| 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 | 45.3 | Very low | 54.8 | Low | 216 Ų | 216 | 136 Ų | 136 | 100% | 1.064 | 68% | 0.678 | S | S | * | * | 0 | 83.8 | 0 | -88.6 | 163.8 | 163.6 | 0 | 0 | 107.4 | D3 | M1-D3 WeakPolarHBondContact CB-OD2 3.35Š| |||
| 2 | M | 39.7 | Very low | 54.8 | Low | 194 Ų | 194 | 130.8 Ų | 130.8 | 96% | 0.956 | 66% | 0.664 | S | S | * | * | trans | -115.7 | 87.4 | 163 | -84.9 | 97 | 141.2 | 0 | 0 | 104.7 | ||||
| 3 | D | 48.4 | Very low | 55.2 | Low | 115 Ų | 115 | 131.8 Ų | 131.8 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | trans | -92.7 | 103.2 | -172 | -64.8 | -75.3 | 0 | 0 | 0 | 110.2 | M1 P5 | M1-D3 WeakPolarHBondContact CB-OD2 3.35Å; D3-P5 VanDerWaalsContact C-CD 3.45Å; D3-P5 WeakPolarHBondContact O-CD 3.32Å | ||
| 4 | S | 59.2 | Low | 55.5 | Low | 72 Ų | 72 | 125.4 Ų | 125.4 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | 61.4 | 31.9 | 129.1 | -37.5 | 0 | 0 | 0 | 0 | 121.6 | F6 | S4-F6 PolarHBondContact O-N 3.4Š| |||
| 5 | P | 59.4 | Low | 55.7 | Low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72 | -20.8 | 175.8 | 30.8 | -33.9 | 0 | 0 | 0 | 113 | D3 | D3-P5 VanDerWaalsContact C-CD 3.45Å; D3-P5 WeakPolarHBondContact O-CD 3.32Å |
| 6 | F | 58.2 | Low | 55.9 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 74% | 0.741 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.2 | -29.5 | -176.5 | -172.7 | -103.8 | 0 | 0 | 0 | 113.2 | S4 W10 | S4-F6 PolarHBondContact O-N 3.4Å; F6-W10 PolarHBondContact O-N 2.98Å |
| 7 | L | 56.1 | Low | 56.2 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 56% | 0.555 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.8 | -38.2 | -175 | -135.3 | 157.3 | 0 | 0 | 0 | 111.5 | L9 W10 Q11 | L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 2.97Å; L7-W10 PolarHBondContact O-N 3.08Å; L7-Q11 PolarHBondContact O-N 3.44Å; L7-Q11 VanDerWaalsContact O-N 3.09Å |
| 8 | E | 59 | Low | 56.4 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.7 | -38.4 | 174.2 | -71.6 | -71.4 | 115.2 | 0 | 0 | 112.4 | S12 | E8-S12 WeakPolarHBondContact O-CB 3.23Å; E8-S12 PolarHBondContact O-N 3.05Å; E8-S12 PolarHBondContact O-OG 3.39Å |
| 9 | L | 58.6 | Low | 56.3 | Low | 111 Ų | 111 | 123.1 Ų | 123.1 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.7 | -38.1 | 179.6 | -171.2 | 67 | 0 | 0 | 0 | 111.6 | L7 K13 | L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 2.97Å; L9-K13 WeakPolarHBondContact O-CB 3.37Å; L9-K13 PolarHBondContact O-N 3.03Å |
| 10 | W | 58.7 | Low | 56.3 | Low | 179 Ų | 179 | 125.4 Ų | 125.4 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.4 | -40.3 | 178.7 | -167.8 | 85.7 | 0 | 0 | 0 | 111.9 | F6 L7 K13 A14 | F6-W10 PolarHBondContact O-N 2.98Å; L7-W10 PolarHBondContact O-N 3.08Å; W10-K13 PolarHBondContact O-N 3.21Å; W10-A14 WeakPolarHBondContact O-CB 3.47Å; W10-A14 PolarHBondContact O-N 3.35Å |
| 11 | Q | 59.7 | Low | 56.4 | Low | 99 Ų | 99 | 125.3 Ų | 125.3 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.6 | -43.2 | 172.5 | -78.4 | -177.8 | -68.7 | 0 | 0 | 111.8 | L7 K13 A14 V15 | L7-Q11 PolarHBondContact O-N 3.44Å; L7-Q11 VanDerWaalsContact O-N 3.09Å; Q11-K13 VanDerWaalsContact C-N 3.33Å; Q11-K13 PolarHBondContact O-N 3.43Å; Q11-A14 PolarHBondContact O-N 3.4Å; Q11-V15 WeakPolarHBondContact O-CB 3.47Å; Q11-V15 VanDerWaalsContact O-CG2 3.25Å; Q11-V15 WeakPolarHBondContact O-CG2 3.44Å; Q11-V15 PolarHBondContact O-N 3.01Å |
| 12 | S | 55.6 | Low | 56.8 | Low | 74 Ų | 74 | 118.2 Ų | 118.2 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | E8 S16 | E8-S12 WeakPolarHBondContact O-CB 3.23Å; E8-S12 PolarHBondContact O-N 3.05Å; E8-S12 PolarHBondContact O-OG 3.39Å; S12-S16 WeakPolarHBondContact O-CB 3.38Å; S12-S16 PolarHBondContact O-N 3.45Å |
| 13 | K | 59.3 | Low | 57.7 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 62% | 0.622 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.6 | -42.2 | 175.1 | -86.7 | -83.4 | 179.4 | 175.4 | 0 | 112.3 | L9 W10 Q11 S16 I17 | L9-K13 WeakPolarHBondContact O-CB 3.37Å; L9-K13 PolarHBondContact O-N 3.03Å; W10-K13 PolarHBondContact O-N 3.21Å; Q11-K13 VanDerWaalsContact C-N 3.33Å; Q11-K13 PolarHBondContact O-N 3.43Å; K13-S16 PolarHBondContact O-N 3.2Å; K13-I17 WeakPolarHBondContact O-CB 3.44Å; K13-I17 WeakPolarHBondContact O-CG1 3.29Å; K13-I17 PolarHBondContact O-N 2.85Å |
| 14 | A | 59.8 | Low | 57.8 | Low | 42 Ų | 42 | 112.3 Ų | 112.3 | 35% | 0.347 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W10 Q11 R18 | W10-A14 WeakPolarHBondContact O-CB 3.47Å; W10-A14 PolarHBondContact O-N 3.35Å; Q11-A14 PolarHBondContact O-N 3.4Å; A14-R18 WeakPolarHBondContact O-CB 3.37Å; A14-R18 PolarHBondContact O-N 3.28Å |
| 15 | V | 58.5 | Low | 57.7 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.9 | -45.2 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | Q11 I17 R18 E19 | Q11-V15 WeakPolarHBondContact O-CB 3.47Å; Q11-V15 VanDerWaalsContact O-CG2 3.25Å; Q11-V15 WeakPolarHBondContact O-CG2 3.44Å; Q11-V15 PolarHBondContact O-N 3.01Å; V15-I17 PolarHBondContact O-N 2.88Å; V15-R18 WeakPolarHBondContact O-CB 3.05Å; V15-R18 PolarHBondContact O-N 3.48Å; V15-R18 VanDerWaalsContact O-N 3.17Å; V15-E19 WeakPolarHBondContact O-CG 3.45Å; V15-E19 PolarHBondContact O-N 3.24Å |
| 16 | S | 58.1 | Low | 57.4 | Low | 68 Ų | 68 | 120.5 Ų | 120.5 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -38.2 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 113.6 | S12 K13 R18 E19 Q20 | S12-S16 WeakPolarHBondContact O-CB 3.38Å; S12-S16 PolarHBondContact O-N 3.45Å; K13-S16 PolarHBondContact O-N 3.2Å; S16-R18 VanDerWaalsContact C-N 3.26Å; S16-R18 PolarHBondContact O-N 2.85Å; S16-E19 PolarHBondContact O-N 2.97Å; S16-Q20 PolarHBondContact O-N 3.04Å; S16-Q20 VanDerWaalsContact O-N 3.15Å |
