6 | Very low | 46 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 132.2 | 172.4 | -62.6 | 179.3 | 142.3 | 0 | 0 | 109.5 | T120 Q124 | T120-E122 PolarHBondContact O-N 2.85Å; E122-Q124 PolarHBondContact O-N 3.27Å |
| 123 | P | 37.8 | Very low | 43.1 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 110.2 | 168 | -14.5 | 27.9 | 0 | 0 | 0 | 108.2 | T125 | P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 PolarHBondContact O-N 2.53Å | ||
| 124 | Q | 33 | Very low | 40.3 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -68.4 | 92.1 | 166.9 | -69.3 | -175.8 | -15.7 | 0 | 0 | 108.2 | E122 Q126 | E122-Q124 PolarHBondContact O-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3Å; Q124-Q126 VanDerWaalsContact O-N 3.11Å | ||
| 125 | T | 29.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -70.8 | 101.5 | 166.6 | -42.7 | 0 | 0 | 0 | 0 | 107 | P123 D127 | P123-T125 VanDerWaalsContact C-N 3.3Å; P123-T125 PolarHBondContact O-N 2.53Å; T125-D127 PolarHBondContact O-N 3.43Å; T125-D127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | Q | 34.2 | Very low | 36.3 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -66.8 | 106.1 | 168.3 | -74.9 | 178.7 | -5.4 | 0 | 0 | 108.2 | Q124 Q128 | Q124-Q126 PolarHBondContact O-N 3Å; Q124-Q126 VanDerWaalsContact O-N 3.11Å; Q126-Q128 PolarHBondContact O-N 3.06Å | ||
| 127 | D | 32.9 | Very low | 35.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -64.1 | 105.3 | 165.5 | -170.6 | 36.7 | 0 | 0 | 0 | 108.5 | T125 | T125-D127 PolarHBondContact O-N 3.43Å; T125-D127 VanDerWaalsContact O-N 3.1Å | ||
| 128 | Q | 33.6 | Very low | 35.8 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -108.7 | 88.8 | 160.3 | -78.1 | -175.6 | 50.6 | 0 | 0 | 106.3 | Q126 | Q126-Q128 PolarHBondContact O-N 3.06Š| ||
| 129 | G | 33.6 | Very low | 36.1 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | -74.5 | 136.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 130 | E | 29.3 | Very low | 36.7 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -161.6 | 147.5 | 157.1 | -93.7 | -137.7 | 124.3 | 0 | 0 | 107.6 | ||||
| 131 | P | 37.3 | Very low | 37.1 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | -103.7 | 147.4 | -82.1 | -2.3 | 22.8 | 0 | 0 | 0 | 111.4 | A133 | P131-A133 PolarHBondContact O-N 3.4Š| |||
| 132 | D | 29.2 | Very low | 37 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 117.9 | 170.3 | -72.7 | -51.5 | 0 | 0 | 0 | 110.5 | E134 | D132-E134 PolarHBondContact O-N 2.83Å; D132-E134 VanDerWaalsContact O-N 3.11Å | ||
| 133 | A | 35.9 | Very low | 37.9 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 108.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | P131 V135 | P131-A133 PolarHBondContact O-N 3.4Å; A133-V135 PolarHBondContact O-N 3.4Å | ||
| 134 | E | 35 | Very low | 38.2 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -42.3 | 101.7 | 175 | -64.1 | 173.6 | 136.3 | 0 | 0 | 110.8 | D132 D136 | D132-E134 PolarHBondContact O-N 2.83Å; D132-E134 VanDerWaalsContact O-N 3.11Å; E134-D136 PolarHBondContact O-N 3.27Å | ||
| 135 | V | 40.5 | Very low | 38.9 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -82.5 | 95.3 | 163.5 | 173.5 | 0 | 0 | 0 | 0 | 105.8 | A133 N137 | A133-V135 PolarHBondContact O-N 3.4Å; V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 3.04Å | ||
| 136 | D | 30.6 | Very low | 39.7 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -59.8 | 98.6 | 165.8 | 179.2 | 37.3 | 0 | 0 | 0 | 108.5 | E134 S138 | E134-D136 PolarHBondContact O-N 3.27Å; D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.04Å; D136-S138 PolarHBondContact OD1-OG 2.94Å | ||
| 137 | N | 42.1 | Very low | 40.3 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -91.4 | 53.7 | 177.8 | -146 | 21.2 | 0 | 0 | 0 | 109 | V135 | V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 3.04Å | ||
| 138 | S | 46.6 | Very low | 41.3 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | -102.5 | 67 | 176.7 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | D136 | D136-S138 PolarHBondContact O-N 3.11Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.04Å; D136-S138 PolarHBondContact OD1-OG 2.94Å | ||
| 139 | A | 46.4 | Very low | 42.5 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -161.7 | 52 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 140 | I | 52.4 | Low | 43.4 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -121.9 | 75.7 | 148.7 | -56.6 | -170.9 | 0 | 0 | 0 | 107.1 | ||||
| 141 | T | 41.9 | Very low | 44.8 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -120.8 | 121.5 | 160.9 | -29.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 142 | G | 40.7 | Very low | 46.3 | Very low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -51.6 | 151 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S144 | G142-S144 PolarHBondContact O-N 3.43Å; G142-S144 PolarHBondContact O-OG 3.03Å; G142-S144 VanDerWaalsContact O-OG 3.1Å | ||
| 143 | S | 53.9 | Low | 48.3 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | -39.4 | 101.1 | 167 | -162.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 144 | S | 43.6 | Very low | 50 | Low | 93 Ų | 93 | 129.4 Ų | 129.4 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -121.7 | 98.1 | 170.8 | -55.7 | 0 | 0 | 0 | 0 | 105 | G142 L146 | G142-S144 PolarHBondContact O-N 3.43Å; G142-S144 PolarHBondContact O-OG 3.03Å; G142-S144 VanDerWaalsContact O-OG 3.1Å; S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 2.97Å | ||
| 145 | Y | 48 | Very low | 51.9 | Low | 214 Ų | 214 | 122.7 Ų | 122.7 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -61.5 | 91.4 | 174.5 | -59.1 | -88.7 | 0 | 0 | 0 | 108.9 | ||||
| 146 | L | 45.8 | Very low | 53.6 | Low | 152 Ų | 152 | 120.8 Ų | 120.8 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -91 | 112.8 | 165.2 | -80.8 | 168.5 | 0 | 0 | 0 | 107.8 | S144 G148 | S144-L146 VanDerWaalsContact C-N 3.29Å; S144-L146 PolarHBondContact O-N 2.97Å; L146-G148 PolarHBondContact O-N 2.92Å | ||
| 147 | P | 46.7 | Very low | 56 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 122 | 178.2 | 8.1 | 5.4 | 0 | 0 | 0 | 109.6 | ||
| 148 | G | 53.9 | Low | 58 | Low | 77 Ų | 77 | 117.7 Ų | 117.7 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.4 | -2.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | L146 | L146-G148 PolarHBondContact O-N 2.92Š|
| 149 | L | 58.2 | Low | 59.7 | Low | 148 Ų | 148 | 116.1 Ų | 116.1 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -89.2 | 142.6 | 172.6 | -82.1 | 159.4 | 0 | 0 | 0 | 111.2 | F151 | L149-F151 PolarHBondContact O-N 3.42Å; L149-F151 VanDerWaalsContact O-N 3.08Å |
| 150 | P | 53.8 | Low | 61.6 | Low | 115 Ų | 115 | 118 Ų | 118 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | trans | -59 | 117.7 | 174.8 | -15.6 | 27.6 | 0 | 0 | 0 | 108.8 | D152 | P150-D152 PolarHBondContact O-N 3.38Å; P150-D152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | F | 58.5 | Low | 63.4 | Low | 198 Ų | 198 | 115.2 Ų | 115.2 | 87% | 0.868 | 66% | 0.656 | S | S | * | * | trans | -61 | 112.5 | 164.9 | -79.5 | -94.1 | 0 | 0 | 0 | 106.6 | L149 P153 | L149-F151 PolarHBondContact O-N 3.42Å; L149-F151 VanDerWaalsContact O-N 3.08Å; F151-P153 VanDerWaalsContact O-CD 3.24Å; F151-P153 WeakPolarHBondContact O-CD 3.23Å | ||
| 152 | D | 68.5 | Low | 65.7 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 48% | 0.481 | 64% | 0.638 | S | S | . | * | trans | -92.1 | 104.4 | 169.5 | -170.5 | -13 | 0 | 0 | 0 | 108.4 | P150 R154 A155 | P150-D152 PolarHBondContact O-N 3.38Å; P150-D152 VanDerWaalsContact O-N 3.08Å; D152-R154 PolarHBondContact O-N 3.34Å; D152-R154 VanDerWaalsContact O-N 3.13Å; D152-R154 WeakPolarHBondContact OD1-CB 3.35Å; D152-R154 PolarHBondContact OD1-N 2.04Å; D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 3.44Å | ||
