| 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 | 40.9 | Very low | 62.1 | Low | 247 Ų | 247 | 156.6 Ų | 156.6 | 100% | 1.217 | 71% | 0.71 | S | S | * | * | 0 | 106 | 0 | -76.4 | 177.7 | -103.6 | 0 | 0 | 109.4 | |||||
| 2 | R | 49.1 | Very low | 63.1 | Low | 246 Ų | 246 | 151.4 Ų | 151.4 | 93% | 0.928 | 69% | 0.691 | S | S | * | * | trans | -83.5 | 120.5 | -177.7 | -87 | 176.1 | 166.5 | 170.4 | -4.2 | 109.6 | L4 | R2-L4 PolarHBondContact O-N 2.91Š| ||
| 3 | R | 53.6 | Low | 63.9 | Low | 249 Ų | 249 | 147.5 Ų | 147.5 | 94% | 0.94 | 69% | 0.685 | S | S | * | * | trans | -60.6 | 98.6 | 166.7 | -81.3 | 179.4 | 172.1 | -179.7 | -2.6 | 108.7 | S5 | R3-S5 PolarHBondContact O-N 3.48Š| ||
| 4 | L | 57.2 | Low | 64.1 | Low | 130 Ų | 130 | 147.9 Ų | 147.9 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | trans | -60.7 | 120 | 166.8 | -91.2 | 149.8 | 0 | 0 | 0 | 107.9 | R2 R6 K8 | R2-L4 PolarHBondContact O-N 2.91Å; L4-R6 PolarHBondContact O-N 3.11Å; L4-K8 HydrophobicContact CD2-CB 4.46Å | ||
| 5 | S | 67.7 | Low | 64.7 | Low | 61 Ų | 61 | 148.5 Ų | 148.5 | 43% | 0.427 | 69% | 0.687 | S | S | . | * | trans | -64.7 | 134.8 | 177.1 | 75.9 | 0 | 0 | 0 | 0 | 108.8 | R3 R7 K8 A9 | R3-S5 PolarHBondContact O-N 3.48Å; S5-R7 PolarHBondContact O-N 3.06Å; S5-K8 PolarHBondContact O-N 3.49Å; S5-A9 PolarHBondContact O-N 3.11Å | ||
| 6 | R | 62.8 | Low | 65.4 | Low | 219 Ų | 219 | 148 Ų | 148 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -44.7 | -34.2 | 179.5 | -122.8 | 178.7 | -179.8 | -172.6 | -0.4 | 113.1 | L4 L10 | L4-R6 PolarHBondContact O-N 3.11Å; R6-L10 WeakPolarHBondContact O-CB 3.47Å; R6-L10 WeakPolarHBondContact O-CD1 3.45Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.21Å |
| 7 | R | 67.3 | Low | 65.2 | Low | 215 Ų | 215 | 143.8 Ų | 143.8 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.4 | -38.5 | 178.8 | -66.8 | -174.8 | -179.9 | 179.4 | -0.4 | 113.7 | S5 L10 S11 | S5-R7 PolarHBondContact O-N 3.06Å; R7-L10 PolarHBondContact O-N 3.19Å; R7-S11 PolarHBondContact O-N 3.26Å |
| 8 | K | 70.5 | Confident | 65.6 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.8 | -33 | 176.7 | -77.5 | -173.4 | 174.8 | -173 | 0 | 112.5 | L4 S5 S11 L12 | L4-K8 HydrophobicContact CD2-CB 4.46Å; S5-K8 PolarHBondContact O-N 3.49Å; K8-S11 PolarHBondContact O-OG 2.85Å; K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.17Å |
| 9 | A | 70.9 | Confident | 65.4 | Low | 45 Ų | 45 | 142.1 Ų | 142.1 | 37% | 0.372 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -67.7 | -41.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S5 S11 L12 V13 | S5-A9 PolarHBondContact O-N 3.11Å; A9-S11 PolarHBondContact O-N 2.94Å; A9-L12 PolarHBondContact O-N 3.34Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.45Å; A9-V13 PolarHBondContact O-N 3.43Å |
| 10 | L | 69.4 | Low | 65.6 | Low | 117 Ų | 117 | 141 Ų | 141 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.8 | -37 | 176.1 | -80.5 | 162.4 | 0 | 0 | 0 | 113.1 | R6 R7 K14 | R6-L10 WeakPolarHBondContact O-CB 3.47Å; R6-L10 WeakPolarHBondContact O-CD1 3.45Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.21Å; R7-L10 PolarHBondContact O-N 3.19Å; L10-K14 VanDerWaalsContact O-CB 3.29Å; L10-K14 WeakPolarHBondContact O-CB 3.47Å; L10-K14 PolarHBondContact O-N 2.92Å |
| 11 | S | 73.5 | Confident | 65.6 | Low | 56 Ų | 56 | 142.1 Ų | 142.1 | 39% | 0.392 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -69.2 | -41.1 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | R7 K8 A9 K14 E15 | R7-S11 PolarHBondContact O-N 3.26Å; K8-S11 PolarHBondContact O-OG 2.85Å; A9-S11 PolarHBondContact O-N 2.94Å; S11-K14 PolarHBondContact O-N 3.1Å; S11-E15 PolarHBondContact O-N 3.22Å |
| 12 | L | 74.3 | Confident | 67 | Low | 94 Ų | 94 | 135.2 Ų | 135.2 | 49% | 0.492 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -63.3 | -41.2 | 175.6 | -97.8 | 164.8 | 0 | 0 | 0 | 112.8 | K8 A9 K14 E15 L16 | K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 3.34Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.49Å; L12-E15 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | V | 73.3 | Confident | 68.2 | Low | 101 Ų | 101 | 126.2 Ų | 126.2 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -34 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | A9 L16 D17 | A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.45Å; A9-V13 PolarHBondContact O-N 3.43Å; V13-L16 PolarHBondContact O-N 3.14Å; V13-D17 PolarHBondContact O-N 2.84Å |
| 14 | K | 67.4 | Low | 68.5 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.3 | -27.3 | 177.4 | -162.8 | 177.4 | -177.9 | -174.2 | 0 | 113 | L10 S11 L12 | L10-K14 VanDerWaalsContact O-CB 3.29Å; L10-K14 WeakPolarHBondContact O-CB 3.47Å; L10-K14 PolarHBondContact O-N 2.92Å; S11-K14 PolarHBondContact O-N 3.1Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.49Å |
| 15 | E | 72.1 | Confident | 68.8 | Low | 157 Ų | 157 | 120.1 Ų | 120.1 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.2 | -22.8 | 173.6 | -78.8 | 176.7 | 163.9 | 0 | 0 | 113.2 | S11 L12 D17 | S11-E15 PolarHBondContact O-N 3.22Å; L12-E15 PolarHBondContact O-N 3.36Å; E15-D17 VanDerWaalsContact C-N 3.33Å |
| 16 | L | 75.9 | Confident | 68.1 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -85.6 | -3.9 | 174 | -74.6 | 164.2 | 0 | 0 | 0 | 113.5 | L12 V13 A18 | L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-L16 VanDerWaalsContact O-N 3.13Å; V13-L16 PolarHBondContact O-N 3.14Å; L16-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact O-N 3.12Å |
| 17 | D | 63.2 | Low | 67.7 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | trans | -79.6 | 90.4 | 178.4 | -163.7 | 1.7 | 0 | 0 | 0 | 109.5 | V13 E15 F19 | V13-D17 PolarHBondContact O-N 2.84Å; E15-D17 VanDerWaalsContact C-N 3.33Å; D17-F19 PolarHBondContact O-N 2.94Å | ||
| 18 | A | 71.4 | Confident | 67.3 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 74% | 0.744 | 63% | 0.625 | S | S | * | * | trans | -74.8 | 3.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L16 | L16-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact O-N 3.12Å | ||
| 19 | F | 62.3 | Low | 66.7 | Low | 164 Ų | 164 | 116.3 Ų | 116.3 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -114.1 | 131.7 | -174.8 | -65.5 | -78.1 | 0 | 0 | 0 | 111.7 | D17 K21 | D17-F19 PolarHBondContact O-N 2.94Å; F19-K21 PolarHBondContact O-N 3.49Å |
| 20 | P | 69.9 | Low | 66.6 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.2 | 175.8 | 25.2 | -31.7 | 0 | 0 | 0 | 109.7 | V22 | P20-V22 PolarHBondContact O-N 3.31Š|
| 21 | K | 65.9 | Low | 66.4 | Low | 165 Ų | 165 | 116 Ų | 116 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 123.6 | 176.4 | -77.1 | -173.3 | 176.5 | -172.3 | 0 | 109.9 | F19 | F19-K21 PolarHBondContact O-N 3.49Š|
| 22 | V | 70.4 | Confident | 66.4 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 140.8 | 174.2 | -135.3 | 0 | 0 | 0 | 0 | 109 | P20 | P20-V22 PolarHBondContact O-N 3.31Š|
| 23 | A | 72.9 | Confident | 66.4 | Low | 56 Ų | 56 | 113.1 Ų | 113.1 | 46% | 0.463 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -60 | 140.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S25 Y26 | A23-S25 PolarHBondContact O-N 3.04Å; A23-Y26 HydrophobicContact CB-CD2 4.15Å; A23-Y26 PolarHBondContact O-N 3.06Å |
| 24 | D | 61.3 | Low | 66.8 | Low | 150 Ų | 150 | 110.1 Ų | 110.1 | 80% | 0.802 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -57.1 | -20.3 | -172.7 | -65 | -41.2 | 0 | 0 | 0 | 113.4 | Y26 V27 | D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.19Å; D24-V27 PolarHBondContact O-N 3.23Å |
| 25 | S | 62.5 | Low | 67.5 | Low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -67.8 | -19.1 | 174.4 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | A23 | A23-S25 PolarHBondContact O-N 3.04Š|
| 26 | Y | 53.8 | Low | 68 | Low | 188 Ų | 188 | 101.9 Ų | 101.9 | 74% | 0.737 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -102.2 | 5.7 | 178.7 | -63.2 | -81.3 | 0 | 0 | 0 | 112.8 | A23 D24 | A23-Y26 HydrophobicContact CB-CD2 4.15Å; A23-Y26 PolarHBondContact O-N 3.06Å; D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.19Å |
| 27 | V | 54.2 | Low | 68.5 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | trans | -109.8 | 92.4 | -176.7 | -174 | 0 | 0 | 0 | 0 | 109.4 | D24 T29 | D24-V27 PolarHBondContact O-N 3.23Å; V27-T29 HydrophobicContact CG1-CG2 4.02Å; V27-T29 PolarHBondContact O-N 3.16Å | ||
| 28 | E | 58.3 | Low | 69.7 | Low | 162 Ų | 162 | 100 Ų | 100 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | trans | -74.8 | 107.9 | 169 | -73.6 | -154.8 | 176 | 0 | 0 | 109.6 | R354 | E28-R354 IonicContact OE1-NH2 3.16Å; E28-R354 PolarHBondContact OE1-NH2 3.3Å; E28-R354 VanDerWaalsContact OE1-NH2 3.16Å; E28-R354 IonicContact OE2-NH2 3.04Å; E28-R354 PolarHBondContact OE2-NH2 3.17Å | ||
| 29 | T | 57.8 | Low | 70.6 | Confident | 131 Ų | 131 | 100.6 Ų | 100.6 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | trans | -88.3 | 113.5 | 175 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | V27 | V27-T29 HydrophobicContact CG1-CG2 4.02Å; V27-T29 PolarHBondContact O-N 3.16Å | ||
| 30 | S | 68.4 | Low | 71.9 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 43% | 0.434 | 55% | 0.55 | S | S | . | * | trans | -106.3 | 133.5 | 172.3 | 79.5 | 0 | 0 | 0 | 0 | 110.7 | S32 G33 G34 | S30-S32 PolarHBondContact O-N 2.96Å; S30-S32 PolarHBondContact OG-OG 3.4Å; S30-G33 PolarHBondContact O-N 3.41Å; S30-G33 PolarHBondContact OG-N 3.19Å; S30-G34 PolarHBondContact O-N 2.87Å | ||
| 31 | A | 66.2 | Low | 73 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 78% | 0.777 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -30.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T35 | A31-T35 PolarHBondContact O-N 3.41Å; A31-T35 PolarHBondContact O-OG1 3.17Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å |
| 32 | S | 73.2 | Confident | 74.3 | Confident | 72 Ų | 72 | 88.9 Ų | 88.9 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | S30 G34 T35 V36 | S30-S32 PolarHBondContact O-N 2.96Å; S30-S32 PolarHBondContact OG-OG 3.4Å; S32-G34 PolarHBondContact O-N 3.07Å; S32-T35 PolarHBondContact O-N 3.31Å; S32-V36 WeakPolarHBondContact O-CG2 3.31Å; S32-V36 PolarHBondContact O-N 3.47Å; S32-V36 VanDerWaalsContact O-N 3.17Å |
| 33 | G | 74.6 | Confident | 75.4 | Confident | 17 Ų | 17 | 85.9 Ų | 85.9 | 18% | 0.175 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -66 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S30 S37 | S30-G33 PolarHBondContact O-N 3.41Å; S30-G33 PolarHBondContact OG-N 3.19Å; G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 2.89Å; G33-S37 PolarHBondContact O-OG 3.42Å |
| 34 | G | 80.3 | Confident | 76.4 | Confident | 37 Ų | 37 | 84 Ų | 84 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S30 S32 S37 I38 | S30-G34 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.07Å; G34-S37 PolarHBondContact O-N 3.28Å; G34-I38 WeakPolarHBondContact O-CG1 3.3Å; G34-I38 PolarHBondContact O-N 3.43Å |
| 35 | T | 82.4 | Confident | 78 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | A31 S32 S37 I38 I39 | A31-T35 PolarHBondContact O-N 3.41Å; A31-T35 PolarHBondContact O-OG1 3.17Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å; S32-T35 PolarHBondContact O-N 3.31Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.05Å; T35-I38 PolarHBondContact O-N 3.38Å; T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 WeakPolarHBondContact O-CG1 3.16Å; T35-I39 PolarHBondContact O-N 2.9Å |
| 36 | V | 83.9 | Confident | 79.6 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 33% | 0.327 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | S32 I39 A40 T328 | S32-V36 WeakPolarHBondContact O-CG2 3.31Å; S32-V36 PolarHBondContact O-N 3.47Å; S32-V36 VanDerWaalsContact O-N 3.17Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-A40 WeakPolarHBondContact O-CB 3.21Å; V36-A40 PolarHBondContact O-N 3.45Å; V36-T328 HydrophobicContact CG1-CG2 3.59Å |
| 37 | S | 85.4 | Confident | 81.6 | Confident | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | G33 G34 T35 I39 A40 F41 | G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 2.89Å; G33-S37 PolarHBondContact O-OG 3.42Å; G34-S37 PolarHBondContact O-N 3.28Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.05Å; S37-I39 VanDerWaalsContact C-N 3.34Å; S37-I39 PolarHBondContact O-N 2.95Å; S37-A40 PolarHBondContact O-N 2.8Å; S37-F41 WeakPolarHBondContact O-CD2 3.26Å; S37-F41 PolarHBondContact O-N 3.03Å |
| 38 | I | 89.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 176.7 | -68.9 | 165.4 | 0 | 0 | 0 | 111 | G34 T35 F41 S42 | G34-I38 WeakPolarHBondContact O-CG1 3.3Å; G34-I38 PolarHBondContact O-N 3.43Å; T35-I38 PolarHBondContact O-N 3.38Å; I38-F41 PolarHBondContact O-N 3.46Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 2.99Å; I38-S42 PolarHBondContact O-OG 2.86Å |
| 39 | I | 89.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.1 | -66.2 | 167.9 | 0 | 0 | 0 | 110.1 | T35 V36 S37 F41 S42 A43 | T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 WeakPolarHBondContact O-CG1 3.16Å; T35-I39 PolarHBondContact O-N 2.9Å; V36-I39 PolarHBondContact O-N 3.31Å; S37-I39 VanDerWaalsContact C-N 3.34Å; S37-I39 PolarHBondContact O-N 2.95Å; I39-F41 PolarHBondContact O-N 2.94Å; I39-S42 PolarHBondContact O-N 3.36Å; I39-S42 PolarHBondContact O-OG 3.05Å; I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.05Å |
| 40 | A | 89.9 | Confident | 87.1 | Confident | 9 Ų | 9 | 66 Ų | 66 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V36 S37 A43 M44 I324 T328 | V36-A40 WeakPolarHBondContact O-CB 3.21Å; V36-A40 PolarHBondContact O-N 3.45Å; S37-A40 PolarHBondContact O-N 2.8Å; A40-A43 PolarHBondContact O-N 3.46Å; A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 2.92Å; A40-I324 HydrophobicContact CB-CG2 4.11Å; A40-T328 HydrophobicContact CB-CG2 3.98Å |
| 41 | F | 91.4 | Very high | 88.4 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 59% | 0.588 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64 | -39.6 | 175.3 | -79.9 | -68.1 | 0 | 0 | 0 | 112.7 | S37 I38 I39 M44 A45 | S37-F41 WeakPolarHBondContact O-CD2 3.26Å; S37-F41 PolarHBondContact O-N 3.03Å; I38-F41 PolarHBondContact O-N 3.46Å; I39-F41 PolarHBondContact O-N 2.94Å; F41-M44 HydrophobicContact CB-CE 4.49Å; F41-M44 HydrophobicContact CD1-CE 3.51Å; F41-M44 HydrophobicContact CE1-CE 3.78Å; F41-M44 HydrophobicContact CG-CE 3.99Å; F41-M44 HydrophobicContact CZ-CE 4.47Å; F41-M44 PolarHBondContact O-N 3.39Å; F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.19Å |
| 42 | S | 93.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175 | 75.1 | 0 | 0 | 0 | 0 | 111.7 | I38 I39 A45 V46 | I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 2.99Å; I38-S42 PolarHBondContact O-OG 2.86Å; I39-S42 PolarHBondContact O-N 3.36Å; I39-S42 PolarHBondContact O-OG 3.05Å; S42-A45 PolarHBondContact O-N 2.87Å; S42-V46 WeakPolarHBondContact O-CG2 3.41Å; S42-V46 PolarHBondContact O-N 3.34Å |
| 43 | A | 93.4 | Very high | 90.8 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I39 A40 A45 V46 L47 | I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.05Å; A40-A43 PolarHBondContact O-N 3.46Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 3.35Å; A43-V46 PolarHBondContact O-N 2.92Å; A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.28Å |
| 44 | M | 94.8 | Very high | 91.6 | Very high | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 173.7 | -76.8 | -173.2 | -81.2 | 0 | 0 | 111.7 | A40 F41 A48 V321 I324 | A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 2.92Å; F41-M44 HydrophobicContact CB-CE 4.49Å; F41-M44 HydrophobicContact CD1-CE 3.51Å; F41-M44 HydrophobicContact CE1-CE 3.78Å; F41-M44 HydrophobicContact CG-CE 3.99Å; F41-M44 HydrophobicContact CZ-CE 4.47Å; F41-M44 PolarHBondContact O-N 3.39Å; M44-A48 VanDerWaalsContact O-CB 3.25Å; M44-A48 WeakPolarHBondContact O-CB 3.43Å; M44-A48 PolarHBondContact O-N 3.27Å; M44-V321 HydrophobicContact SD-CB 4.48Å; M44-V321 HydrophobicContact SD-CG1 4.06Å; M44-I324 HydrophobicContact CB-CD1 4.28Å; M44-I324 HydrophobicContact CE-CG2 4.31Å; M44-I324 HydrophobicContact CG-CB 3.67Å; M44-I324 HydrophobicContact CG-CD1 3.49Å; M44-I324 VanDerWaalsContact CG-CD1 3.49Å; M44-I324 HydrophobicContact CG-CG1 4.15Å; M44-I324 HydrophobicContact CG-CG2 3.65Å; M44-I324 HydrophobicContact SD-CB 4.12Å; M44-I324 HydrophobicContact SD-CG2 4.13Å |
| 45 | A | 94.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F41 S42 A43 A48 I49 | F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.19Å; S42-A45 PolarHBondContact O-N 2.87Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 3.35Å; A45-A48 PolarHBondContact O-N 3.45Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.35Å; A45-I49 PolarHBondContact O-N 3.39Å |
| 46 | V | 96.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 74.8 Ų | 74.8 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | S42 A43 A48 I49 L50 | S42-V46 WeakPolarHBondContact O-CG2 3.41Å; S42-V46 PolarHBondContact O-N 3.34Å; A43-V46 PolarHBondContact O-N 2.92Å; V46-A48 PolarHBondContact O-N 3.46Å; V46-I49 PolarHBondContact O-N 2.89Å; V46-L50 HydrophobicContact CG1-CD1 4.04Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.27Å |
| 47 | L | 96.1 | Very high | 92.7 | Very high | 76 Ų | 76 | 76.5 Ų | 76.5 | 40% | 0.398 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 179.1 | -68.6 | -173.6 | 0 | 0 | 0 | 112.4 | A43 I49 L50 E51 I320 I324 | A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.28Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.38Å; L47-L50 HydrophobicContact CD2-CD1 4.34Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-E51 VanDerWaalsContact O-CB 3.26Å; L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.24Å; L47-I320 HydrophobicContact CB-CG2 3.76Å; L47-I320 HydrophobicContact CD1-CG2 4Å; L47-I324 HydrophobicContact CD1-CD1 3.71Å |
| 48 | A | 95.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M44 A45 V46 E51 F52 L317 | M44-A48 VanDerWaalsContact O-CB 3.25Å; M44-A48 WeakPolarHBondContact O-CB 3.43Å; M44-A48 PolarHBondContact O-N 3.27Å; A45-A48 PolarHBondContact O-N 3.45Å; V46-A48 PolarHBondContact O-N 3.46Å; A48-E51 PolarHBondContact O-N 3.3Å; A48-F52 WeakPolarHBondContact O-CB 3.12Å; A48-F52 PolarHBondContact O-N 2.92Å; A48-L317 HydrophobicContact CB-CD1 3.7Å |
| 49 | I | 95.6 | Very high | 92.5 | Very high | 95 Ų | 95 | 74.1 Ų | 74.1 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.2 | -70.3 | 165.2 | 0 | 0 | 0 | 110.7 | A45 V46 L47 E51 F52 F53 | A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.35Å; A45-I49 PolarHBondContact O-N 3.39Å; V46-I49 PolarHBondContact O-N 2.89Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.38Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.48Å; I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 3.39Å; I49-F53 HydrophobicContact CG2-CZ 4.38Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.49Å |
| 50 | L | 95 | Very high | 92.2 | Very high | 95 Ų | 95 | 70 Ų | 70 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.7 | -70 | 174.5 | 0 | 0 | 0 | 111.5 | V46 L47 F52 F53 V54 | V46-L50 HydrophobicContact CG1-CD1 4.04Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.27Å; L47-L50 HydrophobicContact CD2-CD1 4.34Å; L47-L50 PolarHBondContact O-N 2.86Å; L50-F52 VanDerWaalsContact C-N 3.28Å; L50-F52 PolarHBondContact O-N 2.96Å; L50-F53 WeakPolarHBondContact O-CB 3.43Å; L50-F53 PolarHBondContact O-N 3.17Å; L50-F53 VanDerWaalsContact O-N 3.12Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 2.97Å |
| 51 | E | 95.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 176.7 | -172.4 | 60 | -150.7 | 0 | 0 | 111.8 | L47 A48 I49 V54 Y55 F313 R316 I320 | L47-E51 VanDerWaalsContact O-CB 3.26Å; L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.24Å; A48-E51 PolarHBondContact O-N 3.3Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 2.99Å; E51-V54 PolarHBondContact O-N 2.97Å; E51-Y55 WeakPolarHBondContact O-CB 3.38Å; E51-Y55 PolarHBondContact O-N 3.26Å; E51-F313 HydrophobicContact CG-CD2 4.14Å; E51-F313 HydrophobicContact CG-CE2 3.95Å; E51-R316 IonicContact OE1-CZ 3.36Å; E51-R316 IonicContact OE1-NE 3.75Å; E51-R316 PolarHBondContact OE1-NE 3.45Å; E51-R316 IonicContact OE1-NH2 3.21Å; E51-R316 PolarHBondContact OE1-NH2 2.99Å; E51-R316 IonicContact OE2-CZ 3.65Å; E51-R316 IonicContact OE2-NE 3.49Å; E51-R316 IonicContact OE2-NH2 2.79Å; E51-R316 PolarHBondContact OE2-NH2 3.45Å; E51-I320 HydrophobicContact CB-CD1 4Å; E51-I320 HydrophobicContact CG-CD1 3.99Å |
| 52 | F | 94.6 | Very high | 92 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 172.5 | 178.8 | -102.2 | 0 | 0 | 0 | 112.4 | A48 I49 L50 Y55 R56 F313 | A48-F52 WeakPolarHBondContact O-CB 3.12Å; A48-F52 PolarHBondContact O-N 2.92Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.48Å; L50-F52 VanDerWaalsContact C-N 3.28Å; L50-F52 PolarHBondContact O-N 2.96Å; F52-Y55 HydrophobicContact CD2-CD1 4.42Å; F52-Y55 PolarHBondContact O-N 3.32Å; F52-R56 HydrophobicContact CE1-CG 4.12Å; F52-R56 HydrophobicContact CE2-CG 4.37Å; F52-R56 HydrophobicContact CZ-CG 4.05Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.87Å; F52-F313 HydrophobicContact CD2-CZ 4.37Å |
| 53 | F | 93.6 | Very high | 91.9 | Very high | 127 Ų | 127 | 70.5 Ų | 70.5 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 173.3 | -73.6 | -61.6 | 0 | 0 | 0 | 111.9 | I49 L50 R56 D57 | I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 3.39Å; I49-F53 HydrophobicContact CG2-CZ 4.38Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.49Å; L50-F53 WeakPolarHBondContact O-CB 3.43Å; L50-F53 PolarHBondContact O-N 3.17Å; L50-F53 VanDerWaalsContact O-N 3.12Å; F53-R56 PolarHBondContact O-N 3.36Å; F53-D57 PolarHBondContact O-N 3.06Å; F53-D57 VanDerWaalsContact O-N 3.12Å |
| 54 | V | 91.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 76.7 Ų | 76.7 | 47% | 0.473 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L50 E51 R56 D57 | L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 2.97Å; E51-V54 PolarHBondContact O-N 2.97Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.47Å; V54-D57 PolarHBondContact O-N 2.94Å |
| 55 | Y | 92.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 80.1 Ų | 80.1 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.2 | -35 | 176.2 | 170 | -108.9 | 0 | 0 | 0 | 113 | E51 F52 D57 M308 F313 | E51-Y55 WeakPolarHBondContact O-CB 3.38Å; E51-Y55 PolarHBondContact O-N 3.26Å; F52-Y55 HydrophobicContact CD2-CD1 4.42Å; F52-Y55 PolarHBondContact O-N 3.32Å; Y55-D57 VanDerWaalsContact C-N 3.34Å; Y55-M308 HydrophobicContact CD2-CB 4.01Å; Y55-M308 HydrophobicContact CD2-CE 3.83Å; Y55-M308 HydrophobicContact CD2-CG 4.18Å; Y55-M308 VanDerWaalsContact CE2-O 3.27Å; Y55-M308 WeakPolarHBondContact CE2-O 3.26Å; Y55-M308 HydrophobicContact CG-CE 4.25Å; Y55-F313 HydrophobicContact CD2-CB 3.68Å; Y55-F313 HydrophobicContact CD2-CD1 4.49Å; Y55-F313 HydrophobicContact CD2-CD2 4.15Å; Y55-F313 AromaticContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CE2-CB 4.06Å; Y55-F313 HydrophobicContact CE2-CG 4.38Å; Y55-F313 HydrophobicContact CG-CB 4.27Å; Y55-F313 HydrophobicContact CG-CD1 4.44Å; Y55-F313 AromaticContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CE2 4.33Å; Y55-F313 AromaticContact CG-CG 3.92Å; Y55-F313 HydrophobicContact CG-CG 3.92Å |