| 17 | I | 61 | Low | 57.1 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 52% | 0.523 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.5 | -35.5 | 174.6 | -66.6 | -84.4 | 0 | 0 | 0 | 110.6 | K13 V15 Q20 L21 | K13-I17 WeakPolarHBondContact O-CB 3.44Å; K13-I17 WeakPolarHBondContact O-CG1 3.29Å; K13-I17 PolarHBondContact O-N 2.85Å; V15-I17 PolarHBondContact O-N 2.88Å; I17-Q20 PolarHBondContact O-N 2.77Å; I17-L21 HydrophobicContact CG2-CD1 4.17Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.37Å |
| 18 | R | 59.8 | Low | 57.1 | Low | 177 Ų | 177 | 116.5 Ų | 116.5 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | -179.3 | -157.8 | 172 | 175.6 | -124.2 | -2.7 | 112.3 | A14 V15 S16 L21 | A14-R18 WeakPolarHBondContact O-CB 3.37Å; A14-R18 PolarHBondContact O-N 3.28Å; V15-R18 WeakPolarHBondContact O-CB 3.05Å; V15-R18 PolarHBondContact O-N 3.48Å; V15-R18 VanDerWaalsContact O-N 3.17Å; S16-R18 VanDerWaalsContact C-N 3.26Å; S16-R18 PolarHBondContact O-N 2.85Å; R18-L21 PolarHBondContact O-N 3.06Å |
| 19 | E | 55.2 | Low | 56.9 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.9 | -41.1 | 172 | -69.1 | -66.5 | 117.8 | 0 | 0 | 111.8 | V15 S16 L21 G22 | V15-E19 WeakPolarHBondContact O-CG 3.45Å; V15-E19 PolarHBondContact O-N 3.24Å; S16-E19 PolarHBondContact O-N 2.97Å; E19-L21 VanDerWaalsContact C-N 3.26Å; E19-L21 PolarHBondContact O-N 2.75Å; E19-G22 PolarHBondContact O-N 2.74Å |
| 20 | Q | 56.5 | Low | 56.9 | Low | 169 Ų | 169 | 115 Ų | 115 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.8 | -20.3 | -178.7 | -163.4 | 169.6 | -37.1 | 0 | 0 | 113.4 | S16 I17 G22 | S16-Q20 PolarHBondContact O-N 3.04Å; S16-Q20 VanDerWaalsContact O-N 3.15Å; I17-Q20 PolarHBondContact O-N 2.77Å; Q20-G22 VanDerWaalsContact C-N 3.31Å |
| 21 | L | 58.3 | Low | 56.8 | Low | 124 Ų | 124 | 115.2 Ų | 115.2 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 6 | 176 | -74 | 170.2 | 0 | 0 | 0 | 113.8 | I17 R18 E19 L23 | I17-L21 HydrophobicContact CG2-CD1 4.17Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.37Å; R18-L21 PolarHBondContact O-N 3.06Å; E19-L21 VanDerWaalsContact C-N 3.26Å; E19-L21 PolarHBondContact O-N 2.75Å; L21-L23 PolarHBondContact O-N 2.9Å |
| 22 | G | 53.8 | Low | 56.6 | Low | 68 Ų | 68 | 115.5 Ų | 115.5 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 20.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E19 Q20 G24 | E19-G22 PolarHBondContact O-N 2.74Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; G22-G24 PolarHBondContact O-N 2.82Å |
| 23 | L | 59.3 | Low | 56.4 | Low | 130 Ų | 130 | 119.8 Ų | 119.8 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | trans | -83.5 | 50.3 | 171.1 | -96 | 150.1 | 0 | 0 | 0 | 109.4 | L21 D25 | L21-L23 PolarHBondContact O-N 2.9Å; L23-D25 PolarHBondContact O-N 3.32Å | ||
| 24 | G | 50.5 | Low | 56.3 | Low | 55 Ų | 55 | 117.5 Ų | 117.5 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | trans | -67.5 | 125.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | G22 R26 | G22-G24 PolarHBondContact O-N 2.82Å; G24-R26 PolarHBondContact O-N 3.43Å | ||
| 25 | D | 56.3 | Low | 56 | Low | 161 Ų | 161 | 118.9 Ų | 118.9 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -38.5 | 97.2 | 179.1 | -165.2 | 65.4 | 0 | 0 | 0 | 113.4 | L23 | L23-D25 PolarHBondContact O-N 3.32Š|
| 26 | R | 52.8 | Low | 55.7 | Low | 193 Ų | 193 | 117.4 Ų | 117.4 | 73% | 0.728 | 63% | 0.631 | S | S | * | * | trans | -131.3 | 124.6 | 157.3 | -59.3 | -167.8 | 94.9 | -127.7 | 3.5 | 106.3 | G24 N28 | G24-R26 PolarHBondContact O-N 3.43Å; R26-N28 VanDerWaalsContact CB-OD1 3.31Å; R26-N28 WeakPolarHBondContact CB-OD1 3.4Å; R26-N28 PolarHBondContact O-N 3Å; R26-N28 PolarHBondContact O-OD1 2.7Å; R26-N28 VanDerWaalsContact O-OD1 3.11Å | ||
| 27 | P | 53.1 | Low | 55.3 | Low | 101 Ų | 101 | 120.3 Ų | 120.3 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | trans | -69.4 | 91.7 | 169.3 | 28.5 | -30.3 | 0 | 0 | 0 | 107.1 | D29 | P27-D29 WeakPolarHBondContact CB-OD1 3.45Å; P27-D29 PolarHBondContact O-N 2.81Å | ||
| 28 | N | 54.3 | Low | 54.9 | Low | 89 Ų | 89 | 120.2 Ų | 120.2 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | trans | -80.1 | 76 | 171.7 | -28.4 | -56.3 | 0 | 0 | 0 | 106.7 | R26 S30 Y31 | R26-N28 VanDerWaalsContact CB-OD1 3.31Å; R26-N28 WeakPolarHBondContact CB-OD1 3.4Å; R26-N28 PolarHBondContact O-N 3Å; R26-N28 PolarHBondContact O-OD1 2.7Å; R26-N28 VanDerWaalsContact O-OD1 3.11Å; N28-S30 PolarHBondContact O-N 2.99Å; N28-Y31 PolarHBondContact O-N 3.44Å | ||
| 29 | D | 55.3 | Low | 54.3 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.8 | -15.3 | -179.4 | -49.9 | -32.4 | 0 | 0 | 0 | 112.4 | P27 | P27-D29 WeakPolarHBondContact CB-OD1 3.45Å; P27-D29 PolarHBondContact O-N 2.81Å |
| 30 | S | 58.1 | Low | 54.2 | Low | 79 Ų | 79 | 112.1 Ų | 112.1 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.6 | -22.8 | 176 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | N28 N34 | N28-S30 PolarHBondContact O-N 2.99Å; S30-N34 WeakPolarHBondContact O-CB 3.18Å; S30-N34 PolarHBondContact O-N 2.95Å; S30-N34 PolarHBondContact O-ND2 3.37Å |
| 31 | Y | 56.7 | Low | 54 | Low | 183 Ų | 183 | 109.8 Ų | 109.8 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.9 | -34 | -177.9 | -146.4 | -94.4 | 0 | 0 | 0 | 111.5 | N28 S35 | N28-Y31 PolarHBondContact O-N 3.44Å; Y31-S35 WeakPolarHBondContact O-CB 3.26Å; Y31-S35 PolarHBondContact O-N 2.9Å; Y31-S35 VanDerWaalsContact O-N 3.1Å |
| 32 | C | 55.3 | Low | 53.7 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.1 | -32.3 | 176.7 | -149.2 | 0 | 0 | 0 | 0 | 112.3 | A36 | C32-A36 PolarHBondContact O-N 2.79Å |
| 33 | Y | 52.8 | Low | 53.6 | Low | 165 Ų | 165 | 115 Ų | 115 | 65% | 0.647 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.9 | -31 | 175 | -165.8 | -96.5 | 0 | 0 | 0 | 113.1 | ||
| 34 | N | 55.8 | Low | 53.4 | Low | 94 Ų | 94 | 111.8 Ų | 111.8 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -80.7 | -29.2 | 174.6 | -80.7 | -72.4 | 0 | 0 | 0 | 113.2 | S30 A36 K37 N38 | S30-N34 WeakPolarHBondContact O-CB 3.18Å; S30-N34 PolarHBondContact O-N 2.95Å; S30-N34 PolarHBondContact O-ND2 3.37Å; N34-A36 PolarHBondContact O-N 3.4Å; N34-K37 PolarHBondContact O-N 2.77Å; N34-N38 PolarHBondContact O-OD1 3.06Å |