| 153 | P | 71 | Confident | 68 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.2 | -24.8 | 179.4 | -22.3 | 35.6 | 0 | 0 | 0 | 112.5 | F151 T157 | F151-P153 VanDerWaalsContact O-CD 3.24Å; F151-P153 WeakPolarHBondContact O-CD 3.23Å; P153-T157 WeakPolarHBondContact O-CG2 3.41Å; P153-T157 PolarHBondContact O-N 3.11Å; P153-T157 PolarHBondContact O-OG1 2.78Å |
| 154 | R | 71.2 | Confident | 69.8 | Low | 185 Ų | 185 | 115.7 Ų | 115.7 | 70% | 0.698 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.3 | -44.1 | -178.9 | -72 | -176.6 | 171.4 | -172.3 | -2.1 | 112.2 | D152 V156 T157 E158 | D152-R154 PolarHBondContact O-N 3.34Å; D152-R154 VanDerWaalsContact O-N 3.13Å; D152-R154 WeakPolarHBondContact OD1-CB 3.35Å; D152-R154 PolarHBondContact OD1-N 2.04Å; R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 2.8Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-N 3.19Å; R154-T157 VanDerWaalsContact O-N 3.11Å; R154-T157 PolarHBondContact O-OG1 2.95Å; R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 3.11Å |
| 155 | A | 75.7 | Confident | 72 | Confident | 52 Ų | 52 | 114 Ų | 114 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D152 A159 | D152-A155 HydrophobicContact CB-CB 4.37Å; D152-A155 PolarHBondContact O-N 3.44Å; A155-A159 WeakPolarHBondContact O-CB 3.08Å; A155-A159 PolarHBondContact O-N 2.54Å; A155-A159 VanDerWaalsContact O-N 3.08Å |
| 156 | V | 76.3 | Confident | 74.1 | Confident | 82 Ų | 82 | 110.5 Ų | 110.5 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.6 | -44.9 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | R154 E158 A159 Q160 | R154-V156 VanDerWaalsContact C-N 3.27Å; R154-V156 PolarHBondContact O-N 2.8Å; V156-E158 PolarHBondContact O-N 2.82Å; V156-A159 PolarHBondContact O-N 3.24Å; V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 3.1Å |
| 157 | T | 80.1 | Confident | 76 | Confident | 74 Ų | 74 | 108.5 Ų | 108.5 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | P153 R154 Q160 E161 | P153-T157 WeakPolarHBondContact O-CG2 3.41Å; P153-T157 PolarHBondContact O-N 3.11Å; P153-T157 PolarHBondContact O-OG1 2.78Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-N 3.19Å; R154-T157 VanDerWaalsContact O-N 3.11Å; R154-T157 PolarHBondContact O-OG1 2.95Å; T157-Q160 PolarHBondContact O-N 2.79Å; T157-E161 PolarHBondContact O-N 3.39Å |
| 158 | E | 83.9 | Confident | 77.8 | Confident | 134 Ų | 134 | 107.2 Ų | 107.2 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.5 | -41.6 | 176.5 | -72.5 | 173.2 | 176.9 | 0 | 0 | 111.7 | R154 V156 Q160 E161 S162 | R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 3.11Å; V156-E158 PolarHBondContact O-N 2.82Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; E158-E161 PolarHBondContact O-N 3.37Å; E158-S162 VanDerWaalsContact O-CB 3.32Å; E158-S162 WeakPolarHBondContact O-CB 3.06Å; E158-S162 PolarHBondContact O-N 3.46Å |
| 159 | A | 82.4 | Confident | 79.3 | Confident | 61 Ų | 61 | 106 Ų | 106 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | A155 V156 M163 | A155-A159 WeakPolarHBondContact O-CB 3.08Å; A155-A159 PolarHBondContact O-N 2.54Å; A155-A159 VanDerWaalsContact O-N 3.08Å; V156-A159 PolarHBondContact O-N 3.24Å; A159-M163 WeakPolarHBondContact O-CB 3.22Å; A159-M163 PolarHBondContact O-N 3.27Å |
| 160 | Q | 86.9 | Confident | 80.4 | Confident | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 176.1 | -72.9 | -178.8 | -68.2 | 0 | 0 | 112.5 | V156 T157 E158 M163 K164 | V156-Q160 WeakPolarHBondContact O-CG 3.49Å; V156-Q160 PolarHBondContact O-N 3.1Å; T157-Q160 PolarHBondContact O-N 2.79Å; E158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-M163 PolarHBondContact O-N 3.3Å; Q160-K164 WeakPolarHBondContact O-CB 3.45Å; Q160-K164 PolarHBondContact O-N 2.82Å |
| 161 | E | 89.8 | Confident | 81.4 | Confident | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -38 | 177.1 | -79.9 | -65.8 | 139.8 | 0 | 0 | 111.9 | T157 E158 K164 A165 | T157-E161 PolarHBondContact O-N 3.39Å; E158-E161 PolarHBondContact O-N 3.37Å; E161-K164 PolarHBondContact O-N 3.22Å; E161-K164 IonicContact OE1-NZ 2.82Å; E161-K164 PolarHBondContact OE1-NZ 3.32Å; E161-K164 IonicContact OE2-NZ 2.93Å; E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.26Å |
| 162 | S | 90.6 | Very high | 82.2 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 42% | 0.42 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 112 | E158 K164 A165 K166 | E158-S162 VanDerWaalsContact O-CB 3.32Å; E158-S162 WeakPolarHBondContact O-CB 3.06Å; E158-S162 PolarHBondContact O-N 3.46Å; S162-K164 VanDerWaalsContact C-N 3.34Å; S162-K164 PolarHBondContact O-N 2.85Å; S162-A165 PolarHBondContact O-N 3.28Å; S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 3.26Å |
| 163 | M | 90.1 | Very high | 82.4 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -42.4 | 176.2 | -173.5 | 179 | -71.2 | 0 | 0 | 111.7 | A159 Q160 K166 L167 | A159-M163 WeakPolarHBondContact O-CB 3.22Å; A159-M163 PolarHBondContact O-N 3.27Å; Q160-M163 PolarHBondContact O-N 3.3Å; M163-K166 PolarHBondContact O-N 3.16Å; M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.2Å |
| 164 | K | 91.1 | Very high | 82.2 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 45% | 0.452 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.7 | -177.2 | -170.4 | 179.4 | -167.8 | 0 | 112 | Q160 E161 S162 K166 L167 I168 | Q160-K164 WeakPolarHBondContact O-CB 3.45Å; Q160-K164 PolarHBondContact O-N 2.82Å; E161-K164 PolarHBondContact O-N 3.22Å; E161-K164 IonicContact OE1-NZ 2.82Å; E161-K164 PolarHBondContact OE1-NZ 3.32Å; E161-K164 IonicContact OE2-NZ 2.93Å; S162-K164 VanDerWaalsContact C-N 3.34Å; S162-K164 PolarHBondContact O-N 2.85Å; K164-K166 VanDerWaalsContact C-N 3.34Å; K164-K166 PolarHBondContact O-N 2.94Å; K164-L167 PolarHBondContact O-N 3.18Å; K164-I168 HydrophobicContact CG-CD1 4.14Å; K164-I168 WeakPolarHBondContact O-CG1 3.06Å; K164-I168 PolarHBondContact O-N 2.75Å |
| 165 | A | 90.1 | Very high | 81.9 | Confident | 57 Ų | 57 | 102.7 Ų | 102.7 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E161 S162 I168 A169 | E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.26Å; S162-A165 PolarHBondContact O-N 3.28Å; A165-I168 PolarHBondContact O-N 3.4Å; A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 2.89Å |
| 166 | K | 91.1 | Very high | 81.8 | Confident | 141 Ų | 141 | 106.3 Ų | 106.3 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 173.8 | -72.2 | -178.1 | -179 | -174 | 0 | 112 | S162 M163 K164 A169 I170 | S162-K166 WeakPolarHBondContact O-CG 3.37Å; S162-K166 PolarHBondContact O-N 3.26Å; M163-K166 PolarHBondContact O-N 3.16Å; K164-K166 VanDerWaalsContact C-N 3.34Å; K164-K166 PolarHBondContact O-N 2.94Å; K166-A169 PolarHBondContact O-N 3.25Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 3.38Å |
| 167 | L | 86.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 176.1 | -72.2 | 173.7 | 0 | 0 | 0 | 112.7 | M163 K164 I170 R171 | M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.2Å; K164-L167 PolarHBondContact O-N 3.18Å; L167-I170 PolarHBondContact O-N 3.23Å; L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 3.49Å |
| 168 | I | 84.8 | Confident | 82 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.1 | -69.3 | 166.4 | 0 | 0 | 0 | 110.5 | K164 A165 R171 R172 | K164-I168 HydrophobicContact CG-CD1 4.14Å; K164-I168 WeakPolarHBondContact O-CG1 3.06Å; K164-I168 PolarHBondContact O-N 2.75Å; A165-I168 PolarHBondContact O-N 3.4Å; I168-R171 PolarHBondContact O-N 3.45Å; I168-R172 WeakPolarHBondContact O-CB 3.42Å; I168-R172 PolarHBondContact O-N 2.86Å |
| 169 | A | 84.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A165 K166 R172 K173 | A165-A169 WeakPolarHBondContact O-CB 3.33Å; A165-A169 PolarHBondContact O-N 2.89Å; K166-A169 PolarHBondContact O-N 3.25Å; A169-R172 PolarHBondContact O-N 2.93Å; A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.39Å |
