| 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 | 46.4 | Very low | 48.1 | Very low | 248 Ų | 248 | 145.5 Ų | 145.5 | 100% | 1.222 | 78% | 0.778 | S | S | * | * | 0 | 100.5 | 0 | -174.1 | 166.4 | -173 | 0 | 0 | 107.7 | |||||
| 2 | A | 45.3 | Very low | 47.6 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | 174.9 | 82.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | D | 45.5 | Very low | 46.9 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -124.8 | 111.9 | 157.2 | -170.3 | -90.3 | 0 | 0 | 0 | 104.5 | ||||
| 4 | Y | 45.8 | Very low | 46.6 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -145.5 | 111.9 | 162.4 | -144.7 | -90.7 | 0 | 0 | 0 | 110.1 | ||||
| 5 | D | 49.7 | Very low | 46.2 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | trans | -54.9 | 145.8 | 177.6 | -134.2 | -120.5 | 0 | 0 | 0 | 114.5 | ||||
| 6 | D | 52.5 | Low | 46.5 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | 2.6 | 118.2 | 143.1 | -154.2 | -82.1 | 0 | 0 | 0 | 118.3 | ||||
| 7 | R | 49.8 | Very low | 46.4 | Very low | 222 Ų | 222 | 131.6 Ų | 131.6 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -142 | 107.8 | 139.4 | -76.3 | -159.3 | 179.9 | 109.2 | 4.6 | 110.9 | Y9 | R7-Y9 PolarHBondContact O-N 3.47Š| ||
| 8 | A | 52.4 | Low | 46.7 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -39.6 | 122.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 9 | Y | 47.6 | Very low | 46.9 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | trans | -126.9 | 93.7 | 147.9 | -168.2 | -102.7 | 0 | 0 | 0 | 107.5 | R7 S11 | R7-Y9 PolarHBondContact O-N 3.47Å; Y9-S11 VanDerWaalsContact C-N 3.26Å; Y9-S11 WeakPolarHBondContact CE1-OG 3.16Å; Y9-S11 PolarHBondContact O-N 3.33Å | ||
| 10 | G | 49.6 | Very low | 46.8 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | -61.8 | 93 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | F12 | G10-F12 WeakPolarHBondContact O-CD1 3.49Å; G10-F12 VanDerWaalsContact O-CE1 3.29Å; G10-F12 WeakPolarHBondContact O-CE1 3.35Å | ||
| 11 | S | 44.8 | Very low | 46.7 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | trans | -94.8 | 100.6 | 165.5 | -146.5 | 0 | 0 | 0 | 0 | 107.6 | Y9 G13 | Y9-S11 VanDerWaalsContact C-N 3.26Å; Y9-S11 WeakPolarHBondContact CE1-OG 3.16Å; Y9-S11 PolarHBondContact O-N 3.33Å; S11-G13 PolarHBondContact O-N 3.09Å | ||
| 12 | F | 42.3 | Very low | 46.7 | Very low | 172 Ų | 172 | 121.7 Ų | 121.7 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -49.7 | 65.1 | 156.3 | 38.3 | -88.6 | 0 | 0 | 0 | 111 | G10 G14 | G10-F12 WeakPolarHBondContact O-CD1 3.49Å; G10-F12 VanDerWaalsContact O-CE1 3.29Å; G10-F12 WeakPolarHBondContact O-CE1 3.35Å; F12-G14 PolarHBondContact O-N 3.13Å; F12-G14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | G | 38.4 | Very low | 46.6 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | -81.6 | 77.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S11 G15 | S11-G13 PolarHBondContact O-N 3.09Å; G13-G15 PolarHBondContact O-N 3.26Å | ||
| 14 | G | 42.6 | Very low | 46.7 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | -45.4 | 113.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.2 | F12 R16 | F12-G14 PolarHBondContact O-N 3.13Å; F12-G14 VanDerWaalsContact O-N 3.1Å; G14-R16 PolarHBondContact O-N 2.89Å | ||
| 15 | G | 40.1 | Very low | 46.8 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -49.1 | 108.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | G13 G17 | G13-G15 PolarHBondContact O-N 3.26Å; G15-G17 PolarHBondContact O-N 3.39Å | ||
| 16 | R | 51.8 | Low | 46.6 | Very low | 205 Ų | 205 | 108.4 Ų | 108.4 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | -66 | 87.1 | 165.1 | -159.5 | -172.4 | -150.1 | -174.9 | 9.3 | 103.7 | G14 | G14-R16 PolarHBondContact O-N 2.89Š| ||
| 17 | G | 45 | Very low | 46.5 | Very low | 46 Ų | 46 | 108.3 Ų | 108.3 | 47% | 0.474 | 72% | 0.723 | S | S | . | * | trans | -47.5 | 152.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G15 R19 | G15-G17 PolarHBondContact O-N 3.39Å; G17-R19 PolarHBondContact O-N 3.44Å | ||
| 18 | P | 50.8 | Low | 46.6 | Very low | 131 Ų | 131 | 104.4 Ų | 104.4 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -49.9 | 126.4 | 174.9 | 23.5 | -32.1 | 0 | 0 | 0 | 107 | G20 | P18-G20 PolarHBondContact O-N 2.79Š| ||
| 19 | R | 50.4 | Low | 46.5 | Very low | 210 Ų | 210 | 109.5 Ų | 109.5 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -60.6 | 78.9 | 168 | -83.9 | 178.8 | 168.3 | 180 | -5.9 | 107.2 | G17 G21 | G17-R19 PolarHBondContact O-N 3.44Å; R19-G21 PolarHBondContact O-N 3.33Å | ||
| 20 | G | 45.4 | Very low | 46.7 | Very low | 75 Ų | 75 | 108.2 Ų | 108.2 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -64.2 | 124.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | P18 | P18-G20 PolarHBondContact O-N 2.79Š| ||
| 21 | G | 44.4 | Very low | 46.8 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 160.5 | 0.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R19 G23 | R19-G21 PolarHBondContact O-N 3.33Å; G21-G23 PolarHBondContact O-N 3.4Å | ||
| 22 | G | 47.1 | Very low | 47.2 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -68.2 | 79.4 | 144 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||
| 23 | G | 42.2 | Very low | 47.7 | Very low | 55 Ų | 55 | 111.6 Ų | 111.6 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | trans | -51.6 | 136.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | G21 G25 | G21-G23 PolarHBondContact O-N 3.4Å; G23-G25 PolarHBondContact O-N 3.13Å | ||
| 24 | P | 49 | Very low | 48.4 | Very low | 125 Ų | 125 | 109.7 Ų | 109.7 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | trans | -54.1 | 119.2 | 168.2 | 25.1 | -31 | 0 | 0 | 0 | 104.7 | G26 | P24-G26 VanDerWaalsContact C-N 3.31Å; P24-G26 PolarHBondContact O-N 3.49Å | ||
| 25 | G | 45.9 | Very low | 48.9 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | trans | -48.6 | 110 | 169.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | G23 | G23-G25 PolarHBondContact O-N 3.13Š| ||
| 26 | G | 46.8 | Very low | 49.5 | Very low | 51 Ų | 51 | 115.3 Ų | 115.3 | 53% | 0.526 | 68% | 0.677 | S | S | . | * | trans | -49.2 | 147 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P24 R28 | P24-G26 VanDerWaalsContact C-N 3.31Å; P24-G26 PolarHBondContact O-N 3.49Å; G26-R28 PolarHBondContact O-N 3.14Å | ||
| 27 | P | 50.7 | Low | 49.7 | Very low | 128 Ų | 128 | 109.7 Ų | 109.7 | 83% | 0.831 | 67% | 0.667 | S | S | * | * | trans | -45.9 | 111.3 | -176.4 | 20.3 | -32.2 | 0 | 0 | 0 | 106.7 | K29 | P27-K29 PolarHBondContact O-N 2.9Š| ||
| 28 | R | 50.9 | Low | 50.5 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | trans | -52.7 | 118.5 | 179.8 | -72.9 | -177.6 | 179.8 | 136.7 | 3.4 | 103.2 | G26 Q30 D99 | G26-R28 PolarHBondContact O-N 3.14Å; R28-Q30 PolarHBondContact O-N 3.37Å; R28-D99 IonicContact NH1-OD1 2.81Å; R28-D99 PolarHBondContact NH1-OD1 3.17Å; R28-D99 IonicContact NH1-OD2 3.52Å | ||
| 29 | K | 50.5 | Low | 51.6 | Low | 198 Ų | 198 | 103.1 Ų | 103.1 | 86% | 0.861 | 62% | 0.615 | S | S | * | * | trans | -53.1 | 100.9 | 177.5 | -86.2 | 178.9 | 172.8 | -178.8 | 0 | 105.2 | P27 K31 | P27-K29 PolarHBondContact O-N 2.9Å; K29-K31 PolarHBondContact O-N 3.12Å | ||
| 30 | Q | 52.2 | Low | 53 | Low | 158 Ų | 158 | 93.8 Ų | 93.8 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | trans | -55.4 | 103.6 | 165.2 | -81.2 | 175.8 | -5.5 | 0 | 0 | 103.1 | R28 E32 | R28-Q30 PolarHBondContact O-N 3.37Å; Q30-E32 PolarHBondContact O-N 3.15Å | ||
| 31 | K | 51.6 | Low | 54.8 | Low | 132 Ų | 132 | 90.2 Ų | 90.2 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 127.6 | 173 | -88.1 | -178.3 | 169.2 | -174.7 | 0 | 105.5 | K29 L33 I112 | K29-K31 PolarHBondContact O-N 3.12Å; K31-L33 PolarHBondContact O-N 3.14Å; K31-I112 WeakPolarHBondContact O-CD1 3.13Å |
| 32 | E | 52.6 | Low | 56.8 | Low | 184 Ų | 184 | 89.6 Ų | 89.6 | 86% | 0.86 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 136.4 | 176.6 | -67.5 | 170.3 | 89.4 | 0 | 0 | 108.6 | Q30 | Q30-E32 PolarHBondContact O-N 3.15Š|
| 33 | L | 52.8 | Low | 58.6 | Low | 67 Ų | 67 | 85.9 Ų | 85.9 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -53 | 121.7 | -175.8 | -61 | 155.5 | 0 | 0 | 0 | 108.3 | K31 T35 L89 L92 | K31-L33 PolarHBondContact O-N 3.14Å; L33-T35 PolarHBondContact O-N 3.47Å; L33-L89 HydrophobicContact CB-CD2 4.05Å; L33-L92 HydrophobicContact CD2-CB 4.11Å; L33-L92 HydrophobicContact CD2-CD2 3.61Å; L33-L92 HydrophobicContact CD2-CG 3.9Å |
| 34 | P | 53 | Low | 60.5 | Low | 26 Ų | 26 | 83.2 Ų | 83.2 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 134.9 | 170.9 | 21.6 | -27.8 | 0 | 0 | 0 | 107.8 | E36 F39 L89 | P34-E36 VanDerWaalsContact C-N 3.27Å; P34-E36 PolarHBondContact O-N 3.35Å; P34-F39 HydrophobicContact CG-CD1 4.3Å; P34-F39 WeakPolarHBondContact O-CE1 3.28Å; P34-L89 VanDerWaalsContact O-CD2 3.29Å; P34-L89 WeakPolarHBondContact O-CD2 3.18Å |
| 35 | T | 53.6 | Low | 62.1 | Low | 126 Ų | 126 | 80.9 Ų | 80.9 | 77% | 0.773 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -85.6 | 1.5 | -175.2 | -31.5 | 0 | 0 | 0 | 0 | 112.8 | L33 | L33-T35 PolarHBondContact O-N 3.47Š|
| 36 | E | 51.9 | Low | 63.8 | Low | 140 Ų | 140 | 77.7 Ų | 77.7 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -124 | 138.1 | -178.2 | -67.3 | -176.7 | 97 | 0 | 0 | 111.3 | P34 F39 | P34-E36 VanDerWaalsContact C-N 3.27Å; P34-E36 PolarHBondContact O-N 3.35Å; E36-F39 WeakPolarHBondContact O-CE1 3.01Å |
| 37 | P | 57.5 | Low | 65.2 | Low | 87 Ų | 87 | 77.1 Ų | 77.1 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -64.5 | 143.4 | 174.2 | 27.4 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 38 | P | 61.2 | Low | 66.3 | Low | 28 Ų | 28 | 77 Ų | 77 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | cis | -97.3 | 132 | 15.3 | 32.7 | -30.6 | 0 | 0 | 0 | 115.5 | T40 E85 | P38-T40 PolarHBondContact O-N 3.04Å; P38-E85 HydrophobicContact CB-CG 3.76Å; P38-E85 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 39 | F | 73.4 | Confident | 67.4 | Low | 12 Ų | 12 | 77.1 Ų | 77.1 | 5% | 0.053 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 101.1 | 174.5 | -52.9 | -51.7 | 0 | 0 | 0 | 109.8 | P34 E36 E85 F86 D87 L89 L92 | P34-F39 HydrophobicContact CG-CD1 4.3Å; P34-F39 WeakPolarHBondContact O-CE1 3.28Å; E36-F39 WeakPolarHBondContact O-CE1 3.01Å; F39-E85 CarbonylContact O-C 3.58Å; F39-E85 WeakPolarHBondContact O-CA 3.49Å; F39-F86 HydrophobicContact CB-CB 4.21Å; F39-F86 PolarHBondContact N-O 3.22Å; F39-F86 PolarHBondContact O-N 2.74Å; F39-D87 WeakPolarHBondContact CE2-O 3.27Å; F39-L89 HydrophobicContact CD1-CD2 3.56Å; F39-L89 HydrophobicContact CD1-CG 4.43Å; F39-L89 HydrophobicContact CD2-CD2 4.33Å; F39-L89 HydrophobicContact CD2-CG 4.41Å; F39-L89 HydrophobicContact CE1-CD2 3.17Å; F39-L89 HydrophobicContact CE1-CG 3.86Å; F39-L89 HydrophobicContact CE2-CD2 3.95Å; F39-L89 HydrophobicContact CE2-CG 3.77Å; F39-L89 HydrophobicContact CG-CD2 4.15Å; F39-L89 HydrophobicContact CZ-CD1 4.23Å; F39-L89 HydrophobicContact CZ-CD2 3.37Å; F39-L89 HydrophobicContact CZ-CG 3.47Å; F39-L89 VanDerWaalsContact CZ-CG 3.47Å; F39-L92 HydrophobicContact CB-CB 4.47Å; F39-L92 HydrophobicContact CB-CD2 4.19Å |