| 35 | S | 54 | Low | 53.4 | Low | 71 Ų | 71 | 113 Ų | 113 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76.6 | -10.5 | 175.2 | -150.6 | 0 | 0 | 0 | 0 | 113.7 | Y31 N38 | Y31-S35 WeakPolarHBondContact O-CB 3.26Å; Y31-S35 PolarHBondContact O-N 2.9Å; Y31-S35 VanDerWaalsContact O-N 3.1Å; S35-N38 WeakPolarHBondContact CA-OD1 3.24Å; S35-N38 PolarHBondContact O-ND2 3.45Å; S35-N38 PolarHBondContact O-OD1 3.4Å |
| 36 | A | 52.6 | Low | 53.5 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.3 | -12.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | C32 N34 N38 S39 | C32-A36 PolarHBondContact O-N 2.79Å; N34-A36 PolarHBondContact O-N 3.4Å; A36-N38 VanDerWaalsContact C-N 3.27Å; A36-N38 PolarHBondContact O-N 3.37Å; A36-S39 WeakPolarHBondContact O-CB 3.08Å; A36-S39 PolarHBondContact O-N 3.45Å |
| 37 | K | 50.3 | Low | 53.6 | Low | 129 Ų | 129 | 110.2 Ų | 110.2 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14.4 | 173.8 | -103.1 | -179.2 | 178.2 | 170.4 | 0 | 113.4 | N34 Q43 | N34-K37 PolarHBondContact O-N 2.77Å; K37-Q43 PolarHBondContact O-OE1 3.43Å |
| 38 | N | 53.3 | Low | 54.2 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | 7.2 | 170.9 | 57 | -70.8 | 0 | 0 | 0 | 113 | N34 S35 A36 T40 | N34-N38 PolarHBondContact O-OD1 3.06Å; S35-N38 WeakPolarHBondContact CA-OD1 3.24Å; S35-N38 PolarHBondContact O-ND2 3.45Å; S35-N38 PolarHBondContact O-OD1 3.4Å; A36-N38 VanDerWaalsContact C-N 3.27Å; A36-N38 PolarHBondContact O-N 3.37Å; N38-T40 PolarHBondContact O-N 3.02Å; N38-T40 PolarHBondContact O-OG1 3.5Å |
| 39 | S | 46.1 | Very low | 54.7 | Low | 63 Ų | 63 | 105.6 Ų | 105.6 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | trans | -78 | 70.4 | 169.3 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | A36 V41 | A36-S39 WeakPolarHBondContact O-CB 3.08Å; A36-S39 PolarHBondContact O-N 3.45Å; S39-V41 PolarHBondContact O-N 3.39Å | ||
| 40 | T | 54.2 | Low | 55.8 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 26.5 | 168.3 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | N38 | N38-T40 PolarHBondContact O-N 3.02Å; N38-T40 PolarHBondContact O-OG1 3.5Å |
| 41 | V | 52.3 | Low | 56.8 | Low | 121 Ų | 121 | 105.8 Ų | 105.8 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -23.1 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | S39 | S39-V41 PolarHBondContact O-N 3.39Š|
| 42 | L | 50.6 | Low | 58 | Low | 180 Ų | 180 | 101.2 Ų | 101.2 | 94% | 0.942 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -12 | 162.8 | -86.8 | 150.3 | 0 | 0 | 0 | 112.7 | G44 | L42-G44 PolarHBondContact O-N 3.37Š|
| 43 | Q | 52.5 | Low | 59.5 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -88.6 | 81.8 | 169.7 | -172 | 175.8 | -3.4 | 0 | 0 | 108.9 | K37 V45 | K37-Q43 PolarHBondContact O-OE1 3.43Å; Q43-V45 PolarHBondContact O-N 2.8Å |
| 44 | G | 53.5 | Low | 61.1 | Low | 64 Ų | 64 | 98 Ų | 98 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | trans | 51.2 | 65.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L42 T46 | L42-G44 PolarHBondContact O-N 3.37Å; G44-T46 PolarHBondContact O-N 2.88Å | ||
| 45 | V | 52 | Low | 62.6 | Low | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | trans | -44.9 | 119.2 | 155.2 | -69.5 | 0 | 0 | 0 | 0 | 106.3 | Q43 F47 | Q43-V45 PolarHBondContact O-N 2.8Å; V45-F47 HydrophobicContact CG2-CD2 3.72Å; V45-F47 HydrophobicContact CG2-CE2 3.56Å; V45-F47 HydrophobicContact CG2-CZ 4.36Å; V45-F47 PolarHBondContact O-N 3.3Å | ||
| 46 | T | 58 | Low | 64.3 | Low | 122 Ų | 122 | 101 Ų | 101 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | trans | -58.8 | 81.4 | 168.9 | 41.4 | 0 | 0 | 0 | 0 | 106.5 | G44 G48 | G44-T46 PolarHBondContact O-N 2.88Å; T46-G48 VanDerWaalsContact O-CA 3.25Å; T46-G48 WeakPolarHBondContact O-CA 3.46Å; T46-G48 PolarHBondContact O-N 3.08Å | ||
| 47 | F | 54.8 | Low | 66.2 | Low | 174 Ų | 174 | 103.2 Ų | 103.2 | 76% | 0.763 | 60% | 0.597 | S | S | * | * | trans | -50.9 | 109.8 | 163.2 | -89.3 | -82.3 | 0 | 0 | 0 | 105.1 | V45 G49 P51 | V45-F47 HydrophobicContact CG2-CD2 3.72Å; V45-F47 HydrophobicContact CG2-CE2 3.56Å; V45-F47 HydrophobicContact CG2-CZ 4.36Å; V45-F47 PolarHBondContact O-N 3.3Å; F47-G49 PolarHBondContact O-N 2.95Å; F47-P51 WeakPolarHBondContact O-CD 2.96Å | ||
| 48 | G | 65 | Low | 68.3 | Low | 58 Ų | 58 | 100.8 Ų | 100.8 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -55.5 | 126.7 | -144.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T46 I50 | T46-G48 VanDerWaalsContact O-CA 3.25Å; T46-G48 WeakPolarHBondContact O-CA 3.46Å; T46-G48 PolarHBondContact O-N 3.08Å; G48-I50 PolarHBondContact O-N 3.34Å |
| 49 | G | 66.1 | Low | 70.2 | Confident | 35 Ų | 35 | 99 Ų | 99 | 36% | 0.361 | 59% | 0.588 | S | S | . | * | S | Bend | trans | 70.3 | -39 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | F47 T52 V53 | F47-G49 PolarHBondContact O-N 2.95Å; G49-T52 PolarHBondContact O-N 3.39Å; G49-T52 VanDerWaalsContact O-N 3.08Å; G49-V53 WeakPolarHBondContact O-CB 3.45Å; G49-V53 VanDerWaalsContact O-CG2 3.32Å; G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.5Å |
| 50 | I | 78.5 | Confident | 72.5 | Confident | 133 Ų | 133 | 99.3 Ų | 99.3 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.6 | -52.2 | -175.2 | -59.9 | 157.7 | 0 | 0 | 0 | 112.1 | G48 T52 L54 | G48-I50 PolarHBondContact O-N 3.34Å; I50-T52 VanDerWaalsContact C-N 3.31Å; I50-T52 PolarHBondContact O-N 2.89Å; I50-L54 WeakPolarHBondContact O-CB 3.46Å; I50-L54 PolarHBondContact O-N 3.24Å |
| 51 | P | 78.6 | Confident | 74.5 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -31.1 | 178.5 | 24.7 | -33.2 | 0 | 0 | 0 | 112.8 | F47 L55 | F47-P51 WeakPolarHBondContact O-CD 2.96Å; P51-L55 WeakPolarHBondContact O-CB 3.46Å; P51-L55 PolarHBondContact O-N 2.82Å |