| 56 | R | 89.6 | Confident | 91.8 | Very high | 178 Ų | 178 | 82.1 Ų | 82.1 | 67% | 0.672 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77.4 | -19.7 | 177.5 | -76.1 | -167.5 | 65.2 | 159.7 | 3 | 113.8 | F52 F53 V54 | F52-R56 HydrophobicContact CE1-CG 4.12Å; F52-R56 HydrophobicContact CE2-CG 4.37Å; F52-R56 HydrophobicContact CZ-CG 4.05Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.87Å; F53-R56 PolarHBondContact O-N 3.36Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.47Å |
| 57 | D | 87.8 | Confident | 91.5 | Very high | 91 Ų | 91 | 78.6 Ų | 78.6 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -81.4 | 146.9 | 176.4 | -161.9 | 26 | 0 | 0 | 0 | 110.5 | F53 V54 Y55 K145 | F53-D57 PolarHBondContact O-N 3.06Å; F53-D57 VanDerWaalsContact O-N 3.12Å; V54-D57 PolarHBondContact O-N 2.94Å; Y55-D57 VanDerWaalsContact C-N 3.34Å; D57-K145 IonicContact OD1-NZ 2.9Å; D57-K145 PolarHBondContact OD1-NZ 2.99Å; D57-K145 IonicContact OD2-NZ 2.66Å | ||
| 58 | T | 85.3 | Confident | 91.2 | Very high | 29 Ų | 29 | 83.6 Ų | 83.6 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 155 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | K145 E305 Q306 H307 | T58-K145 WeakPolarHBondContact O-CE 3.26Å; T58-K145 PolarHBondContact O-NZ 2.9Å; T58-E305 VanDerWaalsContact CB-OE1 3.3Å; T58-E305 WeakPolarHBondContact CB-OE1 3.49Å; T58-E305 HydrophobicContact CG2-CG 4.17Å; T58-E305 WeakPolarHBondContact CG2-OE1 3.42Å; T58-E305 PolarHBondContact OG1-OE1 2.93Å; T58-Q306 WeakPolarHBondContact CA-O 3.01Å; T58-H307 HydrophobicContact CG2-CB 4.4Å |
| 59 | W | 85.1 | Confident | 90.7 | Very high | 98 Ų | 98 | 85.2 Ų | 85.2 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151 | 171.8 | 61.5 | 84.7 | 0 | 0 | 0 | 110.4 | Q306 M308 | W59-Q306 HydrophobicContact CZ2-CB 4.22Å; W59-Q306 PolarHBondContact N-O 2.79Å; W59-Q306 PolarHBondContact O-N 3.36Å; W59-M308 HydrophobicContact CH2-CB 3.84Å; W59-M308 HydrophobicContact CZ3-CB 3.91Å |
| 60 | M | 84.2 | Confident | 89.9 | Confident | 16 Ų | 16 | 87.7 Ų | 87.7 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.5 | 175.1 | -57.4 | -52.4 | -62.6 | 0 | 0 | 108.6 | Y62 E141 T259 V303 E305 | M60-Y62 HydrophobicContact CB-CE2 3.93Å; M60-E141 HydrophobicContact CB-CG 4.47Å; M60-T259 HydrophobicContact CE-CG2 4.05Å; M60-V303 HydrophobicContact CE-CG1 3.37Å; M60-E305 HydrophobicContact CE-CB 4.43Å; M60-E305 HydrophobicContact SD-CB 4.17Å; M60-E305 HydrophobicContact SD-CG 4.29Å |
| 61 | K | 88.1 | Confident | 89.2 | Confident | 80 Ų | 80 | 88.4 Ų | 88.4 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.7 | 174 | -169.9 | -175.2 | -177.4 | -164.7 | 0 | 109.4 | E63 S304 Q306 | K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CE-OE1 3.29Å; K61-E63 HydrophobicContact CG-CG 4.35Å; K61-E63 IonicContact NZ-OE1 3.69Å; K61-E63 PolarHBondContact NZ-OE1 3.45Å; K61-S304 PolarHBondContact N-O 3.19Å; K61-S304 PolarHBondContact O-N 3.48Å; K61-Q306 HydrophobicContact CB-CG 4.13Å |
| 62 | Y | 88.6 | Confident | 88.8 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.6 | 177.3 | -59.4 | -94 | 0 | 0 | 0 | 109.4 | M60 E141 V301 V303 | M60-Y62 HydrophobicContact CB-CE2 3.93Å; Y62-E141 HydrophobicContact CE2-CG 4.05Å; Y62-E141 WeakPolarHBondContact CE2-OE1 3.04Å; Y62-V301 HydrophobicContact CD1-CG1 4.11Å; Y62-V303 HydrophobicContact CD1-CG1 4.43Å; Y62-V303 HydrophobicContact CD1-CG2 3.66Å; Y62-V303 HydrophobicContact CE1-CG1 4.03Å; Y62-V303 HydrophobicContact CE1-CG2 3.71Å |
| 63 | E | 91.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 91 Ų | 91 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.2 | 175 | -66.6 | -177.9 | 166.8 | 0 | 0 | 109.3 | K61 V301 T302 | K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CE-OE1 3.29Å; K61-E63 HydrophobicContact CG-CG 4.35Å; K61-E63 IonicContact NZ-OE1 3.69Å; K61-E63 PolarHBondContact NZ-OE1 3.45Å; E63-V301 CarbonylContact O-C 3.59Å; E63-V301 WeakPolarHBondContact O-CA 3.35Å; E63-T302 PolarHBondContact N-O 3.11Å; E63-T302 PolarHBondContact O-N 2.87Å |
| 64 | Y | 92.4 | Very high | 88.4 | Confident | 169 Ų | 169 | 85 Ų | 85 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.4 | 179.8 | -61.4 | -88.7 | 0 | 0 | 0 | 109 | M300 V301 | Y64-M300 WeakPolarHBondContact CA-O 3.41Å; Y64-V301 HydrophobicContact CD1-CG2 3.76Å; Y64-V301 HydrophobicContact CE1-CG2 3.68Å |
| 65 | E | 93.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 166.9 | -179.5 | -64.1 | -172.3 | 171.4 | 0 | 0 | 110.3 | M300 | E65-M300 HydrophobicContact CB-CE 3.89Å; E65-M300 PolarHBondContact N-O 2.83Å; E65-M300 PolarHBondContact O-N 2.9Å; E65-M300 WeakPolarHBondContact OE2-CE 3.43Å |
| 66 | V | 94 | Very high | 88.4 | Confident | 91 Ų | 91 | 81.6 Ų | 81.6 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.2 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | K68 | V66-K68 PolarHBondContact O-N 3.49Å |
| 67 | D | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | trans | -66 | 125.3 | 173.3 | -171 | 6 | 0 | 0 | 0 | 110.5 | D69 F70 K179 P254 S298 M300 | D67-D69 PolarHBondContact OD1-N 2.88Å; D67-F70 WeakPolarHBondContact O-CZ 3.45Å; D67-K179 IonicContact OD1-NZ 2.69Å; D67-K179 PolarHBondContact OD1-NZ 3.05Å; D67-K179 WeakPolarHBondContact OD2-CE 3.33Å; D67-K179 IonicContact OD2-NZ 3.79Å; D67-K179 PolarHBondContact OD2-NZ 2.97Å; D67-P254 WeakPolarHBondContact OD2-CG 3.15Å; D67-S298 PolarHBondContact N-O 3.2Å; D67-M300 HydrophobicContact CB-CB 4.13Å | ||
| 68 | K | 89.3 | Confident | 88.9 | Confident | 181 Ų | 181 | 69.1 Ų | 69.1 | 79% | 0.787 | 33% | 0.327 | S | S | * | . | trans | -104.6 | -9.7 | -179.2 | -62.9 | 176.6 | -173.7 | 169.1 | 0 | 112.2 | V66 | V66-K68 PolarHBondContact O-N 3.49Š| ||
| 69 | D | 84.8 | Confident | 89.4 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | trans | -101.4 | 93.2 | -174.2 | -179.4 | 20.4 | 0 | 0 | 0 | 111 | D67 S71 S72 K179 | D67-D69 PolarHBondContact OD1-N 2.88Å; D69-S71 PolarHBondContact OD1-N 3.32Å; D69-S71 PolarHBondContact OD1-OG 2.71Å; D69-S72 PolarHBondContact OD1-N 3.29Å; D69-S72 PolarHBondContact OD1-OG 2.95Å; D69-S72 WeakPolarHBondContact OD2-CB 3.39Å; D69-S72 PolarHBondContact OD2-OG 3.24Å; D69-K179 WeakPolarHBondContact O-CD 3.4Å; D69-K179 PolarHBondContact O-NZ 3.49Å | ||
| 70 | F | 79.1 | Confident | 89.9 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | trans | -97 | -10.3 | 178.6 | -57.4 | -79 | 0 | 0 | 0 | 113.3 | D67 | D67-F70 WeakPolarHBondContact O-CZ 3.45Š| ||
| 71 | S | 81.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 63.9 Ų | 63.9 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -95.5 | -19.9 | -173.3 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | D69 | D69-S71 PolarHBondContact OD1-N 3.32Å; D69-S71 PolarHBondContact OD1-OG 2.71Å |
| 72 | S | 86.9 | Confident | 90.9 | Very high | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -64.3 | 151.2 | 176 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | D69 K179 | D69-S72 PolarHBondContact OD1-N 3.29Å; D69-S72 PolarHBondContact OD1-OG 2.95Å; D69-S72 WeakPolarHBondContact OD2-CB 3.39Å; D69-S72 PolarHBondContact OD2-OG 3.24Å; S72-K179 WeakPolarHBondContact O-CB 3.08Å |
| 73 | K | 89.1 | Confident | 91.2 | Very high | 120 Ų | 120 | 57.5 Ų | 57.5 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 137.2 | 173.4 | -61.9 | -67.6 | -178.4 | 170.5 | 0 | 109.1 | Y176 V177 N178 | K73-Y176 HydrophobicContact CB-CD1 4.22Å; K73-V177 CarbonylContact C-O 3.59Å; K73-V177 VanDerWaalsContact CA-O 3.29Å; K73-V177 WeakPolarHBondContact CA-O 3.33Å; K73-N178 PolarHBondContact NZ-OD1 2.98Å |
| 74 | L | 90.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.6 | 172.1 | 179.6 | 63.2 | 0 | 0 | 0 | 108.8 | V177 K179 F221 T296 | L74-V177 HydrophobicContact CB-CG2 3.89Å; L74-V177 HydrophobicContact CD2-CG2 4.33Å; L74-V177 HydrophobicContact CG-CG2 4.31Å; L74-V177 PolarHBondContact N-O 3.43Å; L74-V177 WeakPolarHBondContact O-CG2 3.32Å; L74-V177 PolarHBondContact O-N 3.47Å; L74-K179 HydrophobicContact CB-CB 4.45Å; L74-F221 HydrophobicContact CD1-CB 4.25Å; L74-F221 HydrophobicContact CD2-CD1 3.94Å; L74-F221 HydrophobicContact CG-CD1 4.32Å; L74-T296 HydrophobicContact CD2-CG2 4.18Å |
| 75 | R | 91.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.9 | 170.4 | -178.9 | 175.6 | 168 | -174.4 | -9.9 | 108.8 | N77 H174 A175 Y176 F221 G222 | R75-N77 VanDerWaalsContact CZ-OD1 3.27Å; R75-N77 PolarHBondContact NE-OD1 3Å; R75-N77 PolarHBondContact NH2-OD1 2.95Å; R75-H174 HydrophobicContact CG-CB 4.32Å; R75-A175 CarbonylContact C-O 3.55Å; R75-A175 WeakPolarHBondContact CA-O 3.46Å; R75-Y176 HydrophobicContact CB-CD1 4.08Å; R75-Y176 HydrophobicContact CB-CE1 3.87Å; R75-Y176 HydrophobicContact CG-CE1 4.2Å; R75-F221 CarbonylContact O-C 3.14Å; R75-F221 WeakPolarHBondContact O-CA 3.25Å; R75-G222 PolarHBondContact O-N 2.68Å |
| 76 | I | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123 | 171.1 | -51.5 | -179 | 0 | 0 | 0 | 107.1 | V78 H174 A175 V177 L219 F221 Y294 | I76-V78 HydrophobicContact CG2-CG2 3.75Å; I76-H174 CarbonylContact O-C 3.58Å; I76-H174 WeakPolarHBondContact O-CA 3.27Å; I76-A175 PolarHBondContact N-O 3.18Å; I76-A175 PolarHBondContact O-N 2.93Å; I76-V177 HydrophobicContact CD1-CG1 4Å; I76-V177 HydrophobicContact CD1-CG2 3.68Å; I76-V177 HydrophobicContact CG1-CG2 3.95Å; I76-L219 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CB-CD1 4.48Å; I76-F221 HydrophobicContact CD1-CD1 4.41Å; I76-F221 HydrophobicContact CD1-CE1 3.96Å; I76-F221 HydrophobicContact CG1-CD1 3.86Å; I76-F221 HydrophobicContact CG1-CE1 3.88Å; I76-F221 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CG2-CE1 4.02Å; I76-Y294 HydrophobicContact CD1-CD1 4.28Å; I76-Y294 HydrophobicContact CD1-CE1 3.69Å; I76-Y294 HydrophobicContact CD1-CE2 4.28Å |
| 77 | N | 93.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.3 | 172.4 | -47.2 | -64.4 | 0 | 0 | 0 | 108.2 | R75 H174 L219 S220 G222 E224 | R75-N77 VanDerWaalsContact CZ-OD1 3.27Å; R75-N77 PolarHBondContact NE-OD1 3Å; R75-N77 PolarHBondContact NH2-OD1 2.95Å; N77-H174 WeakPolarHBondContact OD1-CB 3.45Å; N77-L219 WeakPolarHBondContact O-CA 3.47Å; N77-S220 WeakPolarHBondContact CB-OG 3.44Å; N77-S220 PolarHBondContact N-O 2.9Å; N77-S220 PolarHBondContact ND2-OG 2.72Å; N77-S220 PolarHBondContact O-N 2.79Å; N77-G222 PolarHBondContact ND2-O 3.44Å; N77-G222 VanDerWaalsContact ND2-O 3.12Å; N77-E224 WeakPolarHBondContact CB-OE1 3.44Å; N77-E224 WeakPolarHBondContact ND2-CG 3.27Å; N77-E224 PolarHBondContact ND2-OE1 2.94Å; N77-E224 PolarHBondContact OD1-OE1 3.3Å |
| 78 | V | 94.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.5 | -174.5 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | I76 V80 L106 H172 G173 L184 L219 | I76-V78 HydrophobicContact CG2-CG2 3.75Å; V78-V80 HydrophobicContact CG1-CB 4.36Å; V78-V80 HydrophobicContact CG1-CG2 3.7Å; V78-L106 HydrophobicContact CB-CD2 4.22Å; V78-H172 CarbonylContact O-C 3.59Å; V78-H172 WeakPolarHBondContact O-CA 3.48Å; V78-G173 PolarHBondContact N-O 3.39Å; V78-G173 PolarHBondContact O-N 3.44Å; V78-L184 HydrophobicContact CG1-CD2 4.34Å; V78-L184 HydrophobicContact CG2-CD2 3.84Å; V78-L219 HydrophobicContact CG2-CD1 4Å |
| 79 | D | 95.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 98.6 | 164.8 | -166.6 | -8.6 | 0 | 0 | 0 | 107.7 | R170 I171 H172 D217 H218 | D79-R170 WeakPolarHBondContact OD1-CG 3.37Å; D79-R170 IonicContact OD1-CZ 3.57Å; D79-R170 IonicContact OD1-NE 3.28Å; D79-R170 PolarHBondContact OD1-NE 2.91Å; D79-R170 IonicContact OD1-NH2 2.69Å; D79-R170 IonicContact OD2-CZ 3.31Å; D79-R170 IonicContact OD2-NE 3.25Å; D79-R170 PolarHBondContact OD2-NE 3.48Å; D79-R170 IonicContact OD2-NH2 3.58Å; D79-R170 PolarHBondContact OD2-NH2 3.43Å; D79-I171 WeakPolarHBondContact CA-O 3.38Å; D79-H172 HydrophobicContact CB-CB 4.23Å; D79-D217 HydrophobicContact CB-CB 4.24Å; D79-D217 PolarHBondContact O-N 3.13Å; D79-H218 HydrophobicContact CB-CB 3.95Å; D79-H218 PolarHBondContact N-O 3.45Å; D79-H218 PolarHBondContact O-N 2.83Å |
| 80 | V | 95.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.7 | -174.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V78 V82 I171 I186 R215 I216 | V78-V80 HydrophobicContact CG1-CB 4.36Å; V78-V80 HydrophobicContact CG1-CG2 3.7Å; V80-V82 HydrophobicContact CG1-CG2 4.14Å; V80-I171 PolarHBondContact N-O 3.12Å; V80-I171 PolarHBondContact O-N 2.94Å; V80-I186 HydrophobicContact CB-CD1 4.4Å; V80-I186 HydrophobicContact CG1-CD1 4.09Å; V80-R215 CarbonylContact C-O 3.57Å; V80-R215 WeakPolarHBondContact CA-O 3.39Å; V80-I216 HydrophobicContact CG2-CB 4.48Å; V80-I216 HydrophobicContact CG2-CG1 4.22Å; V80-I216 HydrophobicContact CG2-CG2 4.22Å |
| 81 | T | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.1 | 175 | -60.1 | 0 | 0 | 0 | 0 | 110 | V111 F113 A168 C169 H214 R215 D217 | T81-V111 HydrophobicContact CG2-CG2 3.67Å; T81-F113 HydrophobicContact CG2-CD2 4.21Å; T81-A168 HydrophobicContact CG2-CB 3.9Å; T81-C169 CarbonylContact C-O 3.53Å; T81-C169 WeakPolarHBondContact CA-O 3.46Å; T81-H214 CarbonylContact O-C 3.46Å; T81-H214 WeakPolarHBondContact O-CA 3.47Å; T81-H214 WeakPolarHBondContact O-CB 3.41Å; T81-R215 PolarHBondContact N-O 2.93Å; T81-R215 PolarHBondContact O-N 2.72Å; T81-R215 PolarHBondContact OG1-NH2 3.03Å; T81-D217 PolarHBondContact OG1-OD2 2.95Å |
| 82 | V | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.8 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V80 M84 A168 C169 I171 I186 H214 I290 | V80-V82 HydrophobicContact CG1-CG2 4.14Å; V82-M84 HydrophobicContact CG1-CB 4.37Å; V82-M84 HydrophobicContact CG1-CG 4.33Å; V82-M84 PolarHBondContact O-N 3.47Å; V82-A168 CarbonylContact O-C 3.56Å; V82-A168 WeakPolarHBondContact O-CA 3.38Å; V82-A168 WeakPolarHBondContact O-CB 3.33Å; V82-C169 PolarHBondContact N-O 3.25Å; V82-C169 PolarHBondContact O-N 3.34Å; V82-I171 HydrophobicContact CG2-CD1 4.48Å; V82-I186 HydrophobicContact CG2-CG2 4.17Å; V82-H214 HydrophobicContact CG2-CB 4.23Å; V82-I290 HydrophobicContact CG1-CD1 4.32Å; V82-I290 HydrophobicContact CG2-CD1 3.87Å |
| 83 | A | 95.5 | Very high | 92.1 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 12% | 0.116 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -73.2 | 43.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F113 N167 N211 S213 | A83-F113 HydrophobicContact CB-CD1 4.47Å; A83-F113 HydrophobicContact CB-CD2 3.65Å; A83-F113 HydrophobicContact CB-CE2 3.9Å; A83-F113 HydrophobicContact CB-CG 3.96Å; A83-F113 HydrophobicContact CB-CZ 4.42Å; A83-N167 CarbonylContact C-O 3.58Å; A83-N211 HydrophobicContact CB-CB 4.48Å; A83-N211 WeakPolarHBondContact O-CB 3.23Å; A83-S213 WeakPolarHBondContact CB-O 3.47Å; A83-S213 PolarHBondContact N-O 3.19Å |
| 84 | M | 93.1 | Very high | 92 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -136.9 | 152.5 | 176.9 | -68 | 178 | 62 | 0 | 0 | 109.9 | V82 H88 N167 A168 C169 V188 N211 F212 | V82-M84 HydrophobicContact CG1-CB 4.37Å; V82-M84 HydrophobicContact CG1-CG 4.33Å; V82-M84 PolarHBondContact O-N 3.47Å; M84-H88 HydrophobicContact CE-CB 3.92Å; M84-N167 CarbonylContact C-O 3.56Å; M84-N167 PolarHBondContact N-O 3.09Å; M84-A168 CarbonylContact O-C 3.53Å; M84-A168 WeakPolarHBondContact O-CA 3.49Å; M84-C169 VanDerWaalsContact O-CB 3.3Å; M84-C169 WeakPolarHBondContact O-CB 3.5Å; M84-C169 PolarHBondContact O-N 3.36Å; M84-V188 HydrophobicContact CE-CG1 4.33Å; M84-V188 HydrophobicContact CE-CG2 3.98Å; M84-N211 HydrophobicContact CG-CB 4.23Å; M84-N211 VanDerWaalsContact CG-O 3.27Å; M84-N211 WeakPolarHBondContact CG-O 3.49Å; M84-N211 PolarHBondContact SD-N 3.28Å; M84-F212 HydrophobicContact SD-CE1 4.4Å |
| 85 | K | 92.5 | Very high | 91.7 | Very high | 124 Ų | 124 | 24.6 Ų | 24.6 | 54% | 0.539 | 12% | 0.118 | S | C | . | . | trans | -63 | 143 | 173.6 | -66 | -176.5 | 178 | 179.3 | 0 | 110.9 | Q87 H88 | K85-Q87 PolarHBondContact O-N 2.99Å; K85-H88 PolarHBondContact O-N 3.44Å | ||
| 86 | C | 91.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 28 Ų | 28 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20 | 180 | -66.9 | 0 | 0 | 0 | 0 | 115.3 | H88 E109 C169 | C86-H88 VanDerWaalsContact C-N 3.31Å; C86-E109 VanDerWaalsContact SG-C 3.52Å; C86-E109 PolarHBondContact SG-O 3.04Å; C86-C169 WeakPolarHBondContact CA-SG 3.5Å; C86-C169 HydrophobicContact CB-CB 3.91Å; C86-C169 WeakPolarHBondContact CB-SG 3.23Å; C86-C169 WeakPolarHBondContact SG-CA 3.48Å; C86-C169 WeakPolarHBondContact SG-CB 3.36Å; C86-C169 CovalentContact SG-SG 2.04Å; C86-C169 PolarHBondContact SG-SG 3.4Å |
| 87 | Q | 88.5 | Confident | 90.3 | Very high | 159 Ų | 159 | 31.2 Ų | 31.2 | 74% | 0.743 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23.4 | 175.8 | -65.1 | 175.8 | -6.5 | 0 | 0 | 112.8 | K85 | K85-Q87 PolarHBondContact O-N 2.99Š|
| 88 | H | 89 | Confident | 89.2 | Confident | 51 Ų | 51 | 37.8 Ų | 37.8 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -3.5 | -173.9 | -57.9 | 160.1 | 0 | 0 | 0 | 113.4 | M84 K85 C86 V188 G189 V205 | M84-H88 HydrophobicContact CE-CB 3.92Å; K85-H88 PolarHBondContact O-N 3.44Å; C86-H88 VanDerWaalsContact C-N 3.31Å; H88-V188 CarbonylContact O-C 3.5Å; H88-V188 VanDerWaalsContact O-CA 3.27Å; H88-V188 WeakPolarHBondContact O-CA 3.25Å; H88-V188 WeakPolarHBondContact O-CG1 3.41Å; H88-G189 PolarHBondContact O-N 2.92Å; H88-V205 HydrophobicContact CB-CG1 4.16Å; H88-V205 HydrophobicContact CB-CG2 4.3Å |
| 89 | V | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.5 | -177 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | C169 I171 I186 | V89-C169 HydrophobicContact CG1-CB 3.74Å; V89-I171 HydrophobicContact CG1-CD1 4.43Å; V89-I171 HydrophobicContact CG2-CD1 4.15Å; V89-I186 HydrophobicContact CG2-CG2 3.35Å |
| 90 | G | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I186 T187 G189 | G90-I186 WeakPolarHBondContact O-CA 3.45Å; G90-T187 PolarHBondContact N-O 3.39Å; G90-T187 PolarHBondContact O-N 3.03Å; G90-G189 WeakPolarHBondContact CA-O 3.42Å; G90-G189 PolarHBondContact N-O 2.89Å |
| 91 | A | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | L106 Y108 I171 L184 H185 I186 | A91-L106 HydrophobicContact CB-CD1 4Å; A91-Y108 PolarHBondContact N-OH 3.19Å; A91-Y108 PolarHBondContact O-OH 3.12Å; A91-I171 HydrophobicContact CB-CD1 4.25Å; A91-I171 HydrophobicContact CB-CG2 4.03Å; A91-L184 HydrophobicContact CB-CD1 4.37Å; A91-H185 WeakPolarHBondContact CA-O 3.27Å; A91-I186 HydrophobicContact CB-CG1 4.01Å |
| 92 | D | 87.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.1 | 176.3 | -171.6 | 26.4 | 0 | 0 | 0 | 111.3 | M100 L184 H185 P191 | D92-M100 WeakPolarHBondContact OD1-CG 3.26Å; D92-M100 VanDerWaalsContact OD2-CE 3.28Å; D92-M100 WeakPolarHBondContact OD2-CE 3.46Å; D92-M100 WeakPolarHBondContact OD2-CG 3.26Å; D92-L184 CarbonylContact O-C 3.47Å; D92-L184 WeakPolarHBondContact O-CA 3.46Å; D92-H185 PolarHBondContact N-O 3.49Å; D92-H185 PolarHBondContact O-N 3.48Å; D92-H185 PolarHBondContact O-ND1 3.02Å; D92-H185 IonicContact OD2-CE1 3.3Å; D92-P191 HydrophobicContact CB-CB 4.02Å; D92-P191 HydrophobicContact CB-CG 4.18Å |
| 93 | I | 89.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.7 | -177.1 | -53.8 | 169.2 | 0 | 0 | 0 | 109.2 | I101 A175 V177 L184 Y294 | I93-I101 PolarHBondContact O-N 2.94Å; I93-A175 HydrophobicContact CD1-CB 3.59Å; I93-V177 HydrophobicContact CD1-CG1 4.31Å; I93-V177 HydrophobicContact CG2-CG1 3.82Å; I93-L184 HydrophobicContact CD1-CD1 4.28Å; I93-L184 HydrophobicContact CG1-CB 4.15Å; I93-L184 HydrophobicContact CG1-CD1 3.6Å; I93-L184 HydrophobicContact CG1-CG 4.44Å; I93-Y294 HydrophobicContact CG2-CE1 4.44Å |
| 94 | L | 87.4 | Confident | 80.9 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.8 | 177 | -60.7 | 169 | 0 | 0 | 0 | 109.1 | M100 G182 N183 H185 H198 | L94-M100 HydrophobicContact CD2-CB 4.1Å; L94-M100 HydrophobicContact CD2-CG 4.3Å; L94-G182 CarbonylContact O-C 3.24Å; L94-G182 WeakPolarHBondContact O-CA 3.44Å; L94-N183 PolarHBondContact N-O 2.95Å; L94-N183 VanDerWaalsContact N-O 3.11Å; L94-N183 PolarHBondContact O-N 2.88Å; L94-H185 VanDerWaalsContact CD1-CE1 3.43Å; L94-H185 WeakPolarHBondContact CD1-CE1 3.34Å; L94-H198 WeakPolarHBondContact CD1-CD2 3.41Å; L94-H198 VanDerWaalsContact CD2-NE2 3.34Å; L94-H198 WeakPolarHBondContact CD2-NE2 3.37Å |
| 95 | D | 85.4 | Confident | 80.4 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 175.5 | 168.8 | 66.6 | 4.2 | 0 | 0 | 0 | 111.5 | A97 E98 T99 N178 V180 | D95-A97 PolarHBondContact O-N 3.49Å; D95-A97 VanDerWaalsContact O-N 3.11Å; D95-A97 WeakPolarHBondContact OD1-CB 3.43Å; D95-A97 PolarHBondContact OD1-N 3.02Å; D95-E98 WeakPolarHBondContact O-CA 3.15Å; D95-E98 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact OD1-N 3.23Å; D95-T99 PolarHBondContact OD1-N 2.84Å; D95-T99 PolarHBondContact OD1-OG1 3.33Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å; D95-N178 PolarHBondContact OD2-ND2 3.48Å; D95-V180 HydrophobicContact CB-CG2 3.9Å |
| 96 | L | 80.4 | Confident | 80.3 | Confident | 137 Ų | 137 | 49.9 Ų | 49.9 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.5 | 177.1 | -169.4 | 120.8 | 0 | 0 | 0 | 113.3 | E98 A181 | L96-E98 PolarHBondContact O-N 3.49Å; L96-A181 WeakPolarHBondContact CB-O 3.25Å; L96-A181 HydrophobicContact CD1-CB 4.03Å; L96-A181 PolarHBondContact N-O 2.84Å |
| 97 | A | 75.2 | Confident | 80.4 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D95 T99 | D95-A97 PolarHBondContact O-N 3.49Å; D95-A97 VanDerWaalsContact O-N 3.11Å; D95-A97 WeakPolarHBondContact OD1-CB 3.43Å; D95-A97 PolarHBondContact OD1-N 3.02Å; A97-T99 HydrophobicContact CB-CG2 4.04Å; A97-T99 PolarHBondContact O-N 3.49Å |
| 98 | E | 70.4 | Confident | 80.6 | Confident | 141 Ų | 141 | 50.4 Ų | 50.4 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | trans | 53.5 | 24.9 | -174.7 | -59 | -177.6 | 170.2 | 0 | 0 | 112.4 | D95 L96 H198 | D95-E98 WeakPolarHBondContact O-CA 3.15Å; D95-E98 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact OD1-N 3.23Å; L96-E98 PolarHBondContact O-N 3.49Å; E98-H198 PolarHBondContact O-CE1 2.84Å | ||
| 99 | T | 70.7 | Confident | 80.8 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | trans | -85.2 | 120.8 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 108.3 | D95 A97 I101 | D95-T99 PolarHBondContact OD1-N 2.84Å; D95-T99 PolarHBondContact OD1-OG1 3.33Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å; A97-T99 HydrophobicContact CB-CG2 4.04Å; A97-T99 PolarHBondContact O-N 3.49Å; T99-I101 PolarHBondContact O-N 2.88Å | ||
| 100 | M | 65.8 | Low | 81 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 118.9 | 176.9 | -164.8 | -165.5 | -69.8 | 0 | 0 | 109 | D92 L94 P191 H193 H198 | D92-M100 WeakPolarHBondContact OD1-CG 3.26Å; D92-M100 VanDerWaalsContact OD2-CE 3.28Å; D92-M100 WeakPolarHBondContact OD2-CE 3.46Å; D92-M100 WeakPolarHBondContact OD2-CG 3.26Å; L94-M100 HydrophobicContact CD2-CB 4.1Å; L94-M100 HydrophobicContact CD2-CG 4.3Å; M100-P191 HydrophobicContact CE-CB 4.14Å; M100-H193 PolarHBondContact SD-CE1 2.81Å; M100-H193 PolarHBondContact SD-ND1 2.94Å; M100-H198 HydrophobicContact CE-CB 4.19Å |
| 101 | I | 68.2 | Low | 81.2 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 18% | 0.179 | 31% | 0.313 | C | S | . | . | trans | -89.9 | 115.1 | 172.6 | -57.5 | 174.7 | 0 | 0 | 0 | 106.6 | I93 T99 S103 Y176 V177 | I93-I101 PolarHBondContact O-N 2.94Å; T99-I101 PolarHBondContact O-N 2.88Å; I101-S103 PolarHBondContact O-N 3.5Å; I101-S103 VanDerWaalsContact O-N 3.08Å; I101-Y176 WeakPolarHBondContact CG2-O 3.37Å; I101-V177 HydrophobicContact CD1-CB 3.83Å; I101-V177 HydrophobicContact CD1-CG1 4.04Å | ||