| 170 | I | 80.5 | Confident | 83 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 55% | 0.549 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.4 | -68.6 | 165.1 | 0 | 0 | 0 | 110.4 | K166 L167 R172 K173 L174 | K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 3.38Å; L167-I170 PolarHBondContact O-N 3.23Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.13Å; I170-K173 PolarHBondContact O-N 3.02Å; I170-L174 WeakPolarHBondContact O-CB 3.27Å; I170-L174 PolarHBondContact O-N 3.05Å |
| 171 | R | 75.2 | Confident | 83.2 | Confident | 186 Ų | 186 | 92.7 Ų | 92.7 | 70% | 0.702 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.3 | -41.2 | 177.5 | -175.3 | 176.1 | -177.2 | 158.2 | 1.3 | 111.4 | L167 I168 L174 V175 | L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 3.49Å; I168-R171 PolarHBondContact O-N 3.45Å; R171-L174 PolarHBondContact O-N 2.98Å; R171-V175 HydrophobicContact CG-CG2 4.39Å; R171-V175 WeakPolarHBondContact O-CB 3.16Å; R171-V175 VanDerWaalsContact O-CG2 3.23Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 3.21Å |
| 172 | R | 75.2 | Confident | 83.3 | Confident | 172 Ų | 172 | 90.1 Ų | 90.1 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.2 | -176.3 | 179.4 | 170.6 | 166.8 | 2.5 | 111.5 | I168 A169 I170 L174 V175 E176 | I168-R172 WeakPolarHBondContact O-CB 3.42Å; I168-R172 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 2.93Å; I170-R172 VanDerWaalsContact C-N 3.29Å; I170-R172 PolarHBondContact O-N 3.13Å; R172-L174 PolarHBondContact O-N 3.48Å; R172-V175 PolarHBondContact O-N 3.33Å; R172-E176 IonicContact NE-OE1 3.61Å; R172-E176 PolarHBondContact NE-OE1 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.49Å; R172-E176 PolarHBondContact O-N 3.18Å |
| 173 | K | 74.5 | Confident | 83.4 | Confident | 145 Ų | 145 | 90.7 Ų | 90.7 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60 | -35 | 175.3 | -74.7 | -172.3 | 176.3 | -171.6 | 0 | 112.7 | A169 I170 Q177 | A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.39Å; I170-K173 PolarHBondContact O-N 3.02Å; K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.02Å; K173-Q177 PolarHBondContact O-NE2 3.03Å |
| 174 | L | 66.6 | Low | 83.6 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.5 | -33.5 | 178.9 | -165.1 | 65.9 | 0 | 0 | 0 | 112.1 | I170 R171 R172 Q177 L182 | I170-L174 WeakPolarHBondContact O-CB 3.27Å; I170-L174 PolarHBondContact O-N 3.05Å; R171-L174 PolarHBondContact O-N 2.98Å; R172-L174 PolarHBondContact O-N 3.48Å; L174-Q177 WeakPolarHBondContact O-CB 3.47Å; L174-Q177 PolarHBondContact O-N 2.95Å; L174-L182 HydrophobicContact CD1-CD2 3.93Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L174-L182 HydrophobicContact CD2-CD2 3.24Å; L174-L182 HydrophobicContact CD2-CG 4.33Å; L174-L182 HydrophobicContact CG-CD1 4.49Å; L174-L182 HydrophobicContact CG-CD2 3.26Å; L174-L182 HydrophobicContact CG-CG 3.83Å |
| 175 | V | 64.8 | Low | 83.6 | Confident | 91 Ų | 91 | 85.1 Ų | 85.1 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.8 | -35.2 | 170.4 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | R171 R172 Q177 G178 | R171-V175 HydrophobicContact CG-CG2 4.39Å; R171-V175 WeakPolarHBondContact O-CB 3.16Å; R171-V175 VanDerWaalsContact O-CG2 3.23Å; R171-V175 WeakPolarHBondContact O-CG2 3.44Å; R171-V175 PolarHBondContact O-N 3.21Å; R172-V175 PolarHBondContact O-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.37Å; V175-G178 PolarHBondContact O-N 2.85Å |
| 176 | E | 72.3 | Confident | 83.7 | Confident | 127 Ų | 127 | 85.7 Ų | 85.7 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.7 | -25.2 | 172 | -79.4 | 175.6 | -174.2 | 0 | 0 | 112.3 | R172 G178 | R172-E176 IonicContact NE-OE1 3.61Å; R172-E176 PolarHBondContact NE-OE1 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.49Å; R172-E176 PolarHBondContact O-N 3.18Å; E176-G178 VanDerWaalsContact C-N 3.29Å |
| 177 | Q | 73.7 | Confident | 83.8 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -10.8 | 173.1 | -69.2 | 172.2 | 47.5 | 0 | 0 | 113.3 | K173 L174 V175 H181 G214 | K173-Q177 WeakPolarHBondContact O-CG 3.48Å; K173-Q177 PolarHBondContact O-N 3.02Å; K173-Q177 PolarHBondContact O-NE2 3.03Å; L174-Q177 WeakPolarHBondContact O-CB 3.47Å; L174-Q177 PolarHBondContact O-N 2.95Å; V175-Q177 PolarHBondContact O-N 3.37Å; Q177-H181 HydrophobicContact CB-CB 3.93Å; Q177-H181 VanDerWaalsContact O-CB 3.3Å; Q177-H181 WeakPolarHBondContact O-CB 3.08Å; Q177-H181 PolarHBondContact O-ND1 3.43Å; Q177-G214 WeakPolarHBondContact O-CA 3.23Å |
| 178 | G | 87.9 | Confident | 84.1 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | 84 | 161.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V175 E176 C180 H181 L182 G214 | V175-G178 PolarHBondContact O-N 2.85Å; E176-G178 VanDerWaalsContact C-N 3.29Å; G178-C180 PolarHBondContact O-N 2.71Å; G178-H181 PolarHBondContact O-N 3.07Å; G178-L182 PolarHBondContact O-N 3.43Å; G178-G214 CarbonylContact C-O 3.48Å; G178-G214 VanDerWaalsContact C-O 3.28Å; G178-G214 WeakPolarHBondContact CA-O 3.32Å |
| 179 | P | 92.2 | Very high | 84.3 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | -173.7 | 24.7 | -34 | 0 | 0 | 0 | 113.8 | L182 E183 L215 Y216 W238 | P179-L182 WeakPolarHBondContact O-CB 3.44Å; P179-E183 PolarHBondContact O-N 2.85Å; P179-E183 VanDerWaalsContact O-N 3.16Å; P179-L215 HydrophobicContact CG-CD2 4.14Å; P179-Y216 HydrophobicContact CB-CE2 4.12Å; P179-Y216 HydrophobicContact CG-CE2 4.17Å; P179-W238 WeakPolarHBondContact CG-O 3.45Å |
| 180 | C | 94.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | G178 L182 E183 L184 C210 G214 Y216 | G178-C180 PolarHBondContact O-N 2.71Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.01Å; C180-E183 PolarHBondContact O-N 3.1Å; C180-L184 WeakPolarHBondContact O-CB 3.33Å; C180-L184 PolarHBondContact O-N 3.18Å; C180-C210 HydrophobicContact CB-CB 3.82Å; C180-C210 WeakPolarHBondContact CB-SG 3.2Å; C180-C210 PolarHBondContact O-SG 3.38Å; C180-C210 VanDerWaalsContact O-SG 3.34Å; C180-C210 WeakPolarHBondContact SG-CA 3.21Å; C180-C210 WeakPolarHBondContact SG-CB 3.47Å; C180-C210 CovalentContact SG-SG 2.04Å; C180-C210 PolarHBondContact SG-SG 2.98Å; C180-G214 WeakPolarHBondContact CB-O 3.42Å; C180-G214 PolarHBondContact N-O 3.48Å; C180-Y216 HydrophobicContact CB-CD1 3.72Å; C180-Y216 HydrophobicContact CB-CD2 3.89Å; C180-Y216 HydrophobicContact CB-CE1 3.78Å; C180-Y216 HydrophobicContact CB-CE2 3.93Å; C180-Y216 HydrophobicContact CB-CG 3.79Å; C180-Y216 VanDerWaalsContact SG-CD1 3.5Å |
| 181 | H | 92.1 | Very high | 84.8 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65 | -38 | 178 | -80.4 | 169.7 | 0 | 0 | 0 | 112.3 | Q177 G178 E183 L184 V185 C210 | Q177-H181 HydrophobicContact CB-CB 3.93Å; Q177-H181 VanDerWaalsContact O-CB 3.3Å; Q177-H181 WeakPolarHBondContact O-CB 3.08Å; Q177-H181 PolarHBondContact O-ND1 3.43Å; G178-H181 PolarHBondContact O-N 3.07Å; H181-E183 VanDerWaalsContact C-N 3.31Å; H181-E183 PolarHBondContact O-N 3.34Å; H181-L184 WeakPolarHBondContact O-CB 3.46Å; H181-L184 PolarHBondContact O-N 3.43Å; H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.27Å; H181-C210 VanDerWaalsContact CD2-CB 3.49Å; H181-C210 WeakPolarHBondContact CD2-CB 3.37Å |
| 182 | L | 91.1 | Very high | 85.3 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 171.3 | -95.5 | 166.4 | 0 | 0 | 0 | 112.2 | L174 G178 P179 C180 T186 | L174-L182 HydrophobicContact CD1-CD2 3.93Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L174-L182 HydrophobicContact CD2-CD2 3.24Å; L174-L182 HydrophobicContact CD2-CG 4.33Å; L174-L182 HydrophobicContact CG-CD1 4.49Å; L174-L182 HydrophobicContact CG-CD2 3.26Å; L174-L182 HydrophobicContact CG-CG 3.83Å; G178-L182 PolarHBondContact O-N 3.43Å; P179-L182 WeakPolarHBondContact O-CB 3.44Å; C180-L182 VanDerWaalsContact C-N 3.31Å; C180-L182 PolarHBondContact O-N 3.01Å; L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 3.06Å |