| 40 | T | 80.4 | Confident | 68.5 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.9 | 179.4 | -45 | 0 | 0 | 0 | 0 | 110.5 | P38 Y83 V84 A113 | P38-T40 PolarHBondContact O-N 3.04Å; T40-Y83 HydrophobicContact CG2-CD1 4.37Å; T40-V84 CarbonylContact C-O 3.42Å; T40-V84 VanDerWaalsContact CA-O 3.29Å; T40-V84 WeakPolarHBondContact CA-O 3.42Å; T40-V84 WeakPolarHBondContact CG2-O 3.34Å; T40-A113 CarbonylContact C-O 3.5Å; T40-A113 VanDerWaalsContact CB-O 3.25Å; T40-A113 WeakPolarHBondContact CB-O 3.42Å; T40-A113 HydrophobicContact CG2-CB 3.88Å; T40-A113 CarbonylContact O-C 3.56Å; T40-A113 WeakPolarHBondContact O-CA 3.32Å; T40-A113 PolarHBondContact O-N 3.47Å |
| 41 | A | 82.9 | Confident | 69.7 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y83 V84 F86 L92 V110 D111 | A41-Y83 CarbonylContact O-C 3.37Å; A41-Y83 WeakPolarHBondContact O-CA 3.47Å; A41-V84 PolarHBondContact N-O 3.46Å; A41-V84 PolarHBondContact O-N 3Å; A41-F86 HydrophobicContact CB-CD2 4.35Å; A41-F86 HydrophobicContact CB-CE2 3.59Å; A41-L92 HydrophobicContact CB-CD1 3.94Å; A41-V110 HydrophobicContact CB-CG1 4.38Å; A41-D111 CarbonylContact C-O 3.56Å; A41-D111 WeakPolarHBondContact CA-O 3.28Å |
| 42 | Y | 85.8 | Confident | 71 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.3 | 164.6 | 170 | -95.4 | 0 | 0 | 0 | 108.6 | F81 Y83 V110 D111 | Y42-F81 HydrophobicContact CE2-CB 3.58Å; Y42-F81 AromaticContact CE2-CD2 3.97Å; Y42-F81 HydrophobicContact CE2-CD2 3.97Å; Y42-F81 AromaticContact CE2-CG 3.94Å; Y42-F81 HydrophobicContact CE2-CG 3.94Å; Y42-Y83 HydrophobicContact CD2-CD1 4.25Å; Y42-Y83 AromaticContact CD2-CE1 3.69Å; Y42-Y83 HydrophobicContact CD2-CE1 3.69Å; Y42-Y83 AromaticContact CD2-CZ 3.93Å; Y42-Y83 HydrophobicContact CG-CE1 4.48Å; Y42-V110 CarbonylContact O-C 3.5Å; Y42-V110 WeakPolarHBondContact O-CA 3.4Å; Y42-D111 HydrophobicContact CD1-CB 4.07Å; Y42-D111 PolarHBondContact N-O 3.35Å; Y42-D111 PolarHBondContact O-N 3.06Å |
| 43 | V | 84.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.7 | 171.9 | -174 | 0 | 0 | 0 | 0 | 107.8 | L46 F59 F81 C82 V84 R109 V110 | V43-L46 HydrophobicContact CB-CD1 4.38Å; V43-L46 HydrophobicContact CG1-CD1 3.96Å; V43-L46 HydrophobicContact CG1-CD2 4.08Å; V43-L46 HydrophobicContact CG1-CG 4.1Å; V43-F59 HydrophobicContact CG1-CE2 4.42Å; V43-F59 HydrophobicContact CG1-CZ 4.3Å; V43-F59 HydrophobicContact CG2-CE2 3.89Å; V43-F59 HydrophobicContact CG2-CZ 3.69Å; V43-F81 CarbonylContact O-C 3.5Å; V43-F81 WeakPolarHBondContact O-CA 3.28Å; V43-C82 PolarHBondContact N-O 3.24Å; V43-C82 PolarHBondContact O-N 3.37Å; V43-V84 HydrophobicContact CG2-CG2 4.35Å; V43-R109 CarbonylContact C-O 3.37Å; V43-R109 WeakPolarHBondContact CA-O 3.16Å; V43-V110 HydrophobicContact CG1-CG2 4.24Å; V43-V110 HydrophobicContact CG2-CG1 4.25Å; V43-V110 HydrophobicContact CG2-CG2 4.35Å |
| 44 | G | 83.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 173.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L46 G80 R109 | G44-L46 PolarHBondContact O-N 3.07Å; G44-G80 CarbonylContact C-O 3.46Å; G44-R109 PolarHBondContact N-O 3.41Å; G44-R109 PolarHBondContact O-N 3.42Å |
| 45 | N | 82.8 | Confident | 74.8 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 62 | 28.9 | -174.9 | -155 | 51.1 | 0 | 0 | 0 | 113.9 | G80 S107 | N45-G80 PolarHBondContact N-O 2.84Å; N45-S107 VanDerWaalsContact CB-O 3.27Å; N45-S107 WeakPolarHBondContact CB-O 3.44Å; N45-S107 PolarHBondContact ND2-O 3.06Å |
| 46 | L | 80.9 | Confident | 76 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | trans | -74.5 | 144.4 | 175 | -67.6 | 164.6 | 0 | 0 | 0 | 110.6 | V43 G44 T50 I55 G80 C82 L108 | V43-L46 HydrophobicContact CB-CD1 4.38Å; V43-L46 HydrophobicContact CG1-CD1 3.96Å; V43-L46 HydrophobicContact CG1-CD2 4.08Å; V43-L46 HydrophobicContact CG1-CG 4.1Å; G44-L46 PolarHBondContact O-N 3.07Å; L46-T50 HydrophobicContact CB-CG2 4.35Å; L46-T50 HydrophobicContact CD1-CG2 4.31Å; L46-T50 HydrophobicContact CD2-CG2 4.19Å; L46-I55 HydrophobicContact CD1-CD1 4.38Å; L46-I55 HydrophobicContact CD1-CG1 4.44Å; L46-G80 PolarHBondContact N-O 3.5Å; L46-G80 WeakPolarHBondContact O-CA 3.45Å; L46-C82 HydrophobicContact CD1-CB 4.37Å; L46-C82 VanDerWaalsContact CD1-SG 3.57Å; L46-L108 HydrophobicContact CD2-CD2 3.47Å; L46-L108 VanDerWaalsContact CD2-CD2 3.47Å; L46-L108 HydrophobicContact CG-CD2 4.36Å | ||
| 47 | P | 75.2 | Confident | 77.3 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | trans | -61.5 | 152.3 | 172.9 | 17.7 | -22.7 | 0 | 0 | 0 | 111.9 | N49 T50 L103 | P47-N49 PolarHBondContact O-N 3.19Å; P47-N49 VanDerWaalsContact O-N 3.1Å; P47-T50 WeakPolarHBondContact CD-OG1 3.28Å; P47-T50 VanDerWaalsContact CG-OG1 3.23Å; P47-T50 WeakPolarHBondContact CG-OG1 3.34Å; P47-T50 VanDerWaalsContact O-CB 3.29Å; P47-T50 WeakPolarHBondContact O-CB 3.01Å; P47-T50 PolarHBondContact O-N 2.74Å; P47-T50 PolarHBondContact O-OG1 2.81Å; P47-L103 HydrophobicContact CG-CD2 4.18Å | ||
| 48 | F | 74.6 | Confident | 78.1 | Confident | 126 Ų | 126 | 48.2 Ų | 48.2 | 55% | 0.553 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.7 | -178.7 | -56.8 | -65.5 | 0 | 0 | 0 | 113.7 | F78 | F48-F78 WeakPolarHBondContact CD1-O 3.46Å; F48-F78 WeakPolarHBondContact CE1-O 3.02Å; F48-F78 VanDerWaalsContact O-CD2 3.32Å; F48-F78 WeakPolarHBondContact O-CD2 3.34Å |
| 49 | N | 74.7 | Confident | 78.7 | Confident | 142 Ų | 142 | 47.2 Ų | 47.2 | 76% | 0.759 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.1 | 176 | -161.8 | 48.2 | 0 | 0 | 0 | 113 | P47 V51 | P47-N49 PolarHBondContact O-N 3.19Å; P47-N49 VanDerWaalsContact O-N 3.1Å; N49-V51 PolarHBondContact O-N 2.77Å |
| 50 | T | 74 | Confident | 78.7 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | trans | -68.9 | 119.2 | 178.1 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | L46 P47 D54 I55 | L46-T50 HydrophobicContact CB-CG2 4.35Å; L46-T50 HydrophobicContact CD1-CG2 4.31Å; L46-T50 HydrophobicContact CD2-CG2 4.19Å; P47-T50 WeakPolarHBondContact CD-OG1 3.28Å; P47-T50 VanDerWaalsContact CG-OG1 3.23Å; P47-T50 WeakPolarHBondContact CG-OG1 3.34Å; P47-T50 VanDerWaalsContact O-CB 3.29Å; P47-T50 WeakPolarHBondContact O-CB 3.01Å; P47-T50 PolarHBondContact O-N 2.74Å; P47-T50 PolarHBondContact O-OG1 2.81Å; T50-D54 HydrophobicContact CG2-CB 4.04Å; T50-I55 HydrophobicContact CG2-CD1 4.09Å; T50-I55 HydrophobicContact CG2-CG1 3.76Å | ||
| 51 | V | 77.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -100.6 | 171.4 | 171.5 | -64.8 | 0 | 0 | 0 | 0 | 111 | N49 G53 D54 I55 | N49-V51 PolarHBondContact O-N 2.77Å; V51-G53 PolarHBondContact O-N 3.09Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.46Å; V51-D54 PolarHBondContact N-OD2 2.8Å; V51-D54 PolarHBondContact O-N 3.18Å; V51-D54 VanDerWaalsContact O-N 3.08Å; V51-I55 PolarHBondContact O-N 2.73Å | ||
| 52 | Q | 77.9 | Confident | 78 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.3 | -35.1 | 176.7 | -165.1 | 160.6 | 39 | 0 | 0 | 112 | D54 I55 D56 V67 L69 | Q52-D54 PolarHBondContact O-N 3.49Å; Q52-I55 PolarHBondContact O-N 3.03Å; Q52-D56 WeakPolarHBondContact O-CB 3.37Å; Q52-D56 PolarHBondContact O-N 3.1Å; Q52-V67 HydrophobicContact CG-CB 4.16Å; Q52-V67 HydrophobicContact CG-CG1 4.12Å; Q52-V67 PolarHBondContact NE2-O 2.93Å; Q52-L69 HydrophobicContact CB-CD1 3.6Å; Q52-L69 HydrophobicContact CB-CD2 4.47Å; Q52-L69 HydrophobicContact CG-CD1 3.65Å |
| 53 | G | 78.7 | Confident | 77.6 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.5 | -31.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V51 A57 | V51-G53 PolarHBondContact O-N 3.09Å; G53-A57 VanDerWaalsContact O-CB 3.28Å; G53-A57 WeakPolarHBondContact O-CB 3.38Å; G53-A57 PolarHBondContact O-N 3.05Å |
| 54 | D | 80.3 | Confident | 77.3 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.9 | -41.5 | 174.7 | -65.2 | -75 | 0 | 0 | 0 | 110.9 | T50 V51 Q52 D56 A57 I58 | T50-D54 HydrophobicContact CG2-CB 4.04Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.46Å; V51-D54 PolarHBondContact N-OD2 2.8Å; V51-D54 PolarHBondContact O-N 3.18Å; V51-D54 VanDerWaalsContact O-N 3.08Å; Q52-D54 PolarHBondContact O-N 3.49Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D54-A57 PolarHBondContact O-N 2.73Å; D54-I58 WeakPolarHBondContact O-CB 3.49Å; D54-I58 WeakPolarHBondContact O-CD1 3.46Å; D54-I58 WeakPolarHBondContact O-CG1 3.37Å; D54-I58 PolarHBondContact O-N 3.45Å |
| 55 | I | 78.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.8 | -62.4 | 160.1 | 0 | 0 | 0 | 109 | L46 T50 V51 Q52 A57 I58 F59 V67 L69 C82 V84 | L46-I55 HydrophobicContact CD1-CD1 4.38Å; L46-I55 HydrophobicContact CD1-CG1 4.44Å; T50-I55 HydrophobicContact CG2-CD1 4.09Å; T50-I55 HydrophobicContact CG2-CG1 3.76Å; V51-I55 PolarHBondContact O-N 2.73Å; Q52-I55 PolarHBondContact O-N 3.03Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 2.79Å; I55-I58 PolarHBondContact O-N 3.45Å; I55-F59 HydrophobicContact CB-CD2 4.49Å; I55-F59 HydrophobicContact CG2-CD2 3.55Å; I55-F59 HydrophobicContact CG2-CE2 3.9Å; I55-F59 WeakPolarHBondContact O-CB 3.25Å; I55-F59 WeakPolarHBondContact O-CD2 3.17Å; I55-F59 PolarHBondContact O-N 2.81Å; I55-V67 HydrophobicContact CD1-CG1 4.31Å; I55-V67 HydrophobicContact CG2-CG1 4.1Å; I55-L69 HydrophobicContact CD1-CD1 4.5Å; I55-L69 HydrophobicContact CD1-CD2 3.66Å; I55-L69 HydrophobicContact CD1-CG 3.95Å; I55-C82 HydrophobicContact CD1-CB 3.85Å; I55-C82 VanDerWaalsContact CD1-SG 3.57Å; I55-V84 HydrophobicContact CG2-CG2 3.84Å |
| 56 | D | 79.6 | Confident | 77.1 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.3 | -164.8 | -102.3 | 0 | 0 | 0 | 111.7 | Q52 D54 F59 K60 | Q52-D56 WeakPolarHBondContact O-CB 3.37Å; Q52-D56 PolarHBondContact O-N 3.1Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D56-F59 CarbonylContact O-C 3.55Å; D56-F59 PolarHBondContact O-N 2.75Å; D56-K60 WeakPolarHBondContact O-CA 3.34Å; D56-K60 VanDerWaalsContact O-CB 3.25Å; D56-K60 WeakPolarHBondContact O-CB 3.17Å; D56-K60 PolarHBondContact O-N 3.11Å |
| 57 | A | 79.4 | Confident | 77.2 | Confident | 56 Ų | 56 | 72.3 Ų | 72.3 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G53 D54 I55 K60 | G53-A57 VanDerWaalsContact O-CB 3.28Å; G53-A57 WeakPolarHBondContact O-CB 3.38Å; G53-A57 PolarHBondContact O-N 3.05Å; D54-A57 PolarHBondContact O-N 2.73Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 2.79Å; A57-K60 WeakPolarHBondContact O-CD 3.36Å; A57-K60 WeakPolarHBondContact O-CG 3.44Å |