| 52 | T | 82.3 | Confident | 76.5 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74 | -44.2 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 112 | G49 I50 L55 I56 | G49-T52 PolarHBondContact O-N 3.39Å; G49-T52 VanDerWaalsContact O-N 3.08Å; I50-T52 VanDerWaalsContact C-N 3.31Å; I50-T52 PolarHBondContact O-N 2.89Å; T52-L55 PolarHBondContact O-N 2.85Å; T52-I56 PolarHBondContact O-N 3.47Å |
| 53 | V | 86.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 58% | 0.582 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.7 | -40.6 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | G49 I56 D57 | G49-V53 WeakPolarHBondContact O-CB 3.45Å; G49-V53 VanDerWaalsContact O-CG2 3.32Å; G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.5Å; V53-I56 WeakPolarHBondContact O-CG2 3.5Å; V53-I56 PolarHBondContact O-N 3.47Å; V53-D57 VanDerWaalsContact O-CB 3.28Å; V53-D57 WeakPolarHBondContact O-CB 3.27Å; V53-D57 PolarHBondContact O-N 2.83Å |
| 54 | L | 86.8 | Confident | 80.6 | Confident | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -43.2 | 174.5 | -166 | 160.4 | 0 | 0 | 0 | 111.1 | I50 I56 D57 V58 | I50-L54 WeakPolarHBondContact O-CB 3.46Å; I50-L54 PolarHBondContact O-N 3.24Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 2.9Å; L54-D57 PolarHBondContact O-N 3.4Å; L54-V58 HydrophobicContact CD2-CG2 3.84Å; L54-V58 WeakPolarHBondContact O-CB 3.46Å; L54-V58 WeakPolarHBondContact O-CG2 3.23Å; L54-V58 PolarHBondContact O-N 3.48Å |
| 55 | L | 86.6 | Confident | 82.5 | Confident | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.3 | -42.3 | 176.9 | -167.5 | 160.3 | 0 | 0 | 0 | 111.4 | P51 T52 S59 | P51-L55 WeakPolarHBondContact O-CB 3.46Å; P51-L55 PolarHBondContact O-N 2.82Å; T52-L55 PolarHBondContact O-N 2.85Å; L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.24Å; L55-S59 PolarHBondContact O-N 3.24Å; L55-S59 PolarHBondContact O-OG 3.46Å |
| 56 | I | 90.2 | Very high | 84.4 | Confident | 113 Ų | 113 | 98.7 Ų | 98.7 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.8 | -36.9 | 178.9 | -136.9 | 152.6 | 0 | 0 | 0 | 112.2 | T52 V53 L54 S59 C60 | T52-I56 PolarHBondContact O-N 3.47Å; V53-I56 WeakPolarHBondContact O-CG2 3.5Å; V53-I56 PolarHBondContact O-N 3.47Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 2.9Å; I56-S59 PolarHBondContact O-N 2.78Å; I56-C60 WeakPolarHBondContact O-CB 3.02Å; I56-C60 PolarHBondContact O-N 3.32Å |
| 57 | D | 92.6 | Very high | 86.1 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -50.6 | 175 | -176.7 | 73.1 | 0 | 0 | 0 | 111.3 | V53 L54 S59 C60 F61 | V53-D57 VanDerWaalsContact O-CB 3.28Å; V53-D57 WeakPolarHBondContact O-CB 3.27Å; V53-D57 PolarHBondContact O-N 2.83Å; L54-D57 PolarHBondContact O-N 3.4Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 3.07Å; D57-C60 PolarHBondContact O-N 3.46Å; D57-F61 VanDerWaalsContact O-CB 3.3Å; D57-F61 WeakPolarHBondContact O-CB 3.16Å; D57-F61 PolarHBondContact O-N 2.91Å |
| 58 | V | 93.8 | Very high | 87.8 | Confident | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | L54 F61 L62 | L54-V58 HydrophobicContact CD2-CG2 3.84Å; L54-V58 WeakPolarHBondContact O-CB 3.46Å; L54-V58 WeakPolarHBondContact O-CG2 3.23Å; L54-V58 PolarHBondContact O-N 3.48Å; V58-F61 PolarHBondContact O-N 3.37Å; V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 PolarHBondContact O-N 3.46Å |
| 59 | S | 93.8 | Very high | 89 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 178.4 | -59 | 0 | 0 | 0 | 0 | 111.8 | L55 I56 D57 F63 | L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.24Å; L55-S59 PolarHBondContact O-N 3.24Å; L55-S59 PolarHBondContact O-OG 3.46Å; I56-S59 PolarHBondContact O-N 2.78Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 3.07Å; S59-F63 WeakPolarHBondContact O-CB 3.36Å; S59-F63 PolarHBondContact O-N 3.1Å |
| 60 | C | 94.4 | Very high | 90 | Very high | 70 Ų | 70 | 95.8 Ų | 95.8 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 111 | I56 D57 L62 F63 L64 | I56-C60 WeakPolarHBondContact O-CB 3.02Å; I56-C60 PolarHBondContact O-N 3.32Å; D57-C60 PolarHBondContact O-N 3.46Å; C60-L62 PolarHBondContact O-N 2.89Å; C60-F63 WeakPolarHBondContact O-CB 3.18Å; C60-F63 PolarHBondContact O-N 3.32Å; C60-L64 WeakPolarHBondContact O-CG 3.3Å; C60-L64 PolarHBondContact O-N 2.92Å |
| 61 | F | 95.1 | Very high | 90.4 | Very high | 128 Ų | 128 | 93.2 Ų | 93.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 178.7 | -172.5 | -108.1 | 0 | 0 | 0 | 112.2 | D57 V58 F63 L64 I65 | D57-F61 VanDerWaalsContact O-CB 3.3Å; D57-F61 WeakPolarHBondContact O-CB 3.16Å; D57-F61 PolarHBondContact O-N 2.91Å; V58-F61 PolarHBondContact O-N 3.37Å; F61-F63 VanDerWaalsContact C-N 3.33Å; F61-F63 PolarHBondContact O-N 3.5Å; F61-L64 PolarHBondContact O-N 3.13Å; F61-I65 HydrophobicContact CD1-CD1 3.65Å; F61-I65 HydrophobicContact CD1-CG1 4.47Å; F61-I65 HydrophobicContact CE1-CD1 3.22Å; F61-I65 HydrophobicContact CE1-CG1 4.24Å; F61-I65 HydrophobicContact CE2-CD1 4.43Å; F61-I65 HydrophobicContact CG-CD1 4.43Å; F61-I65 HydrophobicContact CZ-CD1 3.67Å; F61-I65 HydrophobicContact CZ-CG1 4.35Å; F61-I65 WeakPolarHBondContact O-CG1 3.38Å; F61-I65 PolarHBondContact O-N 2.77Å |
| 62 | L | 94.8 | Very high | 90.6 | Very high | 108 Ų | 108 | 97.9 Ų | 97.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 174.9 | -177.9 | 65 | 0 | 0 | 0 | 111.2 | V58 C60 I65 L66 | V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 PolarHBondContact O-N 3.46Å; C60-L62 PolarHBondContact O-N 2.89Å; L62-I65 PolarHBondContact O-N 2.71Å; L62-L66 WeakPolarHBondContact O-CB 3.46Å; L62-L66 PolarHBondContact O-N 2.81Å |
| 63 | F | 96 | Very high | 90.6 | Very high | 135 Ų | 135 | 102.7 Ų | 102.7 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 176.9 | -179.6 | -99.2 | 0 | 0 | 0 | 111.9 | S59 C60 F61 I65 L66 V67 | S59-F63 WeakPolarHBondContact O-CB 3.36Å; S59-F63 PolarHBondContact O-N 3.1Å; C60-F63 WeakPolarHBondContact O-CB 3.18Å; C60-F63 PolarHBondContact O-N 3.32Å; F61-F63 VanDerWaalsContact C-N 3.33Å; F61-F63 PolarHBondContact O-N 3.5Å; F63-I65 PolarHBondContact O-N 3.49Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 3.44Å; F63-L66 VanDerWaalsContact O-N 3.13Å; F63-V67 HydrophobicContact CD1-CG2 4.2Å; F63-V67 HydrophobicContact CE1-CG2 3.77Å; F63-V67 HydrophobicContact CE2-CG2 4.25Å; F63-V67 HydrophobicContact CZ-CG2 3.8Å; F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.2Å |