| 183 | E | 93.4 | Very high | 85.8 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 175.7 | -168.4 | -178.9 | 170.7 | 0 | 0 | 111.9 | P179 C180 H181 T186 A187 P208 Y216 | P179-E183 PolarHBondContact O-N 2.85Å; P179-E183 VanDerWaalsContact O-N 3.16Å; C180-E183 PolarHBondContact O-N 3.1Å; H181-E183 VanDerWaalsContact C-N 3.31Å; H181-E183 PolarHBondContact O-N 3.34Å; E183-T186 CarbonylContact O-C 3.52Å; E183-T186 WeakPolarHBondContact O-CB 3.33Å; E183-T186 PolarHBondContact O-N 3.41Å; E183-A187 WeakPolarHBondContact O-CB 3.14Å; E183-A187 PolarHBondContact O-N 3.44Å; E183-P208 HydrophobicContact CB-CG 4.22Å; E183-P208 HydrophobicContact CG-CG 3.86Å; E183-Y216 WeakPolarHBondContact OE2-CE1 3.41Å; E183-Y216 VanDerWaalsContact OE2-CZ 3.23Å; E183-Y216 PolarHBondContact OE2-OH 3.37Å |
| 184 | L | 93.6 | Very high | 86.1 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 178.5 | 175.8 | 60.4 | 0 | 0 | 0 | 111.7 | C180 H181 T186 A187 L188 L207 | C180-L184 WeakPolarHBondContact O-CB 3.33Å; C180-L184 PolarHBondContact O-N 3.18Å; H181-L184 WeakPolarHBondContact O-CB 3.46Å; H181-L184 PolarHBondContact O-N 3.43Å; L184-T186 VanDerWaalsContact C-N 3.27Å; L184-T186 PolarHBondContact O-N 2.89Å; L184-A187 WeakPolarHBondContact O-CB 3.43Å; L184-A187 PolarHBondContact O-N 3.38Å; L184-A187 VanDerWaalsContact O-N 3.13Å; L184-L188 HydrophobicContact CD1-CG 4.46Å; L184-L188 HydrophobicContact CG-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.77Å; L184-L207 HydrophobicContact CD1-CD1 3.3Å; L184-L207 HydrophobicContact CD1-CD2 4.36Å; L184-L207 HydrophobicContact CD1-CG 3.58Å |
| 185 | V | 91.6 | Very high | 86.8 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 49% | 0.485 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | H181 A187 L188 D189 | H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.27Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.27Å; V185-L188 PolarHBondContact O-N 3.25Å; V185-D189 PolarHBondContact O-N 3.2Å |
| 186 | T | 92.4 | Very high | 87.3 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | L182 E183 L184 K190 | L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 3.06Å; E183-T186 CarbonylContact O-C 3.52Å; E183-T186 WeakPolarHBondContact O-CB 3.33Å; E183-T186 PolarHBondContact O-N 3.41Å; L184-T186 VanDerWaalsContact C-N 3.27Å; L184-T186 PolarHBondContact O-N 2.89Å; T186-K190 HydrophobicContact CG2-CD 4.47Å; T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 2.93Å; T186-K190 VanDerWaalsContact O-N 3.1Å |
| 187 | A | 92.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E183 L184 V185 D189 K190 I191 L207 P208 | E183-A187 WeakPolarHBondContact O-CB 3.14Å; E183-A187 PolarHBondContact O-N 3.44Å; L184-A187 WeakPolarHBondContact O-CB 3.43Å; L184-A187 PolarHBondContact O-N 3.38Å; L184-A187 VanDerWaalsContact O-N 3.13Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.27Å; A187-D189 PolarHBondContact O-N 3.12Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 2.84Å; A187-I191 WeakPolarHBondContact O-CD1 3.48Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.15Å; A187-L207 HydrophobicContact CB-CD1 4.48Å; A187-P208 HydrophobicContact CB-CG 4.46Å |
| 188 | L | 91.1 | Very high | 87.3 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.2 | -70 | 171.6 | 0 | 0 | 0 | 112.5 | L184 V185 I191 T192 L207 | L184-L188 HydrophobicContact CD1-CG 4.46Å; L184-L188 HydrophobicContact CG-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.47Å; L184-L188 PolarHBondContact O-N 2.77Å; V185-L188 PolarHBondContact O-N 3.25Å; L188-I191 PolarHBondContact O-N 3.31Å; L188-T192 PolarHBondContact O-N 2.78Å; L188-T192 PolarHBondContact O-OG1 3.36Å; L188-L207 HydrophobicContact CD2-CD1 3.67Å; L188-L207 HydrophobicContact CG-CD1 4.08Å |
| 189 | D | 89.3 | Confident | 86.4 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.8 | 175.1 | 72.1 | 0 | 0 | 0 | 111.7 | V185 A187 T192 K193 | V185-D189 PolarHBondContact O-N 3.2Å; A187-D189 PolarHBondContact O-N 3.12Å; D189-T192 PolarHBondContact O-N 3.35Å; D189-K193 WeakPolarHBondContact O-CG 3.44Å; D189-K193 PolarHBondContact O-N 2.92Å; D189-K193 VanDerWaalsContact O-N 3.07Å; D189-K193 WeakPolarHBondContact OD1-CE 3.44Å; D189-K193 IonicContact OD1-NZ 3Å; D189-K193 PolarHBondContact OD1-NZ 2.99Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.58Å; D189-K193 PolarHBondContact OD2-NZ 3.42Å |
| 190 | K | 89.1 | Confident | 85 | Confident | 131 Ų | 131 | 72.9 Ų | 72.9 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 175.1 | -74 | 173.8 | -179 | 174.8 | 0 | 112.4 | T186 A187 K193 S194 | T186-K190 HydrophobicContact CG2-CD 4.47Å; T186-K190 WeakPolarHBondContact O-CG 3.27Å; T186-K190 PolarHBondContact O-N 2.93Å; T186-K190 VanDerWaalsContact O-N 3.1Å; A187-K190 WeakPolarHBondContact O-CB 3.12Å; A187-K190 PolarHBondContact O-N 2.84Å; K190-K193 PolarHBondContact O-N 2.88Å; K190-S194 VanDerWaalsContact O-CB 3.24Å; K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.29Å; K190-S194 PolarHBondContact O-OG 3.26Å; K190-S194 VanDerWaalsContact O-OG 3.12Å |
| 191 | I | 88.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.077 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 178.9 | -72.7 | 162 | 0 | 0 | 0 | 109.9 | I35 A187 L188 K193 S194 Q195 F202 F205 L207 | I35-I191 HydrophobicContact CD1-CG2 4.38Å; A187-I191 WeakPolarHBondContact O-CD1 3.48Å; A187-I191 WeakPolarHBondContact O-CG1 3.38Å; A187-I191 PolarHBondContact O-N 3.15Å; L188-I191 PolarHBondContact O-N 3.31Å; I191-K193 PolarHBondContact O-N 2.68Å; I191-S194 PolarHBondContact O-N 2.94Å; I191-Q195 WeakPolarHBondContact O-CB 3.41Å; I191-Q195 PolarHBondContact O-N 3.43Å; I191-F202 HydrophobicContact CB-CZ 4.08Å; I191-F202 HydrophobicContact CG1-CZ 4.03Å; I191-F202 HydrophobicContact CG2-CE1 4.01Å; I191-F202 HydrophobicContact CG2-CZ 3.67Å; I191-F205 HydrophobicContact CD1-CD2 3.47Å; I191-F205 VanDerWaalsContact CD1-CD2 3.47Å; I191-F205 HydrophobicContact CD1-CE2 3.89Å; I191-F205 HydrophobicContact CD1-CG 4.24Å; I191-F205 HydrophobicContact CG1-CB 4.27Å; I191-F205 HydrophobicContact CG1-CD2 3.96Å; I191-F205 HydrophobicContact CG1-CG 4.24Å; I191-L207 HydrophobicContact CD1-CD1 3.97Å |
| 192 | T | 85.3 | Confident | 83.4 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 179.5 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | L188 D189 Q195 E196 | L188-T192 PolarHBondContact O-N 2.78Å; L188-T192 PolarHBondContact O-OG1 3.36Å; D189-T192 PolarHBondContact O-N 3.35Å; T192-Q195 PolarHBondContact O-N 2.74Å; T192-E196 PolarHBondContact O-N 2.97Å |
| 193 | K | 84.5 | Confident | 83.1 | Confident | 102 Ų | 102 | 79.3 Ų | 79.3 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 178.6 | -71.9 | 170.9 | -179.9 | 164.7 | 0 | 113.5 | D189 K190 I191 K197 | D189-K193 WeakPolarHBondContact O-CG 3.44Å; D189-K193 PolarHBondContact O-N 2.92Å; D189-K193 VanDerWaalsContact O-N 3.07Å; D189-K193 WeakPolarHBondContact OD1-CE 3.44Å; D189-K193 IonicContact OD1-NZ 3Å; D189-K193 PolarHBondContact OD1-NZ 2.99Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.58Å; D189-K193 PolarHBondContact OD2-NZ 3.42Å; K190-K193 PolarHBondContact O-N 2.88Å; I191-K193 PolarHBondContact O-N 2.68Å; K193-K197 WeakPolarHBondContact O-CG 3.4Å; K193-K197 PolarHBondContact O-N 3.38Å |
| 194 | S | 82.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 179 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | K190 I191 E196 K197 Q198 | K190-S194 VanDerWaalsContact O-CB 3.24Å; K190-S194 WeakPolarHBondContact O-CB 3.36Å; K190-S194 PolarHBondContact O-N 3.29Å; K190-S194 PolarHBondContact O-OG 3.26Å; K190-S194 VanDerWaalsContact O-OG 3.12Å; I191-S194 PolarHBondContact O-N 2.94Å; S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.47Å; S194-K197 PolarHBondContact O-N 3.11Å; S194-K197 VanDerWaalsContact O-N 3.15Å; S194-Q198 VanDerWaalsContact O-CB 3.23Å; S194-Q198 WeakPolarHBondContact O-CB 3.38Å; S194-Q198 WeakPolarHBondContact O-CG 3.37Å; S194-Q198 PolarHBondContact O-N 2.9Å |