| 58 | I | 74.3 | Confident | 77.6 | Confident | 62 Ų | 62 | 79 Ų | 79 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 176.8 | -67.2 | 161.1 | 0 | 0 | 0 | 110.2 | D54 I55 | D54-I58 WeakPolarHBondContact O-CB 3.49Å; D54-I58 WeakPolarHBondContact O-CD1 3.46Å; D54-I58 WeakPolarHBondContact O-CG1 3.37Å; D54-I58 PolarHBondContact O-N 3.45Å; I55-I58 PolarHBondContact O-N 3.45Å |
| 59 | F | 73 | Confident | 78 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -100 | 19.1 | -177.2 | -60.6 | -66.2 | 0 | 0 | 0 | 112.6 | V43 I55 D56 E61 L62 I64 A95 | V43-F59 HydrophobicContact CG1-CE2 4.42Å; V43-F59 HydrophobicContact CG1-CZ 4.3Å; V43-F59 HydrophobicContact CG2-CE2 3.89Å; V43-F59 HydrophobicContact CG2-CZ 3.69Å; I55-F59 HydrophobicContact CB-CD2 4.49Å; I55-F59 HydrophobicContact CG2-CD2 3.55Å; I55-F59 HydrophobicContact CG2-CE2 3.9Å; I55-F59 WeakPolarHBondContact O-CB 3.25Å; I55-F59 WeakPolarHBondContact O-CD2 3.17Å; I55-F59 PolarHBondContact O-N 2.81Å; D56-F59 CarbonylContact O-C 3.55Å; D56-F59 PolarHBondContact O-N 2.75Å; F59-E61 PolarHBondContact O-N 2.84Å; F59-E61 VanDerWaalsContact O-N 3.17Å; F59-L62 HydrophobicContact CB-CD1 4.27Å; F59-L62 HydrophobicContact CB-CG 4.47Å; F59-L62 HydrophobicContact CD1-CD1 3.54Å; F59-L62 HydrophobicContact CD1-CG 4.43Å; F59-L62 HydrophobicContact CE1-CD1 4.35Å; F59-L62 HydrophobicContact CG-CD1 4.33Å; F59-L62 WeakPolarHBondContact O-CA 3.47Å; F59-L62 WeakPolarHBondContact O-CB 3.49Å; F59-L62 PolarHBondContact O-N 3.08Å; F59-I64 HydrophobicContact CB-CD1 3.64Å; F59-I64 HydrophobicContact CB-CG1 4.27Å; F59-A95 HydrophobicContact CE1-CB 4.4Å |
| 60 | K | 74.4 | Confident | 78.4 | Confident | 153 Ų | 153 | 69.4 Ų | 69.4 | 67% | 0.665 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.7 | -179.8 | 71.3 | -179.2 | -178 | 176.3 | 0 | 113 | D56 A57 | D56-K60 WeakPolarHBondContact O-CA 3.34Å; D56-K60 VanDerWaalsContact O-CB 3.25Å; D56-K60 WeakPolarHBondContact O-CB 3.17Å; D56-K60 PolarHBondContact O-N 3.11Å; A57-K60 WeakPolarHBondContact O-CD 3.36Å; A57-K60 WeakPolarHBondContact O-CG 3.44Å |
| 61 | E | 72.5 | Confident | 78.9 | Confident | 148 Ų | 148 | 74.7 Ų | 74.7 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.6 | 178.4 | -59.5 | -171.3 | 91.8 | 0 | 0 | 111.3 | F59 | F59-E61 PolarHBondContact O-N 2.84Å; F59-E61 VanDerWaalsContact O-N 3.17Å |
| 62 | L | 76.2 | Confident | 79.1 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -110.9 | 150.8 | -177.6 | -49.8 | -173 | 0 | 0 | 0 | 111 | F59 I64 F86 S91 E94 A95 | F59-L62 HydrophobicContact CB-CD1 4.27Å; F59-L62 HydrophobicContact CB-CG 4.47Å; F59-L62 HydrophobicContact CD1-CD1 3.54Å; F59-L62 HydrophobicContact CD1-CG 4.43Å; F59-L62 HydrophobicContact CE1-CD1 4.35Å; F59-L62 HydrophobicContact CG-CD1 4.33Å; F59-L62 WeakPolarHBondContact O-CA 3.47Å; F59-L62 WeakPolarHBondContact O-CB 3.49Å; F59-L62 PolarHBondContact O-N 3.08Å; L62-I64 PolarHBondContact O-N 3.39Å; L62-I64 VanDerWaalsContact O-N 3.09Å; L62-F86 HydrophobicContact CB-CD1 4.09Å; L62-F86 HydrophobicContact CB-CE1 3.73Å; L62-F86 HydrophobicContact CD1-CE1 3.72Å; L62-F86 HydrophobicContact CD1-CZ 4.07Å; L62-F86 HydrophobicContact CG-CE1 4.41Å; L62-S91 WeakPolarHBondContact CD1-O 3.29Å; L62-E94 HydrophobicContact CD2-CB 3.77Å; L62-E94 HydrophobicContact CD2-CG 4.43Å; L62-A95 HydrophobicContact CD1-CB 4.04Å |
| 63 | N | 76.3 | Confident | 78.9 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | trans | -84.1 | 86.9 | 179.6 | -74.2 | -42.7 | 0 | 0 | 0 | 111.2 | F86 D87 D88 S91 | N63-F86 VanDerWaalsContact O-CA 3.32Å; N63-F86 WeakPolarHBondContact O-CA 3.06Å; N63-D87 PolarHBondContact O-N 3.31Å; N63-D87 VanDerWaalsContact O-N 3.11Å; N63-D88 HydrophobicContact CB-CB 4.31Å; N63-S91 PolarHBondContact N-OG 2.65Å | ||
| 64 | I | 79.1 | Confident | 78.7 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.9 | 178 | -52.3 | 169 | 0 | 0 | 0 | 110.6 | F59 L62 V67 V84 E85 F86 | F59-I64 HydrophobicContact CB-CD1 3.64Å; F59-I64 HydrophobicContact CB-CG1 4.27Å; L62-I64 PolarHBondContact O-N 3.39Å; L62-I64 VanDerWaalsContact O-N 3.09Å; I64-V67 HydrophobicContact CD1-CG2 4.47Å; I64-V67 HydrophobicContact CG2-CG2 3.5Å; I64-V84 HydrophobicContact CB-CG1 4.37Å; I64-V84 HydrophobicContact CD1-CG1 4.35Å; I64-V84 HydrophobicContact CG1-CG1 3.99Å; I64-V84 HydrophobicContact CG2-CG1 3.63Å; I64-E85 CarbonylContact C-O 3.59Å; I64-F86 HydrophobicContact CG1-CD1 4.11Å; I64-F86 HydrophobicContact CG1-CE1 3.79Å |
| 65 | R | 81.4 | Confident | 78.4 | Confident | 147 Ų | 147 | 85.6 Ų | 85.6 | 56% | 0.555 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | -42.9 | 171.1 | 178.4 | 175.3 | 175.1 | 154 | 0.1 | 112.5 | E85 D87 | R65-E85 HydrophobicContact CB-CB 4.49Å; R65-E85 HydrophobicContact CB-CG 4.22Å; R65-E85 WeakPolarHBondContact CD-OE1 3.29Å; R65-E85 WeakPolarHBondContact CG-OE1 3.25Å; R65-E85 PolarHBondContact N-O 2.88Å; R65-E85 IonicContact NE-OE1 3.19Å; R65-E85 PolarHBondContact NE-OE1 2.99Å; R65-D87 VanDerWaalsContact CD-OD2 3.28Å; R65-D87 WeakPolarHBondContact CD-OD2 3.14Å; R65-D87 IonicContact NH1-OD2 3.5Å; R65-D87 PolarHBondContact NH1-OD2 2.87Å |
| 66 | S | 79.8 | Confident | 78.2 | Confident | 62 Ų | 62 | 90.9 Ų | 90.9 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 137.2 | -176.3 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | E85 | S66-E85 PolarHBondContact N-O 3.13Å; S66-E85 WeakPolarHBondContact O-CB 3.38Å; S66-E85 PolarHBondContact O-N 3.2Å |
| 67 | V | 84.1 | Confident | 78.1 | Confident | 21 Ų | 21 | 93.3 Ų | 93.3 | 13% | 0.127 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | Q52 I55 I64 L69 V84 | Q52-V67 HydrophobicContact CG-CB 4.16Å; Q52-V67 HydrophobicContact CG-CG1 4.12Å; Q52-V67 PolarHBondContact NE2-O 2.93Å; I55-V67 HydrophobicContact CD1-CG1 4.31Å; I55-V67 HydrophobicContact CG2-CG1 4.1Å; I64-V67 HydrophobicContact CD1-CG2 4.47Å; I64-V67 HydrophobicContact CG2-CG2 3.5Å; V67-L69 HydrophobicContact CG1-CD1 3.84Å; V67-L69 HydrophobicContact CG1-CG 4.43Å; V67-V84 HydrophobicContact CG1-CG2 4.37Å; V67-V84 HydrophobicContact CG2-CG1 4.28Å |
| 68 | R | 83.6 | Confident | 78 | Confident | 180 Ų | 180 | 92.6 Ų | 92.6 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 104.6 | 176.4 | -175.8 | 177.4 | -179.6 | 177.5 | 0.6 | 110.9 | C82 Y83 | R68-C82 WeakPolarHBondContact O-CA 3.17Å; R68-Y83 PolarHBondContact N-O 3.44Å; R68-Y83 PolarHBondContact O-N 3.35Å |
| 69 | L | 83.9 | Confident | 78.2 | Confident | 29 Ų | 29 | 95.6 Ų | 95.6 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.2 | 173.6 | -62 | 93.1 | 0 | 0 | 0 | 110.2 | Q52 I55 V67 F78 C82 | Q52-L69 HydrophobicContact CB-CD1 3.6Å; Q52-L69 HydrophobicContact CB-CD2 4.47Å; Q52-L69 HydrophobicContact CG-CD1 3.65Å; I55-L69 HydrophobicContact CD1-CD1 4.5Å; I55-L69 HydrophobicContact CD1-CD2 3.66Å; I55-L69 HydrophobicContact CD1-CG 3.95Å; V67-L69 HydrophobicContact CG1-CD1 3.84Å; V67-L69 HydrophobicContact CG1-CG 4.43Å; L69-F78 HydrophobicContact CB-CE1 4.23Å; L69-F78 HydrophobicContact CD2-CD1 4.32Å; L69-F78 HydrophobicContact CD2-CE1 3.66Å; L69-C82 HydrophobicContact CG-CB 4.21Å |
| 70 | V | 82.9 | Confident | 78.5 | Confident | 36 Ų | 36 | 95.7 Ų | 95.7 | 22% | 0.218 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.8 | 174.4 | -178 | 0 | 0 | 0 | 0 | 109.5 | K79 F81 Y83 | V70-K79 HydrophobicContact CG1-CD 4.4Å; V70-K79 WeakPolarHBondContact O-CB 3.48Å; V70-K79 PolarHBondContact O-N 3.49Å; V70-K79 VanDerWaalsContact O-N 3.17Å; V70-F81 HydrophobicContact CB-CD2 3.71Å; V70-F81 HydrophobicContact CB-CE2 3.28Å; V70-F81 HydrophobicContact CB-CZ 3.92Å; V70-F81 HydrophobicContact CG1-CD2 4.38Å; V70-F81 HydrophobicContact CG1-CE2 3.49Å; V70-F81 VanDerWaalsContact CG1-CE2 3.49Å; V70-F81 HydrophobicContact CG1-CZ 3.65Å; V70-F81 HydrophobicContact CG2-CD2 3.93Å; V70-F81 HydrophobicContact CG2-CE2 3.52Å; V70-F81 PolarHBondContact N-O 2.84Å; V70-Y83 HydrophobicContact CG2-CD2 3.97Å; V70-Y83 HydrophobicContact CG2-CE2 3.77Å |
| 71 | R | 82.7 | Confident | 79 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 46% | 0.457 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 148.2 | 174.7 | -51.2 | -174.9 | -140.1 | 176.1 | 2.9 | 109.1 | F78 | R71-F78 VanDerWaalsContact CD-CE1 3.44Å; R71-F78 HydrophobicContact CG-CD1 3.59Å; R71-F78 HydrophobicContact CG-CE1 3.54Å; R71-F78 HydrophobicContact CG-CG 4.2Å; R71-F78 HydrophobicContact CG-CZ 4.13Å |
| 72 | D | 81.7 | Confident | 79.6 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | trans | -68.6 | 128.6 | 173.2 | -171.5 | -100.8 | 0 | 0 | 0 | 109.7 | E74 T75 D76 K77 | D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.9Å; D72-E74 PolarHBondContact OD1-N 3.44Å; D72-T75 WeakPolarHBondContact CB-OG1 3.13Å; D72-T75 PolarHBondContact OD1-N 3.49Å; D72-T75 PolarHBondContact OD1-OG1 2.78Å; D72-D76 WeakPolarHBondContact O-CA 3.19Å; D72-D76 PolarHBondContact O-N 3.26Å; D72-K77 WeakPolarHBondContact CB-O 3.4Å; D72-K77 PolarHBondContact N-O 2.96Å | ||
| 73 | K | 74.1 | Confident | 80.1 | Confident | 205 Ų | 205 | 86.4 Ų | 86.4 | 89% | 0.891 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.3 | -174.6 | -74.1 | -174.5 | 174.6 | -170.7 | 0 | 113.7 | ||
| 74 | E | 74.3 | Confident | 80.5 | Confident | 187 Ų | 187 | 81.4 Ų | 81.4 | 87% | 0.874 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -36.9 | -175.5 | -59.9 | -171.3 | 86.8 | 0 | 0 | 111.1 | D72 | D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.9Å; D72-E74 PolarHBondContact OD1-N 3.44Å |
| 75 | T | 75.4 | Confident | 80.7 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -6.9 | -178.3 | 59.5 | 0 | 0 | 0 | 0 | 114 | D72 K77 | D72-T75 WeakPolarHBondContact CB-OG1 3.13Å; D72-T75 PolarHBondContact OD1-N 3.49Å; D72-T75 PolarHBondContact OD1-OG1 2.78Å; T75-K77 PolarHBondContact O-N 3.17Å |
| 76 | D | 74.4 | Confident | 80.8 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | trans | 51 | 13.3 | -167.3 | -147.2 | -103.6 | 0 | 0 | 0 | 113.7 | D72 | D72-D76 WeakPolarHBondContact O-CA 3.19Å; D72-D76 PolarHBondContact O-N 3.26Å | ||
| 77 | K | 76 | Confident | 80.7 | Confident | 141 Ų | 141 | 76.2 Ų | 76.2 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | trans | -78 | 137.4 | 179 | -67.8 | -179.4 | -177.2 | -178.1 | 0 | 109 | D72 T75 K79 | D72-K77 WeakPolarHBondContact CB-O 3.4Å; D72-K77 PolarHBondContact N-O 2.96Å; T75-K77 PolarHBondContact O-N 3.17Å; K77-K79 PolarHBondContact O-N 2.91Å | ||
| 78 | F | 78.1 | Confident | 80.5 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 132.4 | 172.2 | -79.8 | -84.8 | 0 | 0 | 0 | 110.1 | F48 L69 R71 G80 | F48-F78 WeakPolarHBondContact CD1-O 3.46Å; F48-F78 WeakPolarHBondContact CE1-O 3.02Å; F48-F78 VanDerWaalsContact O-CD2 3.32Å; F48-F78 WeakPolarHBondContact O-CD2 3.34Å; L69-F78 HydrophobicContact CB-CE1 4.23Å; L69-F78 HydrophobicContact CD2-CD1 4.32Å; L69-F78 HydrophobicContact CD2-CE1 3.66Å; R71-F78 VanDerWaalsContact CD-CE1 3.44Å; R71-F78 HydrophobicContact CG-CD1 3.59Å; R71-F78 HydrophobicContact CG-CE1 3.54Å; R71-F78 HydrophobicContact CG-CG 4.2Å; R71-F78 HydrophobicContact CG-CZ 4.13Å; F78-G80 PolarHBondContact O-N 2.76Å |
