| 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 | 49.7 | Very low | 69.5 | Low | 228 Ų | 228 | 118.5 Ų | 118.5 | 100% | 1.123 | 70% | 0.697 | S | S | * | * | 0 | 120.7 | 0 | -66.2 | -176.5 | -161.6 | 0 | 0 | 107.4 | |||||
| 2 | S | 56.5 | Low | 70.8 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | -79.6 | 120.9 | 173.4 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | I4 | S2-I4 PolarHBondContact O-N 3.26Š| ||
| 3 | Y | 64.6 | Low | 72.3 | Confident | 171 Ų | 171 | 108.9 Ų | 108.9 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | trans | -63.9 | 125.5 | 173.5 | 170.5 | -101.1 | 0 | 0 | 0 | 109.6 | P5 V9 | Y3-P5 HydrophobicContact CD1-CG 4.27Å; Y3-P5 HydrophobicContact CE1-CB 4.23Å; Y3-P5 HydrophobicContact CE1-CG 3.94Å; Y3-V9 HydrophobicContact CE2-CG2 4.31Å | ||
| 4 | I | 77 | Confident | 73.7 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | trans | -102.6 | 113.3 | 173.1 | -57.3 | -179.2 | 0 | 0 | 0 | 107.4 | S2 G6 Q7 | S2-I4 PolarHBondContact O-N 3.26Å; I4-G6 PolarHBondContact O-N 2.81Å; I4-Q7 HydrophobicContact CB-CB 4.28Å; I4-Q7 PolarHBondContact O-N 2.72Å; I4-Q7 VanDerWaalsContact O-N 3.17Å | ||
| 5 | P | 76.7 | Confident | 75.1 | Confident | 102 Ų | 102 | 110.9 Ų | 110.9 | 66% | 0.662 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | 134.2 | 176.8 | -25.3 | 33.6 | 0 | 0 | 0 | 111.8 | Y3 Q7 | Y3-P5 HydrophobicContact CD1-CG 4.27Å; Y3-P5 HydrophobicContact CE1-CB 4.23Å; Y3-P5 HydrophobicContact CE1-CG 3.94Å; P5-Q7 VanDerWaalsContact C-N 3.31Å; P5-Q7 PolarHBondContact O-N 3.09Å |
| 6 | G | 78.5 | Confident | 76.3 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 84% | 0.835 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.6 | -11.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I4 | I4-G6 PolarHBondContact O-N 2.81Š|
| 7 | Q | 72.7 | Confident | 77.5 | Confident | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -80.6 | 129.4 | 173.5 | -158.7 | 171.2 | 0.3 | 0 | 0 | 110 | I4 P5 V9 | I4-Q7 HydrophobicContact CB-CB 4.28Å; I4-Q7 PolarHBondContact O-N 2.72Å; I4-Q7 VanDerWaalsContact O-N 3.17Å; P5-Q7 VanDerWaalsContact C-N 3.31Å; P5-Q7 PolarHBondContact O-N 3.09Å; Q7-V9 PolarHBondContact O-N 3.02Å |
| 8 | P | 68.8 | Low | 78.6 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 71% | 0.708 | 57% | 0.567 | S | S | * | * | trans | -62.1 | 123.1 | -179.1 | 21.2 | -30.4 | 0 | 0 | 0 | 110.8 | T10 | P8-T10 PolarHBondContact O-N 2.76Š| ||
| 9 | V | 67.4 | Low | 79.6 | Confident | 121 Ų | 121 | 103.6 Ų | 103.6 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -77.8 | 114.1 | 172.7 | -178 | 0 | 0 | 0 | 0 | 107.6 | Y3 Q7 | Y3-V9 HydrophobicContact CE2-CG2 4.31Å; Q7-V9 PolarHBondContact O-N 3.02Å | ||
| 10 | T | 73.1 | Confident | 80.5 | Confident | 119 Ų | 119 | 99.4 Ų | 99.4 | 73% | 0.73 | 55% | 0.546 | S | S | * | . | trans | -98.8 | 115.8 | 175.9 | -41.9 | 0 | 0 | 0 | 0 | 108.2 | P8 | P8-T10 PolarHBondContact O-N 2.76Š| ||
| 11 | A | 79.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 100.2 Ų | 100.2 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | trans | -113.3 | 140.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V13 T84 | A11-V13 PolarHBondContact O-N 2.71Å; A11-T84 HydrophobicContact CB-CG2 4.02Å | ||
| 12 | V | 85.4 | Confident | 83.5 | Confident | 40 Ų | 40 | 96.4 Ų | 96.4 | 24% | 0.242 | 52% | 0.522 | C | S | . | . | trans | -82 | 117.3 | 171 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | L88 V92 | V12-L88 HydrophobicContact CB-CB 4.4Å; V12-L88 HydrophobicContact CG1-CB 3.86Å; V12-V92 HydrophobicContact CB-CG2 4.41Å; V12-V92 HydrophobicContact CG1-CG2 3.81Å; V12-V92 HydrophobicContact CG2-CB 3.85Å; V12-V92 HydrophobicContact CG2-CG1 4.14Å; V12-V92 HydrophobicContact CG2-CG2 3.74Å | ||
| 13 | V | 89.3 | Confident | 85.3 | Confident | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139.6 | 179.9 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | A11 L82 V83 | A11-V13 PolarHBondContact O-N 2.71Å; V13-L82 HydrophobicContact CB-CD2 4.06Å; V13-L82 HydrophobicContact CG2-CD2 3.82Å; V13-V83 CarbonylContact C-O 3.47Å; V13-V83 WeakPolarHBondContact CA-O 3.45Å |