| 195 | Q | 80.7 | Confident | 82.8 | Confident | 31 Ų | 31 | 80 Ų | 80 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 176.1 | -173.9 | -170.2 | 10.8 | 0 | 0 | 111.5 | E33 P34 I191 T192 K197 G199 | E33-Q195 VanDerWaalsContact O-CD 3.25Å; E33-Q195 PolarHBondContact O-NE2 2.97Å; E33-Q195 PolarHBondContact O-OE1 3.42Å; P34-Q195 PolarHBondContact O-NE2 3.29Å; I191-Q195 WeakPolarHBondContact O-CB 3.41Å; I191-Q195 PolarHBondContact O-N 3.43Å; T192-Q195 PolarHBondContact O-N 2.74Å; Q195-K197 PolarHBondContact O-N 2.73Å; Q195-G199 PolarHBondContact O-N 3.05Å |
| 196 | E | 74.4 | Confident | 82.8 | Confident | 135 Ų | 135 | 79 Ų | 79 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.6 | -32 | 177.9 | -67.4 | 175.1 | 168.8 | 0 | 0 | 112.9 | T192 S194 | T192-E196 PolarHBondContact O-N 2.97Å; S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.47Å |
| 197 | K | 76.8 | Confident | 82.9 | Confident | 176 Ų | 176 | 78.7 Ų | 78.7 | 77% | 0.765 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -96.3 | -33.5 | -173.3 | -70.2 | -178.8 | -179.3 | -177.1 | 0 | 114.5 | K193 S194 Q195 | K193-K197 WeakPolarHBondContact O-CG 3.4Å; K193-K197 PolarHBondContact O-N 3.38Å; S194-K197 PolarHBondContact O-N 3.11Å; S194-K197 VanDerWaalsContact O-N 3.15Å; Q195-K197 PolarHBondContact O-N 2.73Å |
| 198 | Q | 69.9 | Low | 83 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -106.4 | -14.2 | -165 | -63.3 | -170.9 | -22.2 | 0 | 0 | 113.8 | S194 E200 K201 F202 | S194-Q198 VanDerWaalsContact O-CB 3.23Å; S194-Q198 WeakPolarHBondContact O-CB 3.38Å; S194-Q198 WeakPolarHBondContact O-CG 3.37Å; S194-Q198 PolarHBondContact O-N 2.9Å; Q198-E200 PolarHBondContact O-N 2.83Å; Q198-K201 PolarHBondContact O-N 3.45Å; Q198-F202 HydrophobicContact CB-CB 4.27Å |
| 199 | G | 69.6 | Low | 83.2 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | 46.5 | -125 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q195 K201 F202 | Q195-G199 PolarHBondContact O-N 3.05Å; G199-K201 PolarHBondContact O-N 3.31Å; G199-F202 WeakPolarHBondContact O-CB 3.48Å; G199-F202 PolarHBondContact O-N 3.35Å |
| 200 | E | 62.4 | Low | 83.5 | Confident | 167 Ų | 167 | 75.8 Ų | 75.8 | 78% | 0.78 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -59.3 | -16.1 | -177.3 | -61.9 | -175.8 | 156.3 | 0 | 0 | 115.5 | Q198 F202 T203 | Q198-E200 PolarHBondContact O-N 2.83Å; E200-F202 VanDerWaalsContact C-N 3.35Å; E200-T203 WeakPolarHBondContact O-CG2 3.45Å |
| 201 | K | 69.5 | Low | 83.6 | Confident | 181 Ų | 181 | 71 Ų | 71 | 79% | 0.787 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -84.4 | -11 | 177.1 | -64.3 | -178.2 | -178.1 | 176.7 | 0 | 113.1 | Q198 G199 T203 | Q198-K201 PolarHBondContact O-N 3.45Å; G199-K201 PolarHBondContact O-N 3.31Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.93Å |
| 202 | F | 82.7 | Confident | 83.7 | Confident | 21 Ų | 21 | 80.4 Ų | 80.4 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | trans | -82.6 | 67 | 178.1 | -169.7 | -99.7 | 0 | 0 | 0 | 110.5 | I191 Q198 G199 E200 F205 L225 | I191-F202 HydrophobicContact CB-CZ 4.08Å; I191-F202 HydrophobicContact CG1-CZ 4.03Å; I191-F202 HydrophobicContact CG2-CE1 4.01Å; I191-F202 HydrophobicContact CG2-CZ 3.67Å; Q198-F202 HydrophobicContact CB-CB 4.27Å; G199-F202 WeakPolarHBondContact O-CB 3.48Å; G199-F202 PolarHBondContact O-N 3.35Å; E200-F202 VanDerWaalsContact C-N 3.35Å; F202-F205 AromaticContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CE1 4.1Å; F202-F205 HydrophobicContact CE1-CG 4.26Å; F202-F205 HydrophobicContact CE2-CB 4.09Å; F202-F205 HydrophobicContact CZ-CB 3.73Å; F202-F205 AromaticContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CE1 4.45Å; F202-F205 AromaticContact CZ-CG 3.8Å; F202-F205 HydrophobicContact CZ-CG 3.8Å; F202-L225 HydrophobicContact CD1-CD1 4.27Å; F202-L225 HydrophobicContact CE1-CD1 4.47Å; F202-L225 WeakPolarHBondContact O-CD1 3.43Å | ||
| 203 | T | 86.4 | Confident | 83.9 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 23% | 0.233 | 41% | 0.409 | C | S | . | . | trans | -101.7 | -19.2 | -178.9 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | A38 E200 K201 S224 L225 | A38-T203 HydrophobicContact CB-CG2 3.71Å; E200-T203 WeakPolarHBondContact O-CG2 3.45Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.93Å; T203-S224 CarbonylContact O-C 3.53Å; T203-S224 WeakPolarHBondContact O-CA 3.32Å; T203-L225 PolarHBondContact O-N 3.03Å | ||
| 204 | K | 88.9 | Confident | 84.2 | Confident | 96 Ų | 96 | 81.5 Ų | 81.5 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.5 | -178.2 | -64.2 | -177.2 | -178.3 | -179.7 | 0 | 110.6 | S223 S224 | K204-S223 WeakPolarHBondContact CA-O 3.33Å; K204-S224 WeakPolarHBondContact CE-OG 3.14Å |
| 205 | F | 91.3 | Very high | 84.7 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.6 | 177.5 | 60.2 | -90.1 | 0 | 0 | 0 | 111.1 | I191 F202 L207 S223 L225 | I191-F205 HydrophobicContact CD1-CD2 3.47Å; I191-F205 VanDerWaalsContact CD1-CD2 3.47Å; I191-F205 HydrophobicContact CD1-CE2 3.89Å; I191-F205 HydrophobicContact CD1-CG 4.24Å; I191-F205 HydrophobicContact CG1-CB 4.27Å; I191-F205 HydrophobicContact CG1-CD2 3.96Å; I191-F205 HydrophobicContact CG1-CG 4.24Å; F202-F205 AromaticContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CD1 3.62Å; F202-F205 HydrophobicContact CE1-CE1 4.1Å; F202-F205 HydrophobicContact CE1-CG 4.26Å; F202-F205 HydrophobicContact CE2-CB 4.09Å; F202-F205 HydrophobicContact CZ-CB 3.73Å; F202-F205 AromaticContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CD1 3.63Å; F202-F205 HydrophobicContact CZ-CE1 4.45Å; F202-F205 AromaticContact CZ-CG 3.8Å; F202-F205 HydrophobicContact CZ-CG 3.8Å; F205-L207 HydrophobicContact CE2-CB 4.5Å; F205-S223 VanDerWaalsContact CE2-CB 3.5Å; F205-S223 PolarHBondContact N-O 3.23Å; F205-S223 VanDerWaalsContact N-O 3.11Å; F205-S223 PolarHBondContact O-N 3.49Å; F205-L225 HydrophobicContact CE1-CD1 4.02Å; F205-L225 HydrophobicContact CE1-CD2 4.01Å; F205-L225 HydrophobicContact CE1-CG 3.95Å |
| 206 | Y | 91.8 | Very high | 85.4 | Confident | 59 Ų | 59 | 80.7 Ų | 80.7 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129 | 177.5 | 172 | -124.2 | 0 | 0 | 0 | 110.5 | P208 Q220 W233 | Y206-P208 HydrophobicContact CD1-CG 4.35Å; Y206-P208 HydrophobicContact CE1-CB 4.37Å; Y206-P208 HydrophobicContact CE1-CG 3.7Å; Y206-Q220 HydrophobicContact CE2-CB 4.1Å; Y206-Q220 PolarHBondContact OH-OE1 3.21Å; Y206-W233 AromaticContact CD2-CH2 3.55Å; Y206-W233 HydrophobicContact CD2-CH2 3.55Å; Y206-W233 AromaticContact CD2-CZ2 3.68Å; Y206-W233 HydrophobicContact CD2-CZ2 3.68Å; Y206-W233 AromaticContact CE2-CH2 3.83Å; Y206-W233 HydrophobicContact CE2-CH2 3.83Å; Y206-W233 AromaticContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CE2-CZ2 3.49Å; Y206-W233 VanDerWaalsContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CG-CH2 4.2Å; Y206-W233 HydrophobicContact CG-CZ2 4.32Å; Y206-W233 AromaticContact CZ-CZ2 3.96Å |
| 207 | L | 94.5 | Very high | 86.3 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | trans | -123 | 110.5 | 172.4 | -167.8 | 70.9 | 0 | 0 | 0 | 108.5 | L184 A187 L188 I191 F205 N209 | L184-L207 HydrophobicContact CD1-CD1 3.3Å; L184-L207 HydrophobicContact CD1-CD2 4.36Å; L184-L207 HydrophobicContact CD1-CG 3.58Å; A187-L207 HydrophobicContact CB-CD1 4.48Å; L188-L207 HydrophobicContact CD2-CD1 3.67Å; L188-L207 HydrophobicContact CG-CD1 4.08Å; I191-L207 HydrophobicContact CD1-CD1 3.97Å; F205-L207 HydrophobicContact CE2-CB 4.5Å; L207-N209 PolarHBondContact O-N 2.9Å | ||