| 79 | K | 77.7 | Confident | 80.1 | Confident | 125 Ų | 125 | 72 Ų | 72 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -0.9 | -179.2 | -150.7 | 167.5 | 161.5 | 171.4 | 0 | 112.5 | V70 K77 F81 | V70-K79 HydrophobicContact CG1-CD 4.4Å; V70-K79 WeakPolarHBondContact O-CB 3.48Å; V70-K79 PolarHBondContact O-N 3.49Å; V70-K79 VanDerWaalsContact O-N 3.17Å; K77-K79 PolarHBondContact O-N 2.91Å; K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 HydrophobicContact CB-CD1 3.82Å; K79-F81 HydrophobicContact CB-CE1 3.5Å; K79-F81 VanDerWaalsContact CB-CE1 3.5Å; K79-F81 HydrophobicContact CB-CZ 4.06Å; K79-F81 HydrophobicContact CD-CD1 4.37Å; K79-F81 HydrophobicContact CD-CE1 3.27Å; K79-F81 HydrophobicContact CD-CZ 3.45Å; K79-F81 VanDerWaalsContact CD-CZ 3.45Å; K79-F81 HydrophobicContact CG-CD1 3.93Å; K79-F81 HydrophobicContact CG-CE1 3.24Å; K79-F81 HydrophobicContact CG-CZ 3.93Å; K79-F81 WeakPolarHBondContact O-CD1 3.38Å |
| 80 | G | 79.8 | Confident | 79.9 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77 | 20.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G44 N45 L46 F78 | G44-G80 CarbonylContact C-O 3.46Å; N45-G80 PolarHBondContact N-O 2.84Å; L46-G80 PolarHBondContact N-O 3.5Å; L46-G80 WeakPolarHBondContact O-CA 3.45Å; F78-G80 PolarHBondContact O-N 2.76Å |
| 81 | F | 84.7 | Confident | 79.5 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 151.2 | 174.1 | 61.2 | -96.6 | 0 | 0 | 0 | 113.6 | Y42 V43 V70 K79 Y83 | Y42-F81 HydrophobicContact CE2-CB 3.58Å; Y42-F81 AromaticContact CE2-CD2 3.97Å; Y42-F81 HydrophobicContact CE2-CD2 3.97Å; Y42-F81 AromaticContact CE2-CG 3.94Å; Y42-F81 HydrophobicContact CE2-CG 3.94Å; V43-F81 CarbonylContact O-C 3.5Å; V43-F81 WeakPolarHBondContact O-CA 3.28Å; V70-F81 HydrophobicContact CB-CD2 3.71Å; V70-F81 HydrophobicContact CB-CE2 3.28Å; V70-F81 HydrophobicContact CB-CZ 3.92Å; V70-F81 HydrophobicContact CG1-CD2 4.38Å; V70-F81 HydrophobicContact CG1-CE2 3.49Å; V70-F81 VanDerWaalsContact CG1-CE2 3.49Å; V70-F81 HydrophobicContact CG1-CZ 3.65Å; V70-F81 HydrophobicContact CG2-CD2 3.93Å; V70-F81 HydrophobicContact CG2-CE2 3.52Å; V70-F81 PolarHBondContact N-O 2.84Å; K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 HydrophobicContact CB-CD1 3.82Å; K79-F81 HydrophobicContact CB-CE1 3.5Å; K79-F81 VanDerWaalsContact CB-CE1 3.5Å; K79-F81 HydrophobicContact CB-CZ 4.06Å; K79-F81 HydrophobicContact CD-CD1 4.37Å; K79-F81 HydrophobicContact CD-CE1 3.27Å; K79-F81 HydrophobicContact CD-CZ 3.45Å; K79-F81 VanDerWaalsContact CD-CZ 3.45Å; K79-F81 HydrophobicContact CG-CD1 3.93Å; K79-F81 HydrophobicContact CG-CE1 3.24Å; K79-F81 HydrophobicContact CG-CZ 3.93Å; K79-F81 WeakPolarHBondContact O-CD1 3.38Å; F81-Y83 HydrophobicContact CD2-CE2 4.07Å; F81-Y83 HydrophobicContact CE2-CE2 4.08Å |
| 82 | C | 85.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.7 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 110.9 | V43 L46 I55 R68 L69 | V43-C82 PolarHBondContact N-O 3.24Å; V43-C82 PolarHBondContact O-N 3.37Å; L46-C82 HydrophobicContact CD1-CB 4.37Å; L46-C82 VanDerWaalsContact CD1-SG 3.57Å; I55-C82 HydrophobicContact CD1-CB 3.85Å; I55-C82 VanDerWaalsContact CD1-SG 3.57Å; R68-C82 WeakPolarHBondContact O-CA 3.17Å; L69-C82 HydrophobicContact CG-CB 4.21Å |
| 83 | Y | 86.6 | Confident | 79 | Confident | 84 Ų | 84 | 74.4 Ų | 74.4 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.1 | 169 | -61.2 | -87.5 | 0 | 0 | 0 | 107.8 | T40 A41 Y42 R68 V70 F81 A113 | T40-Y83 HydrophobicContact CG2-CD1 4.37Å; A41-Y83 CarbonylContact O-C 3.37Å; A41-Y83 WeakPolarHBondContact O-CA 3.47Å; Y42-Y83 HydrophobicContact CD2-CD1 4.25Å; Y42-Y83 AromaticContact CD2-CE1 3.69Å; Y42-Y83 HydrophobicContact CD2-CE1 3.69Å; Y42-Y83 AromaticContact CD2-CZ 3.93Å; Y42-Y83 HydrophobicContact CG-CE1 4.48Å; R68-Y83 PolarHBondContact N-O 3.44Å; R68-Y83 PolarHBondContact O-N 3.35Å; V70-Y83 HydrophobicContact CG2-CD2 3.97Å; V70-Y83 HydrophobicContact CG2-CE2 3.77Å; F81-Y83 HydrophobicContact CD2-CE2 4.07Å; F81-Y83 HydrophobicContact CE2-CE2 4.08Å; Y83-A113 HydrophobicContact CD1-CB 4.09Å; Y83-A113 HydrophobicContact CE1-CB 4.33Å |
| 84 | V | 83.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.4 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | T40 A41 V43 I55 I64 V67 F86 | T40-V84 CarbonylContact C-O 3.42Å; T40-V84 VanDerWaalsContact CA-O 3.29Å; T40-V84 WeakPolarHBondContact CA-O 3.42Å; T40-V84 WeakPolarHBondContact CG2-O 3.34Å; A41-V84 PolarHBondContact N-O 3.46Å; A41-V84 PolarHBondContact O-N 3Å; V43-V84 HydrophobicContact CG2-CG2 4.35Å; I55-V84 HydrophobicContact CG2-CG2 3.84Å; I64-V84 HydrophobicContact CB-CG1 4.37Å; I64-V84 HydrophobicContact CD1-CG1 4.35Å; I64-V84 HydrophobicContact CG1-CG1 3.99Å; I64-V84 HydrophobicContact CG2-CG1 3.63Å; V67-V84 HydrophobicContact CG1-CG2 4.37Å; V67-V84 HydrophobicContact CG2-CG1 4.28Å; V84-F86 HydrophobicContact CB-CE2 3.74Å; V84-F86 HydrophobicContact CB-CZ 3.77Å; V84-F86 HydrophobicContact CG1-CD1 4.23Å; V84-F86 HydrophobicContact CG1-CD2 4.21Å; V84-F86 HydrophobicContact CG1-CE1 3.62Å; V84-F86 HydrophobicContact CG1-CE2 3.58Å; V84-F86 HydrophobicContact CG1-CZ 3.26Å |
| 85 | E | 85 | Confident | 79.2 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.4 | 173.2 | -171.6 | 175 | 90.3 | 0 | 0 | 108.1 | P38 F39 I64 R65 S66 | P38-E85 HydrophobicContact CB-CG 3.76Å; P38-E85 WeakPolarHBondContact CB-OE2 3.46Å; F39-E85 CarbonylContact O-C 3.58Å; F39-E85 WeakPolarHBondContact O-CA 3.49Å; I64-E85 CarbonylContact C-O 3.59Å; R65-E85 HydrophobicContact CB-CB 4.49Å; R65-E85 HydrophobicContact CB-CG 4.22Å; R65-E85 WeakPolarHBondContact CD-OE1 3.29Å; R65-E85 WeakPolarHBondContact CG-OE1 3.25Å; R65-E85 PolarHBondContact N-O 2.88Å; R65-E85 IonicContact NE-OE1 3.19Å; R65-E85 PolarHBondContact NE-OE1 2.99Å; S66-E85 PolarHBondContact N-O 3.13Å; S66-E85 WeakPolarHBondContact O-CB 3.38Å; S66-E85 PolarHBondContact O-N 3.2Å |
| 86 | F | 81.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 149.3 | 177.8 | -58.2 | -84.2 | 0 | 0 | 0 | 109.8 | F39 A41 L62 N63 I64 V84 A95 | F39-F86 HydrophobicContact CB-CB 4.21Å; F39-F86 PolarHBondContact N-O 3.22Å; F39-F86 PolarHBondContact O-N 2.74Å; A41-F86 HydrophobicContact CB-CD2 4.35Å; A41-F86 HydrophobicContact CB-CE2 3.59Å; L62-F86 HydrophobicContact CB-CD1 4.09Å; L62-F86 HydrophobicContact CB-CE1 3.73Å; L62-F86 HydrophobicContact CD1-CE1 3.72Å; L62-F86 HydrophobicContact CD1-CZ 4.07Å; L62-F86 HydrophobicContact CG-CE1 4.41Å; N63-F86 VanDerWaalsContact O-CA 3.32Å; N63-F86 WeakPolarHBondContact O-CA 3.06Å; I64-F86 HydrophobicContact CG1-CD1 4.11Å; I64-F86 HydrophobicContact CG1-CE1 3.79Å; V84-F86 HydrophobicContact CB-CE2 3.74Å; V84-F86 HydrophobicContact CB-CZ 3.77Å; V84-F86 HydrophobicContact CG1-CD1 4.23Å; V84-F86 HydrophobicContact CG1-CD2 4.21Å; V84-F86 HydrophobicContact CG1-CE1 3.62Å; V84-F86 HydrophobicContact CG1-CE2 3.58Å; V84-F86 HydrophobicContact CG1-CZ 3.26Å; F86-A95 HydrophobicContact CZ-CB 4.39Å |
| 87 | D | 79 | Confident | 79.5 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -87.3 | -16.4 | 172.3 | -128.7 | -106.7 | 0 | 0 | 0 | 111.8 | F39 N63 R65 | F39-D87 WeakPolarHBondContact CE2-O 3.27Å; N63-D87 PolarHBondContact O-N 3.31Å; N63-D87 VanDerWaalsContact O-N 3.11Å; R65-D87 VanDerWaalsContact CD-OD2 3.28Å; R65-D87 WeakPolarHBondContact CD-OD2 3.14Å; R65-D87 IonicContact NH1-OD2 3.5Å; R65-D87 PolarHBondContact NH1-OD2 2.87Å |
| 88 | D | 79.1 | Confident | 79.3 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | trans | -118.2 | 142.8 | -170.9 | -154.6 | -74.8 | 0 | 0 | 0 | 113.4 | N63 E90 L92 | N63-D88 HydrophobicContact CB-CB 4.31Å; D88-E90 VanDerWaalsContact OD1-CB 3.28Å; D88-E90 WeakPolarHBondContact OD1-CB 3.32Å; D88-E90 PolarHBondContact OD1-N 2.88Å; D88-L92 PolarHBondContact O-N 2.88Å | ||
| 89 | L | 75.9 | Confident | 79.2 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.3 | -36.7 | 176.1 | -74.1 | 172 | 0 | 0 | 0 | 112.4 | L33 P34 F39 S91 L92 K93 | L33-L89 HydrophobicContact CB-CD2 4.05Å; P34-L89 VanDerWaalsContact O-CD2 3.29Å; P34-L89 WeakPolarHBondContact O-CD2 3.18Å; F39-L89 HydrophobicContact CD1-CD2 3.56Å; F39-L89 HydrophobicContact CD1-CG 4.43Å; F39-L89 HydrophobicContact CD2-CD2 4.33Å; F39-L89 HydrophobicContact CD2-CG 4.41Å; F39-L89 HydrophobicContact CE1-CD2 3.17Å; F39-L89 HydrophobicContact CE1-CG 3.86Å; F39-L89 HydrophobicContact CE2-CD2 3.95Å; F39-L89 HydrophobicContact CE2-CG 3.77Å; F39-L89 HydrophobicContact CG-CD2 4.15Å; F39-L89 HydrophobicContact CZ-CD1 4.23Å; F39-L89 HydrophobicContact CZ-CD2 3.37Å; F39-L89 HydrophobicContact CZ-CG 3.47Å; F39-L89 VanDerWaalsContact CZ-CG 3.47Å; L89-S91 VanDerWaalsContact C-N 3.25Å; L89-S91 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 2.92Å; L89-K93 PolarHBondContact O-N 2.96Å; L89-K93 VanDerWaalsContact O-N 3.09Å |
| 90 | E | 79.4 | Confident | 78.8 | Confident | 147 Ų | 147 | 52.6 Ų | 52.6 | 69% | 0.687 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 177.2 | -62.4 | -169.2 | 88.1 | 0 | 0 | 109.6 | D88 L92 K93 E94 | D88-E90 VanDerWaalsContact OD1-CB 3.28Å; D88-E90 WeakPolarHBondContact OD1-CB 3.32Å; D88-E90 PolarHBondContact OD1-N 2.88Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.27Å; E90-K93 PolarHBondContact O-N 3.37Å; E90-K93 VanDerWaalsContact O-N 3.13Å; E90-E94 WeakPolarHBondContact O-CG 3.49Å; E90-E94 PolarHBondContact O-N 3.01Å |
| 91 | S | 74.8 | Confident | 78.3 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.2 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | L62 N63 L89 K93 A95 | L62-S91 WeakPolarHBondContact CD1-O 3.29Å; N63-S91 PolarHBondContact N-OG 2.65Å; L89-S91 VanDerWaalsContact C-N 3.25Å; L89-S91 PolarHBondContact O-N 2.88Å; S91-K93 VanDerWaalsContact C-N 3.35Å; S91-A95 WeakPolarHBondContact O-CB 3.23Å; S91-A95 PolarHBondContact O-N 3.12Å |
| 92 | L | 75.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.3 | -174.3 | 64.6 | 0 | 0 | 0 | 112.1 | L33 F39 A41 D88 L89 E90 A95 L96 I112 | L33-L92 HydrophobicContact CD2-CB 4.11Å; L33-L92 HydrophobicContact CD2-CD2 3.61Å; L33-L92 HydrophobicContact CD2-CG 3.9Å; F39-L92 HydrophobicContact CB-CB 4.47Å; F39-L92 HydrophobicContact CB-CD2 4.19Å; A41-L92 HydrophobicContact CB-CD1 3.94Å; D88-L92 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 2.92Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 3.27Å; L92-A95 PolarHBondContact O-N 3.32Å; L92-L96 PolarHBondContact O-N 3.46Å; L92-I112 HydrophobicContact CD1-CG1 4.03Å; L92-I112 HydrophobicContact CD1-CG2 4.42Å; L92-I112 HydrophobicContact CD2-CD1 4.46Å; L92-I112 HydrophobicContact CD2-CG1 4.17Å; L92-I112 HydrophobicContact CD2-CG2 4.06Å; L92-I112 HydrophobicContact CG-CG1 4.1Å |