| 64 | L | 93.7 | Very high | 90 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.5 | -68.6 | 176.7 | 0 | 0 | 0 | 111.9 | C60 F61 L66 V67 F68 | C60-L64 WeakPolarHBondContact O-CG 3.3Å; C60-L64 PolarHBondContact O-N 2.92Å; F61-L64 PolarHBondContact O-N 3.13Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 2.87Å; L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.25Å; L64-F68 PolarHBondContact O-N 3.24Å |
| 65 | I | 92.5 | Very high | 89.1 | Confident | 75 Ų | 75 | 106.2 Ų | 106.2 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 173.8 | -73 | 175.6 | 0 | 0 | 0 | 111 | F61 L62 F63 F68 S69 | F61-I65 HydrophobicContact CD1-CD1 3.65Å; F61-I65 HydrophobicContact CD1-CG1 4.47Å; F61-I65 HydrophobicContact CE1-CD1 3.22Å; F61-I65 HydrophobicContact CE1-CG1 4.24Å; F61-I65 HydrophobicContact CE2-CD1 4.43Å; F61-I65 HydrophobicContact CG-CD1 4.43Å; F61-I65 HydrophobicContact CZ-CD1 3.67Å; F61-I65 HydrophobicContact CZ-CG1 4.35Å; F61-I65 WeakPolarHBondContact O-CG1 3.38Å; F61-I65 PolarHBondContact O-N 2.77Å; L62-I65 PolarHBondContact O-N 2.71Å; F63-I65 PolarHBondContact O-N 3.49Å; I65-F68 PolarHBondContact O-N 3.37Å; I65-S69 WeakPolarHBondContact O-CB 3.19Å; I65-S69 PolarHBondContact O-N 2.74Å; I65-S69 PolarHBondContact O-OG 2.87Å |
| 66 | L | 92.9 | Very high | 88.2 | Confident | 95 Ų | 95 | 109.7 Ų | 109.7 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 179.8 | -128 | 159 | 0 | 0 | 0 | 110.9 | L62 F63 L64 F68 S69 I70 | L62-L66 WeakPolarHBondContact O-CB 3.46Å; L62-L66 PolarHBondContact O-N 2.81Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 3.44Å; F63-L66 VanDerWaalsContact O-N 3.13Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 PolarHBondContact O-N 2.92Å; L66-F68 PolarHBondContact O-N 3.46Å; L66-S69 PolarHBondContact O-N 3.03Å; L66-I70 HydrophobicContact CD2-CD1 3.9Å; L66-I70 HydrophobicContact CD2-CG1 4.36Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 2.89Å |
| 67 | V | 93.7 | Very high | 87.2 | Confident | 55 Ų | 55 | 107.8 Ų | 107.8 | 33% | 0.333 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F63 L64 S69 I70 I71 | F63-V67 HydrophobicContact CD1-CG2 4.2Å; F63-V67 HydrophobicContact CE1-CG2 3.77Å; F63-V67 HydrophobicContact CE2-CG2 4.25Å; F63-V67 HydrophobicContact CZ-CG2 3.8Å; F63-V67 WeakPolarHBondContact O-CG2 3.4Å; F63-V67 PolarHBondContact O-N 3.2Å; L64-V67 PolarHBondContact O-N 2.87Å; V67-S69 VanDerWaalsContact C-N 3.31Å; V67-S69 PolarHBondContact O-N 3.46Å; V67-I70 PolarHBondContact O-N 3.27Å; V67-I71 HydrophobicContact CG1-CD1 3.67Å; V67-I71 HydrophobicContact CG1-CG1 4.43Å; V67-I71 WeakPolarHBondContact O-CB 3.16Å; V67-I71 VanDerWaalsContact O-CG1 3.23Å; V67-I71 WeakPolarHBondContact O-CG1 3.46Å; V67-I71 PolarHBondContact O-N 2.92Å |
| 68 | F | 89.9 | Confident | 85.8 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.5 | -178.9 | -102.5 | 0 | 0 | 0 | 112.5 | L64 I65 L66 I71 R72 | L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.25Å; L64-F68 PolarHBondContact O-N 3.24Å; I65-F68 PolarHBondContact O-N 3.37Å; L66-F68 PolarHBondContact O-N 3.46Å; F68-I71 PolarHBondContact O-N 3.45Å; F68-R72 VanDerWaalsContact O-CB 3.3Å; F68-R72 WeakPolarHBondContact O-CB 3.43Å; F68-R72 PolarHBondContact O-N 2.93Å |
| 69 | S | 91.1 | Very high | 84.5 | Confident | 60 Ų | 60 | 107.8 Ų | 107.8 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 176.8 | -64 | 0 | 0 | 0 | 0 | 111.6 | I65 L66 V67 R72 R73 | I65-S69 WeakPolarHBondContact O-CB 3.19Å; I65-S69 PolarHBondContact O-N 2.74Å; I65-S69 PolarHBondContact O-OG 2.87Å; L66-S69 PolarHBondContact O-N 3.03Å; V67-S69 VanDerWaalsContact C-N 3.31Å; V67-S69 PolarHBondContact O-N 3.46Å; S69-R72 PolarHBondContact O-N 3.36Å; S69-R73 WeakPolarHBondContact O-CB 3.41Å; S69-R73 PolarHBondContact O-N 3.33Å |
| 70 | I | 87.1 | Confident | 83.2 | Confident | 92 Ų | 92 | 112.4 Ų | 112.4 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 173.9 | -68.3 | 163.5 | 0 | 0 | 0 | 109.5 | L66 V67 R72 R73 R74 | L66-I70 HydrophobicContact CD2-CD1 3.9Å; L66-I70 HydrophobicContact CD2-CG1 4.36Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-I70 PolarHBondContact O-N 2.89Å; V67-I70 PolarHBondContact O-N 3.27Å; I70-R72 PolarHBondContact O-N 2.87Å; I70-R73 PolarHBondContact O-N 2.93Å; I70-R74 HydrophobicContact CG2-CG 4.11Å; I70-R74 VanDerWaalsContact O-CB 3.24Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 WeakPolarHBondContact O-CG 3.32Å; I70-R74 PolarHBondContact O-N 3.39Å |
| 71 | I | 86.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 113.7 Ų | 113.7 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 178.7 | -70.4 | 166.5 | 0 | 0 | 0 | 110.4 | V67 F68 R73 R74 F75 | V67-I71 HydrophobicContact CG1-CD1 3.67Å; V67-I71 HydrophobicContact CG1-CG1 4.43Å; V67-I71 WeakPolarHBondContact O-CB 3.16Å; V67-I71 VanDerWaalsContact O-CG1 3.23Å; V67-I71 WeakPolarHBondContact O-CG1 3.46Å; V67-I71 PolarHBondContact O-N 2.92Å; F68-I71 PolarHBondContact O-N 3.45Å; I71-R73 PolarHBondContact O-N 2.81Å; I71-R74 PolarHBondContact O-N 3.39Å; I71-F75 HydrophobicContact CG2-CD2 3.57Å; I71-F75 HydrophobicContact CG2-CE2 3.1Å; I71-F75 HydrophobicContact CG2-CZ 4.07Å; I71-F75 WeakPolarHBondContact O-CD2 3.49Å; I71-F75 WeakPolarHBondContact O-CG 3.32Å; I71-F75 PolarHBondContact O-N 3.02Å |
| 72 | R | 83.9 | Confident | 80 | Confident | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 178.5 | -170.4 | 173.9 | -177.1 | 167.6 | 1.7 | 112.8 | F68 S69 I70 W76 | F68-R72 VanDerWaalsContact O-CB 3.3Å; F68-R72 WeakPolarHBondContact O-CB 3.43Å; F68-R72 PolarHBondContact O-N 2.93Å; S69-R72 PolarHBondContact O-N 3.36Å; I70-R72 PolarHBondContact O-N 2.87Å; R72-W76 PolarHBondContact O-N 3.46Å |