| 208 | P | 95 | Very high | 87.1 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.032 | 35% | 0.35 | C | S | . | . | trans | -57.8 | 128.3 | -177.4 | -24 | 30.8 | 0 | 0 | 0 | 112.7 | E183 A187 Y206 C210 | E183-P208 HydrophobicContact CB-CG 4.22Å; E183-P208 HydrophobicContact CG-CG 3.86Å; A187-P208 HydrophobicContact CB-CG 4.46Å; Y206-P208 HydrophobicContact CD1-CG 4.35Å; Y206-P208 HydrophobicContact CE1-CB 4.37Å; Y206-P208 HydrophobicContact CE1-CG 3.7Å; P208-C210 PolarHBondContact O-N 2.78Å | ||
| 209 | N | 94.9 | Very high | 88 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | trans | -86.9 | 109.3 | 174 | -171.5 | -1.2 | 0 | 0 | 0 | 109.6 | L207 K217 Q220 | L207-N209 PolarHBondContact O-N 2.9Å; N209-K217 HydrophobicContact CB-CB 4.27Å; N209-K217 HydrophobicContact CB-CG 4.49Å; N209-K217 WeakPolarHBondContact O-CB 3.24Å; N209-K217 PolarHBondContact O-N 3.31Å; N209-Q220 PolarHBondContact O-NE2 3.2Å | ||
| 210 | C | 94.7 | Very high | 89.2 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -105.4 | 151.6 | -175.5 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | C180 H181 P208 L215 | C180-C210 HydrophobicContact CB-CB 3.82Å; C180-C210 WeakPolarHBondContact CB-SG 3.2Å; C180-C210 PolarHBondContact O-SG 3.38Å; C180-C210 VanDerWaalsContact O-SG 3.34Å; C180-C210 WeakPolarHBondContact SG-CA 3.21Å; C180-C210 WeakPolarHBondContact SG-CB 3.47Å; C180-C210 CovalentContact SG-SG 2.04Å; C180-C210 PolarHBondContact SG-SG 2.98Å; H181-C210 VanDerWaalsContact CD2-CB 3.49Å; H181-C210 WeakPolarHBondContact CD2-CB 3.37Å; P208-C210 PolarHBondContact O-N 2.78Å; C210-L215 CarbonylContact C-O 3.54Å; C210-L215 VanDerWaalsContact CA-O 3.3Å; C210-L215 WeakPolarHBondContact CA-O 3.39Å |
| 211 | D | 92.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | trans | -83 | 177.1 | 167.4 | 83.8 | 0 | 0 | 0 | 0 | 111.6 | R213 G214 L215 | D211-R213 PolarHBondContact O-N 3.43Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.48Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 PolarHBondContact OD1-N 2.91Å; D211-R213 IonicContact OD2-CZ 3.49Å; D211-R213 IonicContact OD2-NE 3.22Å; D211-R213 PolarHBondContact OD2-NE 2.68Å; D211-R213 IonicContact OD2-NH2 2.88Å; D211-R213 PolarHBondContact OD2-NH2 3.02Å; D211-G214 WeakPolarHBondContact O-CA 3.39Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 2.92Å; D211-L215 PolarHBondContact N-O 2.73Å; D211-L215 PolarHBondContact OD1-N 2.91Å | ||
| 212 | K | 89.6 | Confident | 91.6 | Very high | 212 Ų | 212 | 57 Ų | 57 | 92% | 0.922 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16 | -178.4 | -61.9 | -178.1 | 179.6 | -177.5 | 0 | 114.1 | ||
| 213 | R | 88.9 | Confident | 92 | Very high | 176 Ų | 176 | 58.1 Ų | 58.1 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.9 | 176.4 | -57.8 | 172.2 | -64.7 | -154.8 | 0.3 | 111.3 | D211 L215 | D211-R213 PolarHBondContact O-N 3.43Å; D211-R213 VanDerWaalsContact O-N 3.13Å; D211-R213 WeakPolarHBondContact OD1-CA 3.48Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 PolarHBondContact OD1-N 2.91Å; D211-R213 IonicContact OD2-CZ 3.49Å; D211-R213 IonicContact OD2-NE 3.22Å; D211-R213 PolarHBondContact OD2-NE 2.68Å; D211-R213 IonicContact OD2-NH2 2.88Å; D211-R213 PolarHBondContact OD2-NH2 3.02Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.93Å |
| 214 | G | 91.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 58.6 | 35.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q177 G178 C180 D211 | Q177-G214 WeakPolarHBondContact O-CA 3.23Å; G178-G214 CarbonylContact C-O 3.48Å; G178-G214 VanDerWaalsContact C-O 3.28Å; G178-G214 WeakPolarHBondContact CA-O 3.32Å; C180-G214 WeakPolarHBondContact CB-O 3.42Å; C180-G214 PolarHBondContact N-O 3.48Å; D211-G214 WeakPolarHBondContact O-CA 3.39Å; D211-G214 PolarHBondContact O-N 3.08Å; D211-G214 PolarHBondContact OD1-N 2.92Å |
| 215 | L | 93.8 | Very high | 92.2 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 162.2 | 159.1 | -63.6 | 179 | 0 | 0 | 0 | 109.9 | P179 C210 D211 R213 T237 W238 | P179-L215 HydrophobicContact CG-CD2 4.14Å; C210-L215 CarbonylContact C-O 3.54Å; C210-L215 VanDerWaalsContact CA-O 3.3Å; C210-L215 WeakPolarHBondContact CA-O 3.39Å; D211-L215 PolarHBondContact N-O 2.73Å; D211-L215 PolarHBondContact OD1-N 2.91Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.93Å; L215-T237 WeakPolarHBondContact CB-O 3.34Å; L215-W238 HydrophobicContact CD2-CE3 3.86Å; L215-W238 HydrophobicContact CD2-CZ3 4.27Å |
| 216 | Y | 94.4 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 136.7 | 179.1 | -61.2 | -92.8 | 0 | 0 | 0 | 110.4 | P179 C180 E183 T237 G240 | P179-Y216 HydrophobicContact CB-CE2 4.12Å; P179-Y216 HydrophobicContact CG-CE2 4.17Å; C180-Y216 HydrophobicContact CB-CD1 3.72Å; C180-Y216 HydrophobicContact CB-CD2 3.89Å; C180-Y216 HydrophobicContact CB-CE1 3.78Å; C180-Y216 HydrophobicContact CB-CE2 3.93Å; C180-Y216 HydrophobicContact CB-CG 3.79Å; C180-Y216 VanDerWaalsContact SG-CD1 3.5Å; E183-Y216 WeakPolarHBondContact OE2-CE1 3.41Å; E183-Y216 VanDerWaalsContact OE2-CZ 3.23Å; E183-Y216 PolarHBondContact OE2-OH 3.37Å; Y216-T237 PolarHBondContact N-O 3.33Å; Y216-T237 WeakPolarHBondContact O-CA 3.32Å; Y216-T237 WeakPolarHBondContact O-CB 3.43Å; Y216-G240 VanDerWaalsContact CD2-N 3.32Å |
| 217 | K | 93.8 | Very high | 91.7 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 144.6 | 161.7 | -70.2 | -114 | -178.9 | -176.5 | 0 | 109.2 | N209 K219 Q220 V235 | N209-K217 HydrophobicContact CB-CB 4.27Å; N209-K217 HydrophobicContact CB-CG 4.49Å; N209-K217 WeakPolarHBondContact O-CB 3.24Å; N209-K217 PolarHBondContact O-N 3.31Å; K217-K219 VanDerWaalsContact C-N 3.27Å; K217-K219 PolarHBondContact O-N 3Å; K217-Q220 PolarHBondContact O-NE2 3.2Å; K217-V235 WeakPolarHBondContact O-CG2 3.43Å |
| 218 | P | 92.4 | Very high | 91.2 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -55.5 | -41.1 | -179.2 | -28.3 | 34.8 | 0 | 0 | 0 | 113.2 | C234 V235 T237 C254 | P218-C234 CarbonylContact O-C 3.56Å; P218-C234 VanDerWaalsContact O-CA 3.24Å; P218-C234 WeakPolarHBondContact O-CA 3.27Å; P218-V235 PolarHBondContact O-N 3.11Å; P218-T237 HydrophobicContact CG-CG2 3.87Å; P218-C254 VanDerWaalsContact C-SG 3.59Å; P218-C254 HydrophobicContact CB-CB 3.6Å; P218-C254 PolarHBondContact O-SG 3.42Å |
| 219 | K | 90.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.3 | 177.9 | -170.6 | 164.3 | 65.9 | 179.9 | 0 | 111.7 | K217 C232 A250 | K217-K219 VanDerWaalsContact C-N 3.27Å; K217-K219 PolarHBondContact O-N 3Å; K219-C232 HydrophobicContact CG-CB 4.44Å; K219-A250 PolarHBondContact NZ-O 3.45Å |
| 220 | Q | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.6 | 175.1 | -62.8 | -59.1 | -40.2 | 0 | 0 | 109.5 | Y206 N209 K217 C232 W233 V235 | Y206-Q220 HydrophobicContact CE2-CB 4.1Å; Y206-Q220 PolarHBondContact OH-OE1 3.21Å; N209-Q220 PolarHBondContact O-NE2 3.2Å; K217-Q220 PolarHBondContact O-NE2 3.2Å; Q220-C232 CarbonylContact O-C 3.5Å; Q220-C232 WeakPolarHBondContact O-CA 3.32Å; Q220-C232 WeakPolarHBondContact O-CB 3.33Å; Q220-W233 HydrophobicContact CB-CD2 4.15Å; Q220-W233 HydrophobicContact CB-CG 4.46Å; Q220-W233 HydrophobicContact CB-CZ2 3.88Å; Q220-W233 PolarHBondContact N-O 3.39Å; Q220-W233 PolarHBondContact O-N 3.07Å; Q220-V235 HydrophobicContact CB-CG1 4.37Å; Q220-V235 HydrophobicContact CG-CB 4.34Å; Q220-V235 HydrophobicContact CG-CG1 3.76Å; Q220-V235 HydrophobicContact CG-CG2 3.58Å |
| 221 | C | 91.6 | Very high | 89.9 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.5 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | R231 C232 | C221-R231 CarbonylContact C-O 3.28Å; C221-R231 VanDerWaalsContact CA-O 3.22Å; C221-R231 WeakPolarHBondContact CA-O 3.23Å; C221-C232 HydrophobicContact CB-CB 4.12Å; C221-C232 WeakPolarHBondContact CB-SG 3.49Å; C221-C232 WeakPolarHBondContact SG-CB 3.48Å; C221-C232 CovalentContact SG-SG 2.05Å; C221-C232 PolarHBondContact SG-SG 3.02Å |