| 93 | K | 79 | Confident | 76.5 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.5 | -42.8 | 178.4 | -171 | -176.5 | 175.9 | -168.2 | 0 | 112 | L89 E90 S91 A95 L96 T97 | L89-K93 PolarHBondContact O-N 2.96Å; L89-K93 VanDerWaalsContact O-N 3.09Å; E90-K93 PolarHBondContact O-N 3.37Å; E90-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 VanDerWaalsContact C-N 3.35Å; K93-A95 VanDerWaalsContact C-N 3.34Å; K93-L96 WeakPolarHBondContact O-CB 3.29Å; K93-L96 PolarHBondContact O-N 3.31Å; K93-T97 PolarHBondContact O-N 3.37Å; K93-T97 PolarHBondContact O-OG1 3.08Å |
| 94 | E | 78.6 | Confident | 75.6 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.9 | -69.6 | -61 | 99.9 | 0 | 0 | 110.4 | L62 E90 L96 T97 Y98 | L62-E94 HydrophobicContact CD2-CB 3.77Å; L62-E94 HydrophobicContact CD2-CG 4.43Å; E90-E94 WeakPolarHBondContact O-CG 3.49Å; E90-E94 PolarHBondContact O-N 3.01Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.01Å; E94-T97 WeakPolarHBondContact O-CA 3.5Å; E94-T97 VanDerWaalsContact O-CB 3.28Å; E94-T97 WeakPolarHBondContact O-CB 3.47Å; E94-T97 PolarHBondContact O-N 2.9Å; E94-Y98 WeakPolarHBondContact O-CD2 3.2Å; E94-Y98 PolarHBondContact O-N 3.27Å |
| 95 | A | 74.3 | Confident | 75 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.6 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | F59 L62 F86 S91 L92 K93 T97 Y98 V110 | F59-A95 HydrophobicContact CE1-CB 4.4Å; L62-A95 HydrophobicContact CD1-CB 4.04Å; F86-A95 HydrophobicContact CZ-CB 4.39Å; S91-A95 WeakPolarHBondContact O-CB 3.23Å; S91-A95 PolarHBondContact O-N 3.12Å; L92-A95 PolarHBondContact O-N 3.32Å; K93-A95 VanDerWaalsContact C-N 3.34Å; A95-T97 VanDerWaalsContact C-N 3.32Å; A95-T97 PolarHBondContact O-N 2.87Å; A95-Y98 WeakPolarHBondContact O-CB 3.36Å; A95-Y98 PolarHBondContact O-N 3.17Å; A95-Y98 VanDerWaalsContact O-N 3.17Å; A95-V110 HydrophobicContact CB-CG1 4.15Å; A95-V110 WeakPolarHBondContact O-CB 3.42Å; A95-V110 VanDerWaalsContact O-CG1 3.23Å; A95-V110 WeakPolarHBondContact O-CG1 3.27Å |
| 96 | L | 76.1 | Confident | 74.3 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 173.8 | -79.4 | 156.9 | 0 | 0 | 0 | 113.1 | L92 K93 E94 Y98 D99 I112 | L92-L96 PolarHBondContact O-N 3.46Å; K93-L96 WeakPolarHBondContact O-CB 3.29Å; K93-L96 PolarHBondContact O-N 3.31Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.01Å; L96-Y98 PolarHBondContact O-N 2.91Å; L96-D99 VanDerWaalsContact O-CB 3.28Å; L96-D99 WeakPolarHBondContact O-CB 3.46Å; L96-D99 PolarHBondContact O-N 3.32Å; L96-D99 VanDerWaalsContact O-N 3.08Å; L96-I112 HydrophobicContact CD1-CD1 3.37Å; L96-I112 HydrophobicContact CD1-CG1 3.67Å; L96-I112 HydrophobicContact CD2-CD1 4.05Å; L96-I112 HydrophobicContact CD2-CG1 3.84Å; L96-I112 HydrophobicContact CG-CD1 4.13Å; L96-I112 HydrophobicContact CG-CG1 3.93Å |
| 97 | T | 78.4 | Confident | 74.2 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 65% | 0.65 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.3 | -26.7 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | K93 E94 A95 D99 | K93-T97 PolarHBondContact O-N 3.37Å; K93-T97 PolarHBondContact O-OG1 3.08Å; E94-T97 WeakPolarHBondContact O-CA 3.5Å; E94-T97 VanDerWaalsContact O-CB 3.28Å; E94-T97 WeakPolarHBondContact O-CB 3.47Å; E94-T97 PolarHBondContact O-N 2.9Å; A95-T97 VanDerWaalsContact C-N 3.32Å; A95-T97 PolarHBondContact O-N 2.87Å; T97-D99 VanDerWaalsContact C-N 3.31Å; T97-D99 PolarHBondContact O-N 3.49Å |
| 98 | Y | 71.9 | Confident | 74.4 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 41% | 0.408 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2 | 173.1 | -72.3 | -81 | 0 | 0 | 0 | 114.2 | E94 A95 L96 G100 A101 | E94-Y98 WeakPolarHBondContact O-CD2 3.2Å; E94-Y98 PolarHBondContact O-N 3.27Å; A95-Y98 WeakPolarHBondContact O-CB 3.36Å; A95-Y98 PolarHBondContact O-N 3.17Å; A95-Y98 VanDerWaalsContact O-N 3.17Å; L96-Y98 PolarHBondContact O-N 2.91Å; Y98-G100 PolarHBondContact O-N 2.82Å; Y98-A101 WeakPolarHBondContact O-CB 3.41Å; Y98-A101 PolarHBondContact O-N 3.25Å |
| 99 | D | 76.2 | Confident | 74.6 | Confident | 52 Ų | 52 | 74 Ų | 74 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 128.2 | 171.2 | -178.1 | -129.3 | 0 | 0 | 0 | 111 | R28 L96 T97 R109 V110 | R28-D99 IonicContact NH1-OD1 2.81Å; R28-D99 PolarHBondContact NH1-OD1 3.17Å; R28-D99 IonicContact NH1-OD2 3.52Å; L96-D99 VanDerWaalsContact O-CB 3.28Å; L96-D99 WeakPolarHBondContact O-CB 3.46Å; L96-D99 PolarHBondContact O-N 3.32Å; L96-D99 VanDerWaalsContact O-N 3.08Å; T97-D99 VanDerWaalsContact C-N 3.31Å; T97-D99 PolarHBondContact O-N 3.49Å; D99-R109 WeakPolarHBondContact OD2-CA 3.45Å; D99-V110 HydrophobicContact CB-CB 4.13Å; D99-V110 WeakPolarHBondContact CB-O 3.35Å; D99-V110 PolarHBondContact OD2-N 3.27Å |
| 100 | G | 68.8 | Low | 74.9 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 2.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y98 L102 L108 | Y98-G100 PolarHBondContact O-N 2.82Å; G100-L102 PolarHBondContact O-N 3.47Å; G100-L108 WeakPolarHBondContact CA-O 3.23Å; G100-L108 PolarHBondContact N-O 2.89Å |
| 101 | A | 69.3 | Low | 75 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | trans | -59.7 | 133.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y98 L103 L108 | Y98-A101 WeakPolarHBondContact O-CB 3.41Å; Y98-A101 PolarHBondContact O-N 3.25Å; A101-L103 PolarHBondContact O-N 2.96Å; A101-L108 HydrophobicContact CB-CD1 4.33Å; A101-L108 WeakPolarHBondContact O-CB 3.36Å; A101-L108 WeakPolarHBondContact O-CG 3.28Å; A101-L108 PolarHBondContact O-N 3.22Å | ||
| 102 | L | 69.3 | Low | 75.2 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 107 | 178.6 | -74 | 157.9 | 0 | 0 | 0 | 109.7 | G100 | G100-L102 PolarHBondContact O-N 3.47Å |
| 103 | L | 64.3 | Low | 75.1 | Confident | 67 Ų | 67 | 68 Ų | 68 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 91 | 171.4 | -164.4 | 80.2 | 0 | 0 | 0 | 108.8 | P47 A101 D105 R106 L108 | P47-L103 HydrophobicContact CG-CD2 4.18Å; A101-L103 PolarHBondContact O-N 2.96Å; L103-D105 PolarHBondContact O-N 3.3Å; L103-R106 PolarHBondContact N-O 3.33Å; L103-R106 PolarHBondContact O-N 3.09Å; L103-L108 HydrophobicContact CB-CD1 3.92Å; L103-L108 HydrophobicContact CB-CD2 3.96Å; L103-L108 HydrophobicContact CB-CG 3.76Å; L103-L108 HydrophobicContact CD1-CD1 4.48Å; L103-L108 HydrophobicContact CD2-CD1 4.47Å; L103-L108 HydrophobicContact CD2-CD2 4.03Å |
| 104 | G | 68.6 | Low | 74.4 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -126.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R106 | G104-R106 VanDerWaalsContact C-N 3.3Å; G104-R106 PolarHBondContact O-N 2.73Å |
| 105 | D | 70.8 | Confident | 73.2 | Confident | 175 Ų | 175 | 64.8 Ų | 64.8 | 94% | 0.936 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 8.2 | 177.3 | -76.3 | -87.4 | 0 | 0 | 0 | 114.2 | L103 | L103-D105 PolarHBondContact O-N 3.3Š|
| 106 | R | 70.6 | Confident | 72 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 37% | 0.366 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.2 | -173.8 | -63.8 | -174.1 | -175.9 | -176.4 | 1.8 | 111.7 | L103 G104 | L103-R106 PolarHBondContact N-O 3.33Å; L103-R106 PolarHBondContact O-N 3.09Å; G104-R106 VanDerWaalsContact C-N 3.3Å; G104-R106 PolarHBondContact O-N 2.73Å |
| 107 | S | 79.2 | Confident | 70.7 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.2 | 173 | 44.9 | 0 | 0 | 0 | 0 | 110.9 | N45 | N45-S107 VanDerWaalsContact CB-O 3.27Å; N45-S107 WeakPolarHBondContact CB-O 3.44Å; N45-S107 PolarHBondContact ND2-O 3.06Å |
| 108 | L | 83 | Confident | 69.3 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 7% | 0.073 | 43% | 0.434 | C | S | . | . | trans | -60.9 | 144.2 | 171.7 | -64.9 | 177.3 | 0 | 0 | 0 | 109.8 | L46 G100 A101 L103 | L46-L108 HydrophobicContact CD2-CD2 3.47Å; L46-L108 VanDerWaalsContact CD2-CD2 3.47Å; L46-L108 HydrophobicContact CG-CD2 4.36Å; G100-L108 WeakPolarHBondContact CA-O 3.23Å; G100-L108 PolarHBondContact N-O 2.89Å; A101-L108 HydrophobicContact CB-CD1 4.33Å; A101-L108 WeakPolarHBondContact O-CB 3.36Å; A101-L108 WeakPolarHBondContact O-CG 3.28Å; A101-L108 PolarHBondContact O-N 3.22Å; L103-L108 HydrophobicContact CB-CD1 3.92Å; L103-L108 HydrophobicContact CB-CD2 3.96Å; L103-L108 HydrophobicContact CB-CG 3.76Å; L103-L108 HydrophobicContact CD1-CD1 4.48Å; L103-L108 HydrophobicContact CD2-CD1 4.47Å; L103-L108 HydrophobicContact CD2-CD2 4.03Å | ||
| 109 | R | 82.4 | Confident | 68 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.1 | 174.6 | -171.9 | 176.9 | -177.5 | -158.9 | -3.9 | 108.8 | V43 G44 D99 | V43-R109 CarbonylContact C-O 3.37Å; V43-R109 WeakPolarHBondContact CA-O 3.16Å; G44-R109 PolarHBondContact N-O 3.41Å; G44-R109 PolarHBondContact O-N 3.42Å; D99-R109 WeakPolarHBondContact OD2-CA 3.45Å |
| 110 | V | 83.4 | Confident | 66.9 | Low | 3 Ų | 3 | 93.1 Ų | 93.1 | 2% | 0.018 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.2 | 177.1 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | A41 Y42 V43 A95 D99 | A41-V110 HydrophobicContact CB-CG1 4.38Å; Y42-V110 CarbonylContact O-C 3.5Å; Y42-V110 WeakPolarHBondContact O-CA 3.4Å; V43-V110 HydrophobicContact CG1-CG2 4.24Å; V43-V110 HydrophobicContact CG2-CG1 4.25Å; V43-V110 HydrophobicContact CG2-CG2 4.35Å; A95-V110 HydrophobicContact CB-CG1 4.15Å; A95-V110 WeakPolarHBondContact O-CB 3.42Å; A95-V110 VanDerWaalsContact O-CG1 3.23Å; A95-V110 WeakPolarHBondContact O-CG1 3.27Å; D99-V110 HydrophobicContact CB-CB 4.13Å; D99-V110 WeakPolarHBondContact CB-O 3.35Å; D99-V110 PolarHBondContact OD2-N 3.27Å |
| 111 | D | 81.6 | Confident | 65.9 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 33% | 0.326 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.5 | -179.3 | -160.3 | -94.9 | 0 | 0 | 0 | 108.8 | A41 Y42 A113 | A41-D111 CarbonylContact C-O 3.56Å; A41-D111 WeakPolarHBondContact CA-O 3.28Å; Y42-D111 HydrophobicContact CD1-CB 4.07Å; Y42-D111 PolarHBondContact N-O 3.35Å; Y42-D111 PolarHBondContact O-N 3.06Å; D111-A113 PolarHBondContact O-N 3.34Å |
| 112 | I | 77.3 | Confident | 65.1 | Low | 9 Ų | 9 | 96 Ų | 96 | 5% | 0.046 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 117.5 | 174.7 | -64.4 | 160.3 | 0 | 0 | 0 | 108.2 | K31 L92 L96 | K31-I112 WeakPolarHBondContact O-CD1 3.13Å; L92-I112 HydrophobicContact CD1-CG1 4.03Å; L92-I112 HydrophobicContact CD1-CG2 4.42Å; L92-I112 HydrophobicContact CD2-CD1 4.46Å; L92-I112 HydrophobicContact CD2-CG1 4.17Å; L92-I112 HydrophobicContact CD2-CG2 4.06Å; L92-I112 HydrophobicContact CG-CG1 4.1Å; L96-I112 HydrophobicContact CD1-CD1 3.37Å; L96-I112 HydrophobicContact CD1-CG1 3.67Å; L96-I112 HydrophobicContact CD2-CD1 4.05Å; L96-I112 HydrophobicContact CD2-CG1 3.84Å; L96-I112 HydrophobicContact CG-CD1 4.13Å; L96-I112 HydrophobicContact CG-CG1 3.93Å |