| 102 | T | 62.9 | Low | 81.3 | Confident | 80 Ų | 80 | 57 Ų | 57 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | trans | -48.8 | 119.4 | -175.7 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | N104 | T102-N104 PolarHBondContact O-N 3.25Š| ||
| 103 | S | 64 | Low | 81.6 | Confident | 25 Ų | 25 | 58 Ų | 58 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | trans | -73.6 | 29.5 | 179.7 | 54 | 0 | 0 | 0 | 0 | 113.6 | I101 G105 L106 | I101-S103 PolarHBondContact O-N 3.5Å; I101-S103 VanDerWaalsContact O-N 3.08Å; S103-G105 PolarHBondContact O-N 3.09Å; S103-L106 PolarHBondContact O-N 3.41Å | ||
| 104 | N | 67.3 | Low | 81.7 | Confident | 145 Ų | 145 | 62.8 Ų | 62.8 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.8 | -174.8 | -69.7 | -9.7 | 0 | 0 | 0 | 113.7 | T102 | T102-N104 PolarHBondContact O-N 3.25Š|
| 105 | G | 82.4 | Confident | 81.9 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S103 G173 H174 | S103-G105 PolarHBondContact O-N 3.09Å; G105-G173 WeakPolarHBondContact O-CA 3.42Å; G105-H174 CarbonylContact C-O 3.5Å; G105-H174 WeakPolarHBondContact CA-O 3.5Å; G105-H174 PolarHBondContact O-N 2.96Å |
| 106 | L | 89.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.5 | 178.2 | -64.5 | 179.2 | 0 | 0 | 0 | 111.2 | V78 A91 S103 I171 | V78-L106 HydrophobicContact CB-CD2 4.22Å; A91-L106 HydrophobicContact CB-CD1 4Å; S103-L106 PolarHBondContact O-N 3.41Å; L106-I171 HydrophobicContact CB-CG2 4.47Å; L106-I171 HydrophobicContact CD1-CG2 4.46Å |
| 107 | Q | 93.1 | Very high | 82.7 | Confident | 126 Ų | 126 | 60.8 Ų | 60.8 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 147 | 178.6 | -58.8 | -175.9 | 26.3 | 0 | 0 | 110.6 | I171 H172 | Q107-I171 WeakPolarHBondContact O-CA 3.44Å; Q107-H172 PolarHBondContact N-O 3.27Å; Q107-H172 PolarHBondContact O-N 2.96Å |
| 108 | Y | 93.5 | Very high | 83.3 | Confident | 68 Ų | 68 | 62 Ų | 62 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.3 | -178.2 | -64.3 | -101.2 | 0 | 0 | 0 | 108.9 | A91 R170 I171 | A91-Y108 PolarHBondContact N-OH 3.19Å; A91-Y108 PolarHBondContact O-OH 3.12Å; Y108-R170 WeakPolarHBondContact CA-O 3.2Å; Y108-I171 HydrophobicContact CD1-CD1 4.31Å; Y108-I171 HydrophobicContact CD1-CG1 3.85Å; Y108-I171 HydrophobicContact CE1-CD1 3.9Å; Y108-I171 HydrophobicContact CE1-CG1 3.88Å; Y108-I171 HydrophobicContact CE1-CG2 4.3Å |
| 109 | E | 93.9 | Very high | 84.3 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.9 | -178.8 | -175.5 | -176.7 | -169.5 | 0 | 0 | 110 | C86 V111 R170 H172 | C86-E109 VanDerWaalsContact SG-C 3.52Å; C86-E109 PolarHBondContact SG-O 3.04Å; E109-V111 HydrophobicContact CB-CG1 4.49Å; E109-V111 HydrophobicContact CG-CG1 4.04Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-R170 HydrophobicContact CB-CB 4.31Å; E109-R170 PolarHBondContact N-O 3.38Å; E109-R170 PolarHBondContact O-N 3.36Å; E109-R170 IonicContact OE2-NH1 2.57Å; E109-R170 PolarHBondContact OE2-NH1 3.36Å; E109-H172 IonicContact OE2-CE1 3.48Å |
| 110 | P | 94.8 | Very high | 85.3 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.4 | 176.5 | 30.5 | -33.3 | 0 | 0 | 0 | 110 | L166 | P110-L166 HydrophobicContact CB-CB 4.24Å; P110-L166 HydrophobicContact CB-CD1 3.9Å; P110-L166 HydrophobicContact CG-CD1 4.1Å |
| 111 | V | 93.1 | Very high | 86.5 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 171.1 | -174.9 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | T81 E109 N167 A168 R170 | T81-V111 HydrophobicContact CG2-CG2 3.67Å; E109-V111 HydrophobicContact CB-CG1 4.49Å; E109-V111 HydrophobicContact CG-CG1 4.04Å; E109-V111 PolarHBondContact O-N 2.96Å; V111-N167 PolarHBondContact O-N 2.91Å; V111-A168 HydrophobicContact CG2-CB 3.96Å; V111-A168 PolarHBondContact N-O 3.39Å; V111-A168 CarbonylContact O-C 3.49Å; V111-A168 WeakPolarHBondContact O-CA 3.44Å; V111-A168 WeakPolarHBondContact O-CB 3.4Å; V111-A168 PolarHBondContact O-N 2.86Å; V111-R170 HydrophobicContact CG1-CB 3.85Å; V111-R170 HydrophobicContact CG2-CB 3.84Å |
| 112 | I | 93 | Very high | 87.5 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | trans | -87.8 | 132.7 | 168.3 | -60.2 | 172.8 | 0 | 0 | 0 | 108.1 | E114 P162 E164 L166 | I112-E114 HydrophobicContact CG2-CB 4.29Å; I112-P162 HydrophobicContact CD1-CB 3.64Å; I112-E164 HydrophobicContact CD1-CB 4.27Å; I112-L166 HydrophobicContact CG1-CD2 4.01Å | ||
| 113 | F | 92.5 | Very high | 88.8 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -63.1 | -44.3 | 179.5 | -170.8 | -107.1 | 0 | 0 | 0 | 112.1 | T81 A83 N167 A168 R215 I238 | T81-F113 HydrophobicContact CG2-CD2 4.21Å; A83-F113 HydrophobicContact CB-CD1 4.47Å; A83-F113 HydrophobicContact CB-CD2 3.65Å; A83-F113 HydrophobicContact CB-CE2 3.9Å; A83-F113 HydrophobicContact CB-CG 3.96Å; A83-F113 HydrophobicContact CB-CZ 4.42Å; F113-N167 PolarHBondContact N-OD1 2.89Å; F113-A168 HydrophobicContact CB-CB 3.81Å; F113-A168 HydrophobicContact CD2-CB 4.15Å; F113-A168 HydrophobicContact CG-CB 4.49Å; F113-R215 PolarHBondContact O-NH1 3.43Å; F113-I238 HydrophobicContact CE1-CD1 3.48Å; F113-I238 VanDerWaalsContact CE1-CD1 3.48Å; F113-I238 HydrophobicContact CZ-CD1 3.76Å |
| 114 | E | 91.6 | Very high | 90 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.9 | 130.4 | -178.2 | -61.2 | -157.7 | 170.6 | 0 | 0 | 112.8 | I112 R158 | I112-E114 HydrophobicContact CG2-CB 4.29Å; E114-R158 PolarHBondContact O-NH1 3.18Å |
| 115 | L | 91.4 | Very high | 91 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 144.4 | 175.8 | -70.1 | 178 | 0 | 0 | 0 | 112.2 | Q119 R120 Q123 L155 R215 | L115-Q119 HydrophobicContact CB-CB 3.98Å; L115-Q119 HydrophobicContact CD2-CB 3.88Å; L115-Q119 HydrophobicContact CG-CB 4.34Å; L115-R120 HydrophobicContact CB-CG 3.62Å; L115-R120 HydrophobicContact CD1-CG 4.32Å; L115-Q123 HydrophobicContact CD1-CB 4.27Å; L115-Q123 HydrophobicContact CD1-CG 4.47Å; L115-L155 HydrophobicContact CD2-CD1 4.36Å; L115-L155 HydrophobicContact CD2-CD2 4.42Å; L115-R215 VanDerWaalsContact CD2-NH1 3.26Å |
| 116 | S | 91.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 160.2 | 168.3 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | Q118 Q119 R120 D160 | S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 3.3Å; S116-Q119 VanDerWaalsContact N-OE1 3.09Å; S116-Q119 PolarHBondContact O-N 3.11Å; S116-Q119 VanDerWaalsContact O-N 3.13Å; S116-Q119 WeakPolarHBondContact OG-CB 3.29Å; S116-Q119 VanDerWaalsContact OG-CD 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.46Å; S116-Q119 PolarHBondContact OG-N 3.32Å; S116-Q119 PolarHBondContact OG-OE1 3.12Å; S116-R120 PolarHBondContact O-N 2.79Å; S116-D160 WeakPolarHBondContact CB-OD2 3.49Å |
| 117 | P | 91.3 | Very high | 91 | Very high | 105 Ų | 105 | 64.4 Ų | 64.4 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.1 | -39.6 | 178 | -27.3 | 35.6 | 0 | 0 | 0 | 113.7 | R120 L121 | P117-R120 PolarHBondContact O-N 3.21Å; P117-L121 PolarHBondContact O-N 2.66Å |
| 118 | Q | 89.6 | Confident | 90.7 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 177 | -177.8 | -179.7 | -5.2 | 0 | 0 | 112 | S116 R120 L121 W122 | S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 3.3Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.49Å; Q118-L121 WeakPolarHBondContact O-CB 3.27Å; Q118-L121 PolarHBondContact O-N 2.93Å; Q118-W122 PolarHBondContact O-N 3.44Å |
| 119 | Q | 90.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.5 | -73.2 | 170 | -39.6 | 0 | 0 | 111.9 | L115 S116 L121 W122 Q123 L155 P156 | L115-Q119 HydrophobicContact CB-CB 3.98Å; L115-Q119 HydrophobicContact CD2-CB 3.88Å; L115-Q119 HydrophobicContact CG-CB 4.34Å; S116-Q119 VanDerWaalsContact N-OE1 3.09Å; S116-Q119 PolarHBondContact O-N 3.11Å; S116-Q119 VanDerWaalsContact O-N 3.13Å; S116-Q119 WeakPolarHBondContact OG-CB 3.29Å; S116-Q119 VanDerWaalsContact OG-CD 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.46Å; S116-Q119 PolarHBondContact OG-N 3.32Å; S116-Q119 PolarHBondContact OG-OE1 3.12Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-W122 PolarHBondContact O-N 2.9Å; Q119-Q123 WeakPolarHBondContact O-CB 3.49Å; Q119-Q123 PolarHBondContact O-N 3.04Å; Q119-L155 HydrophobicContact CB-CD1 4.04Å; Q119-L155 HydrophobicContact CG-CD1 4Å; Q119-L155 HydrophobicContact CG-CG 4.35Å; Q119-P156 HydrophobicContact CG-CG 4.12Å; Q119-P156 PolarHBondContact NE2-O 2.77Å |
| 120 | R | 91.7 | Very high | 89.5 | Confident | 106 Ų | 106 | 62 Ų | 62 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 172.7 | -79.9 | -160.7 | 172.2 | 163 | 3.6 | 112.2 | L115 S116 P117 Q118 Q123 R124 | L115-R120 HydrophobicContact CB-CG 3.62Å; L115-R120 HydrophobicContact CD1-CG 4.32Å; S116-R120 PolarHBondContact O-N 2.79Å; P117-R120 PolarHBondContact O-N 3.21Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.49Å; R120-Q123 PolarHBondContact O-N 3.17Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.36Å |
| 121 | L | 91.1 | Very high | 89 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 59% | 0.586 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.9 | -47.8 | 175.5 | -178.1 | 66.2 | 0 | 0 | 0 | 110.7 | P117 Q118 Q119 Q123 R124 T125 | P117-L121 PolarHBondContact O-N 2.66Å; Q118-L121 WeakPolarHBondContact O-CB 3.27Å; Q118-L121 PolarHBondContact O-N 2.93Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.39Å; L121-R124 PolarHBondContact O-N 3.25Å; L121-T125 PolarHBondContact O-N 2.75Å; L121-T125 PolarHBondContact O-OG1 2.84Å; L121-T125 VanDerWaalsContact O-OG1 3.04Å |
| 122 | W | 88 | Confident | 88.5 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.4 | -48 | 175.8 | 175.1 | 90.7 | 0 | 0 | 0 | 111.9 | Q118 Q119 R124 T125 L126 T153 A154 L155 P156 | Q118-W122 PolarHBondContact O-N 3.44Å; Q119-W122 PolarHBondContact O-N 2.9Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 2.68Å; W122-T125 WeakPolarHBondContact O-CB 3.4Å; W122-T125 PolarHBondContact O-N 3Å; W122-T125 VanDerWaalsContact O-N 3.17Å; W122-L126 HydrophobicContact CH2-CD2 3.59Å; W122-L126 HydrophobicContact CZ2-CD2 3.94Å; W122-L126 HydrophobicContact CZ3-CD2 4.11Å; W122-L126 PolarHBondContact O-N 3.38Å; W122-T153 VanDerWaalsContact CZ2-O 3.27Å; W122-T153 WeakPolarHBondContact CZ2-O 3.41Å; W122-A154 VanDerWaalsContact CZ2-C 3.44Å; W122-A154 WeakPolarHBondContact CZ2-O 3.36Å; W122-A154 PolarHBondContact NE1-O 3.21Å; W122-L155 HydrophobicContact CD2-CD1 4.23Å; W122-L155 HydrophobicContact CE3-CB 4.46Å; W122-L155 HydrophobicContact CE3-CD1 3.38Å; W122-L155 HydrophobicContact CE3-CG 4.49Å; W122-L155 HydrophobicContact CH2-CB 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CB 3.99Å; W122-L155 HydrophobicContact CZ3-CD1 3.43Å; W122-L155 VanDerWaalsContact CZ3-CD1 3.43Å; W122-L155 HydrophobicContact CZ3-CG 4.33Å; W122-P156 HydrophobicContact CB-CG 4.18Å; W122-P156 HydrophobicContact CG-CG 4.18Å |
| 123 | Q | 90.3 | Very high | 87.6 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 180 | -170.5 | -173.3 | 35.5 | 0 | 0 | 112.1 | L115 Q119 R120 L121 L126 R127 G234 | L115-Q123 HydrophobicContact CD1-CB 4.27Å; L115-Q123 HydrophobicContact CD1-CG 4.47Å; Q119-Q123 WeakPolarHBondContact O-CB 3.49Å; Q119-Q123 PolarHBondContact O-N 3.04Å; R120-Q123 PolarHBondContact O-N 3.17Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.39Å; Q123-L126 PolarHBondContact O-N 3.42Å; Q123-R127 WeakPolarHBondContact O-CG 3.35Å; Q123-R127 PolarHBondContact O-N 3.42Å; Q123-G234 WeakPolarHBondContact CG-O 3.42Å; Q123-G234 PolarHBondContact NE2-O 3.24Å |
| 124 | R | 90.8 | Very high | 86.6 | Confident | 170 Ų | 170 | 75.5 Ų | 75.5 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.1 | -75.8 | 176 | -177.5 | 172.2 | 0.9 | 111.7 | R120 L121 W122 R127 L128 | R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.36Å; L121-R124 PolarHBondContact O-N 3.25Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 2.68Å; R124-R127 PolarHBondContact O-N 3.08Å; R124-L128 PolarHBondContact O-N 3.13Å |
| 125 | T | 87.9 | Confident | 85.8 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L121 W122 R127 L128 L129 | L121-T125 PolarHBondContact O-N 2.75Å; L121-T125 PolarHBondContact O-OG1 2.84Å; L121-T125 VanDerWaalsContact O-OG1 3.04Å; W122-T125 WeakPolarHBondContact O-CB 3.4Å; W122-T125 PolarHBondContact O-N 3Å; W122-T125 VanDerWaalsContact O-N 3.17Å; T125-R127 PolarHBondContact O-N 2.98Å; T125-L128 PolarHBondContact O-N 3.3Å; T125-L129 HydrophobicContact CG2-CD1 4.39Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.23Å |
| 126 | L | 85.7 | Confident | 84.6 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 178.3 | -170 | 71.3 | 0 | 0 | 0 | 111.6 | W122 Q123 L128 L129 Q130 I229 D233 | W122-L126 HydrophobicContact CH2-CD2 3.59Å; W122-L126 HydrophobicContact CZ2-CD2 3.94Å; W122-L126 HydrophobicContact CZ3-CD2 4.11Å; W122-L126 PolarHBondContact O-N 3.38Å; Q123-L126 PolarHBondContact O-N 3.42Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.21Å; L126-L129 PolarHBondContact O-N 3.02Å; L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 PolarHBondContact O-N 3.18Å; L126-I229 HydrophobicContact CD1-CD1 4.08Å; L126-I229 HydrophobicContact CD1-CG1 4.38Å; L126-I229 HydrophobicContact CD1-CG2 4.01Å; L126-D233 HydrophobicContact CD2-CB 4.02Å |
| 127 | R | 85.8 | Confident | 83.1 | Confident | 90 Ų | 90 | 88.5 Ų | 88.5 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176.5 | -73.7 | -178.7 | -175 | 162.4 | 2.5 | 112.9 | Q123 R124 T125 Q130 S131 G234 E236 | Q123-R127 WeakPolarHBondContact O-CG 3.35Å; Q123-R127 PolarHBondContact O-N 3.42Å; R124-R127 PolarHBondContact O-N 3.08Å; T125-R127 PolarHBondContact O-N 2.98Å; R127-Q130 PolarHBondContact O-N 3.5Å; R127-S131 PolarHBondContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.36Å; R127-G234 PolarHBondContact NE-O 3.2Å; R127-G234 PolarHBondContact NH2-O 3.33Å; R127-E236 IonicContact NH2-OE2 3.41Å |
| 128 | L | 86.5 | Confident | 81.4 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 176.5 | 179.8 | 67.1 | 0 | 0 | 0 | 111.4 | R124 T125 L126 Q130 S131 R132 | R124-L128 PolarHBondContact O-N 3.13Å; T125-L128 PolarHBondContact O-N 3.3Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.21Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.38Å; L128-R132 PolarHBondContact O-N 2.95Å |
| 129 | L | 82.7 | Confident | 79.9 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.1 | -71.6 | 172.4 | 0 | 0 | 0 | 110.6 | T125 L126 S131 R132 L133 | T125-L129 HydrophobicContact CG2-CD1 4.39Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.23Å; L126-L129 PolarHBondContact O-N 3.02Å; L129-S131 PolarHBondContact O-N 3.02Å; L129-R132 PolarHBondContact O-N 2.89Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.76Å |
| 130 | Q | 80.9 | Confident | 78.4 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 179.5 | -166.5 | -171.6 | -20.4 | 0 | 0 | 112.7 | L126 R127 L128 R132 L133 R134 P231 | L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 PolarHBondContact O-N 3.18Å; R127-Q130 PolarHBondContact O-N 3.5Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 3.17Å; Q130-L133 PolarHBondContact O-N 2.85Å; Q130-R134 PolarHBondContact O-N 3.02Å; Q130-R134 VanDerWaalsContact O-N 3.09Å; Q130-P231 VanDerWaalsContact NE2-C 3.29Å; Q130-P231 PolarHBondContact NE2-O 3.05Å |
| 131 | S | 82.8 | Confident | 77 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 176.4 | 61.3 | 0 | 0 | 0 | 0 | 112 | R127 L128 L129 R134 E135 | R127-S131 PolarHBondContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.36Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 3.44Å; L129-S131 PolarHBondContact O-N 3.02Å; S131-R134 PolarHBondContact O-N 3.47Å; S131-E135 PolarHBondContact O-N 2.88Å |
| 132 | R | 82.1 | Confident | 75.4 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 53% | 0.525 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 177.3 | -68.2 | -56.9 | -168.5 | -177.6 | 5.5 | 112.7 | L128 L129 Q130 R134 E135 E136 | L128-R132 WeakPolarHBondContact O-CG 3.38Å; L128-R132 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 2.89Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 3.17Å; R132-R134 PolarHBondContact O-N 3.39Å; R132-E135 IonicContact CZ-OE2 3.95Å; R132-E135 IonicContact NH1-OE2 3.65Å; R132-E135 PolarHBondContact NH1-OE2 3.29Å; R132-E135 PolarHBondContact O-N 3.02Å; R132-E136 PolarHBondContact O-N 3.14Å |
| 133 | L | 75.3 | Confident | 73.9 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.7 | -34 | 175.4 | -73.8 | 164.7 | 0 | 0 | 0 | 112.5 | L129 Q130 E136 L139 L143 I229 | L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.76Å; Q130-L133 PolarHBondContact O-N 2.85Å; L133-E136 CarbonylContact O-C 3.53Å; L133-L139 HydrophobicContact CD2-CB 3.9Å; L133-L143 HydrophobicContact CD1-CD2 3.57Å; L133-L143 HydrophobicContact CD2-CB 4.46Å; L133-L143 HydrophobicContact CD2-CD1 4.15Å; L133-L143 HydrophobicContact CD2-CD2 3.84Å; L133-L143 HydrophobicContact CD2-CG 4.37Å; L133-L143 HydrophobicContact CG-CD2 4.29Å; L133-I229 HydrophobicContact CD1-CD1 4.22Å |
| 134 | R | 71.3 | Confident | 72.5 | Confident | 203 Ų | 203 | 85.5 Ų | 85.5 | 77% | 0.766 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -72.1 | -32.5 | 177.3 | -168 | 175.7 | -175.8 | 163.3 | 3.1 | 113.1 | Q130 S131 R132 | Q130-R134 PolarHBondContact O-N 3.02Å; Q130-R134 VanDerWaalsContact O-N 3.09Å; S131-R134 PolarHBondContact O-N 3.47Å; R132-R134 PolarHBondContact O-N 3.39Å |
| 135 | E | 74.4 | Confident | 71.1 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.7 | -41 | 176 | -72.1 | 178.8 | 163.4 | 0 | 0 | 111.4 | S131 R132 | S131-E135 PolarHBondContact O-N 2.88Å; R132-E135 IonicContact CZ-OE2 3.95Å; R132-E135 IonicContact NH1-OE2 3.65Å; R132-E135 PolarHBondContact NH1-OE2 3.29Å; R132-E135 PolarHBondContact O-N 3.02Å |
| 136 | E | 66.9 | Low | 69.7 | Low | 111 Ų | 111 | 81.4 Ų | 81.4 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | trans | -118.5 | 85.3 | -171.3 | -69.5 | -87.5 | 167.8 | 0 | 0 | 110.1 | R132 L133 A138 L139 | R132-E136 PolarHBondContact O-N 3.14Å; L133-E136 CarbonylContact O-C 3.53Å; E136-A138 PolarHBondContact O-N 3.35Å; E136-L139 HydrophobicContact CB-CB 4.39Å; E136-L139 HydrophobicContact CB-CD1 3.57Å; E136-L139 HydrophobicContact CB-CG 3.67Å; E136-L139 HydrophobicContact CG-CD1 4.21Å; E136-L139 WeakPolarHBondContact O-CB 3.38Å; E136-L139 PolarHBondContact O-N 3.4Å | ||
| 137 | H | 59.6 | Low | 68.2 | Low | 157 Ų | 157 | 82 Ų | 82 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.2 | 177.6 | -74 | -94.6 | 0 | 0 | 0 | 113.4 | L139 Q140 | H137-L139 VanDerWaalsContact C-N 3.25Å; H137-L139 PolarHBondContact O-N 3.09Å; H137-Q140 PolarHBondContact O-N 3.44Å |
| 138 | A | 56.6 | Low | 66.8 | Low | 67 Ų | 67 | 80.4 Ų | 80.4 | 55% | 0.554 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E136 Q140 | E136-A138 PolarHBondContact O-N 3.35Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.33Å |
| 139 | L | 56.8 | Low | 65.3 | Low | 65 Ų | 65 | 84 Ų | 84 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.6 | -20 | 179.4 | -71 | 177.5 | 0 | 0 | 0 | 113.1 | L133 E136 H137 E141 V142 L143 | L133-L139 HydrophobicContact CD2-CB 3.9Å; E136-L139 HydrophobicContact CB-CB 4.39Å; E136-L139 HydrophobicContact CB-CD1 3.57Å; E136-L139 HydrophobicContact CB-CG 3.67Å; E136-L139 HydrophobicContact CG-CD1 4.21Å; E136-L139 WeakPolarHBondContact O-CB 3.38Å; E136-L139 PolarHBondContact O-N 3.4Å; H137-L139 VanDerWaalsContact C-N 3.25Å; H137-L139 PolarHBondContact O-N 3.09Å; L139-E141 PolarHBondContact O-N 3.48Å; L139-V142 PolarHBondContact O-N 2.68Å; L139-V142 VanDerWaalsContact O-N 3.16Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 PolarHBondContact O-N 3.05Å |
| 140 | Q | 59.7 | Low | 63.8 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.5 | -38.4 | 178.3 | -159.7 | 117 | -31 | 0 | 0 | 110.9 | H137 A138 L143 Y144 | H137-Q140 PolarHBondContact O-N 3.44Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.33Å; Q140-L143 PolarHBondContact O-N 3.4Å; Q140-Y144 HydrophobicContact CG-CD2 4.17Å; Q140-Y144 HydrophobicContact CG-CE2 4.07Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.47Å; Q140-Y144 PolarHBondContact O-N 3.04Å |
| 141 | E | 60.9 | Low | 62.7 | Low | 84 Ų | 84 | 84 Ų | 84 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 178 | -65.5 | -175.8 | -179.9 | 0 | 0 | 112.8 | M60 Y62 L139 L143 K145 | M60-E141 HydrophobicContact CB-CG 4.47Å; Y62-E141 HydrophobicContact CE2-CG 4.05Å; Y62-E141 WeakPolarHBondContact CE2-OE1 3.04Å; L139-E141 PolarHBondContact O-N 3.48Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-K145 PolarHBondContact O-N 3.43Å |
| 142 | V | 57.7 | Low | 61.6 | Low | 86 Ų | 86 | 86.5 Ų | 86.5 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 177.1 | -179 | 0 | 0 | 0 | 0 | 110.6 | L139 K145 T146 | L139-V142 PolarHBondContact O-N 2.68Å; L139-V142 VanDerWaalsContact O-N 3.16Å; V142-K145 PolarHBondContact O-N 3.25Å; V142-T146 WeakPolarHBondContact O-CB 3.47Å; V142-T146 PolarHBondContact O-N 2.92Å; V142-T146 VanDerWaalsContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å |
| 143 | L | 58 | Low | 61.1 | Low | 37 Ų | 37 | 81.3 Ų | 81.3 | 19% | 0.194 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 179.9 | -134.8 | 82.7 | 0 | 0 | 0 | 111.7 | L133 L139 Q140 E141 K145 T146 L147 I229 | L133-L143 HydrophobicContact CD1-CD2 3.57Å; L133-L143 HydrophobicContact CD2-CB 4.46Å; L133-L143 HydrophobicContact CD2-CD1 4.15Å; L133-L143 HydrophobicContact CD2-CD2 3.84Å; L133-L143 HydrophobicContact CD2-CG 4.37Å; L133-L143 HydrophobicContact CG-CD2 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 PolarHBondContact O-N 3.05Å; Q140-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact C-N 3.32Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 VanDerWaalsContact O-N 3.14Å; L143-L147 HydrophobicContact CB-CD1 4.26Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.22Å; L143-L147 HydrophobicContact CD2-CG 4.32Å; L143-L147 HydrophobicContact CG-CD1 3.34Å; L143-L147 HydrophobicContact CG-CG 3.95Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-I229 HydrophobicContact CD2-CD1 3.9Å; L143-I229 HydrophobicContact CD2-CG1 4.4Å |
| 144 | Y | 61 | Low | 61.2 | Low | 13 Ų | 13 | 83.6 Ų | 83.6 | 5% | 0.051 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 174.8 | -95.9 | -81.6 | 0 | 0 | 0 | 111.1 | Q140 T146 L148 I228 L257 | Q140-Y144 HydrophobicContact CG-CD2 4.17Å; Q140-Y144 HydrophobicContact CG-CE2 4.07Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.47Å; Q140-Y144 PolarHBondContact O-N 3.04Å; Y144-T146 VanDerWaalsContact C-N 3.34Å; Y144-T146 PolarHBondContact O-N 3.32Å; Y144-L148 VanDerWaalsContact O-CB 3.26Å; Y144-L148 WeakPolarHBondContact O-CB 3.37Å; Y144-L148 VanDerWaalsContact O-CD1 3.22Å; Y144-L148 WeakPolarHBondContact O-CD1 3.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.22Å; Y144-L148 PolarHBondContact O-N 3.48Å; Y144-I228 HydrophobicContact CE1-CD1 4.46Å; Y144-I228 HydrophobicContact CE1-CG1 4.18Å; Y144-I228 WeakPolarHBondContact OH-CD1 3.18Å; Y144-L257 HydrophobicContact CD1-CD1 4.4Å; Y144-L257 HydrophobicContact CE1-CD1 3.93Å; Y144-L257 HydrophobicContact CE1-CD2 4.39Å |
| 145 | K | 60.2 | Low | 61.8 | Low | 69 Ų | 69 | 75.8 Ų | 75.8 | 30% | 0.3 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.9 | -28.6 | 178.6 | -78.9 | -175.8 | 174.5 | 179.9 | 0 | 114.5 | D57 T58 E141 V142 L143 | D57-K145 IonicContact OD1-NZ 2.9Å; D57-K145 PolarHBondContact OD1-NZ 2.99Å; D57-K145 IonicContact OD2-NZ 2.66Å; T58-K145 WeakPolarHBondContact O-CE 3.26Å; T58-K145 PolarHBondContact O-NZ 2.9Å; E141-K145 PolarHBondContact O-N 3.43Å; V142-K145 PolarHBondContact O-N 3.25Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å |