| 222 | E | 91.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 145.6 | 164.2 | -83 | 169.5 | 175.4 | 0 | 0 | 110.7 | G230 R231 W233 | E222-G230 WeakPolarHBondContact O-CA 3.3Å; E222-R231 PolarHBondContact N-O 2.96Å; E222-R231 IonicContact OE1-CZ 2.68Å; E222-R231 IonicContact OE1-NE 2.99Å; E222-R231 IonicContact OE1-NH2 3.4Å; E222-R231 PolarHBondContact OE1-NH2 2.69Å; E222-R231 IonicContact OE2-CZ 3.79Å; E222-R231 IonicContact OE2-NE 3.39Å; E222-R231 PolarHBondContact OE2-NE 2.96Å; E222-R231 IonicContact OE2-NH2 3.72Å; E222-R231 PolarHBondContact OE2-NH2 3.39Å; E222-W233 HydrophobicContact CG-CH2 4.12Å; E222-W233 HydrophobicContact CG-CZ3 3.95Å |
| 223 | S | 90.5 | Very high | 89.8 | Confident | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.6 | 166.7 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | K204 F205 | K204-S223 WeakPolarHBondContact CA-O 3.33Å; F205-S223 VanDerWaalsContact CE2-CB 3.5Å; F205-S223 PolarHBondContact N-O 3.23Å; F205-S223 VanDerWaalsContact N-O 3.11Å; F205-S223 PolarHBondContact O-N 3.49Å |
| 224 | S | 90.2 | Very high | 89.9 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.2 | 179.7 | -140.4 | 0 | 0 | 0 | 0 | 110.9 | T203 K204 D226 Q228 | T203-S224 CarbonylContact O-C 3.53Å; T203-S224 WeakPolarHBondContact O-CA 3.32Å; K204-S224 WeakPolarHBondContact CE-OG 3.14Å; S224-D226 WeakPolarHBondContact CB-OD1 3.4Å; S224-D226 PolarHBondContact OG-OD1 3.17Å; S224-Q228 WeakPolarHBondContact CB-O 3.33Å |
| 225 | L | 90.4 | Very high | 90 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -102 | -0.3 | 178.5 | -58.3 | -178.4 | 0 | 0 | 0 | 112.6 | I35 C37 A38 C64 F202 T203 F205 | I35-L225 HydrophobicContact CG2-CD1 3.65Å; I35-L225 HydrophobicContact CG2-CD2 3.59Å; I35-L225 HydrophobicContact CG2-CG 4.3Å; C37-L225 CarbonylContact C-O 3.53Å; C37-L225 WeakPolarHBondContact CA-O 3.49Å; A38-L225 PolarHBondContact N-O 3.44Å; C64-L225 VanDerWaalsContact CB-O 3.23Å; C64-L225 WeakPolarHBondContact CB-O 3.05Å; C64-L225 PolarHBondContact SG-O 2.91Å; C64-L225 VanDerWaalsContact SG-O 3.32Å; F202-L225 HydrophobicContact CD1-CD1 4.27Å; F202-L225 HydrophobicContact CE1-CD1 4.47Å; F202-L225 WeakPolarHBondContact O-CD1 3.43Å; T203-L225 PolarHBondContact O-N 3.03Å; F205-L225 HydrophobicContact CE1-CD1 4.02Å; F205-L225 HydrophobicContact CE1-CD2 4.01Å; F205-L225 HydrophobicContact CE1-CG 3.95Å |
| 226 | D | 88 | Confident | 89.9 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -100.5 | 9.2 | 179.6 | 63.2 | -0.2 | 0 | 0 | 0 | 113.1 | A38 S224 Q228 | A38-D226 HydrophobicContact CB-CB 4.25Å; S224-D226 WeakPolarHBondContact CB-OD1 3.4Å; S224-D226 PolarHBondContact OG-OD1 3.17Å; D226-Q228 PolarHBondContact O-N 2.96Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.13Å |
| 227 | G | 84.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 79.2 | -3.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C64 | C64-G227 WeakPolarHBondContact O-CA 3.41Å; C64-G227 PolarHBondContact O-N 3.33Å |
| 228 | Q | 84.2 | Confident | 89.5 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 148.5 | 174.2 | -59.8 | -153.5 | -63.9 | 0 | 0 | 111.6 | S224 D226 G230 | S224-Q228 WeakPolarHBondContact CB-O 3.33Å; D226-Q228 PolarHBondContact O-N 2.96Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; D226-Q228 PolarHBondContact OD1-N 3.13Å; Q228-G230 PolarHBondContact O-N 3.38Å |
| 229 | K | 83.3 | Confident | 89.3 | Confident | 174 Ų | 174 | 56.4 Ų | 56.4 | 76% | 0.757 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 125.6 | 167.1 | -69.5 | -174.3 | 179.8 | -178.8 | 0 | 108.8 | ||
| 230 | G | 84.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 157 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E222 Q228 | E222-G230 WeakPolarHBondContact O-CA 3.3Å; Q228-G230 PolarHBondContact O-N 3.38Å |
| 231 | R | 87.9 | Confident | 89.1 | Confident | 141 Ų | 141 | 60.9 Ų | 60.9 | 53% | 0.532 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 143.4 | 175 | -65.7 | 177.8 | -67.8 | -177.3 | 5.4 | 109.7 | C221 E222 W233 | C221-R231 CarbonylContact C-O 3.28Å; C221-R231 VanDerWaalsContact CA-O 3.22Å; C221-R231 WeakPolarHBondContact CA-O 3.23Å; E222-R231 PolarHBondContact N-O 2.96Å; E222-R231 IonicContact OE1-CZ 2.68Å; E222-R231 IonicContact OE1-NE 2.99Å; E222-R231 IonicContact OE1-NH2 3.4Å; E222-R231 PolarHBondContact OE1-NH2 2.69Å; E222-R231 IonicContact OE2-CZ 3.79Å; E222-R231 IonicContact OE2-NE 3.39Å; E222-R231 PolarHBondContact OE2-NE 2.96Å; E222-R231 IonicContact OE2-NH2 3.72Å; E222-R231 PolarHBondContact OE2-NH2 3.39Å; R231-W233 WeakPolarHBondContact O-CZ3 3.41Å |
| 232 | C | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.5 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | K219 Q220 C221 L248 | K219-C232 HydrophobicContact CG-CB 4.44Å; Q220-C232 CarbonylContact O-C 3.5Å; Q220-C232 WeakPolarHBondContact O-CA 3.32Å; Q220-C232 WeakPolarHBondContact O-CB 3.33Å; C221-C232 HydrophobicContact CB-CB 4.12Å; C221-C232 WeakPolarHBondContact CB-SG 3.49Å; C221-C232 WeakPolarHBondContact SG-CB 3.48Å; C221-C232 CovalentContact SG-SG 2.05Å; C221-C232 PolarHBondContact SG-SG 3.02Å; C232-L248 PolarHBondContact O-N 3.39Å; C232-L248 VanDerWaalsContact O-N 3.1Å |
| 233 | W | 90.5 | Very high | 88.4 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 162.4 | -179.7 | 62.8 | 93.2 | 0 | 0 | 0 | 112 | Y206 Q220 E222 R231 L242 | Y206-W233 AromaticContact CD2-CH2 3.55Å; Y206-W233 HydrophobicContact CD2-CH2 3.55Å; Y206-W233 AromaticContact CD2-CZ2 3.68Å; Y206-W233 HydrophobicContact CD2-CZ2 3.68Å; Y206-W233 AromaticContact CE2-CH2 3.83Å; Y206-W233 HydrophobicContact CE2-CH2 3.83Å; Y206-W233 AromaticContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CE2-CZ2 3.49Å; Y206-W233 VanDerWaalsContact CE2-CZ2 3.49Å; Y206-W233 HydrophobicContact CG-CH2 4.2Å; Y206-W233 HydrophobicContact CG-CZ2 4.32Å; Y206-W233 AromaticContact CZ-CZ2 3.96Å; Q220-W233 HydrophobicContact CB-CD2 4.15Å; Q220-W233 HydrophobicContact CB-CG 4.46Å; Q220-W233 HydrophobicContact CB-CZ2 3.88Å; Q220-W233 PolarHBondContact N-O 3.39Å; Q220-W233 PolarHBondContact O-N 3.07Å; E222-W233 HydrophobicContact CG-CH2 4.12Å; E222-W233 HydrophobicContact CG-CZ3 3.95Å; R231-W233 WeakPolarHBondContact O-CZ3 3.41Å; W233-L242 HydrophobicContact CB-CD1 3.62Å; W233-L242 VanDerWaalsContact CD1-CD1 3.43Å; W233-L242 HydrophobicContact CG-CD1 3.76Å |
| 234 | C | 91.9 | Very high | 87.1 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.9 | 176.8 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | P218 L242 L243 L248 C254 | P218-C234 CarbonylContact O-C 3.56Å; P218-C234 VanDerWaalsContact O-CA 3.24Å; P218-C234 WeakPolarHBondContact O-CA 3.27Å; C234-L242 WeakPolarHBondContact O-CA 3.4Å; C234-L243 PolarHBondContact O-N 3.04Å; C234-L248 HydrophobicContact CB-CD1 4.45Å; C234-L248 WeakPolarHBondContact SG-CD1 3.33Å; C234-C254 VanDerWaalsContact CA-SG 3.53Å; C234-C254 HydrophobicContact CB-CB 3.89Å; C234-C254 WeakPolarHBondContact CB-SG 3.46Å; C234-C254 WeakPolarHBondContact SG-CA 3.38Å; C234-C254 WeakPolarHBondContact SG-CB 3.25Å; C234-C254 CovalentContact SG-SG 2.03Å; C234-C254 PolarHBondContact SG-SG 3.02Å |
| 235 | V | 92.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -123.3 | 156 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | K217 P218 Q220 G240 K241 L243 | K217-V235 WeakPolarHBondContact O-CG2 3.43Å; P218-V235 PolarHBondContact O-N 3.11Å; Q220-V235 HydrophobicContact CB-CG1 4.37Å; Q220-V235 HydrophobicContact CG-CB 4.34Å; Q220-V235 HydrophobicContact CG-CG1 3.76Å; Q220-V235 HydrophobicContact CG-CG2 3.58Å; V235-G240 WeakPolarHBondContact CG1-O 3.39Å; V235-K241 CarbonylContact C-O 3.5Å; V235-K241 VanDerWaalsContact CA-O 3.27Å; V235-K241 WeakPolarHBondContact CA-O 3.36Å; V235-L243 WeakPolarHBondContact O-CD1 3.33Å |