| 113 | A | 73.6 | Confident | 64 | Low | 17 Ų | 17 | 93 Ų | 93 | 14% | 0.14 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | T40 Y83 D111 G115 | T40-A113 CarbonylContact C-O 3.5Å; T40-A113 VanDerWaalsContact CB-O 3.25Å; T40-A113 WeakPolarHBondContact CB-O 3.42Å; T40-A113 HydrophobicContact CG2-CB 3.88Å; T40-A113 CarbonylContact O-C 3.56Å; T40-A113 WeakPolarHBondContact O-CA 3.32Å; T40-A113 PolarHBondContact O-N 3.47Å; Y83-A113 HydrophobicContact CD1-CB 4.09Å; Y83-A113 HydrophobicContact CE1-CB 4.33Å; D111-A113 PolarHBondContact O-N 3.34Å; A113-G115 VanDerWaalsContact C-N 3.34Å; A113-G115 PolarHBondContact O-N 2.98Å |
| 114 | E | 64.6 | Low | 63.1 | Low | 137 Ų | 137 | 92.8 Ų | 92.8 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 106.1 | 159 | -94.9 | -127.8 | 102.4 | 0 | 0 | 107.3 | R116 | E114-R116 PolarHBondContact O-N 3.1Å |
| 115 | G | 53.3 | Low | 61.9 | Low | 20 Ų | 20 | 98.7 Ų | 98.7 | 21% | 0.206 | 51% | 0.508 | C | S | . | . | trans | -55.9 | 130.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | A113 R117 | A113-G115 VanDerWaalsContact C-N 3.34Å; A113-G115 PolarHBondContact O-N 2.98Å; G115-R117 PolarHBondContact O-N 3.14Å | ||
| 116 | R | 48.8 | Very low | 60.8 | Low | 238 Ų | 238 | 94.1 Ų | 94.1 | 90% | 0.898 | 50% | 0.502 | S | S | * | . | trans | -54.3 | 113.4 | 164.2 | -77.4 | -158.1 | -153.2 | 179 | 6.5 | 105.2 | E114 Q118 | E114-R116 PolarHBondContact O-N 3.1Å; R116-Q118 PolarHBondContact O-N 2.99Å | ||
| 117 | R | 48.8 | Very low | 59.5 | Low | 159 Ų | 159 | 98.8 Ų | 98.8 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | trans | -34.8 | 107.2 | 165 | -169.4 | -177.4 | -172 | -125.5 | 3.8 | 106 | G115 E119 | G115-R117 PolarHBondContact O-N 3.14Å; R117-E119 HydrophobicContact CB-CG 3.97Å; R117-E119 HydrophobicContact CG-CG 3.59Å; R117-E119 IonicContact CZ-OE1 3.89Å; R117-E119 IonicContact NH1-OE1 2.8Å; R117-E119 PolarHBondContact NH1-OE1 2.95Å; R117-E119 PolarHBondContact O-N 3.43Å | ||
| 118 | Q | 49.5 | Very low | 58 | Low | 174 Ų | 174 | 107 Ų | 107 | 81% | 0.813 | 55% | 0.546 | S | S | * | . | trans | -74.9 | 81.8 | 172.7 | -173.7 | 147.6 | 45.7 | 0 | 0 | 104.4 | R116 R120 | R116-Q118 PolarHBondContact O-N 2.99Å; Q118-R120 PolarHBondContact O-N 3.37Å | ||
| 119 | E | 45.4 | Very low | 56.2 | Low | 78 Ų | 78 | 115.1 Ų | 115.1 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | trans | -63.6 | 81.2 | 169 | -61 | 176.5 | 111.2 | 0 | 0 | 105.8 | R117 G121 S123 | R117-E119 HydrophobicContact CB-CG 3.97Å; R117-E119 HydrophobicContact CG-CG 3.59Å; R117-E119 IonicContact CZ-OE1 3.89Å; R117-E119 IonicContact NH1-OE1 2.8Å; R117-E119 PolarHBondContact NH1-OE1 2.95Å; R117-E119 PolarHBondContact O-N 3.43Å; E119-G121 PolarHBondContact O-N 3.36Å; E119-S123 VanDerWaalsContact CD-CB 3.45Å; E119-S123 PolarHBondContact OE1-OG 3.29Å; E119-S123 WeakPolarHBondContact OE2-CB 3.35Å; E119-S123 PolarHBondContact OE2-OG 3.41Å; E119-S123 VanDerWaalsContact OE2-OG 3.08Å | ||
| 120 | R | 51.3 | Low | 54.4 | Low | 245 Ų | 245 | 116.3 Ų | 116.3 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -65.9 | 77.1 | 157.8 | -165.1 | -168 | -67.9 | -168.5 | 0.1 | 105.3 | Q118 | Q118-R120 PolarHBondContact O-N 3.37Š|
| 121 | G | 48.6 | Very low | 52.8 | Low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 130.1 | 90.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | E119 | E119-G121 PolarHBondContact O-N 3.36Š|
| 122 | G | 52 | Low | 51.1 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | trans | 67.8 | 80.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 123 | S | 46.3 | Very low | 49.8 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 54% | 0.538 | 68% | 0.684 | S | S | . | * | trans | -128.4 | 96.5 | 154.6 | -89.6 | 0 | 0 | 0 | 0 | 109.3 | E119 | E119-S123 VanDerWaalsContact CD-CB 3.45Å; E119-S123 PolarHBondContact OE1-OG 3.29Å; E119-S123 WeakPolarHBondContact OE2-CB 3.35Å; E119-S123 PolarHBondContact OE2-OG 3.41Å; E119-S123 VanDerWaalsContact OE2-OG 3.08Å | ||
| 124 | G | 46.6 | Very low | 48.4 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | trans | -58.7 | 144.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G126 | G124-G126 PolarHBondContact O-N 3.17Š| ||
| 125 | F | 43.5 | Very low | 47.5 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -18.2 | 124.6 | 148 | -62.9 | -90 | 0 | 0 | 0 | 112.6 | F127 | F125-F127 WeakPolarHBondContact O-CD2 3.45Å; F125-F127 PolarHBondContact O-N 3.49Å |
| 126 | G | 46.6 | Very low | 47 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -49.2 | 106.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G124 | G124-G126 PolarHBondContact O-N 3.17Š| ||
| 127 | F | 44.5 | Very low | 46.8 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -92.5 | 93 | 148.6 | -62.1 | -79.7 | 0 | 0 | 0 | 105.9 | F125 K129 | F125-F127 WeakPolarHBondContact O-CD2 3.45Å; F125-F127 PolarHBondContact O-N 3.49Å; F127-K129 PolarHBondContact O-N 3.21Å | ||
| 128 | R | 47.6 | Very low | 46.6 | Very low | 235 Ų | 235 | 135.6 Ų | 135.6 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -52.8 | 114.1 | 161.1 | -83.9 | -79.7 | -179.2 | -179 | -1.7 | 106.2 | D130 | R128-D130 PolarHBondContact O-N 2.93Š| ||
| 129 | K | 45.3 | Very low | 46.1 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | -59.5 | 94.8 | 159.7 | -172.1 | 149.7 | 170.2 | 175.2 | 0 | 105.7 | F127 D131 | F127-K129 PolarHBondContact O-N 3.21Å; K129-D131 VanDerWaalsContact C-N 3.32Å; K129-D131 PolarHBondContact O-N 2.77Å; K129-D131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | D | 42.8 | Very low | 46 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -72.5 | 95.3 | 171 | -165.2 | -101.4 | 0 | 0 | 0 | 105.9 | R128 G132 | R128-D130 PolarHBondContact O-N 2.93Å; D130-G132 PolarHBondContact O-N 3.21Å; D130-G132 VanDerWaalsContact OD1-CA 3.27Å; D130-G132 WeakPolarHBondContact OD1-CA 3.4Å; D130-G132 PolarHBondContact OD1-N 3.23Å | ||
| 131 | D | 50.1 | Low | 45.3 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -67.2 | 68.5 | 156.6 | -85.4 | -86.6 | 0 | 0 | 0 | 108 | K129 | K129-D131 VanDerWaalsContact C-N 3.32Å; K129-D131 PolarHBondContact O-N 2.77Å; K129-D131 VanDerWaalsContact O-N 3.12Å | ||
| 132 | G | 46.1 | Very low | 44.8 | Very low | 43 Ų | 43 | 132.8 Ų | 132.8 | 44% | 0.443 | 79% | 0.785 | S | S | . | * | trans | -118.7 | 97.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | D130 G134 | D130-G132 PolarHBondContact O-N 3.21Å; D130-G132 VanDerWaalsContact OD1-CA 3.27Å; D130-G132 WeakPolarHBondContact OD1-CA 3.4Å; D130-G132 PolarHBondContact OD1-N 3.23Å; G132-G134 PolarHBondContact O-N 2.87Å | ||
| 133 | R | 50.5 | Low | 44.2 | Very low | 261 Ų | 261 | 140.6 Ų | 140.6 | 99% | 0.985 | 79% | 0.791 | S | S | * | * | trans | -51.4 | 107.3 | 157.8 | -78.8 | -159.7 | -177.6 | -167 | 4.6 | 108.5 | ||||
| 134 | G | 43.2 | Very low | 43.7 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 175.3 | 75.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G132 | G132-G134 PolarHBondContact O-N 2.87Š| ||
| 135 | R | 47.1 | Very low | 43.3 | Very low | 254 Ų | 254 | 141.8 Ų | 141.8 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | trans | 59.4 | 97.7 | 131.2 | -162 | -179.4 | -165.2 | -177 | 3.2 | 117.4 | ||||
| 136 | G | 43 | Very low | 42.9 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 88.4 | 116.1 | 130.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 137 | G | 44.3 | Very low | 42.5 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -171.6 | 37.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R139 | G137-R139 PolarHBondContact O-N 3.35Š| ||
| 138 | S | 44.1 | Very low | 42 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -67.1 | 127.5 | 165.1 | -76.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | R | 39.6 | Very low | 41.8 | Very low | 237 Ų | 237 | 130.9 Ų | 130.9 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | 75.4 | 119.4 | 155.8 | -54.8 | 168.5 | -170.6 | -175.6 | 2.1 | 113.3 | G137 | G137-R139 PolarHBondContact O-N 3.35Š| ||
| 140 | G | 41.9 | Very low | 41.3 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | 68 | 89.8 | 50.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 141 | G | 38.1 | Very low | 41.1 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 144.4 | 99.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 142 | S | 38.3 | Very low | 40.7 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | 92.4 | 111.2 | 84.4 | -79.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 143 | R | 39 | Very low | 40.1 | Very low | 242 Ų | 242 | 135.3 Ų | 135.3 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | 68.1 | 114.2 | 137.3 | -57.3 | -178.6 | -175 | -178.6 | 1 | 119 | ||||
| 144 | G | 35.1 | Very low | 39.6 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | 103.4 | 122.1 | 122.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 145 | G | 39.4 | Very low | 39.1 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | 85.1 | 129.3 | 123.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 146 | G | 34.7 | Very low | 38.7 | Very low | 86 Ų | 86 | 133 Ų | 133 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | 79.3 | 138.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 147 | G | 37 | Very low | 38.5 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | cis | 123.5 | 136.1 | 30.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 148 | G | 34.7 | Very low | 38.1 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 99.2 | 116.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 149 | R | 43.9 | Very low | 37.5 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | 49.1 | 137.4 | 52.3 | -64.8 | -164.8 | -170.6 | -177.6 | 4.4 | 112.9 | |||||
| 150 | D | 34.7 | Very low | 37.2 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 77.7 | 119.3 | 169.3 | -27.4 | -55.6 | 0 | 0 | 0 | 112.6 | ||||
| 151 | S | 37.4 | Very low | 36.7 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | -159.2 | 108 | 58.6 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 152 | R | 42.6 | Very low | 36.4 | Very low | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -15 | 133.4 | 95.7 | -148.6 | 95.2 | -178.7 | -173.7 | 3 | 114.3 | |||||
| 153 | D | 34.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 81% | 0.809 | S | S | * | * | trans | 88.4 | 93.7 | 172.7 | -56.2 | -77.6 | 0 | 0 | 0 | 115.8 | ||||
| 154 | D | 39.2 | Very low | 35.8 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | -151.6 | 132.1 | 118.9 | -129.7 | -67.8 | 0 | 0 | 0 | 110.6 | |||||
| 155 | F | 33.5 | Very low | 35.6 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -139.1 | 106.7 | -148.7 | -160.6 | -80.6 | 0 | 0 | 0 | 105.6 | ||||
| 156 | Y | 37.8 | Very low | 35.3 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | 167.8 | 127.7 | 156.9 | -119.3 | -108.4 | 0 | 0 | 0 | 107.2 | ||||
| 157 | D | 38.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | -172.1 | 105.9 | 58.3 | -171.2 | -107.8 | 0 | 0 | 0 | 106.1 | |||||
| 158 | Q | 36.8 | Very low | 35.3 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | 52.2 | 77.7 | 91.4 | -168.1 | 130.7 | 92.5 | 0 | 0 | 116.7 | |||||