| 146 | T | 58.3 | Low | 62.3 | Low | 87 Ų | 87 | 70.8 Ų | 70.8 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -96.4 | -39.8 | -173.6 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | V142 L143 Y144 K149 | V142-T146 WeakPolarHBondContact O-CB 3.47Å; V142-T146 PolarHBondContact O-N 2.92Å; V142-T146 VanDerWaalsContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 VanDerWaalsContact O-N 3.14Å; Y144-T146 VanDerWaalsContact C-N 3.34Å; Y144-T146 PolarHBondContact O-N 3.32Å; T146-K149 WeakPolarHBondContact O-CB 3.44Å; T146-K149 PolarHBondContact O-N 2.98Å |
| 147 | L | 55.7 | Low | 63.2 | Low | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.12 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -75.8 | -29.5 | 179.5 | -76.6 | 172 | 0 | 0 | 0 | 113 | L143 K149 G150 A151 T153 G227 I229 | L143-L147 HydrophobicContact CB-CD1 4.26Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.22Å; L143-L147 HydrophobicContact CD2-CG 4.32Å; L143-L147 HydrophobicContact CG-CD1 3.34Å; L143-L147 HydrophobicContact CG-CG 3.95Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 PolarHBondContact O-N 3.16Å; L147-K149 PolarHBondContact O-N 2.89Å; L147-G150 PolarHBondContact O-N 3.38Å; L147-A151 HydrophobicContact CD2-CB 3.92Å; L147-T153 HydrophobicContact CD2-CG2 4.41Å; L147-G227 WeakPolarHBondContact CD1-O 3.39Å; L147-I229 HydrophobicContact CD1-CD1 4.07Å; L147-I229 HydrophobicContact CD1-CG1 4.16Å |
| 148 | L | 55.6 | Low | 64.3 | Low | 56 Ų | 56 | 67.7 Ų | 67.7 | 29% | 0.293 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.5 | 168.1 | -75.2 | 171.7 | 0 | 0 | 0 | 112.7 | Y144 V225 P226 I262 | Y144-L148 VanDerWaalsContact O-CB 3.26Å; Y144-L148 WeakPolarHBondContact O-CB 3.37Å; Y144-L148 VanDerWaalsContact O-CD1 3.22Å; Y144-L148 WeakPolarHBondContact O-CD1 3.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.22Å; Y144-L148 PolarHBondContact O-N 3.48Å; L148-V225 HydrophobicContact CD2-CG1 4.34Å; L148-P226 HydrophobicContact CD2-CG 4.34Å; L148-P226 WeakPolarHBondContact CD2-O 3.32Å; L148-I262 HydrophobicContact CD2-CD1 3.73Å |
| 149 | K | 56 | Low | 65.4 | Low | 183 Ų | 183 | 71.7 Ų | 71.7 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 10.8 | 174 | -63.4 | 179.1 | -179.9 | 173.4 | 0 | 114.4 | T146 L147 | T146-K149 WeakPolarHBondContact O-CB 3.44Å; T146-K149 PolarHBondContact O-N 2.98Å; L147-K149 PolarHBondContact O-N 2.89Å |
| 150 | G | 49.8 | Very low | 66.4 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.5 | 30.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118 | L147 P152 | L147-G150 PolarHBondContact O-N 3.38Å; G150-P152 WeakPolarHBondContact O-CD 3.41Å |
| 151 | A | 57.5 | Low | 67.1 | Low | 55 Ų | 55 | 72.9 Ų | 72.9 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -85.3 | 120.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L147 T153 | L147-A151 HydrophobicContact CD2-CB 3.92Å; A151-T153 PolarHBondContact O-N 3.15Å | ||
| 152 | P | 60.9 | Low | 67.8 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 70% | 0.695 | 43% | 0.432 | S | S | * | . | trans | -67.5 | 120.2 | 177 | 25.3 | -30.6 | 0 | 0 | 0 | 110 | G150 A154 | G150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-A154 PolarHBondContact O-N 3.03Å | ||
| 153 | T | 70 | Confident | 68.7 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | trans | -80.5 | 1.6 | 169.8 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | W122 L147 A151 I229 | W122-T153 VanDerWaalsContact CZ2-O 3.27Å; W122-T153 WeakPolarHBondContact CZ2-O 3.41Å; L147-T153 HydrophobicContact CD2-CG2 4.41Å; A151-T153 PolarHBondContact O-N 3.15Å; T153-I229 HydrophobicContact CG2-CG1 3.88Å | ||
| 154 | A | 78.5 | Confident | 69.8 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -84.5 | 147.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W122 P152 | W122-A154 VanDerWaalsContact CZ2-C 3.44Å; W122-A154 WeakPolarHBondContact CZ2-O 3.36Å; W122-A154 PolarHBondContact NE1-O 3.21Å; P152-A154 PolarHBondContact O-N 3.03Å |
| 155 | L | 83.6 | Confident | 71 | Confident | 38 Ų | 38 | 84 Ų | 84 | 20% | 0.199 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 127.5 | 172.2 | -178.4 | 75.7 | 0 | 0 | 0 | 109.5 | L115 Q119 W122 | L115-L155 HydrophobicContact CD2-CD1 4.36Å; L115-L155 HydrophobicContact CD2-CD2 4.42Å; Q119-L155 HydrophobicContact CB-CD1 4.04Å; Q119-L155 HydrophobicContact CG-CD1 4Å; Q119-L155 HydrophobicContact CG-CG 4.35Å; W122-L155 HydrophobicContact CD2-CD1 4.23Å; W122-L155 HydrophobicContact CE3-CB 4.46Å; W122-L155 HydrophobicContact CE3-CD1 3.38Å; W122-L155 HydrophobicContact CE3-CG 4.49Å; W122-L155 HydrophobicContact CH2-CB 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CB 3.99Å; W122-L155 HydrophobicContact CZ3-CD1 3.43Å; W122-L155 VanDerWaalsContact CZ3-CD1 3.43Å; W122-L155 HydrophobicContact CZ3-CG 4.33Å |
| 156 | P | 84.6 | Confident | 72.5 | Confident | 25 Ų | 25 | 84.5 Ų | 84.5 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 146.2 | 176.6 | 23.8 | -33 | 0 | 0 | 0 | 111.3 | Q119 W122 | Q119-P156 HydrophobicContact CG-CG 4.12Å; Q119-P156 PolarHBondContact NE2-O 2.77Å; W122-P156 HydrophobicContact CB-CG 4.18Å; W122-P156 HydrophobicContact CG-CG 4.18Å |
| 157 | P | 85.4 | Confident | 74 | Confident | 109 Ų | 109 | 83.5 Ų | 83.5 | 71% | 0.708 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 149.7 | 177 | 27.8 | -34.4 | 0 | 0 | 0 | 110.3 | E159 | P157-E159 PolarHBondContact O-N 3.4Š|
| 158 | R | 83.5 | Confident | 75.9 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 125.2 | 176.8 | -171.8 | 179.1 | -173.4 | 125.6 | 1.4 | 109.3 | E114 D160 | E114-R158 PolarHBondContact O-NH1 3.18Å; R158-D160 HydrophobicContact CG-CB 4.47Å |
| 159 | E | 78.8 | Confident | 77.7 | Confident | 151 Ų | 151 | 79.8 Ų | 79.8 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | trans | -88 | -26.3 | 177 | -62.3 | -177.6 | -179.7 | 0 | 0 | 112.3 | P157 | P157-E159 PolarHBondContact O-N 3.4Š| ||
| 160 | D | 78.8 | Confident | 79.6 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 46% | 0.46 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -79.3 | 136.3 | -175.8 | -57.7 | -42.7 | 0 | 0 | 0 | 112.8 | S116 R158 | S116-D160 WeakPolarHBondContact CB-OD2 3.49Å; R158-D160 HydrophobicContact CG-CB 4.47Å |
| 161 | A | 75.1 | Confident | 81.8 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | trans | -63.5 | 146 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N163 | A161-N163 PolarHBondContact O-N 3.19Š| ||
| 162 | P | 75.8 | Confident | 83.6 | Confident | 88 Ų | 88 | 71 Ų | 71 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | trans | -69 | 101.5 | 178.6 | 26.4 | -31.9 | 0 | 0 | 0 | 110.5 | I112 E164 | I112-P162 HydrophobicContact CD1-CB 3.64Å; P162-E164 VanDerWaalsContact C-N 3.27Å | ||
| 163 | N | 76.4 | Confident | 85.1 | Confident | 161 Ų | 161 | 66.9 Ų | 66.9 | 86% | 0.861 | 38% | 0.379 | S | S | * | . | trans | -78.8 | -14.7 | 170.4 | -75.2 | -15 | 0 | 0 | 0 | 112.5 | A161 | A161-N163 PolarHBondContact O-N 3.19Š| ||
| 164 | E | 80.3 | Confident | 86.2 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -118.3 | 154 | -175.8 | -69.5 | -176.6 | 178.6 | 0 | 0 | 111.1 | I112 P162 | I112-E164 HydrophobicContact CD1-CB 4.27Å; P162-E164 VanDerWaalsContact C-N 3.27Å |
| 165 | P | 86.1 | Confident | 86.8 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 71% | 0.708 | 36% | 0.364 | S | S | * | . | trans | -63.2 | 140.8 | 175.3 | 27.4 | -34.8 | 0 | 0 | 0 | 111.2 | N167 | P165-N167 PolarHBondContact O-N 3.45Š| ||
| 166 | L | 90.8 | Very high | 87.2 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | trans | -62.2 | 102.2 | 174.9 | -54.9 | 171.7 | 0 | 0 | 0 | 109.4 | P110 I112 | P110-L166 HydrophobicContact CB-CB 4.24Å; P110-L166 HydrophobicContact CB-CD1 3.9Å; P110-L166 HydrophobicContact CG-CD1 4.1Å; I112-L166 HydrophobicContact CG1-CD2 4.01Å | ||
| 167 | N | 91.1 | Very high | 87.4 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | trans | -108 | -1.3 | -172.8 | 62.9 | -7.5 | 0 | 0 | 0 | 113.4 | A83 M84 V111 F113 P165 | A83-N167 CarbonylContact C-O 3.58Å; M84-N167 CarbonylContact C-O 3.56Å; M84-N167 PolarHBondContact N-O 3.09Å; V111-N167 PolarHBondContact O-N 2.91Å; F113-N167 PolarHBondContact N-OD1 2.89Å; P165-N167 PolarHBondContact O-N 3.45Å | ||
| 168 | A | 94.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 167.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T81 V82 M84 V111 F113 | T81-A168 HydrophobicContact CG2-CB 3.9Å; V82-A168 CarbonylContact O-C 3.56Å; V82-A168 WeakPolarHBondContact O-CA 3.38Å; V82-A168 WeakPolarHBondContact O-CB 3.33Å; M84-A168 CarbonylContact O-C 3.53Å; M84-A168 WeakPolarHBondContact O-CA 3.49Å; V111-A168 HydrophobicContact CG2-CB 3.96Å; V111-A168 PolarHBondContact N-O 3.39Å; V111-A168 CarbonylContact O-C 3.49Å; V111-A168 WeakPolarHBondContact O-CA 3.44Å; V111-A168 WeakPolarHBondContact O-CB 3.4Å; V111-A168 PolarHBondContact O-N 2.86Å; F113-A168 HydrophobicContact CB-CB 3.81Å; F113-A168 HydrophobicContact CD2-CB 4.15Å; F113-A168 HydrophobicContact CG-CB 4.49Å |
| 169 | C | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.5 | 174.4 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | T81 V82 M84 C86 V89 | T81-C169 CarbonylContact C-O 3.53Å; T81-C169 WeakPolarHBondContact CA-O 3.46Å; V82-C169 PolarHBondContact N-O 3.25Å; V82-C169 PolarHBondContact O-N 3.34Å; M84-C169 VanDerWaalsContact O-CB 3.3Å; M84-C169 WeakPolarHBondContact O-CB 3.5Å; M84-C169 PolarHBondContact O-N 3.36Å; C86-C169 WeakPolarHBondContact CA-SG 3.5Å; C86-C169 HydrophobicContact CB-CB 3.91Å; C86-C169 WeakPolarHBondContact CB-SG 3.23Å; C86-C169 WeakPolarHBondContact SG-CA 3.48Å; C86-C169 WeakPolarHBondContact SG-CB 3.36Å; C86-C169 CovalentContact SG-SG 2.04Å; C86-C169 PolarHBondContact SG-SG 3.4Å; V89-C169 HydrophobicContact CG1-CB 3.74Å |
| 170 | R | 95.9 | Very high | 88.5 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.9 | 170.9 | -178.2 | -175.6 | -179.5 | -161.8 | 5.2 | 109 | D79 Y108 E109 V111 H172 | D79-R170 WeakPolarHBondContact OD1-CG 3.37Å; D79-R170 IonicContact OD1-CZ 3.57Å; D79-R170 IonicContact OD1-NE 3.28Å; D79-R170 PolarHBondContact OD1-NE 2.91Å; D79-R170 IonicContact OD1-NH2 2.69Å; D79-R170 IonicContact OD2-CZ 3.31Å; D79-R170 IonicContact OD2-NE 3.25Å; D79-R170 PolarHBondContact OD2-NE 3.48Å; D79-R170 IonicContact OD2-NH2 3.58Å; D79-R170 PolarHBondContact OD2-NH2 3.43Å; Y108-R170 WeakPolarHBondContact CA-O 3.2Å; E109-R170 HydrophobicContact CB-CB 4.31Å; E109-R170 PolarHBondContact N-O 3.38Å; E109-R170 PolarHBondContact O-N 3.36Å; E109-R170 IonicContact OE2-NH1 2.57Å; E109-R170 PolarHBondContact OE2-NH1 3.36Å; V111-R170 HydrophobicContact CG1-CB 3.85Å; V111-R170 HydrophobicContact CG2-CB 3.84Å; R170-H172 HydrophobicContact CG-CB 4.39Å |
| 171 | I | 95.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 105.7 | 177 | -53.3 | 175.8 | 0 | 0 | 0 | 106.3 | D79 V80 V82 V89 A91 L106 Q107 Y108 I186 | D79-I171 WeakPolarHBondContact CA-O 3.38Å; V80-I171 PolarHBondContact N-O 3.12Å; V80-I171 PolarHBondContact O-N 2.94Å; V82-I171 HydrophobicContact CG2-CD1 4.48Å; V89-I171 HydrophobicContact CG1-CD1 4.43Å; V89-I171 HydrophobicContact CG2-CD1 4.15Å; A91-I171 HydrophobicContact CB-CD1 4.25Å; A91-I171 HydrophobicContact CB-CG2 4.03Å; L106-I171 HydrophobicContact CB-CG2 4.47Å; L106-I171 HydrophobicContact CD1-CG2 4.46Å; Q107-I171 WeakPolarHBondContact O-CA 3.44Å; Y108-I171 HydrophobicContact CD1-CD1 4.31Å; Y108-I171 HydrophobicContact CD1-CG1 3.85Å; Y108-I171 HydrophobicContact CE1-CD1 3.9Å; Y108-I171 HydrophobicContact CE1-CG1 3.88Å; Y108-I171 HydrophobicContact CE1-CG2 4.3Å; I171-I186 HydrophobicContact CD1-CD1 4.36Å; I171-I186 HydrophobicContact CD1-CG2 3.77Å |
| 172 | H | 94.8 | Very high | 90 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.5 | -175.9 | 70.7 | -79.6 | 0 | 0 | 0 | 112.8 | V78 D79 Q107 E109 R170 | V78-H172 CarbonylContact O-C 3.59Å; V78-H172 WeakPolarHBondContact O-CA 3.48Å; D79-H172 HydrophobicContact CB-CB 4.23Å; Q107-H172 PolarHBondContact N-O 3.27Å; Q107-H172 PolarHBondContact O-N 2.96Å; E109-H172 IonicContact OE2-CE1 3.48Å; R170-H172 HydrophobicContact CG-CB 4.39Å |
| 173 | G | 93.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.3 | -159.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V78 G105 | V78-G173 PolarHBondContact N-O 3.39Å; V78-G173 PolarHBondContact O-N 3.44Å; G105-G173 WeakPolarHBondContact O-CA 3.42Å |
| 174 | H | 92.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 36% | 0.356 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.5 | 179.1 | 61.6 | -84.8 | 0 | 0 | 0 | 111.5 | R75 I76 N77 G105 Y176 | R75-H174 HydrophobicContact CG-CB 4.32Å; I76-H174 CarbonylContact O-C 3.58Å; I76-H174 WeakPolarHBondContact O-CA 3.27Å; N77-H174 WeakPolarHBondContact OD1-CB 3.45Å; G105-H174 CarbonylContact C-O 3.5Å; G105-H174 WeakPolarHBondContact CA-O 3.5Å; G105-H174 PolarHBondContact O-N 2.96Å; H174-Y176 AromaticContact CD2-CE2 3.82Å |
| 175 | A | 91.2 | Very high | 92.1 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R75 I76 I93 | R75-A175 CarbonylContact C-O 3.55Å; R75-A175 WeakPolarHBondContact CA-O 3.46Å; I76-A175 PolarHBondContact N-O 3.18Å; I76-A175 PolarHBondContact O-N 2.93Å; I93-A175 HydrophobicContact CD1-CB 3.59Å |
| 176 | Y | 90.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 34.3 Ų | 34.3 | 50% | 0.502 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.7 | 173.3 | -71.6 | -84.7 | 0 | 0 | 0 | 109.3 | K73 R75 I101 H174 | K73-Y176 HydrophobicContact CB-CD1 4.22Å; R75-Y176 HydrophobicContact CB-CD1 4.08Å; R75-Y176 HydrophobicContact CB-CE1 3.87Å; R75-Y176 HydrophobicContact CG-CE1 4.2Å; I101-Y176 WeakPolarHBondContact CG2-O 3.37Å; H174-Y176 AromaticContact CD2-CE2 3.82Å |
| 177 | V | 90.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 163.7 | -178.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | K73 L74 I76 I93 I101 Y294 | K73-V177 CarbonylContact C-O 3.59Å; K73-V177 VanDerWaalsContact CA-O 3.29Å; K73-V177 WeakPolarHBondContact CA-O 3.33Å; L74-V177 HydrophobicContact CB-CG2 3.89Å; L74-V177 HydrophobicContact CD2-CG2 4.33Å; L74-V177 HydrophobicContact CG-CG2 4.31Å; L74-V177 PolarHBondContact N-O 3.43Å; L74-V177 WeakPolarHBondContact O-CG2 3.32Å; L74-V177 PolarHBondContact O-N 3.47Å; I76-V177 HydrophobicContact CD1-CG1 4Å; I76-V177 HydrophobicContact CD1-CG2 3.68Å; I76-V177 HydrophobicContact CG1-CG2 3.95Å; I93-V177 HydrophobicContact CD1-CG1 4.31Å; I93-V177 HydrophobicContact CG2-CG1 3.82Å; I101-V177 HydrophobicContact CD1-CB 3.83Å; I101-V177 HydrophobicContact CD1-CG1 4.04Å; V177-Y294 HydrophobicContact CG2-CE2 4.34Å |
| 178 | N | 89.3 | Confident | 92.3 | Very high | 50 Ų | 50 | 27.9 Ų | 27.9 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 142.5 | 167.6 | -68.8 | -38.7 | 0 | 0 | 0 | 109.7 | K73 D95 V180 | K73-N178 PolarHBondContact NZ-OD1 2.98Å; D95-N178 PolarHBondContact OD2-ND2 3.48Å; N178-V180 HydrophobicContact CB-CG2 3.74Å; N178-V180 PolarHBondContact O-N 3.34Å |
| 179 | K | 89.9 | Confident | 91.8 | Very high | 23 Ų | 23 | 28 Ų | 28 | 10% | 0.1 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -77.4 | 64.8 | 176 | -168.9 | 178.8 | 179.1 | 177.7 | 0 | 110.9 | D67 D69 S72 L74 T296 | D67-K179 IonicContact OD1-NZ 2.69Å; D67-K179 PolarHBondContact OD1-NZ 3.05Å; D67-K179 WeakPolarHBondContact OD2-CE 3.33Å; D67-K179 IonicContact OD2-NZ 3.79Å; D67-K179 PolarHBondContact OD2-NZ 2.97Å; D69-K179 WeakPolarHBondContact O-CD 3.4Å; D69-K179 PolarHBondContact O-NZ 3.49Å; S72-K179 WeakPolarHBondContact O-CB 3.08Å; L74-K179 HydrophobicContact CB-CB 4.45Å; K179-T296 HydrophobicContact CG-CG2 3.97Å |
| 180 | V | 90.2 | Very high | 90.9 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 35% | 0.352 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -140.3 | 168.2 | 179.6 | -62.9 | 0 | 0 | 0 | 0 | 108.6 | D95 N178 G182 Y294 | D95-V180 HydrophobicContact CB-CG2 3.9Å; N178-V180 HydrophobicContact CB-CG2 3.74Å; N178-V180 PolarHBondContact O-N 3.34Å; V180-G182 PolarHBondContact O-N 2.8Å; V180-Y294 WeakPolarHBondContact O-CE2 3.43Å |
| 181 | A | 92.7 | Very high | 89.8 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | trans | -55.6 | 139.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L96 Y294 D295 | L96-A181 WeakPolarHBondContact CB-O 3.25Å; L96-A181 HydrophobicContact CD1-CB 4.03Å; L96-A181 PolarHBondContact N-O 2.84Å; A181-Y294 CarbonylContact C-O 3.47Å; A181-Y294 VanDerWaalsContact CA-O 3.28Å; A181-Y294 WeakPolarHBondContact CA-O 3.42Å; A181-D295 HydrophobicContact CB-CB 4.45Å | ||
| 182 | G | 92.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L94 V180 K293 Y294 | L94-G182 CarbonylContact O-C 3.24Å; L94-G182 WeakPolarHBondContact O-CA 3.44Å; V180-G182 PolarHBondContact O-N 2.8Å; G182-K293 WeakPolarHBondContact O-CA 3.31Å; G182-Y294 PolarHBondContact N-O 2.87Å; G182-Y294 PolarHBondContact O-N 3.48Å |
| 183 | N | 92.1 | Very high | 86.7 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 102.4 | -173.6 | -177 | 28.9 | 0 | 0 | 0 | 110 | L94 H185 V292 K293 | L94-N183 PolarHBondContact N-O 2.95Å; L94-N183 VanDerWaalsContact N-O 3.11Å; L94-N183 PolarHBondContact O-N 2.88Å; N183-H185 PolarHBondContact O-ND1 3.43Å; N183-V292 WeakPolarHBondContact CA-O 3.46Å; N183-K293 HydrophobicContact CB-CG 4.46Å |
| 184 | L | 92.9 | Very high | 84.9 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.3 | 164.9 | 163.4 | 67.5 | 0 | 0 | 0 | 107.5 | V78 A91 D92 I93 V292 | V78-L184 HydrophobicContact CG1-CD2 4.34Å; V78-L184 HydrophobicContact CG2-CD2 3.84Å; A91-L184 HydrophobicContact CB-CD1 4.37Å; D92-L184 CarbonylContact O-C 3.47Å; D92-L184 WeakPolarHBondContact O-CA 3.46Å; I93-L184 HydrophobicContact CD1-CD1 4.28Å; I93-L184 HydrophobicContact CG1-CB 4.15Å; I93-L184 HydrophobicContact CG1-CD1 3.6Å; I93-L184 HydrophobicContact CG1-CG 4.44Å; L184-V292 HydrophobicContact CB-CB 4.11Å; L184-V292 HydrophobicContact CD2-CB 4.29Å; L184-V292 HydrophobicContact CD2-CG2 4.4Å; L184-V292 HydrophobicContact CG-CB 4.37Å; L184-V292 PolarHBondContact N-O 3.48Å; L184-V292 PolarHBondContact O-N 3.24Å |
| 185 | H | 91.3 | Very high | 82.9 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137 | 179.5 | 60.7 | -79.5 | 0 | 0 | 0 | 111 | A91 D92 L94 N183 H200 I290 F291 | A91-H185 WeakPolarHBondContact CA-O 3.27Å; D92-H185 PolarHBondContact N-O 3.49Å; D92-H185 PolarHBondContact O-N 3.48Å; D92-H185 PolarHBondContact O-ND1 3.02Å; D92-H185 IonicContact OD2-CE1 3.3Å; L94-H185 VanDerWaalsContact CD1-CE1 3.43Å; L94-H185 WeakPolarHBondContact CD1-CE1 3.34Å; N183-H185 PolarHBondContact O-ND1 3.43Å; H185-H200 AromaticContact CD2-CE1 3.86Å; H185-H200 AromaticContact CD2-NE2 3.33Å; H185-H200 PolarHBondContact CD2-NE2 2.98Å; H185-H200 VanDerWaalsContact CD2-NE2 3.33Å; H185-H200 AromaticContact NE2-CE1 3.68Å; H185-H200 AromaticContact NE2-NE2 3.1Å; H185-H200 PolarHBondContact NE2-NE2 3Å; H185-I290 CarbonylContact C-O 3.59Å; H185-I290 WeakPolarHBondContact CA-O 3.41Å; H185-F291 HydrophobicContact CB-CD1 3.4Å; H185-F291 VanDerWaalsContact CB-CD1 3.4Å; H185-F291 HydrophobicContact CB-CE1 3.63Å; H185-F291 HydrophobicContact CB-CG 4.34Å |
| 186 | I | 93.4 | Very high | 81.2 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.3 | 178.9 | -51 | 170.9 | 0 | 0 | 0 | 106.8 | V80 V82 V89 G90 A91 I171 G289 I290 | V80-I186 HydrophobicContact CB-CD1 4.4Å; V80-I186 HydrophobicContact CG1-CD1 4.09Å; V82-I186 HydrophobicContact CG2-CG2 4.17Å; V89-I186 HydrophobicContact CG2-CG2 3.35Å; G90-I186 WeakPolarHBondContact O-CA 3.45Å; A91-I186 HydrophobicContact CB-CG1 4.01Å; I171-I186 HydrophobicContact CD1-CD1 4.36Å; I171-I186 HydrophobicContact CD1-CG2 3.77Å; I186-G289 WeakPolarHBondContact O-CA 3.43Å; I186-I290 HydrophobicContact CB-CB 4.22Å; I186-I290 PolarHBondContact N-O 2.87Å; I186-I290 PolarHBondContact O-N 3.43Å |
| 187 | T | 90.8 | Very high | 79.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 178.1 | -173.3 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | G90 H200 V287 F291 | G90-T187 PolarHBondContact N-O 3.39Å; G90-T187 PolarHBondContact O-N 3.03Å; T187-H200 PolarHBondContact OG1-CD2 3.38Å; T187-H200 VanDerWaalsContact OG1-CD2 3.24Å; T187-H200 PolarHBondContact OG1-CE1 2.86Å; T187-H200 PolarHBondContact OG1-ND1 3.23Å; T187-H200 PolarHBondContact OG1-NE2 3.05Å; T187-V287 HydrophobicContact CG2-CG1 4.44Å; T187-F291 HydrophobicContact CG2-CE1 4.24Å; T187-F291 HydrophobicContact CG2-CZ 3.96Å |
| 188 | V | 89.2 | Confident | 78 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.5 | 179.7 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | M84 H88 H200 V205 Y210 F212 | M84-V188 HydrophobicContact CE-CG1 4.33Å; M84-V188 HydrophobicContact CE-CG2 3.98Å; H88-V188 CarbonylContact O-C 3.5Å; H88-V188 VanDerWaalsContact O-CA 3.27Å; H88-V188 WeakPolarHBondContact O-CA 3.25Å; H88-V188 WeakPolarHBondContact O-CG1 3.41Å; V188-H200 WeakPolarHBondContact O-CB 3.48Å; V188-V205 HydrophobicContact CG1-CB 3.83Å; V188-V205 HydrophobicContact CG1-CG1 3.82Å; V188-V205 HydrophobicContact CG1-CG2 3.95Å; V188-Y210 HydrophobicContact CB-CE1 4.17Å; V188-Y210 HydrophobicContact CG1-CD1 4.28Å; V188-Y210 HydrophobicContact CG1-CE1 3.67Å; V188-Y210 HydrophobicContact CG2-CD1 3.86Å; V188-Y210 HydrophobicContact CG2-CD2 4.02Å; V188-Y210 HydrophobicContact CG2-CE1 3.76Å; V188-Y210 HydrophobicContact CG2-CE2 3.89Å; V188-Y210 HydrophobicContact CG2-CG 3.99Å; V188-F212 HydrophobicContact CG2-CE1 4.19Å; V188-F212 HydrophobicContact CG2-CZ 3.62Å |
| 189 | G | 83.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 92.2 | 151.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H88 G90 H200 | H88-G189 PolarHBondContact O-N 2.92Å; G90-G189 WeakPolarHBondContact CA-O 3.42Å; G90-G189 PolarHBondContact N-O 2.89Å; G189-H200 PolarHBondContact O-ND1 2.97Å; G189-H200 VanDerWaalsContact O-ND1 3.14Å |
| 190 | K | 76.2 | Confident | 75.2 | Confident | 132 Ų | 132 | 54.8 Ų | 54.8 | 57% | 0.574 | 30% | 0.3 | S | S | * | . | trans | -68.2 | 143.1 | 174.6 | -67.7 | -169.1 | 176.6 | -174 | 0 | 110.2 | I192 | K190-I192 PolarHBondContact O-N 3.33Š| ||
| 191 | P | 72.9 | Confident | 73.9 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 134.7 | 176.7 | 26.9 | -33.6 | 0 | 0 | 0 | 110 | D92 M100 | D92-P191 HydrophobicContact CB-CB 4.02Å; D92-P191 HydrophobicContact CB-CG 4.18Å; M100-P191 HydrophobicContact CE-CB 4.14Å |
| 192 | I | 66.8 | Low | 72.3 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 40% | 0.395 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.2 | 168.2 | -70.4 | -161 | 0 | 0 | 0 | 109.7 | K190 H194 A199 I201 | K190-I192 PolarHBondContact O-N 3.33Å; I192-H194 PolarHBondContact O-N 2.68Å; I192-A199 PolarHBondContact N-O 3.07Å; I192-I201 HydrophobicContact CD1-CD1 3.07Å; I192-I201 HydrophobicContact CD1-CG1 3.46Å; I192-I201 VanDerWaalsContact CD1-CG1 3.46Å; I192-I201 HydrophobicContact CG1-CD1 3.88Å; I192-I201 HydrophobicContact CG1-CG1 3.98Å |
| 193 | H | 59.2 | Low | 70.5 | Confident | 127 Ų | 127 | 59.9 Ų | 59.9 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.9 | 172.2 | -53.8 | -83.2 | 0 | 0 | 0 | 110.4 | M100 | M100-H193 PolarHBondContact SD-CE1 2.81Å; M100-H193 PolarHBondContact SD-ND1 2.94Å |