| 236 | N | 91.9 | Very high | 84 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | trans | -69.3 | 130.1 | 167.3 | -178.9 | -48.4 | 0 | 0 | 0 | 109.5 | W238 N239 G240 K241 L243 | N236-W238 PolarHBondContact O-N 3.1Å; N236-W238 PolarHBondContact OD1-N 2.85Å; N236-N239 WeakPolarHBondContact CB-OD1 3.4Å; N236-N239 PolarHBondContact O-N 3.08Å; N236-G240 WeakPolarHBondContact O-CA 3.43Å; N236-G240 PolarHBondContact O-N 2.83Å; N236-K241 PolarHBondContact N-O 3.28Å; N236-L243 HydrophobicContact CB-CD2 4.02Å; N236-L243 HydrophobicContact CB-CG 4.34Å | ||
| 237 | T | 92.1 | Very high | 82.7 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.1 | -173.9 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | L215 Y216 P218 | L215-T237 WeakPolarHBondContact CB-O 3.34Å; Y216-T237 PolarHBondContact N-O 3.33Å; Y216-T237 WeakPolarHBondContact O-CA 3.32Å; Y216-T237 WeakPolarHBondContact O-CB 3.43Å; P218-T237 HydrophobicContact CG-CG2 3.87Å |
| 238 | W | 88.1 | Confident | 81.6 | Confident | 176 Ų | 176 | 77 Ų | 77 | 67% | 0.667 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -39.9 | -175.8 | 172.6 | -99.8 | 0 | 0 | 0 | 113.5 | P179 L215 N236 | P179-W238 WeakPolarHBondContact CG-O 3.45Å; L215-W238 HydrophobicContact CD2-CE3 3.86Å; L215-W238 HydrophobicContact CD2-CZ3 4.27Å; N236-W238 PolarHBondContact O-N 3.1Å; N236-W238 PolarHBondContact OD1-N 2.85Å |
| 239 | N | 87.8 | Confident | 80.7 | Confident | 71 Ų | 71 | 78 Ų | 78 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 0.8 | -170.3 | 66.3 | 17.5 | 0 | 0 | 0 | 114.7 | N236 K241 | N236-N239 WeakPolarHBondContact CB-OD1 3.4Å; N236-N239 PolarHBondContact O-N 3.08Å; N239-K241 PolarHBondContact O-N 3.04Å; N239-K241 VanDerWaalsContact O-N 3.11Å; N239-K241 VanDerWaalsContact OD1-CB 3.27Å; N239-K241 WeakPolarHBondContact OD1-CB 3.29Å; N239-K241 WeakPolarHBondContact OD1-CG 3.32Å; N239-K241 PolarHBondContact OD1-N 3.02Å |
| 240 | G | 89.1 | Confident | 79.5 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | trans | 68.7 | 6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y216 V235 N236 | Y216-G240 VanDerWaalsContact CD2-N 3.32Å; V235-G240 WeakPolarHBondContact CG1-O 3.39Å; N236-G240 WeakPolarHBondContact O-CA 3.43Å; N236-G240 PolarHBondContact O-N 2.83Å | ||
| 241 | K | 90.7 | Very high | 78.3 | Confident | 147 Ų | 147 | 77.1 Ų | 77.1 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | trans | -72.2 | 137.7 | 179.6 | -70.7 | -170.9 | 174.4 | -173.7 | 0 | 111 | V235 N236 N239 L243 | V235-K241 CarbonylContact C-O 3.5Å; V235-K241 VanDerWaalsContact CA-O 3.27Å; V235-K241 WeakPolarHBondContact CA-O 3.36Å; N236-K241 PolarHBondContact N-O 3.28Å; N239-K241 PolarHBondContact O-N 3.04Å; N239-K241 VanDerWaalsContact O-N 3.11Å; N239-K241 VanDerWaalsContact OD1-CB 3.27Å; N239-K241 WeakPolarHBondContact OD1-CB 3.29Å; N239-K241 WeakPolarHBondContact OD1-CG 3.32Å; N239-K241 PolarHBondContact OD1-N 3.02Å; K241-L243 PolarHBondContact O-N 3.23Å | ||
| 242 | L | 88.5 | Confident | 77.4 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -56.5 | 128.1 | 176.3 | -169.7 | 70.4 | 0 | 0 | 0 | 111.1 | W233 C234 S244 | W233-L242 HydrophobicContact CB-CD1 3.62Å; W233-L242 VanDerWaalsContact CD1-CD1 3.43Å; W233-L242 HydrophobicContact CG-CD1 3.76Å; C234-L242 WeakPolarHBondContact O-CA 3.4Å; L242-S244 WeakPolarHBondContact CD1-O 3.46Å; L242-S244 WeakPolarHBondContact CG-O 3.25Å |
| 243 | L | 80.1 | Confident | 76.6 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -86.4 | -27.5 | 178.8 | -71.8 | 171.5 | 0 | 0 | 0 | 112.7 | C234 V235 N236 K241 | C234-L243 PolarHBondContact O-N 3.04Å; V235-L243 WeakPolarHBondContact O-CD1 3.33Å; N236-L243 HydrophobicContact CB-CD2 4.02Å; N236-L243 HydrophobicContact CB-CG 4.34Å; K241-L243 PolarHBondContact O-N 3.23Å |
| 244 | S | 63.1 | Low | 76.2 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | trans | -159 | 147.7 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L242 S246 | L242-S244 WeakPolarHBondContact CD1-O 3.46Å; L242-S244 WeakPolarHBondContact CG-O 3.25Å; S244-S246 PolarHBondContact O-N 3.42Å; S244-S246 PolarHBondContact OG-OG 3.48Å | ||
| 245 | S | 57.8 | Low | 75.3 | Confident | 112 Ų | 112 | 85.8 Ų | 85.8 | 78% | 0.783 | 48% | 0.482 | S | S | * | . | trans | -74.7 | 25.2 | -177.5 | -177.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | S | 57.3 | Low | 74.4 | Confident | 59 Ų | 59 | 90 Ų | 90 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | trans | -94.2 | 116.6 | -175.4 | -41.2 | 0 | 0 | 0 | 0 | 109.4 | S244 L248 | S244-S246 PolarHBondContact O-N 3.42Å; S244-S246 PolarHBondContact OG-OG 3.48Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å | ||
| 247 | D | 61.4 | Low | 73.5 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | trans | -54.8 | 103.7 | 158.1 | -76.7 | -46.1 | 0 | 0 | 0 | 106.7 | ||||
| 248 | L | 62 | Low | 72.5 | Confident | 47 Ų | 47 | 93 Ų | 93 | 25% | 0.246 | 52% | 0.521 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 139 | -179.1 | -75.8 | 179.6 | 0 | 0 | 0 | 109 | C232 C234 S246 A250 A252 | C232-L248 PolarHBondContact O-N 3.39Å; C232-L248 VanDerWaalsContact O-N 3.1Å; C234-L248 HydrophobicContact CB-CD1 4.45Å; C234-L248 WeakPolarHBondContact SG-CD1 3.33Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å; L248-A250 PolarHBondContact O-N 3.08Å; L248-A252 HydrophobicContact CB-CB 3.98Å; L248-A252 HydrophobicContact CD1-CB 4.17Å; L248-A252 HydrophobicContact CD2-CB 3.99Å; L248-A252 HydrophobicContact CG-CB 4.28Å |
| 249 | P | 63.5 | Low | 71.5 | Confident | 92 Ų | 92 | 88.1 Ų | 88.1 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | trans | -49.8 | 142.5 | 161.4 | -22 | 31.8 | 0 | 0 | 0 | 109.3 | D251 A252 | P249-D251 PolarHBondContact O-N 2.99Å; P249-A252 WeakPolarHBondContact O-CB 3.24Å; P249-A252 PolarHBondContact O-N 3.43Å | ||
| 250 | A | 58.5 | Low | 70.5 | Confident | 35 Ų | 35 | 89.2 Ų | 89.2 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K219 L248 | K219-A250 PolarHBondContact NZ-O 3.45Å; L248-A250 PolarHBondContact O-N 3.08Å |
| 251 | D | 59.9 | Low | 69.3 | Low | 143 Ų | 143 | 93.7 Ų | 93.7 | 77% | 0.765 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.8 | -176.6 | -53.6 | -47.3 | 0 | 0 | 0 | 114.2 | P249 | P249-D251 PolarHBondContact O-N 2.99Š|
| 252 | A | 68.2 | Low | 67.8 | Low | 25 Ų | 25 | 89.9 Ų | 89.9 | 21% | 0.207 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 138.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L248 P249 | L248-A252 HydrophobicContact CB-CB 3.98Å; L248-A252 HydrophobicContact CD1-CB 4.17Å; L248-A252 HydrophobicContact CD2-CB 3.99Å; L248-A252 HydrophobicContact CG-CB 4.28Å; P249-A252 WeakPolarHBondContact O-CB 3.24Å; P249-A252 PolarHBondContact O-N 3.43Å |
| 253 | E | 74.6 | Confident | 66.2 | Low | 182 Ų | 182 | 89.6 Ų | 89.6 | 85% | 0.85 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -81 | 136.8 | 172.1 | -148.9 | 89.8 | -138.5 | 0 | 0 | 108.9 | ||
| 254 | C | 82.6 | Confident | 65 | Low | 23 Ų | 23 | 89.2 Ų | 89.2 | 16% | 0.155 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 141 | 170.6 | -72 | 0 | 0 | 0 | 0 | 109.9 | P218 C234 | P218-C254 VanDerWaalsContact C-SG 3.59Å; P218-C254 HydrophobicContact CB-CB 3.6Å; P218-C254 PolarHBondContact O-SG 3.42Å; C234-C254 VanDerWaalsContact CA-SG 3.53Å; C234-C254 HydrophobicContact CB-CB 3.89Å; C234-C254 WeakPolarHBondContact CB-SG 3.46Å; C234-C254 WeakPolarHBondContact SG-CA 3.38Å; C234-C254 WeakPolarHBondContact SG-CB 3.25Å; C234-C254 CovalentContact SG-SG 2.03Å; C234-C254 PolarHBondContact SG-SG 3.02Å |
| 255 | P | 71.3 | Confident | 65.2 | Low | 162 Ų | 162 | 90.8 Ų | 90.8 | 100% | 1.052 | 55% | 0.545 | S | S | * | . | trans | -64 | 0 | 175.3 | 27.8 | -33.8 | 0 | 0 | 0 | 112.9 |
Retrieved 255 of 255 residues in 50.5 ms
(Link to these results)