| 159 | Q | 31.5 | Very low | 35.7 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | 171.9 | 132.5 | 124.9 | -102.3 | 178.3 | 42.5 | 0 | 0 | 112.5 | |||||
| 160 | G | 32.1 | Very low | 35.3 | Very low | 82 Ų | 82 | 156.1 Ų | 156.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 113 | 85.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 161 | G | 32.5 | Very low | 35.3 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | 83.7 | 111.7 | 127.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 162 | G | 31.4 | Very low | 35.1 | Very low | 57 Ų | 57 | 158.9 Ų | 158.9 | 59% | 0.588 | 82% | 0.821 | S | S | * | * | 114.4 | 119.7 | 123.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 163 | F | 27.4 | Very low | 35 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | 81.8 | 100.5 | 148.9 | -45 | -77.4 | 0 | 0 | 0 | 117.6 | ||||
| 164 | R | 37.6 | Very low | 35.1 | Very low | 239 Ų | 239 | 159.6 Ų | 159.6 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | 179.9 | 116.8 | 86.8 | -87.3 | -179.1 | -167.4 | -173.6 | 2.8 | 110.8 | E166 | R164-E166 PolarHBondContact O-N 2.96Š| |||
| 165 | D | 31.5 | Very low | 34.8 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -40.4 | 117.8 | 161.5 | -68.4 | -118.9 | 0 | 0 | 0 | 112.6 | ||||
| 166 | E | 32.9 | Very low | 34.9 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | 37.2 | 89.1 | 95.6 | -140 | 142.6 | 106.2 | 0 | 0 | 116.2 | R164 | R164-E166 PolarHBondContact O-N 2.96Š| |||
| 167 | D | 33 | Very low | 35.4 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | -173.3 | 75.8 | 156.1 | -89.2 | -42.1 | 0 | 0 | 0 | 111.5 | ||||
| 168 | Y | 38.5 | Very low | 35.3 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | trans | -168.9 | 43.7 | 147.1 | -141.9 | -104.9 | 0 | 0 | 0 | 115.8 | ||||
| 169 | M | 42.7 | Very low | 35.9 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 97% | 0.97 | 86% | 0.855 | S | S | * | * | trans | -121.3 | 98.7 | 165.3 | -80.5 | -70.5 | -176.6 | 0 | 0 | 109.2 | ||||
| 170 | G | 34.5 | Very low | 36.3 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -180 | 43.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 171 | G | 36.5 | Very low | 37 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | 87.1 | 151.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 172 | R | 32 | Very low | 37.5 | Very low | 242 Ų | 242 | 151.3 Ų | 151.3 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | 90.9 | 94 | 157.6 | -60.6 | -177.9 | -174.1 | -163.4 | 1.6 | 118.9 | ||||
| 173 | S | 40.7 | Very low | 37.8 | Very low | 114 Ų | 114 | 159.6 Ų | 159.6 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | 55.2 | 105.5 | 127.1 | -54.1 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 174 | R | 36.3 | Very low | 38.8 | Very low | 255 Ų | 255 | 155.9 Ų | 155.9 | 96% | 0.962 | 85% | 0.849 | S | S | * | * | -174.3 | 114.8 | 123 | -101.7 | -178.7 | -161.2 | -154.6 | 7.4 | 111.7 | |||||
| 175 | G | 32.8 | Very low | 39.2 | Very low | 86 Ų | 86 | 156.8 Ų | 156.8 | 89% | 0.887 | 85% | 0.853 | S | S | * | * | trans | 93 | 118.7 | 140 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 176 | G | 36.8 | Very low | 39.3 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | 116.4 | 53.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | S178 | G176-S178 PolarHBondContact O-N 2.73Š| ||
| 177 | S | 47.4 | Very low | 39.7 | Very low | 125 Ų | 125 | 149 Ų | 149 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | trans | -67 | 109.9 | 161.1 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 178 | S | 35.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | -157 | 85.3 | 161.2 | -75.7 | 0 | 0 | 0 | 0 | 111 | G176 | G176-S178 PolarHBondContact O-N 2.73Š| ||
| 179 | R | 49.7 | Very low | 40.1 | Very low | 252 Ų | 252 | 138.4 Ų | 138.4 | 95% | 0.951 | 85% | 0.854 | S | S | * | * | trans | -88.3 | 126.6 | 143.2 | -71.1 | 179 | 172.5 | 173.6 | -2.4 | 106.5 | ||||
| 180 | P | 40.9 | Very low | 39.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | trans | -127.7 | 86.7 | 159.5 | 34.3 | -18.2 | 0 | 0 | 0 | 109.1 | ||||
| 181 | G | 45.9 | Very low | 40.3 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 85% | 0.846 | S | S | * | * | trans | -130.5 | 71.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 182 | D | 42.4 | Very low | 40.7 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | -174.7 | 134.8 | 161.8 | -108.6 | -59.4 | 0 | 0 | 0 | 113 | ||||
| 183 | R | 39.5 | Very low | 41.2 | Very low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.875 | 84% | 0.839 | S | S | * | * | trans | 91.3 | 159.4 | 165.3 | -54.1 | -176.5 | -176.7 | 170.2 | 1 | 119 | ||||
| 184 | P | 46.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | -136.7 | 174.2 | -53.7 | 38.6 | -22 | 0 | 0 | 0 | 112.4 | |||||
| 185 | R | 46 | Very low | 41.8 | Very low | 259 Ų | 259 | 138.7 Ų | 138.7 | 98% | 0.977 | 84% | 0.836 | S | S | * | * | trans | -38.1 | 123.7 | 167.5 | -171.8 | 176 | -170.2 | 167.8 | 1.1 | 114.8 | ||||
| 186 | G | 34 | Very low | 42.6 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -172.9 | 117 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 187 | G | 42 | Very low | 43.1 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | trans | -78 | 165.8 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 188 | G | 35 | Very low | 43.6 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 174.1 | 123.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 189 | G | 45.1 | Very low | 44.2 | Very low | 88 Ų | 88 | 142 Ų | 142 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -59.6 | 155.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 190 | G | 37.4 | Very low | 44.4 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -175.7 | 81.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G192 | G190-G192 PolarHBondContact O-N 2.92Š| ||
| 191 | M | 43.3 | Very low | 44.7 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -44.4 | 137 | 169.6 | -91 | 77 | 168.9 | 0 | 0 | 110.9 | R193 | M191-R193 PolarHBondContact O-N 3.08Š| ||
| 192 | G | 45.4 | Very low | 44.3 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | -48.4 | 121.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G190 F194 | G190-G192 PolarHBondContact O-N 2.92Å; G192-F194 PolarHBondContact O-N 2.84Å | ||
| 193 | R | 43.5 | Very low | 44.4 | Very low | 231 Ų | 231 | 139.3 Ų | 139.3 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -74.3 | 76.6 | 165.8 | -69.6 | -114.2 | -134.2 | -143.6 | 0.8 | 108.9 | M191 R195 | M191-R193 PolarHBondContact O-N 3.08Å; R193-R195 PolarHBondContact O-N 3.49Å | ||
| 194 | F | 43.3 | Very low | 45.1 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -66.2 | 90.9 | 148.6 | -71.9 | -89 | 0 | 0 | 0 | 106 | G192 D196 | G192-F194 PolarHBondContact O-N 2.84Å; F194-D196 PolarHBondContact O-N 2.83Å | ||
| 195 | R | 44.7 | Very low | 45.5 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | trans | -76.9 | 118.4 | 176.2 | -165.6 | 162.8 | -151.6 | 170.8 | 4.3 | 107.8 | R193 G197 | R193-R195 PolarHBondContact O-N 3.49Å; R195-G197 PolarHBondContact O-N 2.85Å | ||
| 196 | D | 50.8 | Low | 46.1 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -20.5 | 102.8 | 176.8 | -65.8 | -104.3 | 0 | 0 | 0 | 115.5 | F194 | F194-D196 PolarHBondContact O-N 2.83Š| ||
| 197 | G | 46.8 | Very low | 47.8 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 141.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R195 | R195-G197 PolarHBondContact O-N 2.85Š|
| 198 | P | 57.1 | Low | 48.8 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.8 | -179.9 | 27.2 | -32.6 | 0 | 0 | 0 | 110.4 | R200 | P198-R200 PolarHBondContact O-N 3.38Š|
| 199 | P | 50.3 | Low | 50 | Low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.5 | -176.9 | 26 | -32.4 | 0 | 0 | 0 | 110.3 | G201 | P199-G201 PolarHBondContact O-N 2.69Š|
| 200 | R | 53.2 | Low | 51.2 | Low | 257 Ų | 257 | 140 Ų | 140 | 97% | 0.97 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 119.6 | 164 | -82.9 | -173.7 | 168.1 | 175.8 | -2.7 | 108.8 | P198 | P198-R200 PolarHBondContact O-N 3.38Š|
| 201 | G | 46.3 | Very low | 52.4 | Low | 84 Ų | 84 | 144.8 Ų | 144.8 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 142.2 | 86 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P199 | P199-G201 PolarHBondContact O-N 2.69Š| ||
| 202 | G | 37.6 | Very low | 53.3 | Low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -151.9 | 117.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 203 | T | 45.8 | Very low | 54 | Low | 126 Ų | 126 | 145.9 Ų | 145.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -46.5 | 146.4 | 176.9 | 34.1 | 0 | 0 | 0 | 0 | 112.6 | D205 | T203-D205 PolarHBondContact O-N 3.49Š| ||
| 204 | T | 53.9 | Low | 54.7 | Low | 136 Ų | 136 | 143.6 Ų | 143.6 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -47.2 | 97.7 | 171.3 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | F206 | T204-F206 PolarHBondContact O-N 2.81Å; T204-F206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | D | 53.8 | Low | 55.6 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | -82.3 | 75 | 159.3 | -104.3 | -84.8 | 0 | 0 | 0 | 108.3 | T203 R207 | T203-D205 PolarHBondContact O-N 3.49Å; D205-R207 VanDerWaalsContact C-N 3.27Å; D205-R207 PolarHBondContact O-N 3.29Å | ||
| 206 | F | 59.1 | Low | 56.6 | Low | 160 Ų | 160 | 135.5 Ų | 135.5 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | -64.9 | 96.7 | 156.3 | 176.7 | -98.6 | 0 | 0 | 0 | 106.5 | T204 E208 | T204-F206 PolarHBondContact O-N 2.81Å; T204-F206 VanDerWaalsContact O-N 3.1Å; F206-E208 HydrophobicContact CD1-CG 4.05Å; F206-E208 HydrophobicContact CE1-CG 3.88Å; F206-E208 PolarHBondContact O-N 3.43Å; F206-E208 VanDerWaalsContact O-N 3.07Å | ||
| 207 | R | 69 | Low | 57.1 | Low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -67.3 | 106.3 | 172 | -174.7 | 173.4 | -177.7 | 172.7 | -0 | 107.9 | D205 P209 | D205-R207 VanDerWaalsContact C-N 3.27Å; D205-R207 PolarHBondContact O-N 3.29Å; R207-P209 WeakPolarHBondContact O-CD 3.29Å | ||
| 208 | E | 63.8 | Low | 58.2 | Low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.8 | 173.2 | -81.2 | -174.2 | 89.4 | 0 | 0 | 109.4 | F206 S210 | F206-E208 HydrophobicContact CD1-CG 4.05Å; F206-E208 HydrophobicContact CE1-CG 3.88Å; F206-E208 PolarHBondContact O-N 3.43Å; F206-E208 VanDerWaalsContact O-N 3.07Å; E208-S210 PolarHBondContact O-N 2.69Å |
| 209 | P | 60.9 | Low | 58.8 | Low | 63 Ų | 63 | 145.4 Ų | 145.4 | 41% | 0.409 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 130.8 | 176.1 | 25.6 | -31.5 | 0 | 0 | 0 | 109.1 | R207 | R207-P209 WeakPolarHBondContact O-CD 3.29Š|