| 194 | H | 55.2 | Low | 68.9 | Low | 112 Ų | 112 | 67.1 Ų | 67.1 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.3 | 167.3 | -166.5 | 73.2 | 0 | 0 | 0 | 109.7 | I192 Q196 G197 | I192-H194 PolarHBondContact O-N 2.68Å; H194-Q196 PolarHBondContact O-N 2.62Å; H194-Q196 VanDerWaalsContact O-N 3.08Å; H194-G197 CarbonylContact C-O 3.46Å; H194-G197 WeakPolarHBondContact CA-O 3.39Å; H194-G197 WeakPolarHBondContact CB-O 3.32Å; H194-G197 PolarHBondContact N-O 3.14Å; H194-G197 PolarHBondContact O-N 3.04Å |
| 195 | P | 51.6 | Low | 67.8 | Low | 128 Ų | 128 | 67.8 Ų | 67.8 | 83% | 0.831 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.5 | -176.6 | 20.5 | -31.2 | 0 | 0 | 0 | 115.5 | ||
| 196 | Q | 54.4 | Low | 66.9 | Low | 183 Ų | 183 | 70.6 Ų | 70.6 | 86% | 0.855 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 12.2 | 175.9 | -69.4 | -179.9 | -4.2 | 0 | 0 | 113.6 | H194 | H194-Q196 PolarHBondContact O-N 2.62Å; H194-Q196 VanDerWaalsContact O-N 3.08Å |
| 197 | G | 56.2 | Low | 66 | Low | 29 Ų | 29 | 76.4 Ų | 76.4 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -173.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H194 | H194-G197 CarbonylContact C-O 3.46Å; H194-G197 WeakPolarHBondContact CA-O 3.39Å; H194-G197 WeakPolarHBondContact CB-O 3.32Å; H194-G197 PolarHBondContact N-O 3.14Å; H194-G197 PolarHBondContact O-N 3.04Å |
| 198 | H | 59.2 | Low | 65.2 | Low | 65 Ų | 65 | 84.6 Ų | 84.6 | 30% | 0.301 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.6 | 179.5 | -17.5 | -64.3 | 0 | 0 | 0 | 108.6 | L94 E98 M100 | L94-H198 WeakPolarHBondContact CD1-CD2 3.41Å; L94-H198 VanDerWaalsContact CD2-NE2 3.34Å; L94-H198 WeakPolarHBondContact CD2-NE2 3.37Å; E98-H198 PolarHBondContact O-CE1 2.84Å; M100-H198 HydrophobicContact CE-CB 4.19Å |
| 199 | A | 57.8 | Low | 64.7 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | I192 | I192-A199 PolarHBondContact N-O 3.07Å |
| 200 | H | 61.1 | Low | 64.9 | Low | 47 Ų | 47 | 86.4 Ų | 86.4 | 22% | 0.218 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.2 | 166.3 | -62 | -95 | 0 | 0 | 0 | 108.7 | H185 T187 V188 G189 A202 | H185-H200 AromaticContact CD2-CE1 3.86Å; H185-H200 AromaticContact CD2-NE2 3.33Å; H185-H200 PolarHBondContact CD2-NE2 2.98Å; H185-H200 VanDerWaalsContact CD2-NE2 3.33Å; H185-H200 AromaticContact NE2-CE1 3.68Å; H185-H200 AromaticContact NE2-NE2 3.1Å; H185-H200 PolarHBondContact NE2-NE2 3Å; T187-H200 PolarHBondContact OG1-CD2 3.38Å; T187-H200 VanDerWaalsContact OG1-CD2 3.24Å; T187-H200 PolarHBondContact OG1-CE1 2.86Å; T187-H200 PolarHBondContact OG1-ND1 3.23Å; T187-H200 PolarHBondContact OG1-NE2 3.05Å; V188-H200 WeakPolarHBondContact O-CB 3.48Å; G189-H200 PolarHBondContact O-ND1 2.97Å; G189-H200 VanDerWaalsContact O-ND1 3.14Å; H200-A202 VanDerWaalsContact C-N 3.31Å; H200-A202 PolarHBondContact O-N 3.31Å |
| 201 | I | 62.7 | Low | 65.8 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -74.6 | 92.3 | 171.8 | -53 | 166.1 | 0 | 0 | 0 | 108.5 | I192 A203 F204 | I192-I201 HydrophobicContact CD1-CD1 3.07Å; I192-I201 HydrophobicContact CD1-CG1 3.46Å; I192-I201 VanDerWaalsContact CD1-CG1 3.46Å; I192-I201 HydrophobicContact CG1-CD1 3.88Å; I192-I201 HydrophobicContact CG1-CG1 3.98Å; I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 HydrophobicContact CG2-CB 4.07Å; I201-F204 HydrophobicContact CG2-CD2 3.8Å; I201-F204 HydrophobicContact CG2-CE2 4.1Å | ||
| 202 | A | 59.6 | Low | 66.8 | Low | 37 Ų | 37 | 81.5 Ų | 81.5 | 31% | 0.306 | 45% | 0.447 | S | S | . | . | trans | -85.7 | -10.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H200 F204 V205 | H200-A202 VanDerWaalsContact C-N 3.31Å; H200-A202 PolarHBondContact O-N 3.31Å; A202-F204 PolarHBondContact O-N 2.98Å; A202-V205 PolarHBondContact O-N 3.25Å | ||
| 203 | A | 54.5 | Low | 68.2 | Low | 88 Ų | 88 | 78 Ų | 78 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I201 | I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 HydrophobicContact CG2-CB 4.07Å |
| 204 | F | 59.7 | Low | 70 | Confident | 189 Ų | 189 | 72.1 Ų | 72.1 | 83% | 0.829 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 3.5 | -179.4 | -58.1 | -70.7 | 0 | 0 | 0 | 113.7 | I201 A202 | I201-F204 HydrophobicContact CG2-CD2 3.8Å; I201-F204 HydrophobicContact CG2-CE2 4.1Å; A202-F204 PolarHBondContact O-N 2.98Å |
| 205 | V | 68.3 | Low | 71.9 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -107.6 | 118.9 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | H88 V188 A202 A209 Y210 | H88-V205 HydrophobicContact CB-CG1 4.16Å; H88-V205 HydrophobicContact CB-CG2 4.3Å; V188-V205 HydrophobicContact CG1-CB 3.83Å; V188-V205 HydrophobicContact CG1-CG1 3.82Å; V188-V205 HydrophobicContact CG1-CG2 3.95Å; A202-V205 PolarHBondContact O-N 3.25Å; V205-A209 HydrophobicContact CG1-CB 3.94Å; V205-Y210 HydrophobicContact CB-CE1 4.26Å; V205-Y210 HydrophobicContact CG1-CD1 4.23Å; V205-Y210 HydrophobicContact CG1-CE1 3.88Å |
| 206 | S | 73.5 | Confident | 74 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | trans | -60.7 | 139.1 | 175.4 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | E208 A209 | S206-E208 PolarHBondContact O-N 2.69Å; S206-A209 WeakPolarHBondContact O-CB 3.36Å; S206-A209 PolarHBondContact O-N 3.05Å | ||
| 207 | H | 73.6 | Confident | 75.8 | Confident | 126 Ų | 126 | 52.9 Ų | 52.9 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -56 | -21.2 | 174.3 | -71.2 | -73.6 | 0 | 0 | 0 | 113.8 | A209 Y210 N242 | H207-A209 VanDerWaalsContact C-N 3.25Å; H207-A209 PolarHBondContact O-N 3.25Å; H207-Y210 AromaticContact ND1-CE2 3.59Å; H207-Y210 AromaticContact ND1-CZ 3.75Å; H207-Y210 PolarHBondContact O-N 3.28Å; H207-N242 PolarHBondContact O-ND2 3.15Å |
| 208 | E | 74.2 | Confident | 77.6 | Confident | 176 Ų | 176 | 53.2 Ų | 53.2 | 82% | 0.822 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -68.9 | -21.2 | 173.8 | -63.9 | -177.1 | -180 | 0 | 0 | 113.5 | S206 Y210 | S206-E208 PolarHBondContact O-N 2.69Å; E208-Y210 VanDerWaalsContact C-N 3.31Å |
| 209 | A | 78.6 | Confident | 79.2 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -87.1 | -1.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V205 S206 H207 N211 | V205-A209 HydrophobicContact CG1-CB 3.94Å; S206-A209 WeakPolarHBondContact O-CB 3.36Å; S206-A209 PolarHBondContact O-N 3.05Å; H207-A209 VanDerWaalsContact C-N 3.25Å; H207-A209 PolarHBondContact O-N 3.25Å; A209-N211 PolarHBondContact O-N 2.73Å |
| 210 | Y | 88.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | trans | -81.9 | 114.5 | -176.3 | -70.4 | 21.1 | 0 | 0 | 0 | 109 | V188 V205 H207 E208 F212 N242 | V188-Y210 HydrophobicContact CB-CE1 4.17Å; V188-Y210 HydrophobicContact CG1-CD1 4.28Å; V188-Y210 HydrophobicContact CG1-CE1 3.67Å; V188-Y210 HydrophobicContact CG2-CD1 3.86Å; V188-Y210 HydrophobicContact CG2-CD2 4.02Å; V188-Y210 HydrophobicContact CG2-CE1 3.76Å; V188-Y210 HydrophobicContact CG2-CE2 3.89Å; V188-Y210 HydrophobicContact CG2-CG 3.99Å; V205-Y210 HydrophobicContact CB-CE1 4.26Å; V205-Y210 HydrophobicContact CG1-CD1 4.23Å; V205-Y210 HydrophobicContact CG1-CE1 3.88Å; H207-Y210 AromaticContact ND1-CE2 3.59Å; H207-Y210 AromaticContact ND1-CZ 3.75Å; H207-Y210 PolarHBondContact O-N 3.28Å; E208-Y210 VanDerWaalsContact C-N 3.31Å; Y210-F212 HydrophobicContact CD2-CE2 4.31Å; Y210-N242 WeakPolarHBondContact CB-O 3.35Å; Y210-N242 WeakPolarHBondContact O-CA 3.19Å; Y210-N242 VanDerWaalsContact O-CG 3.29Å; Y210-N242 PolarHBondContact O-OD1 3.34Å | ||
| 211 | N | 93.3 | Very high | 82.5 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | trans | -142.3 | 93.6 | 175.2 | -176.1 | -8 | 0 | 0 | 0 | 109.9 | A83 M84 A209 S213 | A83-N211 HydrophobicContact CB-CB 4.48Å; A83-N211 WeakPolarHBondContact O-CB 3.23Å; M84-N211 HydrophobicContact CG-CB 4.23Å; M84-N211 VanDerWaalsContact CG-O 3.27Å; M84-N211 WeakPolarHBondContact CG-O 3.49Å; M84-N211 PolarHBondContact SD-N 3.28Å; A209-N211 PolarHBondContact O-N 2.73Å; N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 2.82Å | ||
| 212 | F | 94.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | trans | -80.1 | 17.9 | 179.5 | -63 | -71.4 | 0 | 0 | 0 | 113.6 | M84 V188 Y210 H214 T239 N242 Q244 Y246 S288 G289 I290 | M84-F212 HydrophobicContact SD-CE1 4.4Å; V188-F212 HydrophobicContact CG2-CE1 4.19Å; V188-F212 HydrophobicContact CG2-CZ 3.62Å; Y210-F212 HydrophobicContact CD2-CE2 4.31Å; F212-H214 PolarHBondContact O-N 3.35Å; F212-H214 PolarHBondContact O-ND1 2.84Å; F212-T239 HydrophobicContact CB-CG2 4.41Å; F212-N242 WeakPolarHBondContact CE2-O 3.41Å; F212-Q244 WeakPolarHBondContact CD2-O 3.37Å; F212-Y246 HydrophobicContact CB-CD2 4.31Å; F212-Y246 HydrophobicContact CB-CE2 4.23Å; F212-Y246 WeakPolarHBondContact O-CE2 3.12Å; F212-S288 VanDerWaalsContact CE2-CB 3.46Å; F212-S288 WeakPolarHBondContact CE2-OG 3.43Å; F212-S288 WeakPolarHBondContact CZ-O 3.5Å; F212-G289 VanDerWaalsContact CE1-CA 3.49Å; F212-I290 HydrophobicContact CB-CG1 4.5Å; F212-I290 HydrophobicContact CD1-CG1 4.44Å | ||
| 213 | S | 96.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -60.9 | 129.4 | 167.1 | -57.7 | 0 | 0 | 0 | 0 | 108.1 | A83 N211 K237 T239 | A83-S213 WeakPolarHBondContact CB-O 3.47Å; A83-S213 PolarHBondContact N-O 3.19Å; N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 2.82Å; S213-K237 CarbonylContact C-O 3.57Å; S213-K237 VanDerWaalsContact CA-O 3.23Å; S213-K237 WeakPolarHBondContact CA-O 3.45Å; S213-T239 PolarHBondContact OG-N 2.98Å; S213-T239 PolarHBondContact OG-O 3.41Å | ||
| 214 | H | 96.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 157.8 | -173 | 64 | -77.4 | 0 | 0 | 0 | 111.8 | T81 V82 F212 E236 K237 Y246 Y248 I290 | T81-H214 CarbonylContact O-C 3.46Å; T81-H214 WeakPolarHBondContact O-CA 3.47Å; T81-H214 WeakPolarHBondContact O-CB 3.41Å; V82-H214 HydrophobicContact CG2-CB 4.23Å; F212-H214 PolarHBondContact O-N 3.35Å; F212-H214 PolarHBondContact O-ND1 2.84Å; H214-E236 WeakPolarHBondContact O-CA 3.16Å; H214-K237 PolarHBondContact N-O 3.39Å; H214-K237 PolarHBondContact O-N 2.81Å; H214-Y246 AromaticContact CE1-CD2 3.45Å; H214-Y246 VanDerWaalsContact CE1-CD2 3.45Å; H214-Y246 WeakPolarHBondContact CE1-CD2 3.16Å; H214-Y246 AromaticContact CE1-CE2 3.83Å; H214-Y246 AromaticContact CE1-CG 3.54Å; H214-Y246 AromaticContact ND1-CD2 3.8Å; H214-Y246 AromaticContact ND1-CE2 3.93Å; H214-Y248 PolarHBondContact CE1-OH 3.48Å; H214-Y248 AromaticContact NE2-CE2 3.51Å; H214-Y248 AromaticContact NE2-CZ 3.5Å; H214-Y248 PolarHBondContact NE2-OH 2.89Å; H214-I290 HydrophobicContact CB-CD1 3.58Å; H214-I290 VanDerWaalsContact CG-CD1 3.47Å |
| 215 | R | 95.9 | Very high | 87.5 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 4% | 0.038 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.5 | 173.1 | -174.8 | 179.3 | 67.1 | -118.4 | -4.3 | 108.4 | V80 T81 F113 L115 D217 T235 E236 | V80-R215 CarbonylContact C-O 3.57Å; V80-R215 WeakPolarHBondContact CA-O 3.39Å; T81-R215 PolarHBondContact N-O 2.93Å; T81-R215 PolarHBondContact O-N 2.72Å; T81-R215 PolarHBondContact OG1-NH2 3.03Å; F113-R215 PolarHBondContact O-NH1 3.43Å; L115-R215 VanDerWaalsContact CD2-NH1 3.26Å; R215-D217 WeakPolarHBondContact CD-OD1 3.41Å; R215-D217 IonicContact CZ-OD1 2.75Å; R215-D217 IonicContact CZ-OD2 2.88Å; R215-D217 IonicContact NE-OD1 3.89Å; R215-D217 PolarHBondContact NE-OD1 3.03Å; R215-D217 IonicContact NE-OD2 3.96Å; R215-D217 PolarHBondContact NE-OD2 3.16Å; R215-D217 IonicContact NH2-OD1 3.38Å; R215-D217 IonicContact NH2-OD2 3.96Å; R215-D217 PolarHBondContact NH2-OD2 3.4Å; R215-T235 CarbonylContact C-O 3.52Å; R215-T235 VanDerWaalsContact CA-O 3.25Å; R215-T235 WeakPolarHBondContact CA-O 3.4Å; R215-T235 WeakPolarHBondContact CG-O 3.38Å; R215-E236 HydrophobicContact CG-CB 4.37Å |
| 216 | I | 95.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104.6 | 172.6 | -55.3 | 177.2 | 0 | 0 | 0 | 105.5 | V80 L219 L232 G234 T235 Y248 | V80-I216 HydrophobicContact CG2-CB 4.48Å; V80-I216 HydrophobicContact CG2-CG1 4.22Å; V80-I216 HydrophobicContact CG2-CG2 4.22Å; I216-L219 HydrophobicContact CG2-CB 3.87Å; I216-L232 WeakPolarHBondContact CB-O 3.48Å; I216-L232 HydrophobicContact CD1-CB 4.18Å; I216-L232 HydrophobicContact CD1-CD1 4.02Å; I216-L232 HydrophobicContact CD1-CD2 4.32Å; I216-L232 HydrophobicContact CD1-CG 4.42Å; I216-L232 HydrophobicContact CG2-CB 4.1Å; I216-G234 WeakPolarHBondContact O-CA 3.33Å; I216-G234 PolarHBondContact O-N 2.78Å; I216-T235 WeakPolarHBondContact CB-OG1 3.42Å; I216-T235 PolarHBondContact N-O 3.43Å; I216-T235 PolarHBondContact O-N 2.84Å; I216-Y248 HydrophobicContact CD1-CE1 4.36Å; I216-Y248 HydrophobicContact CD1-CE2 4.11Å |
| 217 | D | 92.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -44.4 | -179.8 | -73.7 | -48.1 | 0 | 0 | 0 | 109.7 | D79 T81 R215 | D79-D217 HydrophobicContact CB-CB 4.24Å; D79-D217 PolarHBondContact O-N 3.13Å; T81-D217 PolarHBondContact OG1-OD2 2.95Å; R215-D217 WeakPolarHBondContact CD-OD1 3.41Å; R215-D217 IonicContact CZ-OD1 2.75Å; R215-D217 IonicContact CZ-OD2 2.88Å; R215-D217 IonicContact NE-OD1 3.89Å; R215-D217 PolarHBondContact NE-OD1 3.03Å; R215-D217 IonicContact NE-OD2 3.96Å; R215-D217 PolarHBondContact NE-OD2 3.16Å; R215-D217 IonicContact NH2-OD1 3.38Å; R215-D217 IonicContact NH2-OD2 3.96Å; R215-D217 PolarHBondContact NH2-OD2 3.4Å |
| 218 | H | 92.9 | Very high | 88 | Confident | 36 Ų | 36 | 33.4 Ų | 33.4 | 17% | 0.167 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 135.5 | 172.3 | -171.4 | 59.7 | 0 | 0 | 0 | 111.6 | D79 S220 E224 N230 D233 | D79-H218 HydrophobicContact CB-CB 3.95Å; D79-H218 PolarHBondContact N-O 3.45Å; D79-H218 PolarHBondContact O-N 2.83Å; H218-S220 WeakPolarHBondContact NE2-CB 3.14Å; H218-S220 PolarHBondContact NE2-OG 2.94Å; H218-E224 IonicContact NE2-OE1 3.76Å; H218-N230 PolarHBondContact CE1-ND2 3.08Å; H218-N230 VanDerWaalsContact CE1-ND2 3.28Å; H218-D233 WeakPolarHBondContact CA-OD1 3.32Å; H218-D233 IonicContact CE1-OD2 3.6Å; H218-D233 IonicContact CG-OD1 3.74Å; H218-D233 IonicContact ND1-OD1 2.62Å; H218-D233 PolarHBondContact ND1-OD1 3.28Å; H218-D233 IonicContact ND1-OD2 3.81Å; H218-D233 PolarHBondContact ND1-OD2 2.96Å |
| 219 | L | 93.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 118.4 | 167.1 | -176.2 | 75.7 | 0 | 0 | 0 | 109.9 | I76 N77 V78 I216 F221 N230 L232 D233 I250 F269 V292 | I76-L219 HydrophobicContact CG2-CD1 4.3Å; N77-L219 WeakPolarHBondContact O-CA 3.47Å; V78-L219 HydrophobicContact CG2-CD1 4Å; I216-L219 HydrophobicContact CG2-CB 3.87Å; L219-F221 HydrophobicContact CD2-CE2 4.32Å; L219-F221 HydrophobicContact CG-CE2 4.37Å; L219-N230 WeakPolarHBondContact O-CB 3.42Å; L219-N230 VanDerWaalsContact O-CG 3.29Å; L219-N230 PolarHBondContact O-ND2 2.72Å; L219-L232 HydrophobicContact CD2-CD1 3.68Å; L219-D233 PolarHBondContact N-OD1 2.8Å; L219-I250 HydrophobicContact CD2-CD1 3.5Å; L219-F269 HydrophobicContact CD2-CZ 4.41Å; L219-F269 WeakPolarHBondContact O-CE1 3.44Å; L219-V292 HydrophobicContact CD2-CG1 4.25Å |
| 220 | S | 93.3 | Very high | 88.9 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 162 | 178.9 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | N77 H218 | N77-S220 WeakPolarHBondContact CB-OG 3.44Å; N77-S220 PolarHBondContact N-O 2.9Å; N77-S220 PolarHBondContact ND2-OG 2.72Å; N77-S220 PolarHBondContact O-N 2.79Å; H218-S220 WeakPolarHBondContact NE2-CB 3.14Å; H218-S220 PolarHBondContact NE2-OG 2.94Å |
| 221 | F | 93.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131 | -178 | -66 | -91.6 | 0 | 0 | 0 | 109.3 | L74 R75 I76 L219 I250 V252 H267 F269 Y294 | L74-F221 HydrophobicContact CD1-CB 4.25Å; L74-F221 HydrophobicContact CD2-CD1 3.94Å; L74-F221 HydrophobicContact CG-CD1 4.32Å; R75-F221 CarbonylContact O-C 3.14Å; R75-F221 WeakPolarHBondContact O-CA 3.25Å; I76-F221 HydrophobicContact CB-CD1 4.48Å; I76-F221 HydrophobicContact CD1-CD1 4.41Å; I76-F221 HydrophobicContact CD1-CE1 3.96Å; I76-F221 HydrophobicContact CG1-CD1 3.86Å; I76-F221 HydrophobicContact CG1-CE1 3.88Å; I76-F221 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CG2-CE1 4.02Å; L219-F221 HydrophobicContact CD2-CE2 4.32Å; L219-F221 HydrophobicContact CG-CE2 4.37Å; F221-I250 HydrophobicContact CE2-CD1 4.11Å; F221-I250 HydrophobicContact CE2-CG2 3.84Å; F221-I250 HydrophobicContact CZ-CD1 4.16Å; F221-I250 HydrophobicContact CZ-CG2 4.06Å; F221-V252 HydrophobicContact CB-CG1 3.97Å; F221-V252 HydrophobicContact CD1-CG1 4.41Å; F221-V252 HydrophobicContact CD1-CG2 3.91Å; F221-V252 HydrophobicContact CD2-CG2 4.08Å; F221-V252 HydrophobicContact CE1-CG2 3.89Å; F221-V252 HydrophobicContact CE2-CG2 4.07Å; F221-V252 HydrophobicContact CG-CG1 4.1Å; F221-V252 HydrophobicContact CG-CG2 4Å; F221-V252 HydrophobicContact CZ-CG2 3.97Å; F221-H267 HydrophobicContact CB-CB 3.71Å; F221-H267 WeakPolarHBondContact O-CB 3.15Å; F221-H267 PolarHBondContact O-N 2.78Å; F221-H267 VanDerWaalsContact O-N 3.13Å; F221-H267 PolarHBondContact O-ND1 2.69Å; F221-F269 AromaticContact CD2-CD1 3.65Å; F221-F269 HydrophobicContact CD2-CD1 3.65Å; F221-F269 AromaticContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CG 4.25Å; F221-F269 AromaticContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CE1 4.12Å; F221-F269 HydrophobicContact CE2-CG 4.23Å; F221-Y294 HydrophobicContact CE1-CD1 4.46Å; F221-Y294 HydrophobicContact CE1-CD2 4.48Å; F221-Y294 HydrophobicContact CE1-CG 4.11Å; F221-Y294 HydrophobicContact CZ-CG 4.46Å |
| 222 | G | 90.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.5 | -154.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | R75 N77 H267 | R75-G222 PolarHBondContact O-N 2.68Å; N77-G222 PolarHBondContact ND2-O 3.44Å; N77-G222 VanDerWaalsContact ND2-O 3.12Å; G222-H267 WeakPolarHBondContact CA-ND1 3.45Å |
| 223 | E | 87.8 | Confident | 88.7 | Confident | 111 Ų | 111 | 23.5 Ų | 23.5 | 52% | 0.519 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -75 | 135.3 | 177.4 | -168.8 | 164 | -160 | 0 | 0 | 111 | V225 D265 | E223-V225 PolarHBondContact O-N 2.94Å; E223-D265 PolarHBondContact N-O 3.3Å |
| 224 | E | 82.9 | Confident | 88.3 | Confident | 101 Ų | 101 | 23.3 Ų | 23.3 | 47% | 0.472 | 13% | 0.125 | S | C | . | . | trans | -78 | 118.1 | 178.7 | -71.3 | 175.5 | -166.6 | 0 | 0 | 109.8 | N77 H218 | N77-E224 WeakPolarHBondContact CB-OE1 3.44Å; N77-E224 WeakPolarHBondContact ND2-CG 3.27Å; N77-E224 PolarHBondContact ND2-OE1 2.94Å; N77-E224 PolarHBondContact OD1-OE1 3.3Å; H218-E224 IonicContact NE2-OE1 3.76Å | ||
| 225 | V | 80.1 | Confident | 88.1 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | trans | -108.9 | 130.9 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | L148 E223 G227 I228 L257 A264 T266 | L148-V225 HydrophobicContact CD2-CG1 4.34Å; E223-V225 PolarHBondContact O-N 2.94Å; V225-G227 PolarHBondContact O-N 2.98Å; V225-I228 HydrophobicContact CB-CD1 3.97Å; V225-I228 HydrophobicContact CB-CG1 4.45Å; V225-I228 PolarHBondContact O-N 3.39Å; V225-L257 HydrophobicContact CG1-CD2 4.09Å; V225-A264 HydrophobicContact CG2-CB 3.6Å; V225-T266 HydrophobicContact CB-CG2 4.14Å; V225-T266 HydrophobicContact CG2-CG2 3.35Å | ||
| 226 | P | 75.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 26.5 Ų | 26.5 | 53% | 0.532 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 135.2 | 179.2 | 24.5 | -33.5 | 0 | 0 | 0 | 110.5 | L148 | L148-P226 HydrophobicContact CD2-CG 4.34Å; L148-P226 WeakPolarHBondContact CD2-O 3.32Å |
| 227 | G | 72.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 6.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L147 V225 | L147-G227 WeakPolarHBondContact CD1-O 3.39Å; V225-G227 PolarHBondContact O-N 2.98Å |
| 228 | I | 77.4 | Confident | 88.2 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | trans | -86.4 | 126.7 | 163.6 | -59.2 | -179.4 | 0 | 0 | 0 | 108.1 | Y144 V225 T266 | Y144-I228 HydrophobicContact CE1-CD1 4.46Å; Y144-I228 HydrophobicContact CE1-CG1 4.18Å; Y144-I228 WeakPolarHBondContact OH-CD1 3.18Å; V225-I228 HydrophobicContact CB-CD1 3.97Å; V225-I228 HydrophobicContact CB-CG1 4.45Å; V225-I228 PolarHBondContact O-N 3.39Å; I228-T266 HydrophobicContact CD1-CG2 4.11Å | ||
| 229 | I | 82.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | trans | -104.9 | 118.6 | 171.9 | -59.6 | 178.3 | 0 | 0 | 0 | 107.3 | L126 L133 L143 L147 T153 | L126-I229 HydrophobicContact CD1-CD1 4.08Å; L126-I229 HydrophobicContact CD1-CG1 4.38Å; L126-I229 HydrophobicContact CD1-CG2 4.01Å; L133-I229 HydrophobicContact CD1-CD1 4.22Å; L143-I229 HydrophobicContact CD2-CD1 3.9Å; L143-I229 HydrophobicContact CD2-CG1 4.4Å; L147-I229 HydrophobicContact CD1-CD1 4.07Å; L147-I229 HydrophobicContact CD1-CG1 4.16Å; T153-I229 HydrophobicContact CG2-CG1 3.88Å | ||
| 230 | N | 88.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | trans | -87.7 | 153.6 | -178.6 | -56.6 | -73.3 | 0 | 0 | 0 | 111.8 | H218 L219 L232 D233 F269 | H218-N230 PolarHBondContact CE1-ND2 3.08Å; H218-N230 VanDerWaalsContact CE1-ND2 3.28Å; L219-N230 WeakPolarHBondContact O-CB 3.42Å; L219-N230 VanDerWaalsContact O-CG 3.29Å; L219-N230 PolarHBondContact O-ND2 2.72Å; N230-L232 PolarHBondContact O-N 3.41Å; N230-L232 VanDerWaalsContact O-N 3.08Å; N230-D233 WeakPolarHBondContact CB-OD2 3.5Å; N230-D233 PolarHBondContact N-OD2 2.86Å; N230-D233 PolarHBondContact ND2-OD2 2.82Å; N230-D233 PolarHBondContact O-N 3.41Å; N230-D233 VanDerWaalsContact O-N 3.16Å; N230-F269 HydrophobicContact CB-CE1 3.64Å; N230-F269 HydrophobicContact CB-CZ 3.74Å | ||
| 231 | P | 89.9 | Confident | 88.1 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.8 | -178.2 | -26.2 | 33.7 | 0 | 0 | 0 | 116.7 | Q130 F269 V271 | Q130-P231 VanDerWaalsContact NE2-C 3.29Å; Q130-P231 PolarHBondContact NE2-O 3.05Å; P231-F269 HydrophobicContact CB-CE2 4.18Å; P231-F269 HydrophobicContact CG-CD2 4.23Å; P231-F269 HydrophobicContact CG-CE2 4.07Å; P231-F269 WeakPolarHBondContact CG-O 3.48Å; P231-V271 HydrophobicContact CB-CG1 4Å |
| 232 | L | 92 | Very high | 88 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -3.5 | 179.6 | -72.3 | 179 | 0 | 0 | 0 | 113.5 | I216 L219 N230 G234 T235 Y248 I250 F269 V271 | I216-L232 WeakPolarHBondContact CB-O 3.48Å; I216-L232 HydrophobicContact CD1-CB 4.18Å; I216-L232 HydrophobicContact CD1-CD1 4.02Å; I216-L232 HydrophobicContact CD1-CD2 4.32Å; I216-L232 HydrophobicContact CD1-CG 4.42Å; I216-L232 HydrophobicContact CG2-CB 4.1Å; L219-L232 HydrophobicContact CD2-CD1 3.68Å; N230-L232 PolarHBondContact O-N 3.41Å; N230-L232 VanDerWaalsContact O-N 3.08Å; L232-G234 PolarHBondContact O-N 2.89Å; L232-T235 HydrophobicContact CD2-CG2 4.25Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 WeakPolarHBondContact O-CG2 3.45Å; L232-T235 PolarHBondContact O-N 2.8Å; L232-T235 PolarHBondContact O-OG1 2.88Å; L232-Y248 HydrophobicContact CD1-CD1 4.09Å; L232-Y248 HydrophobicContact CD1-CG 4.34Å; L232-Y248 HydrophobicContact CD2-CD1 3.87Å; L232-Y248 HydrophobicContact CD2-CE1 3.93Å; L232-I250 HydrophobicContact CD1-CD1 3.9Å; L232-F269 HydrophobicContact CD1-CE2 4.32Å; L232-F269 HydrophobicContact CG-CE2 4.24Å; L232-V271 HydrophobicContact CD1-CG2 3.98Å; L232-V271 HydrophobicContact CD2-CB 4.47Å; L232-V271 HydrophobicContact CD2-CG1 4.02Å; L232-V271 HydrophobicContact CD2-CG2 4.02Å; L232-V271 HydrophobicContact CG-CB 4.38Å; L232-V271 HydrophobicContact CG-CG1 4.24Å; L232-V271 HydrophobicContact CG-CG2 4.13Å |