| 73 | R | 80.7 | Confident | 78.2 | Confident | 189 Ų | 189 | 112 Ų | 112 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -43.8 | 174.1 | -168.4 | 87.6 | 87.8 | 167.3 | 7.8 | 110.5 | S69 I70 I71 F75 W76 D77 | S69-R73 WeakPolarHBondContact O-CB 3.41Å; S69-R73 PolarHBondContact O-N 3.33Å; I70-R73 PolarHBondContact O-N 2.93Å; I71-R73 PolarHBondContact O-N 2.81Å; R73-F75 PolarHBondContact O-N 3.44Å; R73-W76 VanDerWaalsContact O-CB 3.32Å; R73-W76 WeakPolarHBondContact O-CB 3.28Å; R73-W76 PolarHBondContact O-N 3.27Å; R73-W76 VanDerWaalsContact O-N 3.1Å; R73-D77 PolarHBondContact O-N 3.15Å; R73-D77 VanDerWaalsContact O-N 3.07Å |
| 74 | R | 73.5 | Confident | 76.1 | Confident | 135 Ų | 135 | 109.5 Ų | 109.5 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 177.9 | -73.9 | -68 | -174.5 | 151.9 | -0.5 | 112.4 | I70 I71 W76 D77 Y78 | I70-R74 HydrophobicContact CG2-CG 4.11Å; I70-R74 VanDerWaalsContact O-CB 3.24Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 WeakPolarHBondContact O-CG 3.32Å; I70-R74 PolarHBondContact O-N 3.39Å; I71-R74 PolarHBondContact O-N 3.39Å; R74-W76 PolarHBondContact O-N 2.96Å; R74-D77 CarbonylContact O-C 3.56Å; R74-D77 WeakPolarHBondContact O-CA 3.33Å; R74-D77 WeakPolarHBondContact O-CB 3.3Å; R74-D77 PolarHBondContact O-N 2.98Å; R74-D77 VanDerWaalsContact O-N 3.08Å; R74-Y78 HydrophobicContact CB-CD2 4.27Å; R74-Y78 HydrophobicContact CB-CE2 3.96Å; R74-Y78 WeakPolarHBondContact O-CD2 3.18Å; R74-Y78 PolarHBondContact O-N 3.4Å |
| 75 | F | 69.5 | Low | 74.2 | Confident | 141 Ų | 141 | 108.2 Ų | 108.2 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -34.3 | 172.6 | -79.4 | -61.8 | 0 | 0 | 0 | 112.4 | I71 R73 G79 | I71-F75 HydrophobicContact CG2-CD2 3.57Å; I71-F75 HydrophobicContact CG2-CE2 3.1Å; I71-F75 HydrophobicContact CG2-CZ 4.07Å; I71-F75 WeakPolarHBondContact O-CD2 3.49Å; I71-F75 WeakPolarHBondContact O-CG 3.32Å; I71-F75 PolarHBondContact O-N 3.02Å; R73-F75 PolarHBondContact O-N 3.44Å; F75-G79 PolarHBondContact O-N 3.32Å |
| 76 | W | 66.4 | Low | 72.5 | Confident | 187 Ų | 187 | 111.1 Ų | 111.1 | 71% | 0.708 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.1 | -38.8 | 172.4 | -166.9 | -87.7 | 0 | 0 | 0 | 112 | R72 R73 R74 G79 R80 | R72-W76 PolarHBondContact O-N 3.46Å; R73-W76 VanDerWaalsContact O-CB 3.32Å; R73-W76 WeakPolarHBondContact O-CB 3.28Å; R73-W76 PolarHBondContact O-N 3.27Å; R73-W76 VanDerWaalsContact O-N 3.1Å; R74-W76 PolarHBondContact O-N 2.96Å; W76-G79 PolarHBondContact O-N 3.39Å; W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 WeakPolarHBondContact O-CG 3.48Å; W76-R80 PolarHBondContact O-N 2.94Å |
| 77 | D | 69.3 | Low | 70.8 | Confident | 72 Ų | 72 | 109.2 Ų | 109.2 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 173.9 | -65.6 | -42.1 | 0 | 0 | 0 | 110.9 | R73 R74 G79 R80 I81 | R73-D77 PolarHBondContact O-N 3.15Å; R73-D77 VanDerWaalsContact O-N 3.07Å; R74-D77 CarbonylContact O-C 3.56Å; R74-D77 WeakPolarHBondContact O-CA 3.33Å; R74-D77 WeakPolarHBondContact O-CB 3.3Å; R74-D77 PolarHBondContact O-N 2.98Å; R74-D77 VanDerWaalsContact O-N 3.08Å; D77-G79 PolarHBondContact O-N 3.08Å; D77-R80 PolarHBondContact O-N 3.23Å; D77-I81 WeakPolarHBondContact O-CB 3.25Å; D77-I81 VanDerWaalsContact O-CD1 3.24Å; D77-I81 WeakPolarHBondContact O-CD1 3.2Å; D77-I81 WeakPolarHBondContact O-CG1 3.43Å; D77-I81 PolarHBondContact O-N 3.03Å |
| 78 | Y | 63.2 | Low | 69.1 | Low | 143 Ų | 143 | 109.6 Ų | 109.6 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 175.2 | -67.3 | -62.9 | 0 | 0 | 0 | 113 | R74 I81 A82 | R74-Y78 HydrophobicContact CB-CD2 4.27Å; R74-Y78 HydrophobicContact CB-CE2 3.96Å; R74-Y78 WeakPolarHBondContact O-CD2 3.18Å; R74-Y78 PolarHBondContact O-N 3.4Å; Y78-I81 HydrophobicContact CD1-CD1 4.28Å; Y78-I81 PolarHBondContact O-N 2.71Å; Y78-A82 PolarHBondContact O-N 3.46Å |
| 79 | G | 67.3 | Low | 67.5 | Low | 42 Ų | 42 | 106.8 Ų | 106.8 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F75 W76 D77 | F75-G79 PolarHBondContact O-N 3.32Å; W76-G79 PolarHBondContact O-N 3.39Å; D77-G79 PolarHBondContact O-N 3.08Å |
| 80 | R | 66.4 | Low | 65.9 | Low | 159 Ų | 159 | 109.2 Ų | 109.2 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.3 | -36.1 | 174 | -75.2 | -85.6 | -73.2 | -138.5 | -3.8 | 112.4 | W76 D77 A82 L83 V84 | W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 WeakPolarHBondContact O-CG 3.48Å; W76-R80 PolarHBondContact O-N 2.94Å; D77-R80 PolarHBondContact O-N 3.23Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.48Å; R80-L83 PolarHBondContact O-N 3.22Å; R80-V84 PolarHBondContact O-N 3.49Å |
| 81 | I | 60.9 | Low | 64.5 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 175.2 | -66.7 | 157.8 | 0 | 0 | 0 | 110.6 | D77 Y78 L83 S85 | D77-I81 WeakPolarHBondContact O-CB 3.25Å; D77-I81 VanDerWaalsContact O-CD1 3.24Å; D77-I81 WeakPolarHBondContact O-CD1 3.2Å; D77-I81 WeakPolarHBondContact O-CG1 3.43Å; D77-I81 PolarHBondContact O-N 3.03Å; Y78-I81 HydrophobicContact CD1-CD1 4.28Å; Y78-I81 PolarHBondContact O-N 2.71Å; I81-L83 PolarHBondContact O-N 2.73Å; I81-S85 WeakPolarHBondContact O-CA 3.16Å; I81-S85 WeakPolarHBondContact O-CB 3.34Å; I81-S85 PolarHBondContact O-N 3.38Å |
| 82 | A | 61.6 | Low | 63.1 | Low | 68 Ų | 68 | 110.7 Ų | 110.7 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y78 R80 | Y78-A82 PolarHBondContact O-N 3.46Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.48Å |
| 83 | L | 57.1 | Low | 61.9 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -81 | -35.8 | 179.4 | -72.9 | 167.3 | 0 | 0 | 0 | 113.2 | R80 I81 A87 | R80-L83 PolarHBondContact O-N 3.22Å; I81-L83 PolarHBondContact O-N 2.73Å; L83-A87 PolarHBondContact O-N 3.03Å |
| 84 | V | 52 | Low | 60.8 | Low | 83 Ų | 83 | 106.6 Ų | 106.6 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -80.3 | -25.5 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | R80 A87 D88 | R80-V84 PolarHBondContact O-N 3.49Å; V84-A87 PolarHBondContact O-N 3.17Å; V84-D88 WeakPolarHBondContact O-CB 3.5Å; V84-D88 PolarHBondContact O-N 3.44Å |