| 210 | S | 70.1 | Confident | 59.6 | Low | 60 Ų | 60 | 146.3 Ų | 146.3 | 42% | 0.42 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 155.2 | -178.7 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | E208 E212 E213 | E208-S210 PolarHBondContact O-N 2.69Å; S210-E212 PolarHBondContact O-N 2.82Å; S210-E213 PolarHBondContact O-N 3.22Å |
| 211 | E | 62.1 | Low | 60.1 | Low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -58 | -23.8 | -174.8 | -157.3 | 162 | 99.8 | 0 | 0 | 113.1 | R214 A215 | E211-R214 PolarHBondContact O-N 2.76Å; E211-A215 PolarHBondContact O-N 3.45Å |
| 212 | E | 61 | Low | 61 | Low | 151 Ų | 151 | 145 Ų | 145 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -71.8 | -36.4 | 178.1 | -61.7 | 174.5 | 101.3 | 0 | 0 | 113 | S210 R214 A215 Q216 | S210-E212 PolarHBondContact O-N 2.82Å; E212-R214 VanDerWaalsContact C-N 3.33Å; E212-A215 PolarHBondContact O-N 2.81Å; E212-Q216 PolarHBondContact O-N 3.02Å |
| 213 | E | 60.1 | Low | 62.8 | Low | 121 Ų | 121 | 150.3 Ų | 150.3 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -73.7 | -26.2 | 175.9 | -84.2 | -175.6 | 76.1 | 0 | 0 | 112.3 | S210 | S210-E213 PolarHBondContact O-N 3.22Å |
| 214 | R | 59.6 | Low | 63.8 | Low | 182 Ų | 182 | 149.5 Ų | 149.5 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -70.4 | -32.9 | 173 | -77.9 | 178.2 | 150.2 | -167 | -2.4 | 112.1 | E211 E212 | E211-R214 PolarHBondContact O-N 2.76Å; E212-R214 VanDerWaalsContact C-N 3.33Å |
| 215 | A | 62.6 | Low | 63.9 | Low | 83 Ų | 83 | 154 Ų | 154 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -76 | -22.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E211 E212 R217 | E211-A215 PolarHBondContact O-N 3.45Å; E212-A215 PolarHBondContact O-N 2.81Å; A215-R217 VanDerWaalsContact C-N 3.34Å |
| 216 | Q | 64 | Low | 63.9 | Low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -3.6 | 178.3 | -68.6 | -179 | 9.4 | 0 | 0 | 114 | E212 | E212-Q216 PolarHBondContact O-N 3.02Š|
| 217 | R | 62.4 | Low | 64 | Low | 189 Ų | 189 | 150.5 Ų | 150.5 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -74.9 | 129 | 173.1 | -68.7 | -175 | 173.1 | -157.7 | -2.9 | 110.1 | A215 R219 | A215-R217 VanDerWaalsContact C-N 3.34Å; R217-R219 PolarHBondContact O-N 2.94Å |
| 218 | P | 69.7 | Low | 63.5 | Low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -59.8 | 116.1 | 177.1 | 24.2 | -32.5 | 0 | 0 | 0 | 109.6 | L220 | P218-L220 PolarHBondContact O-N 2.91Å; P218-L220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | R | 69.7 | Low | 63.5 | Low | 235 Ų | 235 | 144.6 Ų | 144.6 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -69.2 | 110.9 | -179.9 | -67.3 | 179.9 | 90.7 | 121.1 | -2.2 | 109.1 | R217 Q221 | R217-R219 PolarHBondContact O-N 2.94Å; R219-Q221 PolarHBondContact O-N 3.48Å; R219-Q221 VanDerWaalsContact O-N 3.15Å | ||
| 220 | L | 67.2 | Low | 63.3 | Low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -64.8 | 110.9 | 171.7 | -173 | 69.7 | 0 | 0 | 0 | 108.9 | P218 L222 | P218-L220 PolarHBondContact O-N 2.91Å; P218-L220 VanDerWaalsContact O-N 3.14Å; L220-L222 HydrophobicContact CD2-CD1 4Å; L220-L222 HydrophobicContact CG-CD1 4.18Å; L220-L222 PolarHBondContact O-N 2.77Å; L220-L222 VanDerWaalsContact O-N 3.12Å | ||
| 221 | Q | 64.1 | Low | 62.6 | Low | 183 Ų | 183 | 152 Ų | 152 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -77.3 | 95.9 | 174.3 | -65 | -170.7 | 3.9 | 0 | 0 | 109.2 | R219 K223 | R219-Q221 PolarHBondContact O-N 3.48Å; R219-Q221 VanDerWaalsContact O-N 3.15Å; Q221-K223 PolarHBondContact O-N 3.47Å | ||
| 222 | L | 64.9 | Low | 62.5 | Low | 131 Ų | 131 | 150.9 Ų | 150.9 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 121.1 | 168.8 | -79.7 | 91.6 | 0 | 0 | 0 | 108.9 | L220 | L220-L222 HydrophobicContact CD2-CD1 4Å; L220-L222 HydrophobicContact CG-CD1 4.18Å; L220-L222 PolarHBondContact O-N 2.77Å; L220-L222 VanDerWaalsContact O-N 3.12Å |
| 223 | K | 74.8 | Confident | 62.3 | Low | 187 Ų | 187 | 152.2 Ų | 152.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139.4 | 164.4 | -64.6 | 178.8 | -180 | 178.5 | 0 | 108.3 | Q221 R225 | Q221-K223 PolarHBondContact O-N 3.47Å; K223-R225 PolarHBondContact O-N 2.77Å; K223-R225 VanDerWaalsContact O-N 3.14Å |
| 224 | P | 67.4 | Low | 62.2 | Low | 108 Ų | 108 | 153.2 Ų | 153.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 124.2 | -179.8 | 25.2 | -33.5 | 0 | 0 | 0 | 108.9 | T226 | P224-T226 HydrophobicContact CB-CG2 4.25Å; P224-T226 PolarHBondContact O-N 2.94Å |
| 225 | R | 56.5 | Low | 61.9 | Low | 231 Ų | 231 | 148.8 Ų | 148.8 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -71.9 | 80.7 | 166.4 | -73.7 | -171.9 | 175.6 | 173.7 | -1.1 | 107.6 | K223 V227 | K223-R225 PolarHBondContact O-N 2.77Å; K223-R225 VanDerWaalsContact O-N 3.14Å; R225-V227 VanDerWaalsContact C-N 3.3Å; R225-V227 PolarHBondContact O-N 2.95Å; R225-V227 VanDerWaalsContact O-N 3.13Å | ||
| 226 | T | 53.5 | Low | 61.6 | Low | 117 Ų | 117 | 150.5 Ų | 150.5 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -78.4 | 86.3 | 165.9 | 54 | 0 | 0 | 0 | 0 | 107.5 | P224 S228 | P224-T226 HydrophobicContact CB-CG2 4.25Å; P224-T226 PolarHBondContact O-N 2.94Å; T226-S228 PolarHBondContact O-N 2.66Å | ||
| 227 | V | 59.8 | Low | 61.5 | Low | 121 Ų | 121 | 148.4 Ų | 148.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -82.1 | 107.4 | 157.3 | -179.4 | 0 | 0 | 0 | 0 | 105.2 | R225 E229 | R225-V227 VanDerWaalsContact C-N 3.3Å; R225-V227 PolarHBondContact O-N 2.95Å; R225-V227 VanDerWaalsContact O-N 3.13Å; V227-E229 PolarHBondContact O-N 3.49Å | ||
| 228 | S | 59.4 | Low | 61.3 | Low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 3.1 | -174.9 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | T226 | T226-S228 PolarHBondContact O-N 2.66Š| ||
| 229 | E | 63.8 | Low | 60.8 | Low | 154 Ų | 154 | 144.5 Ų | 144.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -124 | 127.7 | -175.9 | -80.2 | 167.2 | 90.3 | 0 | 0 | 112.2 | V227 L231 | V227-E229 PolarHBondContact O-N 3.49Å; E229-L231 PolarHBondContact O-N 3.03Å |
| 230 | P | 55.6 | Low | 60.4 | Low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 129.8 | 177.4 | 27.8 | -32.4 | 0 | 0 | 0 | 110.7 | N232 | P230-N232 PolarHBondContact O-N 3.24Š| ||
| 231 | L | 56.6 | Low | 60.2 | Low | 170 Ų | 170 | 137.7 Ų | 137.7 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -67.2 | 44.3 | -174.4 | -160.4 | 98.3 | 0 | 0 | 0 | 114.7 | E229 | E229-L231 PolarHBondContact O-N 3.03Š|
| 232 | N | 59.7 | Low | 59.9 | Low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -142.5 | 23.9 | -174.4 | -125.4 | 15.2 | 0 | 0 | 0 | 116.4 | P230 | P230-N232 PolarHBondContact O-N 3.24Š| ||
| 233 | Q | 56.6 | Low | 59.3 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -116.4 | 9.3 | 177.7 | -82 | -174 | 18.8 | 0 | 0 | 116.1 | ||
| 234 | V | 57.3 | Low | 58.7 | Low | 142 Ų | 142 | 130 Ų | 130 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -106.5 | 19.8 | 175.2 | -86.9 | 0 | 0 | 0 | 0 | 114.3 | N236 | V234-N236 PolarHBondContact O-N 3.38Š| ||
| 235 | A | 54.8 | Low | 58.2 | Low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -86.3 | 88.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P237 | A235-P237 WeakPolarHBondContact O-CD 3.35Š| ||
| 236 | N | 56.8 | Low | 58.8 | Low | 119 Ų | 119 | 128 Ų | 128 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -73.6 | 109.5 | 164 | -101.3 | -57 | 0 | 0 | 0 | 107.9 | V234 N238 | V234-N236 PolarHBondContact O-N 3.38Å; N236-N238 PolarHBondContact O-N 2.75Å; N236-N238 VanDerWaalsContact O-N 3.13Å | ||
| 237 | P | 61.4 | Low | 59.4 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -1 | 179.7 | 31.7 | -36.2 | 0 | 0 | 0 | 113.3 | A235 | A235-P237 WeakPolarHBondContact O-CD 3.35Š|
| 238 | N | 58.6 | Low | 59.8 | Low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 4.5 | -177 | -83.9 | -46.9 | 0 | 0 | 0 | 114.9 | N236 A240 | N236-N238 PolarHBondContact O-N 2.75Å; N236-N238 VanDerWaalsContact O-N 3.13Å; N238-A240 PolarHBondContact O-N 2.95Å |
| 239 | S | 58.5 | Low | 60 | Low | 83 Ų | 83 | 137.1 Ų | 137.1 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | trans | -86.2 | 93.9 | 170.7 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | I241 | S239-I241 PolarHBondContact O-N 2.85Å; S239-I241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | A | 61.2 | Low | 60 | Low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -57.4 | 112.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | N238 F242 | N238-A240 PolarHBondContact O-N 2.95Å; A240-F242 PolarHBondContact O-N 2.72Å | ||
| 241 | I | 63.3 | Low | 59.8 | Low | 147 Ų | 147 | 145.8 Ų | 145.8 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -72.9 | -16.2 | -179.3 | -66 | -69.7 | 0 | 0 | 0 | 112.1 | S239 | S239-I241 PolarHBondContact O-N 2.85Å; S239-I241 VanDerWaalsContact O-N 3.09Å |
| 242 | F | 58.3 | Low | 60 | Low | 178 Ų | 178 | 144.6 Ų | 144.6 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -120.1 | 124.7 | 175.9 | -67.7 | -87.3 | 0 | 0 | 0 | 109.4 | A240 | A240-F242 PolarHBondContact O-N 2.72Š|
| 243 | G | 52.3 | Low | 60 | Low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -55.8 | 143.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A245 | G243-A245 PolarHBondContact O-N 3.1Š| ||
| 244 | G | 61.7 | Low | 60.2 | Low | 89 Ų | 89 | 142.4 Ų | 142.4 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | trans | -62.4 | 92.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 245 | A | 57.4 | Low | 60.4 | Low | 95 Ų | 95 | 142.5 Ų | 142.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 119.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G243 | G243-A245 PolarHBondContact O-N 3.1Š|
| 246 | K | 67.3 | Low | 60.7 | Low | 201 Ų | 201 | 145.9 Ų | 145.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.4 | 171 | -63.1 | -179.7 | -179.1 | -178.8 | 0 | 109 | ||
| 247 | P | 67.9 | Low | 61 | Low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 137.8 | 172.1 | 26.4 | -31.6 | 0 | 0 | 0 | 110.1 | E249 | P247-E249 PolarHBondContact O-N 2.89Š|
| 248 | R | 67.4 | Low | 61 | Low | 230 Ų | 230 | 149.4 Ų | 149.4 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -77.3 | 115.6 | 175.5 | -171.9 | -176.1 | -171.9 | -170.4 | 1.3 | 108 | E250 | R248-E250 PolarHBondContact O-N 3.35Š| ||
| 249 | E | 63.8 | Low | 61.1 | Low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -68.8 | 117 | 167.7 | -74.1 | 172.7 | 93.3 | 0 | 0 | 108.4 | P247 | P247-E249 PolarHBondContact O-N 2.89Š| ||
| 250 | E | 64.1 | Low | 61.4 | Low | 189 Ų | 189 | 154.8 Ų | 154.8 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -80.7 | 131.9 | 164.4 | -76.6 | -175.7 | 82.5 | 0 | 0 | 108.2 | R248 | R248-E250 PolarHBondContact O-N 3.35Š| ||
| 251 | H | 51.7 | Low | 61.4 | Low | 255 Ų | 255 | 160.5 Ų | 160.5 | 100% | 1.181 | 86% | 0.86 | S | S | * | * | trans | -128.1 | 0 | 176.7 | -143.8 | -48.1 | 0 | 0 | 0 | 109.5 |
Retrieved 251 of 251 residues in 46.7 ms
(Link to these results)