| 233 | D | 90.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 128.6 | -176.6 | -67.8 | -11.2 | 0 | 0 | 0 | 110.9 | L126 H218 L219 N230 T235 | L126-D233 HydrophobicContact CD2-CB 4.02Å; H218-D233 WeakPolarHBondContact CA-OD1 3.32Å; H218-D233 IonicContact CE1-OD2 3.6Å; H218-D233 IonicContact CG-OD1 3.74Å; H218-D233 IonicContact ND1-OD1 2.62Å; H218-D233 PolarHBondContact ND1-OD1 3.28Å; H218-D233 IonicContact ND1-OD2 3.81Å; H218-D233 PolarHBondContact ND1-OD2 2.96Å; L219-D233 PolarHBondContact N-OD1 2.8Å; N230-D233 WeakPolarHBondContact CB-OD2 3.5Å; N230-D233 PolarHBondContact N-OD2 2.86Å; N230-D233 PolarHBondContact ND2-OD2 2.82Å; N230-D233 PolarHBondContact O-N 3.41Å; N230-D233 VanDerWaalsContact O-N 3.16Å; D233-T235 VanDerWaalsContact C-N 3.25Å; D233-T235 PolarHBondContact O-N 2.85Å |
| 234 | G | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 10.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q123 R127 I216 L232 | Q123-G234 WeakPolarHBondContact CG-O 3.42Å; Q123-G234 PolarHBondContact NE2-O 3.24Å; R127-G234 PolarHBondContact NE-O 3.2Å; R127-G234 PolarHBondContact NH2-O 3.33Å; I216-G234 WeakPolarHBondContact O-CA 3.33Å; I216-G234 PolarHBondContact O-N 2.78Å; L232-G234 PolarHBondContact O-N 2.89Å |
| 235 | T | 92.1 | Very high | 88.8 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 143.7 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | R215 I216 L232 D233 | R215-T235 CarbonylContact C-O 3.52Å; R215-T235 VanDerWaalsContact CA-O 3.25Å; R215-T235 WeakPolarHBondContact CA-O 3.4Å; R215-T235 WeakPolarHBondContact CG-O 3.38Å; I216-T235 WeakPolarHBondContact CB-OG1 3.42Å; I216-T235 PolarHBondContact N-O 3.43Å; I216-T235 PolarHBondContact O-N 2.84Å; L232-T235 HydrophobicContact CD2-CG2 4.25Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 WeakPolarHBondContact O-CG2 3.45Å; L232-T235 PolarHBondContact O-N 2.8Å; L232-T235 PolarHBondContact O-OG1 2.88Å; D233-T235 VanDerWaalsContact C-N 3.25Å; D233-T235 PolarHBondContact O-N 2.85Å |
| 236 | E | 94.6 | Very high | 89.6 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 27% | 0.271 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.1 | -179 | -177.6 | -178.2 | -134 | 0 | 0 | 109.3 | R127 H214 R215 I238 | R127-E236 IonicContact NH2-OE2 3.41Å; H214-E236 WeakPolarHBondContact O-CA 3.16Å; R215-E236 HydrophobicContact CG-CB 4.37Å; E236-I238 HydrophobicContact CG-CD1 3.98Å; E236-I238 HydrophobicContact CG-CG1 4.45Å |
| 237 | K | 95.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.4 | 176.4 | -62.8 | -67.1 | -176 | 167.6 | 0 | 109 | S213 H214 Y246 Y248 E273 | S213-K237 CarbonylContact C-O 3.57Å; S213-K237 VanDerWaalsContact CA-O 3.23Å; S213-K237 WeakPolarHBondContact CA-O 3.45Å; H214-K237 PolarHBondContact N-O 3.39Å; H214-K237 PolarHBondContact O-N 2.81Å; K237-Y246 HydrophobicContact CB-CD1 4.49Å; K237-Y246 HydrophobicContact CB-CE1 3.85Å; K237-Y246 HydrophobicContact CD-CE1 4.39Å; K237-Y246 HydrophobicContact CG-CD1 4.43Å; K237-Y246 HydrophobicContact CG-CE1 4.11Å; K237-Y248 WeakPolarHBondContact CG-OH 3.33Å; K237-E273 WeakPolarHBondContact CE-OE2 3.41Å; K237-E273 IonicContact NZ-OE2 3Å; K237-E273 PolarHBondContact NZ-OE2 3.38Å |
| 238 | I | 95.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 37.3 Ų | 37.3 | 43% | 0.426 | 18% | 0.182 | S | C | . | . | trans | -111.4 | 134.8 | 177.6 | -52.6 | -58.7 | 0 | 0 | 0 | 108.5 | F113 E236 | F113-I238 HydrophobicContact CE1-CD1 3.48Å; F113-I238 VanDerWaalsContact CE1-CD1 3.48Å; F113-I238 HydrophobicContact CZ-CD1 3.76Å; E236-I238 HydrophobicContact CG-CD1 3.98Å; E236-I238 HydrophobicContact CG-CG1 4.45Å | ||
| 239 | T | 94.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | trans | -128.1 | 144.5 | 173.4 | 178 | 0 | 0 | 0 | 0 | 110.6 | F212 S213 N241 Q244 Y246 | F212-T239 HydrophobicContact CB-CG2 4.41Å; S213-T239 PolarHBondContact OG-N 2.98Å; S213-T239 PolarHBondContact OG-O 3.41Å; T239-N241 PolarHBondContact OG1-N 3.04Å; T239-N241 PolarHBondContact OG1-O 2.74Å; T239-Q244 HydrophobicContact CG2-CB 4.01Å; T239-Q244 HydrophobicContact CG2-CG 4.29Å; T239-Y246 WeakPolarHBondContact CB-OH 3.42Å; T239-Y246 HydrophobicContact CG2-CE2 4.29Å | ||
| 240 | Y | 91.8 | Very high | 93.3 | Very high | 208 Ų | 208 | 38.6 Ų | 38.6 | 82% | 0.816 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -101.7 | -7.8 | 169.6 | -53.7 | -76.7 | 0 | 0 | 0 | 112 | ||
| 241 | N | 91.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | trans | -97 | 129.1 | 177.1 | -67.3 | -60 | 0 | 0 | 0 | 110.3 | T239 N243 V277 | T239-N241 PolarHBondContact OG1-N 3.04Å; T239-N241 PolarHBondContact OG1-O 2.74Å; N241-N243 VanDerWaalsContact C-N 3.29Å; N241-N243 PolarHBondContact O-N 3.05Å; N241-V277 HydrophobicContact CB-CG1 4.4Å; N241-V277 HydrophobicContact CB-CG2 4.34Å | ||
| 242 | N | 90.4 | Very high | 93.9 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -27.1 | -179.8 | -69.6 | 13.6 | 0 | 0 | 0 | 112.9 | H207 Y210 F212 | H207-N242 PolarHBondContact O-ND2 3.15Å; Y210-N242 WeakPolarHBondContact CB-O 3.35Å; Y210-N242 WeakPolarHBondContact O-CA 3.19Å; Y210-N242 VanDerWaalsContact O-CG 3.29Å; Y210-N242 PolarHBondContact O-OD1 3.34Å; F212-N242 WeakPolarHBondContact CE2-O 3.41Å |
| 243 | N | 90.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 41 Ų | 41 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 38.6 | -178.5 | -64.5 | -28.6 | 0 | 0 | 0 | 112.4 | N241 I278 | N241-N243 VanDerWaalsContact C-N 3.29Å; N241-N243 PolarHBondContact O-N 3.05Å; N243-I278 HydrophobicContact CB-CB 4.27Å; N243-I278 WeakPolarHBondContact CB-O 3.43Å; N243-I278 WeakPolarHBondContact O-CB 3.3Å; N243-I278 PolarHBondContact O-N 2.9Å |
| 244 | Q | 93.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.1 | 178.1 | -169.4 | 67.1 | 20.4 | 0 | 0 | 111.4 | F212 T239 Y246 S288 G289 | F212-Q244 WeakPolarHBondContact CD2-O 3.37Å; T239-Q244 HydrophobicContact CG2-CB 4.01Å; T239-Q244 HydrophobicContact CG2-CG 4.29Å; Q244-Y246 HydrophobicContact CB-CE2 4.23Å; Q244-Y246 HydrophobicContact CG-CD2 3.98Å; Q244-Y246 HydrophobicContact CG-CE1 4.23Å; Q244-Y246 HydrophobicContact CG-CE2 3.41Å; Q244-Y246 VanDerWaalsContact CG-CE2 3.41Å; Q244-S288 WeakPolarHBondContact O-CA 3.18Å; Q244-S288 WeakPolarHBondContact O-CB 3.48Å; Q244-G289 PolarHBondContact O-N 3.12Å; Q244-G289 VanDerWaalsContact O-N 3.11Å |
| 245 | M | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 172.4 | -171.4 | -168.2 | 70.6 | 0 | 0 | 109.9 | Q247 E275 R276 I278 V287 G289 F291 | M245-Q247 HydrophobicContact CE-CG 3.69Å; M245-Q247 HydrophobicContact CG-CG 4.27Å; M245-Q247 HydrophobicContact SD-CG 4.24Å; M245-E275 WeakPolarHBondContact O-CA 3.45Å; M245-R276 HydrophobicContact CB-CG 4.4Å; M245-R276 HydrophobicContact CE-CG 3.47Å; M245-R276 VanDerWaalsContact CE-CG 3.47Å; M245-R276 PolarHBondContact N-O 2.81Å; M245-R276 PolarHBondContact O-N 3.05Å; M245-I278 HydrophobicContact CB-CD1 3.98Å; M245-I278 HydrophobicContact CB-CG1 4.05Å; M245-I278 HydrophobicContact SD-CD1 4.2Å; M245-V287 WeakPolarHBondContact CG-O 3.47Å; M245-G289 WeakPolarHBondContact CA-O 3.39Å; M245-F291 HydrophobicContact CG-CD2 3.8Å; M245-F291 HydrophobicContact CG-CE2 3.69Å; M245-F291 HydrophobicContact SD-CD2 4.41Å; M245-F291 HydrophobicContact SD-CE2 4.26Å |
| 246 | Y | 96.9 | Very high | 94 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.5 | 173.9 | -66.6 | -77.4 | 0 | 0 | 0 | 110.1 | F212 H214 K237 T239 Q244 E275 G289 I290 F291 | F212-Y246 HydrophobicContact CB-CD2 4.31Å; F212-Y246 HydrophobicContact CB-CE2 4.23Å; F212-Y246 WeakPolarHBondContact O-CE2 3.12Å; H214-Y246 AromaticContact CE1-CD2 3.45Å; H214-Y246 VanDerWaalsContact CE1-CD2 3.45Å; H214-Y246 WeakPolarHBondContact CE1-CD2 3.16Å; H214-Y246 AromaticContact CE1-CE2 3.83Å; H214-Y246 AromaticContact CE1-CG 3.54Å; H214-Y246 AromaticContact ND1-CD2 3.8Å; H214-Y246 AromaticContact ND1-CE2 3.93Å; K237-Y246 HydrophobicContact CB-CD1 4.49Å; K237-Y246 HydrophobicContact CB-CE1 3.85Å; K237-Y246 HydrophobicContact CD-CE1 4.39Å; K237-Y246 HydrophobicContact CG-CD1 4.43Å; K237-Y246 HydrophobicContact CG-CE1 4.11Å; T239-Y246 WeakPolarHBondContact CB-OH 3.42Å; T239-Y246 HydrophobicContact CG2-CE2 4.29Å; Q244-Y246 HydrophobicContact CB-CE2 4.23Å; Q244-Y246 HydrophobicContact CG-CD2 3.98Å; Q244-Y246 HydrophobicContact CG-CE1 4.23Å; Q244-Y246 HydrophobicContact CG-CE2 3.41Å; Q244-Y246 VanDerWaalsContact CG-CE2 3.41Å; Y246-E275 HydrophobicContact CD1-CB 3.93Å; Y246-E275 HydrophobicContact CE1-CB 4.05Å; Y246-G289 PolarHBondContact N-O 3.26Å; Y246-I290 HydrophobicContact CD2-CG1 4.33Å; Y246-F291 PolarHBondContact O-N 3.44Å |
| 247 | Q | 96.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.9 | 178.1 | -58.2 | -174.1 | -68.3 | 0 | 0 | 110.2 | M245 F249 E273 R274 F291 | M245-Q247 HydrophobicContact CE-CG 3.69Å; M245-Q247 HydrophobicContact CG-CG 4.27Å; M245-Q247 HydrophobicContact SD-CG 4.24Å; Q247-F249 HydrophobicContact CB-CE2 3.9Å; Q247-F249 HydrophobicContact CB-CZ 4.25Å; Q247-E273 CarbonylContact O-C 3.5Å; Q247-E273 WeakPolarHBondContact O-CA 3.46Å; Q247-R274 HydrophobicContact CB-CB 4.34Å; Q247-R274 PolarHBondContact N-O 3.13Å; Q247-R274 PolarHBondContact O-N 3.32Å; Q247-F291 CarbonylContact C-O 3.56Å; Q247-F291 VanDerWaalsContact CA-O 3.31Å; Q247-F291 WeakPolarHBondContact CA-O 2.98Å; Q247-F291 HydrophobicContact CG-CB 4.21Å; Q247-F291 HydrophobicContact CG-CD2 4.39Å |
| 248 | Y | 97.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.1 | 173.2 | -59.7 | -80.3 | 0 | 0 | 0 | 107.5 | H214 I216 L232 K237 V271 E273 I290 F291 V292 K293 | H214-Y248 PolarHBondContact CE1-OH 3.48Å; H214-Y248 AromaticContact NE2-CE2 3.51Å; H214-Y248 AromaticContact NE2-CZ 3.5Å; H214-Y248 PolarHBondContact NE2-OH 2.89Å; I216-Y248 HydrophobicContact CD1-CE1 4.36Å; I216-Y248 HydrophobicContact CD1-CE2 4.11Å; L232-Y248 HydrophobicContact CD1-CD1 4.09Å; L232-Y248 HydrophobicContact CD1-CG 4.34Å; L232-Y248 HydrophobicContact CD2-CD1 3.87Å; L232-Y248 HydrophobicContact CD2-CE1 3.93Å; K237-Y248 WeakPolarHBondContact CG-OH 3.33Å; Y248-V271 HydrophobicContact CD1-CG2 4.14Å; Y248-E273 HydrophobicContact CD1-CG 3.78Å; Y248-E273 HydrophobicContact CE1-CG 3.79Å; Y248-I290 HydrophobicContact CD2-CG2 4.27Å; Y248-I290 HydrophobicContact CE2-CG2 3.9Å; Y248-F291 PolarHBondContact N-O 2.92Å; Y248-V292 HydrophobicContact CD2-CG2 4.05Å; Y248-K293 PolarHBondContact O-N 3.41Å |
| 249 | F | 97.2 | Very high | 92.7 | Very high | 77 Ų | 77 | 41 Ų | 41 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 110.6 | 172.9 | -60.9 | -88.4 | 0 | 0 | 0 | 107.8 | Q247 V271 T272 R274 K293 | Q247-F249 HydrophobicContact CB-CE2 3.9Å; Q247-F249 HydrophobicContact CB-CZ 4.25Å; F249-V271 CarbonylContact O-C 3.58Å; F249-V271 WeakPolarHBondContact O-CA 3.42Å; F249-T272 PolarHBondContact N-O 2.93Å; F249-T272 PolarHBondContact O-N 3.23Å; F249-R274 HydrophobicContact CE2-CB 4.01Å; F249-K293 CarbonylContact C-O 3.52Å; F249-K293 WeakPolarHBondContact CA-O 3.48Å; F249-K293 HydrophobicContact CD1-CB 4.23Å; F249-K293 HydrophobicContact CD1-CD 4.17Å; F249-K293 HydrophobicContact CE1-CD 3.75Å |
| 250 | I | 96.4 | Very high | 92 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.3 | -174.5 | -63.1 | -175.9 | 0 | 0 | 0 | 109.3 | L219 F221 L232 V252 F269 S270 V271 V292 K293 Y294 D295 | L219-I250 HydrophobicContact CD2-CD1 3.5Å; F221-I250 HydrophobicContact CE2-CD1 4.11Å; F221-I250 HydrophobicContact CE2-CG2 3.84Å; F221-I250 HydrophobicContact CZ-CD1 4.16Å; F221-I250 HydrophobicContact CZ-CG2 4.06Å; L232-I250 HydrophobicContact CD1-CD1 3.9Å; I250-V252 HydrophobicContact CG2-CG2 3.84Å; I250-F269 HydrophobicContact CD1-CD2 4.34Å; I250-F269 HydrophobicContact CD1-CE2 4.18Å; I250-F269 HydrophobicContact CG1-CD2 4.4Å; I250-F269 HydrophobicContact CG2-CB 3.61Å; I250-F269 HydrophobicContact CG2-CD2 3.58Å; I250-F269 HydrophobicContact CG2-CE2 4.4Å; I250-F269 HydrophobicContact CG2-CG 3.76Å; I250-S270 VanDerWaalsContact CA-O 3.3Å; I250-S270 WeakPolarHBondContact CA-O 3.49Å; I250-V271 HydrophobicContact CG1-CB 4.47Å; I250-V271 HydrophobicContact CG1-CG2 3.98Å; I250-V292 HydrophobicContact CD1-CG1 3.48Å; I250-V292 VanDerWaalsContact CD1-CG1 3.48Å; I250-V292 HydrophobicContact CG1-CG1 4.31Å; I250-K293 PolarHBondContact N-O 2.88Å; I250-Y294 CarbonylContact O-C 3.52Å; I250-Y294 VanDerWaalsContact O-CA 3.28Å; I250-Y294 WeakPolarHBondContact O-CA 3.28Å; I250-D295 PolarHBondContact O-N 2.83Å |
| 251 | T | 95.6 | Very high | 91.3 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111.6 | 168.5 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | F269 S270 D295 | T251-F269 WeakPolarHBondContact O-CA 3.46Å; T251-F269 WeakPolarHBondContact O-CB 3.38Å; T251-S270 PolarHBondContact N-O 2.85Å; T251-S270 PolarHBondContact O-N 2.77Å; T251-S270 VanDerWaalsContact O-N 3.1Å; T251-D295 CarbonylContact C-O 3.54Å; T251-D295 WeakPolarHBondContact CA-O 3.35Å |
| 252 | V | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.9 | -176.6 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | F221 I250 H267 D295 S297 | F221-V252 HydrophobicContact CB-CG1 3.97Å; F221-V252 HydrophobicContact CD1-CG1 4.41Å; F221-V252 HydrophobicContact CD1-CG2 3.91Å; F221-V252 HydrophobicContact CD2-CG2 4.08Å; F221-V252 HydrophobicContact CE1-CG2 3.89Å; F221-V252 HydrophobicContact CE2-CG2 4.07Å; F221-V252 HydrophobicContact CG-CG1 4.1Å; F221-V252 HydrophobicContact CG-CG2 4Å; F221-V252 HydrophobicContact CZ-CG2 3.97Å; I250-V252 HydrophobicContact CG2-CG2 3.84Å; V252-H267 HydrophobicContact CG1-CB 3.59Å; V252-D295 PolarHBondContact N-O 2.76Å; V252-S297 WeakPolarHBondContact O-CB 3.31Å; V252-S297 PolarHBondContact O-N 2.86Å |
| 253 | V | 93.6 | Very high | 90.5 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.6 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | T255 H267 Q268 V301 | V253-T255 PolarHBondContact O-N 2.68Å; V253-T255 PolarHBondContact O-OG1 3.41Å; V253-H267 WeakPolarHBondContact O-CA 3.45Å; V253-Q268 PolarHBondContact N-O 2.79Å; V253-Q268 PolarHBondContact O-N 2.81Å; V253-V301 HydrophobicContact CG1-CG2 3.91Å |
| 254 | P | 93.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 130.7 | 174.5 | -24.3 | 33.5 | 0 | 0 | 0 | 111.5 | D67 M300 V301 | D67-P254 WeakPolarHBondContact OD2-CG 3.15Å; P254-M300 HydrophobicContact CB-CB 4.37Å; P254-M300 HydrophobicContact CB-CG 4.12Å; P254-M300 CarbonylContact O-C 3.39Å; P254-M300 WeakPolarHBondContact O-CA 3.3Å; P254-V301 PolarHBondContact O-N 2.74Å |
| 255 | T | 90.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 112.3 | -177.3 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | V253 T266 Q268 V301 V303 | V253-T255 PolarHBondContact O-N 2.68Å; V253-T255 PolarHBondContact O-OG1 3.41Å; T255-T266 CarbonylContact C-O 3.59Å; T255-T266 WeakPolarHBondContact CA-O 3.45Å; T255-T266 PolarHBondContact N-O 3.4Å; T255-T266 CarbonylContact O-C 3.45Å; T255-T266 WeakPolarHBondContact O-CA 3.37Å; T255-T266 PolarHBondContact O-N 2.99Å; T255-T266 PolarHBondContact O-OG1 3.01Å; T255-Q268 VanDerWaalsContact CG2-NE2 3.31Å; T255-Q268 PolarHBondContact OG1-NE2 2.79Å; T255-V301 CarbonylContact C-O 3.52Å; T255-V301 WeakPolarHBondContact CA-O 3.38Å; T255-V301 HydrophobicContact CG2-CB 4.42Å; T255-V303 HydrophobicContact CG2-CG2 3.74Å |
| 256 | K | 90.1 | Very high | 89.8 | Confident | 88 Ų | 88 | 45 Ų | 45 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 114.3 | 175.1 | -65.4 | -164 | 167.9 | 178.8 | 0 | 109.8 | D265 M300 V301 T302 V303 | K256-D265 WeakPolarHBondContact CG-OD1 3.37Å; K256-M300 HydrophobicContact CD-CE 4.2Å; K256-M300 HydrophobicContact CD-SD 3.7Å; K256-M300 VanDerWaalsContact CE-SD 3.55Å; K256-M300 HydrophobicContact CG-CG 4.46Å; K256-M300 HydrophobicContact CG-SD 3.78Å; K256-V301 PolarHBondContact N-O 2.94Å; K256-T302 HydrophobicContact CB-CG2 4.48Å; K256-V303 PolarHBondContact O-N 2.84Å |
| 257 | L | 87.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.2 | 175.6 | -172.3 | 74.7 | 0 | 0 | 0 | 108.8 | Y144 V225 T259 I262 S263 A264 V303 | Y144-L257 HydrophobicContact CD1-CD1 4.4Å; Y144-L257 HydrophobicContact CE1-CD1 3.93Å; Y144-L257 HydrophobicContact CE1-CD2 4.39Å; V225-L257 HydrophobicContact CG1-CD2 4.09Å; L257-T259 HydrophobicContact CD1-CG2 4Å; L257-T259 HydrophobicContact CD2-CG2 4.46Å; L257-T259 HydrophobicContact CG-CG2 4.03Å; L257-I262 HydrophobicContact CD2-CG2 4.36Å; L257-S263 VanDerWaalsContact O-CA 3.25Å; L257-S263 WeakPolarHBondContact O-CA 3.4Å; L257-A264 PolarHBondContact N-O 2.79Å; L257-A264 PolarHBondContact O-N 2.88Å; L257-V303 HydrophobicContact CD1-CB 4.11Å; L257-V303 HydrophobicContact CD1-CG1 3.94Å |
| 258 | N | 87.9 | Confident | 89.3 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 94.2 | 174.4 | -172.1 | 14.3 | 0 | 0 | 0 | 109.8 | V303 S304 E305 | N258-V303 PolarHBondContact N-O 2.82Å; N258-S304 WeakPolarHBondContact O-CA 3.45Å; N258-E305 PolarHBondContact O-N 2.8Å; N258-E305 VanDerWaalsContact O-N 3.07Å |
| 259 | T | 83.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | trans | -115.5 | 167.1 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | M60 L257 L261 I262 E305 | M60-T259 HydrophobicContact CE-CG2 4.05Å; L257-T259 HydrophobicContact CD1-CG2 4Å; L257-T259 HydrophobicContact CD2-CG2 4.46Å; L257-T259 HydrophobicContact CG-CG2 4.03Å; T259-L261 PolarHBondContact O-N 3.23Å; T259-L261 VanDerWaalsContact O-N 3.14Å; T259-I262 PolarHBondContact N-O 2.76Å; T259-I262 PolarHBondContact OG1-N 3.35Å; T259-I262 PolarHBondContact OG1-O 2.84Å; T259-E305 HydrophobicContact CG2-CB 4.4Å | ||
| 260 | H | 78.5 | Confident | 88.9 | Confident | 142 Ų | 142 | 48 Ų | 48 | 66% | 0.657 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -60.8 | -23.5 | 177.9 | -78.1 | -66.5 | 0 | 0 | 0 | 114.1 | E305 | H260-E305 IonicContact CD2-OE2 2.72Å; H260-E305 PolarHBondContact CD2-OE2 2.88Å; H260-E305 IonicContact CG-OE2 3.73Å; H260-E305 PolarHBondContact N-OE2 2.77Å |
| 261 | L | 77.5 | Confident | 88.8 | Confident | 152 Ų | 152 | 49.2 Ų | 49.2 | 80% | 0.796 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -103.3 | -39 | -176.1 | -162.7 | 80.3 | 0 | 0 | 0 | 112.8 | T259 | T259-L261 PolarHBondContact O-N 3.23Å; T259-L261 VanDerWaalsContact O-N 3.14Å |
| 262 | I | 79.7 | Confident | 88.8 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | trans | -133.6 | 130.2 | -169.7 | -60.3 | 171 | 0 | 0 | 0 | 109.4 | L148 L257 T259 A264 | L148-I262 HydrophobicContact CD2-CD1 3.73Å; L257-I262 HydrophobicContact CD2-CG2 4.36Å; T259-I262 PolarHBondContact N-O 2.76Å; T259-I262 PolarHBondContact OG1-N 3.35Å; T259-I262 PolarHBondContact OG1-O 2.84Å; I262-A264 HydrophobicContact CG2-CB 4.06Å | ||
| 263 | S | 86.7 | Confident | 88.8 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 108 | L257 | L257-S263 VanDerWaalsContact O-CA 3.25Å; L257-S263 WeakPolarHBondContact O-CA 3.4Å |
| 264 | A | 86.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V225 L257 I262 T266 | V225-A264 HydrophobicContact CG2-CB 3.6Å; L257-A264 PolarHBondContact N-O 2.79Å; L257-A264 PolarHBondContact O-N 2.88Å; I262-A264 HydrophobicContact CG2-CB 4.06Å; A264-T266 HydrophobicContact CB-CG2 4.19Å; A264-T266 PolarHBondContact O-N 3Å |
| 265 | D | 87.9 | Confident | 89 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 98.5 | 173.7 | -71 | -29.4 | 0 | 0 | 0 | 109.1 | E223 K256 | E223-D265 PolarHBondContact N-O 3.3Å; K256-D265 WeakPolarHBondContact CG-OD1 3.37Å |
| 266 | T | 89.5 | Confident | 89.2 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 170.8 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | V225 I228 T255 A264 | V225-T266 HydrophobicContact CB-CG2 4.14Å; V225-T266 HydrophobicContact CG2-CG2 3.35Å; I228-T266 HydrophobicContact CD1-CG2 4.11Å; T255-T266 CarbonylContact C-O 3.59Å; T255-T266 WeakPolarHBondContact CA-O 3.45Å; T255-T266 PolarHBondContact N-O 3.4Å; T255-T266 CarbonylContact O-C 3.45Å; T255-T266 WeakPolarHBondContact O-CA 3.37Å; T255-T266 PolarHBondContact O-N 2.99Å; T255-T266 PolarHBondContact O-OG1 3.01Å; A264-T266 HydrophobicContact CB-CG2 4.19Å; A264-T266 PolarHBondContact O-N 3Å |
| 267 | H | 91.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.4 | 169.8 | -57.1 | 66.7 | 0 | 0 | 0 | 109.4 | F221 G222 V252 V253 | F221-H267 HydrophobicContact CB-CB 3.71Å; F221-H267 WeakPolarHBondContact O-CB 3.15Å; F221-H267 PolarHBondContact O-N 2.78Å; F221-H267 VanDerWaalsContact O-N 3.13Å; F221-H267 PolarHBondContact O-ND1 2.69Å; G222-H267 WeakPolarHBondContact CA-ND1 3.45Å; V252-H267 HydrophobicContact CG1-CB 3.59Å; V253-H267 WeakPolarHBondContact O-CA 3.45Å |
| 268 | Q | 90.7 | Very high | 89.5 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 157.8 | 167.3 | -68.6 | 176.6 | 83.4 | 0 | 0 | 108.2 | V253 T255 | V253-Q268 PolarHBondContact N-O 2.79Å; V253-Q268 PolarHBondContact O-N 2.81Å; T255-Q268 VanDerWaalsContact CG2-NE2 3.31Å; T255-Q268 PolarHBondContact OG1-NE2 2.79Å |
| 269 | F | 92.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.6 | 173.2 | 67.2 | -91.7 | 0 | 0 | 0 | 112.5 | L219 F221 N230 P231 L232 I250 T251 | L219-F269 HydrophobicContact CD2-CZ 4.41Å; L219-F269 WeakPolarHBondContact O-CE1 3.44Å; F221-F269 AromaticContact CD2-CD1 3.65Å; F221-F269 HydrophobicContact CD2-CD1 3.65Å; F221-F269 AromaticContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CG 4.25Å; F221-F269 AromaticContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CE1 4.12Å; F221-F269 HydrophobicContact CE2-CG 4.23Å; N230-F269 HydrophobicContact CB-CE1 3.64Å; N230-F269 HydrophobicContact CB-CZ 3.74Å; P231-F269 HydrophobicContact CB-CE2 4.18Å; P231-F269 HydrophobicContact CG-CD2 4.23Å; P231-F269 HydrophobicContact CG-CE2 4.07Å; P231-F269 WeakPolarHBondContact CG-O 3.48Å; L232-F269 HydrophobicContact CD1-CE2 4.32Å; L232-F269 HydrophobicContact CG-CE2 4.24Å; I250-F269 HydrophobicContact CD1-CD2 4.34Å; I250-F269 HydrophobicContact CD1-CE2 4.18Å; I250-F269 HydrophobicContact CG1-CD2 4.4Å; I250-F269 HydrophobicContact CG2-CB 3.61Å; I250-F269 HydrophobicContact CG2-CD2 3.58Å; I250-F269 HydrophobicContact CG2-CE2 4.4Å; I250-F269 HydrophobicContact CG2-CG 3.76Å; T251-F269 WeakPolarHBondContact O-CA 3.46Å; T251-F269 WeakPolarHBondContact O-CB 3.38Å |
| 270 | S | 92.7 | Very high | 89.6 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 154.1 | 166.4 | 65.7 | 0 | 0 | 0 | 0 | 109.4 | I250 T251 | I250-S270 VanDerWaalsContact CA-O 3.3Å; I250-S270 WeakPolarHBondContact CA-O 3.49Å; T251-S270 PolarHBondContact N-O 2.85Å; T251-S270 PolarHBondContact O-N 2.77Å; T251-S270 VanDerWaalsContact O-N 3.1Å |
| 271 | V | 94.7 | Very high | 89.9 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.7 | -179.2 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | P231 L232 Y248 F249 I250 E273 | P231-V271 HydrophobicContact CB-CG1 4Å; L232-V271 HydrophobicContact CD1-CG2 3.98Å; L232-V271 HydrophobicContact CD2-CB 4.47Å; L232-V271 HydrophobicContact CD2-CG1 4.02Å; L232-V271 HydrophobicContact CD2-CG2 4.02Å; L232-V271 HydrophobicContact CG-CB 4.38Å; L232-V271 HydrophobicContact CG-CG1 4.24Å; L232-V271 HydrophobicContact CG-CG2 4.13Å; Y248-V271 HydrophobicContact CD1-CG2 4.14Å; F249-V271 CarbonylContact O-C 3.58Å; F249-V271 WeakPolarHBondContact O-CA 3.42Å; I250-V271 HydrophobicContact CG1-CB 4.47Å; I250-V271 HydrophobicContact CG1-CG2 3.98Å; V271-E273 HydrophobicContact CG2-CG 4.48Å |
| 272 | T | 95.6 | Very high | 90.4 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.5 | 166 | -57.5 | 0 | 0 | 0 | 0 | 109 | F249 | F249-T272 PolarHBondContact N-O 2.93Å; F249-T272 PolarHBondContact O-N 3.23Å |
| 273 | E | 95.4 | Very high | 90.5 | Very high | 83 Ų | 83 | 65 Ų | 65 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 140 | -175.6 | -55.6 | -179.3 | -170.5 | 0 | 0 | 110.9 | K237 Q247 Y248 V271 | K237-E273 WeakPolarHBondContact CE-OE2 3.41Å; K237-E273 IonicContact NZ-OE2 3Å; K237-E273 PolarHBondContact NZ-OE2 3.38Å; Q247-E273 CarbonylContact O-C 3.5Å; Q247-E273 WeakPolarHBondContact O-CA 3.46Å; Y248-E273 HydrophobicContact CD1-CG 3.78Å; Y248-E273 HydrophobicContact CE1-CG 3.79Å; V271-E273 HydrophobicContact CG2-CG 4.48Å |