| 85 | S | 52.5 | Low | 59.9 | Low | 73 Ų | 73 | 108.2 Ų | 108.2 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | I81 S89 | I81-S85 WeakPolarHBondContact O-CA 3.16Å; I81-S85 WeakPolarHBondContact O-CB 3.34Å; I81-S85 PolarHBondContact O-N 3.38Å; S85-S89 WeakPolarHBondContact O-CB 3.43Å; S85-S89 PolarHBondContact O-N 3.1Å; S85-S89 PolarHBondContact O-OG 2.93Å |
| 86 | E | 57.2 | Low | 59.3 | Low | 136 Ų | 136 | 107 Ų | 107 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -48.5 | 176.4 | -165.6 | 169.3 | 90.8 | 0 | 0 | 110.7 | D88 S89 E90 | E86-D88 PolarHBondContact O-N 3.26Å; E86-S89 WeakPolarHBondContact CA-OG 3.45Å; E86-S89 PolarHBondContact O-N 3.43Å; E86-S89 PolarHBondContact O-OG 3.5Å; E86-E90 WeakPolarHBondContact O-CB 3.15Å; E86-E90 PolarHBondContact O-N 3.46Å |
| 87 | A | 56.9 | Low | 58.6 | Low | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L83 V84 S91 | L83-A87 PolarHBondContact O-N 3.03Å; V84-A87 PolarHBondContact O-N 3.17Å; A87-S91 VanDerWaalsContact O-CB 3.26Å; A87-S91 WeakPolarHBondContact O-CB 3.5Å; A87-S91 PolarHBondContact O-N 3.44Å; A87-S91 PolarHBondContact O-OG 3.17Å |
| 88 | D | 57.9 | Low | 57.7 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 34% | 0.342 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.6 | -39.9 | 177.1 | -166 | -94.8 | 0 | 0 | 0 | 110.6 | V84 E86 S91 R92 | V84-D88 WeakPolarHBondContact O-CB 3.5Å; V84-D88 PolarHBondContact O-N 3.44Å; E86-D88 PolarHBondContact O-N 3.26Å; D88-S91 PolarHBondContact O-N 3.48Å; D88-S91 PolarHBondContact O-OG 2.95Å; D88-R92 WeakPolarHBondContact O-CG 3.35Å; D88-R92 PolarHBondContact O-N 3.11Å; D88-R92 IonicContact OD1-CZ 3.18Å; D88-R92 IonicContact OD1-NE 2.81Å; D88-R92 PolarHBondContact OD1-NE 2.86Å; D88-R92 IonicContact OD1-NH2 2.7Å; D88-R92 PolarHBondContact OD1-NH2 3.33Å |
| 89 | S | 55.7 | Low | 57.1 | Low | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 172.1 | 49 | 0 | 0 | 0 | 0 | 112.6 | S85 E86 R92 F93 | S85-S89 WeakPolarHBondContact O-CB 3.43Å; S85-S89 PolarHBondContact O-N 3.1Å; S85-S89 PolarHBondContact O-OG 2.93Å; E86-S89 WeakPolarHBondContact CA-OG 3.45Å; E86-S89 PolarHBondContact O-N 3.43Å; E86-S89 PolarHBondContact O-OG 3.5Å; S89-R92 PolarHBondContact O-N 3.48Å; S89-F93 WeakPolarHBondContact O-CB 3.5Å; S89-F93 PolarHBondContact O-N 3.03Å |
| 90 | E | 57.4 | Low | 56.1 | Low | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 173.9 | -81.6 | -153.9 | 98.3 | 0 | 0 | 112 | E86 R92 F93 Q94 | E86-E90 WeakPolarHBondContact O-CB 3.15Å; E86-E90 PolarHBondContact O-N 3.46Å; E90-R92 VanDerWaalsContact C-N 3.33Å; E90-R92 PolarHBondContact O-N 2.93Å; E90-F93 PolarHBondContact O-N 2.88Å; E90-Q94 WeakPolarHBondContact O-CB 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.41Å |
| 91 | S | 57.8 | Low | 55.1 | Low | 42 Ų | 42 | 100.2 Ų | 100.2 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.5 | -33.1 | 178.5 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | A87 D88 R95 | A87-S91 VanDerWaalsContact O-CB 3.26Å; A87-S91 WeakPolarHBondContact O-CB 3.5Å; A87-S91 PolarHBondContact O-N 3.44Å; A87-S91 PolarHBondContact O-OG 3.17Å; D88-S91 PolarHBondContact O-N 3.48Å; D88-S91 PolarHBondContact O-OG 2.95Å; S91-R95 VanDerWaalsContact O-CB 3.29Å; S91-R95 WeakPolarHBondContact O-CB 3.36Å; S91-R95 PolarHBondContact O-N 2.84Å |
| 92 | R | 57.4 | Low | 54.4 | Low | 159 Ų | 159 | 101.3 Ų | 101.3 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72 | -40.9 | 171.5 | -71.2 | -169.3 | -138.1 | -156 | 8.2 | 111.2 | D88 S89 E90 R95 L96 | D88-R92 WeakPolarHBondContact O-CG 3.35Å; D88-R92 PolarHBondContact O-N 3.11Å; D88-R92 IonicContact OD1-CZ 3.18Å; D88-R92 IonicContact OD1-NE 2.81Å; D88-R92 PolarHBondContact OD1-NE 2.86Å; D88-R92 IonicContact OD1-NH2 2.7Å; D88-R92 PolarHBondContact OD1-NH2 3.33Å; S89-R92 PolarHBondContact O-N 3.48Å; E90-R92 VanDerWaalsContact C-N 3.33Å; E90-R92 PolarHBondContact O-N 2.93Å; R92-R95 PolarHBondContact O-N 3.24Å; R92-L96 WeakPolarHBondContact O-CB 3.4Å; R92-L96 VanDerWaalsContact O-CD1 3.32Å; R92-L96 WeakPolarHBondContact O-CD1 3.36Å; R92-L96 VanDerWaalsContact O-CG 3.23Å; R92-L96 WeakPolarHBondContact O-CG 3.45Å; R92-L96 PolarHBondContact O-N 3.33Å |
| 93 | F | 59.1 | Low | 53.8 | Low | 153 Ų | 153 | 101 Ų | 101 | 67% | 0.671 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -44.5 | 176.1 | -135.1 | -92.9 | 0 | 0 | 0 | 111.4 | S89 E90 R95 L96 S97 | S89-F93 WeakPolarHBondContact O-CB 3.5Å; S89-F93 PolarHBondContact O-N 3.03Å; E90-F93 PolarHBondContact O-N 2.88Å; F93-R95 PolarHBondContact O-N 2.69Å; F93-L96 PolarHBondContact O-N 2.95Å; F93-S97 PolarHBondContact O-N 2.93Å; F93-S97 PolarHBondContact O-OG 3.23Å; F93-S97 VanDerWaalsContact O-OG 3.05Å |
| 94 | Q | 57.8 | Low | 53.3 | Low | 125 Ų | 125 | 103.2 Ų | 103.2 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 175.3 | -78.9 | -179.8 | -2.2 | 0 | 0 | 113.1 | E90 S97 S98 | E90-Q94 WeakPolarHBondContact O-CB 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.41Å; Q94-S97 PolarHBondContact O-N 2.98Å; Q94-S98 WeakPolarHBondContact O-CB 3.42Å; Q94-S98 PolarHBondContact O-N 2.91Å; Q94-S98 PolarHBondContact O-OG 3.4Å |
| 95 | R | 55.1 | Low | 52.7 | Low | 170 Ų | 170 | 108.1 Ų | 108.1 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.3 | -33.3 | 175.9 | -171.5 | 175 | -79.7 | 117.6 | -6 | 112 | S91 R92 F93 T99 | S91-R95 VanDerWaalsContact O-CB 3.29Å; S91-R95 WeakPolarHBondContact O-CB 3.36Å; S91-R95 PolarHBondContact O-N 2.84Å; R92-R95 PolarHBondContact O-N 3.24Å; F93-R95 PolarHBondContact O-N 2.69Å; R95-T99 PolarHBondContact O-N 3.39Å; R95-T99 PolarHBondContact O-OG1 3.29Å |