| 274 | R | 95.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 61.8 Ų | 61.8 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.6 | 171 | -172.6 | 174 | 84 | 163.1 | 6.1 | 110.2 | Q247 F249 | Q247-R274 HydrophobicContact CB-CB 4.34Å; Q247-R274 PolarHBondContact N-O 3.13Å; Q247-R274 PolarHBondContact O-N 3.32Å; F249-R274 HydrophobicContact CE2-CB 4.01Å |
| 275 | E | 94.8 | Very high | 90.4 | Very high | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.2 | 176.1 | 64.1 | -174.1 | -169.5 | 0 | 0 | 110.5 | M245 Y246 | M245-E275 WeakPolarHBondContact O-CA 3.45Å; Y246-E275 HydrophobicContact CD1-CB 3.93Å; Y246-E275 HydrophobicContact CE1-CB 4.05Å |
| 276 | R | 93.6 | Very high | 90.2 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.4 | 169.9 | 61.4 | 167.5 | -173.7 | 128 | 3.1 | 111.6 | M245 I278 S284 H285 | M245-R276 HydrophobicContact CB-CG 4.4Å; M245-R276 HydrophobicContact CE-CG 3.47Å; M245-R276 VanDerWaalsContact CE-CG 3.47Å; M245-R276 PolarHBondContact N-O 2.81Å; M245-R276 PolarHBondContact O-N 3.05Å; R276-I278 HydrophobicContact CG-CD1 4.42Å; R276-S284 PolarHBondContact NH1-OG 2.95Å; R276-S284 VanDerWaalsContact NH1-OG 3.09Å; R276-H285 PolarHBondContact NH1-O 3.05Å; R276-H285 PolarHBondContact NH2-O 3.1Å |
| 277 | V | 92.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.9 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | N241 S284 | N241-V277 HydrophobicContact CB-CG1 4.4Å; N241-V277 HydrophobicContact CB-CG2 4.34Å; V277-S284 PolarHBondContact O-OG 2.77Å |
| 278 | I | 90.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | trans | -86 | 124.8 | 173.6 | -54.8 | -54.1 | 0 | 0 | 0 | 108.9 | N243 M245 R276 S284 G286 | N243-I278 HydrophobicContact CB-CB 4.27Å; N243-I278 WeakPolarHBondContact CB-O 3.43Å; N243-I278 WeakPolarHBondContact O-CB 3.3Å; N243-I278 PolarHBondContact O-N 2.9Å; M245-I278 HydrophobicContact CB-CD1 3.98Å; M245-I278 HydrophobicContact CB-CG1 4.05Å; M245-I278 HydrophobicContact SD-CD1 4.2Å; R276-I278 HydrophobicContact CG-CD1 4.42Å; I278-S284 WeakPolarHBondContact CG2-O 3.41Å; I278-G286 WeakPolarHBondContact CG2-O 3.36Å | ||
| 279 | N | 88.4 | Confident | 90.3 | Very high | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -144.6 | 98.2 | 177.2 | -175.5 | -12.8 | 0 | 0 | 0 | 109.2 | A281 A282 G283 S284 | N279-A281 PolarHBondContact O-N 3.47Å; N279-A281 WeakPolarHBondContact OD1-CB 3.35Å; N279-A281 PolarHBondContact OD1-N 2.88Å; N279-A282 HydrophobicContact CB-CB 4.1Å; N279-A282 PolarHBondContact O-N 3.02Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 2.96Å; N279-G283 PolarHBondContact O-N 2.82Å; N279-S284 CarbonylContact C-O 3.43Å; N279-S284 VanDerWaalsContact C-O 3.24Å; N279-S284 PolarHBondContact N-O 2.85Å; N279-S284 CarbonylContact O-C 3.57Å; N279-S284 WeakPolarHBondContact O-CA 3.44Å; N279-S284 WeakPolarHBondContact O-CB 3.43Å; N279-S284 PolarHBondContact O-N 2.04Å |
| 280 | H | 85.9 | Confident | 90.4 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -61.7 | -29.8 | -178.9 | -67.1 | 80.8 | 0 | 0 | 0 | 112.7 | G283 H285 | H280-G283 PolarHBondContact O-N 2.8Å; H280-H285 AromaticContact CD2-ND1 3.43Å; H280-H285 PolarHBondContact CD2-ND1 3Å |
| 281 | A | 85.6 | Confident | 90.6 | Very high | 99 Ų | 99 | 63 Ų | 63 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -74.6 | -28 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N279 | N279-A281 PolarHBondContact O-N 3.47Å; N279-A281 WeakPolarHBondContact OD1-CB 3.35Å; N279-A281 PolarHBondContact OD1-N 2.88Å |
| 282 | A | 86.3 | Confident | 90.6 | Very high | 76 Ų | 76 | 62 Ų | 62 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -94 | 12.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N279 S284 | N279-A282 HydrophobicContact CB-CB 4.1Å; N279-A282 PolarHBondContact O-N 3.02Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 2.96Å; A282-S284 VanDerWaalsContact C-N 3.28Å; A282-S284 PolarHBondContact O-N 2.9Å |
| 283 | G | 82.9 | Confident | 90.6 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N279 H280 H285 | N279-G283 PolarHBondContact O-N 2.82Å; H280-G283 PolarHBondContact O-N 2.8Å; G283-H285 PolarHBondContact O-CD2 2.96Å; G283-H285 PolarHBondContact O-N 2.74Å; G283-H285 VanDerWaalsContact O-N 3.17Å |
| 284 | S | 84.9 | Confident | 90.6 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 81.8 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | R276 V277 I278 N279 A282 | R276-S284 PolarHBondContact NH1-OG 2.95Å; R276-S284 VanDerWaalsContact NH1-OG 3.09Å; V277-S284 PolarHBondContact O-OG 2.77Å; I278-S284 WeakPolarHBondContact CG2-O 3.41Å; N279-S284 CarbonylContact C-O 3.43Å; N279-S284 VanDerWaalsContact C-O 3.24Å; N279-S284 PolarHBondContact N-O 2.85Å; N279-S284 CarbonylContact O-C 3.57Å; N279-S284 WeakPolarHBondContact O-CA 3.44Å; N279-S284 WeakPolarHBondContact O-CB 3.43Å; N279-S284 PolarHBondContact O-N 2.04Å; A282-S284 VanDerWaalsContact C-N 3.28Å; A282-S284 PolarHBondContact O-N 2.9Å |
| 285 | H | 85.4 | Confident | 90.6 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 56% | 0.56 | 33% | 0.328 | S | S | * | . | trans | -78.1 | 146.8 | 174.6 | -60 | -70.2 | 0 | 0 | 0 | 111.5 | R276 H280 G283 | R276-H285 PolarHBondContact NH1-O 3.05Å; R276-H285 PolarHBondContact NH2-O 3.1Å; H280-H285 AromaticContact CD2-ND1 3.43Å; H280-H285 PolarHBondContact CD2-ND1 3Å; G283-H285 PolarHBondContact O-CD2 2.96Å; G283-H285 PolarHBondContact O-N 2.74Å; G283-H285 VanDerWaalsContact O-N 3.17Å | ||
| 286 | G | 84.9 | Confident | 90.5 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 155.8 | 179 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I278 | I278-G286 WeakPolarHBondContact CG2-O 3.36Š|
| 287 | V | 87.6 | Confident | 90.4 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | trans | -104.7 | 129.6 | 176 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | T187 M245 F291 | T187-V287 HydrophobicContact CG2-CG1 4.44Å; M245-V287 WeakPolarHBondContact CG-O 3.47Å; V287-F291 HydrophobicContact CB-CZ 4.21Å; V287-F291 HydrophobicContact CG1-CZ 4.26Å; V287-F291 WeakPolarHBondContact O-CE2 3.4Å | ||
| 288 | S | 91.4 | Very high | 90.4 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | trans | -74.1 | 140.4 | 172.5 | 56 | 0 | 0 | 0 | 0 | 110.1 | F212 Q244 | F212-S288 VanDerWaalsContact CE2-CB 3.46Å; F212-S288 WeakPolarHBondContact CE2-OG 3.43Å; F212-S288 WeakPolarHBondContact CZ-O 3.5Å; Q244-S288 WeakPolarHBondContact O-CA 3.18Å; Q244-S288 WeakPolarHBondContact O-CB 3.48Å | ||
| 289 | G | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | 178.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I186 F212 Q244 M245 Y246 | I186-G289 WeakPolarHBondContact O-CA 3.43Å; F212-G289 VanDerWaalsContact CE1-CA 3.49Å; Q244-G289 PolarHBondContact O-N 3.12Å; Q244-G289 VanDerWaalsContact O-N 3.11Å; M245-G289 WeakPolarHBondContact CA-O 3.39Å; Y246-G289 PolarHBondContact N-O 3.26Å |
| 290 | I | 96 | Very high | 90.6 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.3 | 174.1 | -56 | 157.3 | 0 | 0 | 0 | 106.9 | V82 H185 I186 F212 H214 Y246 Y248 | V82-I290 HydrophobicContact CG1-CD1 4.32Å; V82-I290 HydrophobicContact CG2-CD1 3.87Å; H185-I290 CarbonylContact C-O 3.59Å; H185-I290 WeakPolarHBondContact CA-O 3.41Å; I186-I290 HydrophobicContact CB-CB 4.22Å; I186-I290 PolarHBondContact N-O 2.87Å; I186-I290 PolarHBondContact O-N 3.43Å; F212-I290 HydrophobicContact CB-CG1 4.5Å; F212-I290 HydrophobicContact CD1-CG1 4.44Å; H214-I290 HydrophobicContact CB-CD1 3.58Å; H214-I290 VanDerWaalsContact CG-CD1 3.47Å; Y246-I290 HydrophobicContact CD2-CG1 4.33Å; Y248-I290 HydrophobicContact CD2-CG2 4.27Å; Y248-I290 HydrophobicContact CE2-CG2 3.9Å |
| 291 | F | 95.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.3 | -175.6 | -60.4 | -91 | 0 | 0 | 0 | 109.4 | H185 T187 M245 Y246 Q247 Y248 V287 | H185-F291 HydrophobicContact CB-CD1 3.4Å; H185-F291 VanDerWaalsContact CB-CD1 3.4Å; H185-F291 HydrophobicContact CB-CE1 3.63Å; H185-F291 HydrophobicContact CB-CG 4.34Å; T187-F291 HydrophobicContact CG2-CE1 4.24Å; T187-F291 HydrophobicContact CG2-CZ 3.96Å; M245-F291 HydrophobicContact CG-CD2 3.8Å; M245-F291 HydrophobicContact CG-CE2 3.69Å; M245-F291 HydrophobicContact SD-CD2 4.41Å; M245-F291 HydrophobicContact SD-CE2 4.26Å; Y246-F291 PolarHBondContact O-N 3.44Å; Q247-F291 CarbonylContact C-O 3.56Å; Q247-F291 VanDerWaalsContact CA-O 3.31Å; Q247-F291 WeakPolarHBondContact CA-O 2.98Å; Q247-F291 HydrophobicContact CG-CB 4.21Å; Q247-F291 HydrophobicContact CG-CD2 4.39Å; Y248-F291 PolarHBondContact N-O 2.92Å; V287-F291 HydrophobicContact CB-CZ 4.21Å; V287-F291 HydrophobicContact CG1-CZ 4.26Å; V287-F291 WeakPolarHBondContact O-CE2 3.4Å |
| 292 | V | 96.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 95.3 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | N183 L184 L219 Y248 I250 | N183-V292 WeakPolarHBondContact CA-O 3.46Å; L184-V292 HydrophobicContact CB-CB 4.11Å; L184-V292 HydrophobicContact CD2-CB 4.29Å; L184-V292 HydrophobicContact CD2-CG2 4.4Å; L184-V292 HydrophobicContact CG-CB 4.37Å; L184-V292 PolarHBondContact N-O 3.48Å; L184-V292 PolarHBondContact O-N 3.24Å; L219-V292 HydrophobicContact CD2-CG1 4.25Å; Y248-V292 HydrophobicContact CD2-CG2 4.05Å; I250-V292 HydrophobicContact CD1-CG1 3.48Å; I250-V292 VanDerWaalsContact CD1-CG1 3.48Å; I250-V292 HydrophobicContact CG1-CG1 4.31Å |
| 293 | K | 95.7 | Very high | 91.3 | Very high | 79 Ų | 79 | 39 Ų | 39 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.7 | 176.9 | -65.3 | -174.6 | 174.8 | -162.2 | 0 | 108.2 | G182 N183 Y248 F249 I250 | G182-K293 WeakPolarHBondContact O-CA 3.31Å; N183-K293 HydrophobicContact CB-CG 4.46Å; Y248-K293 PolarHBondContact O-N 3.41Å; F249-K293 CarbonylContact C-O 3.52Å; F249-K293 WeakPolarHBondContact CA-O 3.48Å; F249-K293 HydrophobicContact CD1-CB 4.23Å; F249-K293 HydrophobicContact CD1-CD 4.17Å; F249-K293 HydrophobicContact CE1-CD 3.75Å; I250-K293 PolarHBondContact N-O 2.88Å |
| 294 | Y | 95.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 144.2 | -179.6 | 60 | -91.4 | 0 | 0 | 0 | 110.5 | I76 I93 V177 V180 A181 G182 F221 I250 | I76-Y294 HydrophobicContact CD1-CD1 4.28Å; I76-Y294 HydrophobicContact CD1-CE1 3.69Å; I76-Y294 HydrophobicContact CD1-CE2 4.28Å; I93-Y294 HydrophobicContact CG2-CE1 4.44Å; V177-Y294 HydrophobicContact CG2-CE2 4.34Å; V180-Y294 WeakPolarHBondContact O-CE2 3.43Å; A181-Y294 CarbonylContact C-O 3.47Å; A181-Y294 VanDerWaalsContact CA-O 3.28Å; A181-Y294 WeakPolarHBondContact CA-O 3.42Å; G182-Y294 PolarHBondContact N-O 2.87Å; G182-Y294 PolarHBondContact O-N 3.48Å; F221-Y294 HydrophobicContact CE1-CD1 4.46Å; F221-Y294 HydrophobicContact CE1-CD2 4.48Å; F221-Y294 HydrophobicContact CE1-CG 4.11Å; F221-Y294 HydrophobicContact CZ-CG 4.46Å; I250-Y294 CarbonylContact O-C 3.52Å; I250-Y294 VanDerWaalsContact O-CA 3.28Å; I250-Y294 WeakPolarHBondContact O-CA 3.28Å |
| 295 | D | 94.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 38.3 Ų | 38.3 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.2 | 174.1 | -168.1 | 9.8 | 0 | 0 | 0 | 109.7 | A181 I250 T251 V252 | A181-D295 HydrophobicContact CB-CB 4.45Å; I250-D295 PolarHBondContact O-N 2.83Å; T251-D295 CarbonylContact C-O 3.54Å; T251-D295 WeakPolarHBondContact CA-O 3.35Å; V252-D295 PolarHBondContact N-O 2.76Å |
| 296 | T | 92.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.6 | -176.3 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | L74 K179 | L74-T296 HydrophobicContact CD2-CG2 4.18Å; K179-T296 HydrophobicContact CG-CG2 3.97Å |
| 297 | S | 92.5 | Very high | 92 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | trans | -71.4 | 146.8 | 175.1 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | V252 L299 | V252-S297 WeakPolarHBondContact O-CB 3.31Å; V252-S297 PolarHBondContact O-N 2.86Å; S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact OG-N 2.79Å | ||
| 298 | S | 91.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 53% | 0.531 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -79.5 | -8.3 | 170.2 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | D67 | D67-S298 PolarHBondContact N-O 3.2Š|
| 299 | L | 92.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 37 Ų | 37 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.9 | 174.7 | -63.3 | 169.2 | 0 | 0 | 0 | 109.4 | S297 | S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact OG-N 2.79Å |
| 300 | M | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.8 | 173.8 | 179.3 | -179.3 | 71.2 | 0 | 0 | 109.4 | Y64 E65 D67 P254 K256 | Y64-M300 WeakPolarHBondContact CA-O 3.41Å; E65-M300 HydrophobicContact CB-CE 3.89Å; E65-M300 PolarHBondContact N-O 2.83Å; E65-M300 PolarHBondContact O-N 2.9Å; E65-M300 WeakPolarHBondContact OE2-CE 3.43Å; D67-M300 HydrophobicContact CB-CB 4.13Å; P254-M300 HydrophobicContact CB-CB 4.37Å; P254-M300 HydrophobicContact CB-CG 4.12Å; P254-M300 CarbonylContact O-C 3.39Å; P254-M300 WeakPolarHBondContact O-CA 3.3Å; K256-M300 HydrophobicContact CD-CE 4.2Å; K256-M300 HydrophobicContact CD-SD 3.7Å; K256-M300 VanDerWaalsContact CE-SD 3.55Å; K256-M300 HydrophobicContact CG-CG 4.46Å; K256-M300 HydrophobicContact CG-SD 3.78Å |
| 301 | V | 91.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120 | 175.1 | -175 | 0 | 0 | 0 | 0 | 109.5 | Y62 E63 Y64 V253 P254 T255 K256 V303 | Y62-V301 HydrophobicContact CD1-CG1 4.11Å; E63-V301 CarbonylContact O-C 3.59Å; E63-V301 WeakPolarHBondContact O-CA 3.35Å; Y64-V301 HydrophobicContact CD1-CG2 3.76Å; Y64-V301 HydrophobicContact CE1-CG2 3.68Å; V253-V301 HydrophobicContact CG1-CG2 3.91Å; P254-V301 PolarHBondContact O-N 2.74Å; T255-V301 CarbonylContact C-O 3.52Å; T255-V301 WeakPolarHBondContact CA-O 3.38Å; T255-V301 HydrophobicContact CG2-CB 4.42Å; K256-V301 PolarHBondContact N-O 2.94Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å |
| 302 | T | 91.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.8 | 170.9 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | E63 K256 | E63-T302 PolarHBondContact N-O 3.11Å; E63-T302 PolarHBondContact O-N 2.87Å; K256-T302 HydrophobicContact CB-CG2 4.48Å |
| 303 | V | 88.8 | Confident | 92 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.8 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 108 | M60 Y62 T255 K256 L257 N258 V301 | M60-V303 HydrophobicContact CE-CG1 3.37Å; Y62-V303 HydrophobicContact CD1-CG1 4.43Å; Y62-V303 HydrophobicContact CD1-CG2 3.66Å; Y62-V303 HydrophobicContact CE1-CG1 4.03Å; Y62-V303 HydrophobicContact CE1-CG2 3.71Å; T255-V303 HydrophobicContact CG2-CG2 3.74Å; K256-V303 PolarHBondContact O-N 2.84Å; L257-V303 HydrophobicContact CD1-CB 4.11Å; L257-V303 HydrophobicContact CD1-CG1 3.94Å; N258-V303 PolarHBondContact N-O 2.82Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å |
| 304 | S | 89.1 | Confident | 92 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.6 | -179.4 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | K61 N258 | K61-S304 PolarHBondContact N-O 3.19Å; K61-S304 PolarHBondContact O-N 3.48Å; N258-S304 WeakPolarHBondContact O-CA 3.45Å |
| 305 | E | 87.3 | Confident | 92.1 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.3 | 170.4 | -172.4 | 175.5 | -167 | 0 | 0 | 109.8 | T58 M60 N258 T259 H260 | T58-E305 VanDerWaalsContact CB-OE1 3.3Å; T58-E305 WeakPolarHBondContact CB-OE1 3.49Å; T58-E305 HydrophobicContact CG2-CG 4.17Å; T58-E305 WeakPolarHBondContact CG2-OE1 3.42Å; T58-E305 PolarHBondContact OG1-OE1 2.93Å; M60-E305 HydrophobicContact CE-CB 4.43Å; M60-E305 HydrophobicContact SD-CB 4.17Å; M60-E305 HydrophobicContact SD-CG 4.29Å; N258-E305 PolarHBondContact O-N 2.8Å; N258-E305 VanDerWaalsContact O-N 3.07Å; T259-E305 HydrophobicContact CG2-CB 4.4Å; H260-E305 IonicContact CD2-OE2 2.72Å; H260-E305 PolarHBondContact CD2-OE2 2.88Å; H260-E305 IonicContact CG-OE2 3.73Å; H260-E305 PolarHBondContact N-OE2 2.77Å |
| 306 | Q | 87.1 | Confident | 92.1 | Very high | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.2 | 179.6 | -64.7 | -161.2 | -11.6 | 0 | 0 | 111.7 | T58 W59 K61 | T58-Q306 WeakPolarHBondContact CA-O 3.01Å; W59-Q306 HydrophobicContact CZ2-CB 4.22Å; W59-Q306 PolarHBondContact N-O 2.79Å; W59-Q306 PolarHBondContact O-N 3.36Å; K61-Q306 HydrophobicContact CB-CG 4.13Å |
| 307 | H | 89.4 | Confident | 92.3 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 156.4 | 171.4 | 70.2 | 77.5 | 0 | 0 | 0 | 110.5 | T58 A309 | T58-H307 HydrophobicContact CG2-CB 4.4Å; H307-A309 PolarHBondContact O-N 2.96Å |
| 308 | M | 90.5 | Very high | 92.4 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -66.1 | 130.9 | 169.8 | 175.9 | 158.3 | 66.2 | 0 | 0 | 110.1 | Y55 W59 R312 F313 | Y55-M308 HydrophobicContact CD2-CB 4.01Å; Y55-M308 HydrophobicContact CD2-CE 3.83Å; Y55-M308 HydrophobicContact CD2-CG 4.18Å; Y55-M308 VanDerWaalsContact CE2-O 3.27Å; Y55-M308 WeakPolarHBondContact CE2-O 3.26Å; Y55-M308 HydrophobicContact CG-CE 4.25Å; W59-M308 HydrophobicContact CH2-CB 3.84Å; W59-M308 HydrophobicContact CZ3-CB 3.91Å; M308-R312 HydrophobicContact CG-CB 4.05Å; M308-R312 HydrophobicContact CG-CG 4.32Å; M308-R312 HydrophobicContact SD-CB 4.15Å; M308-R312 HydrophobicContact SD-CG 3.92Å; M308-F313 HydrophobicContact CE-CB 3.68Å; M308-F313 HydrophobicContact CE-CD2 3.76Å; M308-F313 HydrophobicContact CE-CG 4.18Å; M308-F313 HydrophobicContact CG-CB 4.47Å; M308-F313 HydrophobicContact SD-CB 4.35Å | ||
| 309 | A | 93.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | trans | -66 | 142 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H307 G311 R312 F313 | H307-A309 PolarHBondContact O-N 2.96Å; A309-G311 VanDerWaalsContact C-N 3.27Å; A309-G311 PolarHBondContact O-N 3.37Å; A309-R312 WeakPolarHBondContact O-CB 3.49Å; A309-R312 PolarHBondContact O-N 3.03Å; A309-F313 PolarHBondContact O-N 3.01Å; A309-F313 VanDerWaalsContact O-N 3.15Å | ||
| 310 | L | 93 | Very high | 92.8 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.5 | -40.8 | -178.3 | -172.2 | 96 | 0 | 0 | 0 | 112.6 | R312 F313 L314 | L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.29Å; L310-F313 WeakPolarHBondContact O-CB 3.38Å; L310-F313 PolarHBondContact O-N 3.28Å; L310-L314 HydrophobicContact CD2-CD1 4.2Å; L310-L314 HydrophobicContact CG-CD1 4.36Å; L310-L314 WeakPolarHBondContact O-CG 3.19Å; L310-L314 PolarHBondContact O-N 3.39Å |
| 311 | G | 95.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 46% | 0.464 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A309 L314 V315 | A309-G311 VanDerWaalsContact C-N 3.27Å; A309-G311 PolarHBondContact O-N 3.37Å; G311-L314 PolarHBondContact O-N 2.88Å; G311-V315 WeakPolarHBondContact O-CG2 3.36Å; G311-V315 PolarHBondContact O-N 2.85Å; G311-V315 VanDerWaalsContact O-N 3.08Å |
| 312 | R | 94.6 | Very high | 92.9 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | 177.5 | -171.9 | 179 | -69.1 | 167.6 | -0.8 | 111.3 | M308 A309 L310 R316 | M308-R312 HydrophobicContact CG-CB 4.05Å; M308-R312 HydrophobicContact CG-CG 4.32Å; M308-R312 HydrophobicContact SD-CB 4.15Å; M308-R312 HydrophobicContact SD-CG 3.92Å; A309-R312 WeakPolarHBondContact O-CB 3.49Å; A309-R312 PolarHBondContact O-N 3.03Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.29Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.27Å; R312-R316 PolarHBondContact O-N 3.43Å; R312-R316 VanDerWaalsContact O-N 3.11Å |
| 313 | F | 95.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 172.8 | 173.2 | -116.8 | 0 | 0 | 0 | 111.9 | E51 F52 Y55 M308 A309 L310 V315 R316 L317 | E51-F313 HydrophobicContact CG-CD2 4.14Å; E51-F313 HydrophobicContact CG-CE2 3.95Å; F52-F313 HydrophobicContact CD2-CZ 4.37Å; Y55-F313 HydrophobicContact CD2-CB 3.68Å; Y55-F313 HydrophobicContact CD2-CD1 4.49Å; Y55-F313 HydrophobicContact CD2-CD2 4.15Å; Y55-F313 AromaticContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CE2-CB 4.06Å; Y55-F313 HydrophobicContact CE2-CG 4.38Å; Y55-F313 HydrophobicContact CG-CB 4.27Å; Y55-F313 HydrophobicContact CG-CD1 4.44Å; Y55-F313 AromaticContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CE2 4.33Å; Y55-F313 AromaticContact CG-CG 3.92Å; Y55-F313 HydrophobicContact CG-CG 3.92Å; M308-F313 HydrophobicContact CE-CB 3.68Å; M308-F313 HydrophobicContact CE-CD2 3.76Å; M308-F313 HydrophobicContact CE-CG 4.18Å; M308-F313 HydrophobicContact CG-CB 4.47Å; M308-F313 HydrophobicContact SD-CB 4.35Å; A309-F313 PolarHBondContact O-N 3.01Å; A309-F313 VanDerWaalsContact O-N 3.15Å; L310-F313 WeakPolarHBondContact O-CB 3.38Å; L310-F313 PolarHBondContact O-N 3.28Å; F313-V315 PolarHBondContact O-N 3.15Å; F313-R316 PolarHBondContact O-N 3.05Å; F313-L317 HydrophobicContact CE1-CD2 4.5Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 PolarHBondContact O-N 3.29Å |
| 314 | L | 95.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 45% | 0.445 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | -178.3 | -68.2 | 175.4 | 0 | 0 | 0 | 112.1 | L310 G311 R316 L317 C318 | L310-L314 HydrophobicContact CD2-CD1 4.2Å; L310-L314 HydrophobicContact CG-CD1 4.36Å; L310-L314 WeakPolarHBondContact O-CG 3.19Å; L310-L314 PolarHBondContact O-N 3.39Å; G311-L314 PolarHBondContact O-N 2.88Å; L314-R316 VanDerWaalsContact C-N 3.32Å; L314-R316 PolarHBondContact O-N 2.9Å; L314-L317 PolarHBondContact O-N 2.9Å; L314-C318 WeakPolarHBondContact O-CB 3.41Å; L314-C318 PolarHBondContact O-N 2.95Å; L314-C318 PolarHBondContact O-SG 3.09Å; L314-C318 VanDerWaalsContact O-SG 3.32Å |
| 315 | V | 96.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 66% | 0.655 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | G311 F313 C318 G319 | G311-V315 WeakPolarHBondContact O-CG2 3.36Å; G311-V315 PolarHBondContact O-N 2.85Å; G311-V315 VanDerWaalsContact O-N 3.08Å; F313-V315 PolarHBondContact O-N 3.15Å; V315-C318 PolarHBondContact O-N 2.94Å; V315-G319 PolarHBondContact O-N 3.01Å |
| 316 | R | 95.6 | Very high | 93.5 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.3 | -72.3 | 170.9 | 59.8 | 92.9 | 5.1 | 111.8 | E51 R312 F313 L314 G319 I320 | E51-R316 IonicContact OE1-CZ 3.36Å; E51-R316 IonicContact OE1-NE 3.75Å; E51-R316 PolarHBondContact OE1-NE 3.45Å; E51-R316 IonicContact OE1-NH2 3.21Å; E51-R316 PolarHBondContact OE1-NH2 2.99Å; E51-R316 IonicContact OE2-CZ 3.65Å; E51-R316 IonicContact OE2-NE 3.49Å; E51-R316 IonicContact OE2-NH2 2.79Å; E51-R316 PolarHBondContact OE2-NH2 3.45Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.27Å; R312-R316 PolarHBondContact O-N 3.43Å; R312-R316 VanDerWaalsContact O-N 3.11Å; F313-R316 PolarHBondContact O-N 3.05Å; L314-R316 VanDerWaalsContact C-N 3.32Å; L314-R316 PolarHBondContact O-N 2.9Å; R316-G319 PolarHBondContact O-N 2.82Å; R316-I320 WeakPolarHBondContact O-CG1 3.38Å; R316-I320 PolarHBondContact O-N 3.38Å |
| 317 | L | 95.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.1 | -169.8 | 66.2 | 0 | 0 | 0 | 112 | A48 F313 L314 G319 I320 V321 | A48-L317 HydrophobicContact CB-CD1 3.7Å; F313-L317 HydrophobicContact CE1-CD2 4.5Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 PolarHBondContact O-N 3.29Å; L314-L317 PolarHBondContact O-N 2.9Å; L317-G319 VanDerWaalsContact C-N 3.29Å; L317-G319 PolarHBondContact O-N 3.03Å; L317-I320 PolarHBondContact O-N 3.05Å; L317-V321 WeakPolarHBondContact O-CG2 3.47Å; L317-V321 PolarHBondContact O-N 2.82Å; L317-V321 VanDerWaalsContact O-N 3.09Å |