| 96 | L | 55.6 | Low | 52.4 | Low | 116 Ų | 116 | 112.5 Ų | 112.5 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.1 | -42.7 | 170.8 | -69.6 | 158.8 | 0 | 0 | 0 | 110.9 | R92 F93 S98 T99 S100 | R92-L96 WeakPolarHBondContact O-CB 3.4Å; R92-L96 VanDerWaalsContact O-CD1 3.32Å; R92-L96 WeakPolarHBondContact O-CD1 3.36Å; R92-L96 VanDerWaalsContact O-CG 3.23Å; R92-L96 WeakPolarHBondContact O-CG 3.45Å; R92-L96 PolarHBondContact O-N 3.33Å; F93-L96 PolarHBondContact O-N 2.95Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.34Å; L96-T99 CarbonylContact O-C 3.2Å; L96-T99 WeakPolarHBondContact O-CA 3.25Å; L96-T99 PolarHBondContact O-N 3.06Å; L96-T99 VanDerWaalsContact O-N 3.08Å; L96-S100 PolarHBondContact O-N 3.46Å; L96-S100 PolarHBondContact O-OG 2.78Å |
| 97 | S | 51.8 | Low | 52 | Low | 59 Ų | 59 | 115.5 Ų | 115.5 | 41% | 0.413 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.7 | -34.5 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | F93 Q94 T99 S100 S101 | F93-S97 PolarHBondContact O-N 2.93Å; F93-S97 PolarHBondContact O-OG 3.23Å; F93-S97 VanDerWaalsContact O-OG 3.05Å; Q94-S97 PolarHBondContact O-N 2.98Å; S97-T99 VanDerWaalsContact C-N 3.25Å; S97-T99 PolarHBondContact O-N 3.05Å; S97-S100 WeakPolarHBondContact CA-OG 3.48Å; S97-S100 PolarHBondContact O-N 2.89Å; S97-S100 PolarHBondContact O-OG 3.09Å; S97-S101 WeakPolarHBondContact O-CB 3.14Å; S97-S101 PolarHBondContact O-N 2.84Å |
| 98 | S | 51 | Low | 51.4 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.1 | -21.3 | 174.5 | -56 | 0 | 0 | 0 | 0 | 112.5 | Q94 L96 | Q94-S98 WeakPolarHBondContact O-CB 3.42Å; Q94-S98 PolarHBondContact O-N 2.91Å; Q94-S98 PolarHBondContact O-OG 3.4Å; L96-S98 VanDerWaalsContact C-N 3.33Å; L96-S98 PolarHBondContact O-N 3.34Å |
| 99 | T | 50.5 | Low | 50.9 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 20.6 | 172.5 | -44.2 | 0 | 0 | 0 | 0 | 111.4 | R95 L96 S97 | R95-T99 PolarHBondContact O-N 3.39Å; R95-T99 PolarHBondContact O-OG1 3.29Å; L96-T99 CarbonylContact O-C 3.2Å; L96-T99 WeakPolarHBondContact O-CA 3.25Å; L96-T99 PolarHBondContact O-N 3.06Å; L96-T99 VanDerWaalsContact O-N 3.08Å; S97-T99 VanDerWaalsContact C-N 3.25Å; S97-T99 PolarHBondContact O-N 3.05Å |
| 100 | S | 46.8 | Very low | 50.6 | Low | 80 Ų | 80 | 130.6 Ų | 130.6 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | -5.4 | 168.6 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | L96 S97 S102 | L96-S100 PolarHBondContact O-N 3.46Å; L96-S100 PolarHBondContact O-OG 2.78Å; S97-S100 WeakPolarHBondContact CA-OG 3.48Å; S97-S100 PolarHBondContact O-N 2.89Å; S97-S100 PolarHBondContact O-OG 3.09Å; S100-S102 PolarHBondContact O-N 3.03Å |
| 101 | S | 44.6 | Very low | 50.7 | Low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -77.9 | 54.9 | 166.4 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | S97 | S97-S101 WeakPolarHBondContact O-CB 3.14Å; S97-S101 PolarHBondContact O-N 2.84Å | ||
| 102 | S | 47.1 | Very low | 50.4 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -134.6 | 60.9 | 155.9 | 69 | 0 | 0 | 0 | 0 | 108.4 | S100 | S100-S102 PolarHBondContact O-N 3.03Š|
| 103 | G | 48.6 | Very low | 50.1 | Low | 60 Ų | 60 | 132.8 Ų | 132.8 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 158.5 | 84.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 104 | Q | 45.5 | Very low | 49.9 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 65.9 | 107 | 142.7 | -162.2 | 165.7 | 6.4 | 0 | 0 | 116.9 | ||||
| 105 | Q | 40.4 | Very low | 50 | Low | 186 Ų | 186 | 130.6 Ų | 130.6 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | 174.8 | 72.9 | 133.8 | -92.3 | 158.3 | 99 | 0 | 0 | 111.5 | F107 | Q105-F107 PolarHBondContact O-N 3.34Š| ||
| 106 | D | 45.6 | Very low | 49.9 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -77.3 | 95.6 | 153.4 | -61.3 | -71.4 | 0 | 0 | 0 | 107.8 | ||||
| 107 | F | 48.5 | Very low | 49.8 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -162.1 | -7.4 | 157.6 | -146 | -106.6 | 0 | 0 | 0 | 118.5 | Q105 | Q105-F107 PolarHBondContact O-N 3.34Š|
| 108 | E | 44.4 | Very low | 49.3 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -139.5 | 46.4 | -168.7 | -144.9 | 179.4 | 102.9 | 0 | 0 | 115.5 | ||
| 109 | N | 48.2 | Very low | 49.2 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -110.2 | 1.7 | 175.1 | -172.6 | 62.7 | 0 | 0 | 0 | 114.8 | ||
| 110 | E | 50 | Low | 49.1 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -112.5 | 37.5 | -169.1 | -53.8 | -65.2 | 122 | 0 | 0 | 113.5 | ||
| 111 | L | 58.3 | Low | 49.3 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -144.3 | 15.8 | -174.9 | -96.2 | 162 | 0 | 0 | 0 | 117.8 | ||
| 112 | G | 51.7 | Low | 49.5 | Very low | 66 Ų | 66 | 153.6 Ų | 153.6 | 68% | 0.68 | 84% | 0.844 | S | S | * | * | trans | -160.8 | 127.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 113 | C | 52 | Low | 49.7 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 103.8 | 60.3 | 144.8 | -55.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 114 | C | 54.5 | Low | 49.8 | Very low | 122 Ų | 122 | 162.1 Ų | 162.1 | 82% | 0.824 | 86% | 0.859 | S | S | * | * | trans | -123.5 | 84.4 | 141.2 | -69.8 | 0 | 0 | 0 | 0 | 109.8 | W116 | C114-W116 VanDerWaalsContact C-N 3.29Å; C114-W116 PolarHBondContact O-N 3.39Å | ||
| 115 | P | 59 | Low | 50.1 | Low | 110 Ų | 110 | 160.9 Ų | 160.9 | 71% | 0.714 | 86% | 0.861 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 6.9 | -177.7 | -5.2 | 23.2 | 0 | 0 | 0 | 114.9 | ||
| 116 | W | 54.6 | Low | 50.8 | Low | 234 Ų | 234 | 158.9 Ų | 158.9 | 89% | 0.886 | 86% | 0.86 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 24.4 | -168.8 | -80.7 | 86.1 | 0 | 0 | 0 | 115.4 | C114 | C114-W116 VanDerWaalsContact C-N 3.29Å; C114-W116 PolarHBondContact O-N 3.39Å |
| 117 | L | 52.2 | Low | 51.3 | Low | 163 Ų | 163 | 158.3 Ų | 158.3 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | trans | -138 | 61.1 | 171.2 | -134.5 | 110.5 | 0 | 0 | 0 | 112.4 | ||||
| 118 | T | 41.6 | Very low | 51.5 | Low | 217 Ų | 217 | 154.7 Ų | 154.7 | 100% | 1.331 | 86% | 0.857 | S | S | * | * | trans | -153.2 | 0 | 147.6 | -51.1 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 118 of 118 residues in 26.5 ms
(Link to these results)