| 318 | C | 95.9 | Very high | 93.5 | Very high | 90 Ų | 90 | 67.8 Ų | 67.8 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.3 | -39.8 | 174.3 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | L314 V315 V321 G322 | L314-C318 WeakPolarHBondContact O-CB 3.41Å; L314-C318 PolarHBondContact O-N 2.95Å; L314-C318 PolarHBondContact O-SG 3.09Å; L314-C318 VanDerWaalsContact O-SG 3.32Å; V315-C318 PolarHBondContact O-N 2.94Å; C318-V321 PolarHBondContact O-N 3.01Å; C318-G322 PolarHBondContact O-N 3.04Å |
| 319 | G | 95.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 69.2 Ų | 69.2 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V315 R316 L317 G323 | V315-G319 PolarHBondContact O-N 3.01Å; R316-G319 PolarHBondContact O-N 2.82Å; L317-G319 VanDerWaalsContact C-N 3.29Å; L317-G319 PolarHBondContact O-N 3.03Å; G319-G323 WeakPolarHBondContact O-CA 3.08Å; G319-G323 PolarHBondContact O-N 2.93Å |
| 320 | I | 94.8 | Very high | 92.7 | Very high | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.179 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 177.1 | -68.6 | 164.5 | 0 | 0 | 0 | 110.7 | L47 E51 R316 L317 G323 I324 | L47-I320 HydrophobicContact CB-CG2 3.76Å; L47-I320 HydrophobicContact CD1-CG2 4Å; E51-I320 HydrophobicContact CB-CD1 4Å; E51-I320 HydrophobicContact CG-CD1 3.99Å; R316-I320 WeakPolarHBondContact O-CG1 3.38Å; R316-I320 PolarHBondContact O-N 3.38Å; L317-I320 PolarHBondContact O-N 3.05Å; I320-G323 PolarHBondContact O-N 2.98Å; I320-I324 HydrophobicContact CG2-CD1 4.09Å; I320-I324 WeakPolarHBondContact O-CG1 3.38Å; I320-I324 PolarHBondContact O-N 2.81Å |
| 321 | V | 94.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.5 | -49.4 | -178.3 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | M44 L317 C318 G323 F325 | M44-V321 HydrophobicContact SD-CB 4.48Å; M44-V321 HydrophobicContact SD-CG1 4.06Å; L317-V321 WeakPolarHBondContact O-CG2 3.47Å; L317-V321 PolarHBondContact O-N 2.82Å; L317-V321 VanDerWaalsContact O-N 3.09Å; C318-V321 PolarHBondContact O-N 3.01Å; V321-G323 PolarHBondContact O-N 3.24Å; V321-F325 VanDerWaalsContact O-CB 3.27Å; V321-F325 WeakPolarHBondContact O-CB 3.43Å; V321-F325 PolarHBondContact O-N 2.73Å |
| 322 | G | 93.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 74.7 Ų | 74.7 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | C318 S326 | C318-G322 PolarHBondContact O-N 3.04Å; G322-S326 WeakPolarHBondContact O-CB 3.39Å; G322-S326 PolarHBondContact O-N 2.91Å |
| 323 | G | 94 | Very high | 91.2 | Very high | 35 Ų | 35 | 72.7 Ų | 72.7 | 36% | 0.361 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G319 I320 V321 T327 | G319-G323 WeakPolarHBondContact O-CA 3.08Å; G319-G323 PolarHBondContact O-N 2.93Å; I320-G323 PolarHBondContact O-N 2.98Å; V321-G323 PolarHBondContact O-N 3.24Å; G323-T327 WeakPolarHBondContact O-CB 3.43Å; G323-T327 VanDerWaalsContact O-CG2 3.26Å; G323-T327 WeakPolarHBondContact O-CG2 3.38Å; G323-T327 PolarHBondContact O-N 3.11Å; G323-T327 PolarHBondContact O-OG1 2.77Å |
| 324 | I | 93.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 76.5 Ų | 76.5 | 14% | 0.144 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.6 | -67.8 | 170.6 | 0 | 0 | 0 | 110.8 | A40 M44 L47 I320 S326 T327 T328 | A40-I324 HydrophobicContact CB-CG2 4.11Å; M44-I324 HydrophobicContact CB-CD1 4.28Å; M44-I324 HydrophobicContact CE-CG2 4.31Å; M44-I324 HydrophobicContact CG-CB 3.67Å; M44-I324 HydrophobicContact CG-CD1 3.49Å; M44-I324 VanDerWaalsContact CG-CD1 3.49Å; M44-I324 HydrophobicContact CG-CG1 4.15Å; M44-I324 HydrophobicContact CG-CG2 3.65Å; M44-I324 HydrophobicContact SD-CB 4.12Å; M44-I324 HydrophobicContact SD-CG2 4.13Å; L47-I324 HydrophobicContact CD1-CD1 3.71Å; I320-I324 HydrophobicContact CG2-CD1 4.09Å; I320-I324 WeakPolarHBondContact O-CG1 3.38Å; I320-I324 PolarHBondContact O-N 2.81Å; I324-S326 PolarHBondContact O-N 2.87Å; I324-T327 WeakPolarHBondContact CA-OG1 3.45Å; I324-T327 PolarHBondContact O-N 3.35Å; I324-T327 PolarHBondContact O-OG1 3.48Å; I324-T328 WeakPolarHBondContact O-CB 3.02Å; I324-T328 PolarHBondContact O-N 2.57Å; I324-T328 PolarHBondContact O-OG1 3.26Å |
| 325 | F | 90.1 | Very high | 90 | Very high | 152 Ų | 152 | 76.5 Ų | 76.5 | 67% | 0.667 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.8 | -46.6 | 179.6 | -175.7 | -98.3 | 0 | 0 | 0 | 112.1 | V321 | V321-F325 VanDerWaalsContact O-CB 3.27Å; V321-F325 WeakPolarHBondContact O-CB 3.43Å; V321-F325 PolarHBondContact O-N 2.73Å |
| 326 | S | 90.3 | Very high | 89.3 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.9 | -45.1 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | G322 I324 M330 | G322-S326 WeakPolarHBondContact O-CB 3.39Å; G322-S326 PolarHBondContact O-N 2.91Å; I324-S326 PolarHBondContact O-N 2.87Å; S326-M330 PolarHBondContact O-N 3.45Å |
| 327 | T | 89.7 | Confident | 88.7 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | -177 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | G323 I324 G329 M330 L331 | G323-T327 WeakPolarHBondContact O-CB 3.43Å; G323-T327 VanDerWaalsContact O-CG2 3.26Å; G323-T327 WeakPolarHBondContact O-CG2 3.38Å; G323-T327 PolarHBondContact O-N 3.11Å; G323-T327 PolarHBondContact O-OG1 2.77Å; I324-T327 WeakPolarHBondContact CA-OG1 3.45Å; I324-T327 PolarHBondContact O-N 3.35Å; I324-T327 PolarHBondContact O-OG1 3.48Å; T327-G329 VanDerWaalsContact C-N 3.33Å; T327-G329 PolarHBondContact O-N 3.47Å; T327-M330 PolarHBondContact O-N 3.42Å; T327-L331 WeakPolarHBondContact O-CB 3.28Å; T327-L331 PolarHBondContact O-N 2.93Å |
| 328 | T | 88 | Confident | 88 | Confident | 30 Ų | 30 | 74 Ų | 74 | 18% | 0.184 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | V36 A40 I324 L331 H332 | V36-T328 HydrophobicContact CG1-CG2 3.59Å; A40-T328 HydrophobicContact CB-CG2 3.98Å; I324-T328 WeakPolarHBondContact O-CB 3.02Å; I324-T328 PolarHBondContact O-N 2.57Å; I324-T328 PolarHBondContact O-OG1 3.26Å; T328-L331 PolarHBondContact O-N 2.61Å; T328-H332 WeakPolarHBondContact O-CB 3.19Å; T328-H332 PolarHBondContact O-N 3.38Å |
| 329 | G | 81.6 | Confident | 87.3 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T327 H332 N333 | T327-G329 VanDerWaalsContact C-N 3.33Å; T327-G329 PolarHBondContact O-N 3.47Å; G329-H332 PolarHBondContact O-N 2.78Å; G329-N333 PolarHBondContact O-N 3.45Å; G329-N333 PolarHBondContact O-ND2 3.47Å |
| 330 | M | 85.6 | Confident | 86.5 | Confident | 130 Ų | 130 | 77.2 Ų | 77.2 | 64% | 0.64 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 177.2 | -172.1 | 169.6 | 65 | 0 | 0 | 112 | S326 T327 N333 L334 | S326-M330 PolarHBondContact O-N 3.45Å; T327-M330 PolarHBondContact O-N 3.42Å; M330-N333 PolarHBondContact O-N 3.02Å; M330-L334 WeakPolarHBondContact O-CB 3.45Å; M330-L334 PolarHBondContact O-N 3.5Å |
| 331 | L | 85.8 | Confident | 85.9 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 177.8 | -115.4 | 138.3 | 0 | 0 | 0 | 111.9 | T327 T328 N333 L334 V335 | T327-L331 WeakPolarHBondContact O-CB 3.28Å; T327-L331 PolarHBondContact O-N 2.93Å; T328-L331 PolarHBondContact O-N 2.61Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.43Å; L331-L334 PolarHBondContact O-N 3.17Å; L331-V335 HydrophobicContact CD2-CG2 4.31Å; L331-V335 WeakPolarHBondContact O-CB 3.38Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 3.39Å |
| 332 | H | 82.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 80 Ų | 80 | 37% | 0.366 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 177 | -176.6 | -88 | 0 | 0 | 0 | 111.5 | T328 G329 G336 | T328-H332 WeakPolarHBondContact O-CB 3.19Å; T328-H332 PolarHBondContact O-N 3.38Å; G329-H332 PolarHBondContact O-N 2.78Å; H332-G336 PolarHBondContact O-N 2.88Å |
| 333 | N | 81.6 | Confident | 84.4 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 178 | -68.2 | -21.5 | 0 | 0 | 0 | 112.4 | G329 M330 L331 G336 F337 | G329-N333 PolarHBondContact O-N 3.45Å; G329-N333 PolarHBondContact O-ND2 3.47Å; M330-N333 PolarHBondContact O-N 3.02Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.43Å; N333-G336 PolarHBondContact O-N 3.07Å; N333-F337 WeakPolarHBondContact O-CB 3.2Å; N333-F337 PolarHBondContact O-N 2.97Å |
| 334 | L | 84.1 | Confident | 83.2 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 178.6 | -171.3 | 127.1 | 0 | 0 | 0 | 112 | M330 L331 G336 F337 C338 | M330-L334 WeakPolarHBondContact O-CB 3.45Å; M330-L334 PolarHBondContact O-N 3.5Å; L331-L334 PolarHBondContact O-N 3.17Å; L334-G336 VanDerWaalsContact C-N 3.34Å; L334-F337 PolarHBondContact O-N 3.48Å; L334-C338 WeakPolarHBondContact O-CB 3.42Å; L334-C338 PolarHBondContact O-N 3.14Å; L334-C338 PolarHBondContact O-SG 3.1Å; L334-C338 VanDerWaalsContact O-SG 3.36Å |
| 335 | V | 83.3 | Confident | 82 | Confident | 86 Ų | 86 | 91 Ų | 91 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L331 C338 F339 | L331-V335 HydrophobicContact CD2-CG2 4.31Å; L331-V335 WeakPolarHBondContact O-CB 3.38Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 3.39Å; V335-C338 PolarHBondContact O-N 2.96Å; V335-F339 VanDerWaalsContact O-CB 3.31Å; V335-F339 WeakPolarHBondContact O-CB 3.29Å; V335-F339 PolarHBondContact O-N 3.08Å |
| 336 | G | 81 | Confident | 81 | Confident | 29 Ų | 29 | 91 Ų | 91 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H332 N333 L334 C338 F339 D340 | H332-G336 PolarHBondContact O-N 2.88Å; N333-G336 PolarHBondContact O-N 3.07Å; L334-G336 VanDerWaalsContact C-N 3.34Å; G336-C338 PolarHBondContact O-N 3.01Å; G336-F339 WeakPolarHBondContact O-CB 3.19Å; G336-F339 PolarHBondContact O-N 3.33Å; G336-D340 PolarHBondContact O-N 2.85Å |
| 337 | F | 82.1 | Confident | 79.5 | Confident | 133 Ų | 133 | 98 Ų | 98 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 177.6 | -180 | -104.9 | 0 | 0 | 0 | 113.1 | N333 L334 D340 I341 | N333-F337 WeakPolarHBondContact O-CB 3.2Å; N333-F337 PolarHBondContact O-N 2.97Å; L334-F337 PolarHBondContact O-N 3.48Å; F337-D340 PolarHBondContact O-N 2.91Å; F337-I341 HydrophobicContact CD1-CD1 3.81Å; F337-I341 HydrophobicContact CE1-CD1 3.23Å; F337-I341 HydrophobicContact CE1-CG1 4.33Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CG-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.4Å; F337-I341 VanDerWaalsContact CZ-CD1 3.4Å; F337-I341 HydrophobicContact CZ-CG1 4.29Å; F337-I341 WeakPolarHBondContact O-CG1 3.09Å; F337-I341 PolarHBondContact O-N 3.11Å |
| 338 | C | 81.3 | Confident | 77.9 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | L334 V335 G336 D340 I341 V342 | L334-C338 WeakPolarHBondContact O-CB 3.42Å; L334-C338 PolarHBondContact O-N 3.14Å; L334-C338 PolarHBondContact O-SG 3.1Å; L334-C338 VanDerWaalsContact O-SG 3.36Å; V335-C338 PolarHBondContact O-N 2.96Å; G336-C338 PolarHBondContact O-N 3.01Å; C338-D340 VanDerWaalsContact C-N 3.34Å; C338-I341 PolarHBondContact O-N 2.92Å; C338-V342 WeakPolarHBondContact O-CB 3.42Å; C338-V342 VanDerWaalsContact O-CG2 3.26Å; C338-V342 WeakPolarHBondContact O-CG2 3.49Å; C338-V342 PolarHBondContact O-N 3Å |
| 339 | F | 81.7 | Confident | 76 | Confident | 139 Ų | 139 | 102.7 Ų | 102.7 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 175.9 | -173.9 | -96.1 | 0 | 0 | 0 | 111.3 | V335 G336 V342 C343 | V335-F339 VanDerWaalsContact O-CB 3.31Å; V335-F339 WeakPolarHBondContact O-CB 3.29Å; V335-F339 PolarHBondContact O-N 3.08Å; G336-F339 WeakPolarHBondContact O-CB 3.19Å; G336-F339 PolarHBondContact O-N 3.33Å; F339-V342 PolarHBondContact O-N 3.01Å; F339-C343 WeakPolarHBondContact CE1-SG 3.43Å; F339-C343 WeakPolarHBondContact CZ-SG 3.34Å; F339-C343 VanDerWaalsContact O-CB 3.3Å; F339-C343 WeakPolarHBondContact O-CB 3.48Å; F339-C343 PolarHBondContact O-N 3.31Å; F339-C343 PolarHBondContact O-SG 3.46Å |
| 340 | D | 78.9 | Confident | 74.4 | Confident | 65 Ų | 65 | 105.4 Ų | 105.4 | 35% | 0.348 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -43 | 177.4 | -71.8 | -21.7 | 0 | 0 | 0 | 111.9 | G336 F337 C338 C344 | G336-D340 PolarHBondContact O-N 2.85Å; F337-D340 PolarHBondContact O-N 2.91Å; C338-D340 VanDerWaalsContact C-N 3.34Å; D340-C344 WeakPolarHBondContact O-CB 3.28Å; D340-C344 PolarHBondContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 2.85Å |
| 341 | I | 82.9 | Confident | 72.3 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.6 | -46.8 | 174.6 | -75.4 | 178.1 | 0 | 0 | 0 | 111.1 | F337 C338 C344 R345 | F337-I341 HydrophobicContact CD1-CD1 3.81Å; F337-I341 HydrophobicContact CE1-CD1 3.23Å; F337-I341 HydrophobicContact CE1-CG1 4.33Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CG-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.4Å; F337-I341 VanDerWaalsContact CZ-CD1 3.4Å; F337-I341 HydrophobicContact CZ-CG1 4.29Å; F337-I341 WeakPolarHBondContact O-CG1 3.09Å; F337-I341 PolarHBondContact O-N 3.11Å; C338-I341 PolarHBondContact O-N 2.92Å; I341-C344 PolarHBondContact O-N 2.82Å; I341-R345 WeakPolarHBondContact O-CB 3.34Å; I341-R345 PolarHBondContact O-N 3.01Å |
| 342 | V | 79.9 | Confident | 70.3 | Confident | 78 Ų | 78 | 112.9 Ų | 112.9 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -43.7 | -178.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | C338 F339 R345 F346 | C338-V342 WeakPolarHBondContact O-CB 3.42Å; C338-V342 VanDerWaalsContact O-CG2 3.26Å; C338-V342 WeakPolarHBondContact O-CG2 3.49Å; C338-V342 PolarHBondContact O-N 3Å; F339-V342 PolarHBondContact O-N 3.01Å; V342-R345 PolarHBondContact O-N 3.23Å; V342-F346 HydrophobicContact CG1-CD2 3.94Å; V342-F346 HydrophobicContact CG1-CE2 4.43Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.28Å; V342-F346 PolarHBondContact O-N 3.23Å |
| 343 | C | 74 | Confident | 68.5 | Low | 31 Ų | 31 | 114 Ų | 114 | 21% | 0.209 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -64.8 | -40.3 | 176.4 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | F339 R347 | F339-C343 WeakPolarHBondContact CE1-SG 3.43Å; F339-C343 WeakPolarHBondContact CZ-SG 3.34Å; F339-C343 VanDerWaalsContact O-CB 3.3Å; F339-C343 WeakPolarHBondContact O-CB 3.48Å; F339-C343 PolarHBondContact O-N 3.31Å; F339-C343 PolarHBondContact O-SG 3.46Å; C343-R347 PolarHBondContact O-N 2.63Å |
| 344 | C | 69.8 | Low | 66.7 | Low | 90 Ų | 90 | 118 Ų | 118 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.2 | -37.1 | 174.9 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | D340 I341 | D340-C344 WeakPolarHBondContact O-CB 3.28Å; D340-C344 PolarHBondContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 2.85Å; I341-C344 PolarHBondContact O-N 2.82Å |
| 345 | R | 68.8 | Low | 64.3 | Low | 214 Ų | 214 | 121.9 Ų | 121.9 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.6 | -33.3 | -176.9 | -152.8 | -174.3 | -178.9 | 177.7 | 1.9 | 113.5 | I341 V342 | I341-R345 WeakPolarHBondContact O-CB 3.34Å; I341-R345 PolarHBondContact O-N 3.01Å; V342-R345 PolarHBondContact O-N 3.23Å |
| 346 | F | 67.4 | Low | 62.3 | Low | 152 Ų | 152 | 124 Ų | 124 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -94.4 | 0.2 | 179.1 | -77 | -83 | 0 | 0 | 0 | 114.4 | V342 V348 | V342-F346 HydrophobicContact CG1-CD2 3.94Å; V342-F346 HydrophobicContact CG1-CE2 4.43Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.28Å; V342-F346 PolarHBondContact O-N 3.23Å; F346-V348 HydrophobicContact CB-CG2 4.18Å; F346-V348 PolarHBondContact O-N 2.85Å |
| 347 | R | 58.8 | Low | 59.9 | Low | 232 Ų | 232 | 127.1 Ų | 127.1 | 88% | 0.875 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 36.5 | 173.1 | -135.5 | -178.7 | -165.2 | 179.9 | 4.4 | 113.2 | C343 G349 | C343-R347 PolarHBondContact O-N 2.63Å; R347-G349 PolarHBondContact O-N 3.06Å; R347-G349 VanDerWaalsContact O-N 3.11Å |
| 348 | V | 56.7 | Low | 57.8 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | trans | -74.8 | 103.9 | 174.9 | -178 | 0 | 0 | 0 | 0 | 106.8 | F346 A350 | F346-V348 HydrophobicContact CB-CG2 4.18Å; F346-V348 PolarHBondContact O-N 2.85Å; V348-A350 PolarHBondContact O-N 2.92Å | ||
| 349 | G | 49.3 | Very low | 55.9 | Low | 81 Ų | 81 | 129.3 Ų | 129.3 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -64.7 | 93.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | R347 | R347-G349 PolarHBondContact O-N 3.06Å; R347-G349 VanDerWaalsContact O-N 3.11Å |
| 350 | A | 46.9 | Very low | 53.7 | Low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | trans | -161.5 | 39.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V348 R352 | V348-A350 PolarHBondContact O-N 2.92Å; A350-R352 PolarHBondContact O-N 3.35Å | ||
| 351 | Y | 42.4 | Very low | 51.7 | Low | 157 Ų | 157 | 132.3 Ų | 132.3 | 62% | 0.616 | 70% | 0.701 | S | S | * | * | trans | -92.2 | 97 | 172.1 | -146.2 | -95.1 | 0 | 0 | 0 | 108.8 | ||||
| 352 | R | 43.7 | Very low | 49.4 | Very low | 238 Ų | 238 | 134.5 Ų | 134.5 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -79.7 | 118.6 | 161.2 | -104.8 | -172.6 | 179 | -176.5 | 0.1 | 106.9 | A350 R354 | A350-R352 PolarHBondContact O-N 3.35Å; R352-R354 PolarHBondContact O-N 3.48Å | ||
| 353 | P | 44 | Very low | 47.1 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | -61.6 | 139.8 | 174.7 | -10.6 | 24 | 0 | 0 | 0 | 109.5 | Q355 | P353-Q355 PolarHBondContact O-N 3.23Å; P353-Q355 VanDerWaalsContact O-N 3.11Å | ||
| 354 | R | 44.3 | Very low | 44.9 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | trans | -57.4 | 110.6 | 170.8 | -158 | 174.9 | -172.2 | 162.6 | 5.1 | 107.9 | E28 R352 V356 | E28-R354 IonicContact OE1-NH2 3.16Å; E28-R354 PolarHBondContact OE1-NH2 3.3Å; E28-R354 VanDerWaalsContact OE1-NH2 3.16Å; E28-R354 IonicContact OE2-NH2 3.04Å; E28-R354 PolarHBondContact OE2-NH2 3.17Å; R352-R354 PolarHBondContact O-N 3.48Å; R354-V356 PolarHBondContact O-N 3.08Å | ||
| 355 | Q | 33.5 | Very low | 43.1 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 110.8 | 173.2 | -83.7 | -174.9 | -21.1 | 0 | 0 | 108.5 | P353 | P353-Q355 PolarHBondContact O-N 3.23Å; P353-Q355 VanDerWaalsContact O-N 3.11Å | ||
| 356 | V | 41.5 | Very low | 41.3 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -79.3 | 113.2 | 159.6 | 178.7 | 0 | 0 | 0 | 0 | 106 | R354 P358 | R354-V356 PolarHBondContact O-N 3.08Å; V356-P358 WeakPolarHBondContact O-CD 3.49Å | ||
| 357 | S | 30 | Very low | 39.5 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -69.5 | 125.8 | 172.5 | -64 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 358 | P | 38.9 | Very low | 38.4 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -95.2 | 92.8 | 173.9 | 33.6 | -24.4 | 0 | 0 | 0 | 109.3 | V356 | V356-P358 WeakPolarHBondContact O-CD 3.49Š| ||
| 359 | V | 40.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -148.5 | 99.9 | 168.3 | -177 | 0 | 0 | 0 | 0 | 102.1 | ||||
| 360 | D | 35.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -151.5 | 120.3 | 55 | -68.6 | -59.9 | 0 | 0 | 0 | 110.9 | |||||
| 361 | S | 36 | Very low | 35.4 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -150.8 | 128 | 146 | 46.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 362 | V | 35.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | 118.8 | 117.7 | 167.1 | -178.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 363 | L | 32.4 | Very low | 34.2 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 90.9 | 116 | 172.3 | -60.1 | 147.3 | 0 | 0 | 0 | 114 | ||||
| 364 | D | 27.3 | Very low | 33.5 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | cis | -142.1 | 143.8 | 40.6 | -87.1 | -40.3 | 0 | 0 | 0 | 115.3 | ||||
| 365 | M | 33.2 | Very low | 32.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | -94.4 | 146.7 | 160.8 | -144.9 | -161.5 | -165.1 | 0 | 0 | 107.8 | ||||
| 366 | N | 30.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 96.9 | 119 | -179.2 | -54.6 | -23.5 | 0 | 0 | 0 | 112.4 | ||||
| 367 | T | 29 | Very low | 31.9 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | 179.6 | -179.1 | 28.1 | 25.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 368 | P | 34.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | -121.4 | -177 | -52.9 | 37 | -19.5 | 0 | 0 | 0 | 112.5 | |||||
| 369 | M | 33.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -35.9 | 133.4 | 169.8 | -85.1 | -87.8 | 133.7 | 0 | 0 | 115.6 | ||||
| 370 | D | 28.7 | Very low | 30.8 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -145.9 | 137.6 | 134.9 | -127.8 | -9.9 | 0 | 0 | 0 | 111.8 | ||||
| 371 | E | 29.1 | Very low | 30.5 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -88.2 | 133.1 | -172.1 | -177.4 | -178.9 | -165.2 | 0 | 0 | 108.9 | ||||
| 372 | L | 30.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -176.8 | 120.6 | 139 | -121.8 | 81.9 | 0 | 0 | 0 | 113.6 | ||||
| 373 | Q | 30.4 | Very low | 30.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 62.5 | 105.3 | 139.8 | -71.5 | 178.2 | -17.8 | 0 | 0 | 119.6 | ||||
| 374 | L | 28.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | 75.4 | 117.1 | 66.5 | -156.8 | 93.1 | 0 | 0 | 0 | 113.4 | |||||
| 375 | N | 27 | Very low | 30.3 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | trans | 74 | 114.2 | 157.2 | -64.5 | -17.1 | 0 | 0 | 0 | 119.3 | ||||
| 376 | H | 29.9 | Very low | 30.3 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | -157 | 137.3 | 86.2 | -134.8 | -77 | 0 | 0 | 0 | 112.7 | |||||
| 377 | L | 29.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | trans | -74.8 | 157.3 | -174.7 | -85.3 | 106 | 0 | 0 | 0 | 114.8 | ||||
| 378 | N | 27.9 | Very low | 30.6 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | trans | 65.4 | 122.6 | 137.6 | -66.1 | -9.2 | 0 | 0 | 0 | 120.4 | ||||
| 379 | H | 29.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | -165.1 | 134.4 | 82.5 | -117.9 | -61.9 | 0 | 0 | 0 | 113.5 | |||||
| 380 | H | 27.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -48.7 | 165.8 | 158.5 | -67.6 | -88.4 | 0 | 0 | 0 | 112.4 | ||||
| 381 | Q | 30.2 | Very low | 31.8 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -174.7 | 148.8 | 31.8 | -143.4 | 146.3 | -27 | 0 | 0 | 109.5 | ||||
| 382 | A | 30.9 | Very low | 31.9 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -80.1 | 164.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 383 | P | 34 | Very low | 32 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -128.1 | 139.6 | 144.9 | 27.7 | -11 | 0 | 0 | 0 | 113.4 | ||||
| 384 | L | 29.4 | Very low | 32.1 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -110.7 | 168.7 | 167.7 | -96.7 | 165.8 | 0 | 0 | 0 | 109.3 | ||||
| 385 | L | 32.2 | Very low | 32.3 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 100.4 | 107.7 | 166.4 | -54 | 174.3 | 0 | 0 | 0 | 114 | ||||
| 386 | V | 33.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | 71.2 | 108.5 | 61.3 | -176.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 387 | G | 34 | Very low | 32.8 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | 55.9 | 116.1 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 388 | N | 31.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | 172.4 | 136.8 | 106.8 | -93 | -13.2 | 0 | 0 | 0 | 112.5 | |||||
| 389 | A | 36.2 | Very low | 33.5 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -71.2 | 166.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 390 | P | 47.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | -147.9 | 165.4 | 46.6 | 38.3 | -17 | 0 | 0 | 0 | 117.1 | ||||
| 391 | L | 37.8 | Very low | 34.3 | Very low | 245 Ų | 245 | 139 Ų | 139 | 100% | 1.283 | 84% | 0.836 | S | S | * | * | -175.7 | 0 | 128.6 | -102 | 163.9 | 0 | 0 | 0 | 110 |
Retrieved 391 of 391 residues in 1158.4 ms
(Link to these results)