| 14 | Q | 92.1 | Very high | 86.8 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 33% | 0.332 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.1 | 168.4 | -170.9 | 173.9 | 14.3 | 0 | 0 | 109.3 | V16 L82 V83 L88 | Q14-V16 HydrophobicContact CG-CG2 3.93Å; Q14-L82 WeakPolarHBondContact O-CA 3.42Å; Q14-V83 HydrophobicContact CB-CG2 3.88Å; Q14-V83 PolarHBondContact N-O 3.11Å; Q14-V83 PolarHBondContact O-N 3.19Å; Q14-L88 HydrophobicContact CB-CD1 3.57Å; Q14-L88 HydrophobicContact CG-CD1 4.29Å |
| 15 | R | 94.5 | Very high | 87.5 | Confident | 177 Ų | 177 | 95.3 Ų | 95.3 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.9 | 166.9 | -170.6 | 174.9 | 176.7 | 171.5 | -3.3 | 108.8 | L81 L82 | R15-L81 CarbonylContact C-O 3.55Å; R15-L81 WeakPolarHBondContact CA-O 3.42Å; R15-L82 HydrophobicContact CB-CD2 4.33Å |
| 16 | V | 94.9 | Very high | 88.3 | Confident | 42 Ų | 42 | 94.4 Ų | 94.4 | 26% | 0.255 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.6 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | Q14 I18 R80 L81 V83 | Q14-V16 HydrophobicContact CG-CG2 3.93Å; V16-I18 HydrophobicContact CG1-CD1 4.31Å; V16-I18 HydrophobicContact CG1-CG1 3.95Å; V16-R80 CarbonylContact O-C 3.59Å; V16-R80 WeakPolarHBondContact O-CA 3.4Å; V16-L81 HydrophobicContact CB-CB 4.34Å; V16-L81 PolarHBondContact N-O 3.03Å; V16-L81 PolarHBondContact O-N 3.03Å; V16-V83 HydrophobicContact CG2-CG2 4.05Å |
| 17 | E | 97.4 | Very high | 89.1 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124 | 175.7 | -174.8 | 157.8 | 153.9 | 0 | 0 | 109.4 | H19 V78 R80 | E17-H19 IonicContact OE1-NE2 3.92Å; E17-V78 HydrophobicContact CG-CG1 3.57Å; E17-R80 HydrophobicContact CB-CG 4.45Å; E17-R80 VanDerWaalsContact CD-NH2 3.32Å; E17-R80 HydrophobicContact CG-CG 4.1Å; E17-R80 IonicContact OE1-CZ 3.59Å; E17-R80 IonicContact OE1-NE 3.71Å; E17-R80 IonicContact OE1-NH2 2.81Å; E17-R80 PolarHBondContact OE1-NH2 3.3Å; E17-R80 IonicContact OE2-CZ 3.39Å; E17-R80 IonicContact OE2-NE 2.72Å; E17-R80 PolarHBondContact OE2-NE 3.35Å; E17-R80 IonicContact OE2-NH2 3.26Å; E17-R80 PolarHBondContact OE2-NH2 3Å |
| 18 | I | 96.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 88.6 Ų | 88.6 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.9 | -175.7 | -54.9 | 175.4 | 0 | 0 | 0 | 108.3 | V16 L29 F31 V78 V79 L81 | V16-I18 HydrophobicContact CG1-CD1 4.31Å; V16-I18 HydrophobicContact CG1-CG1 3.95Å; I18-L29 HydrophobicContact CB-CD2 4.33Å; I18-L29 HydrophobicContact CG2-CD2 3.88Å; I18-F31 HydrophobicContact CD1-CD1 4.02Å; I18-F31 HydrophobicContact CD1-CE1 3.51Å; I18-F31 HydrophobicContact CD1-CZ 4.44Å; I18-V78 WeakPolarHBondContact O-CA 3.14Å; I18-V79 PolarHBondContact N-O 3.48Å; I18-V79 PolarHBondContact O-N 3.4Å; I18-L81 HydrophobicContact CD1-CD1 3.74Å; I18-L81 HydrophobicContact CD1-CG 4.44Å |
| 19 | H | 97.6 | Very high | 91.6 | Very high | 138 Ų | 138 | 84.9 Ų | 84.9 | 64% | 0.639 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.1 | 166.2 | -69.9 | -107.6 | 0 | 0 | 0 | 108.3 | E17 | E17-H19 IonicContact OE1-NE2 3.92Å |
| 20 | K | 97.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 82.9 Ų | 82.9 | 8% | 0.083 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 138.9 | 179.6 | -68.1 | -179.1 | -173.7 | 169.3 | 0 | 110.3 | L27 I28 L29 L71 K73 E76 E77 V79 | K20-L27 HydrophobicContact CB-CB 3.88Å; K20-L27 HydrophobicContact CB-CD2 4.23Å; K20-L27 HydrophobicContact CD-CB 3.62Å; K20-L27 HydrophobicContact CD-CD1 4.38Å; K20-L27 HydrophobicContact CG-CB 4.37Å; K20-I28 CarbonylContact C-O 3.45Å; K20-I28 VanDerWaalsContact CA-O 3.29Å; K20-I28 WeakPolarHBondContact CA-O 3.33Å; K20-I28 WeakPolarHBondContact CB-O 3.42Å; K20-L29 HydrophobicContact CD-CD2 4.32Å; K20-L29 HydrophobicContact CG-CD2 3.66Å; K20-L29 HydrophobicContact CG-CG 4.17Å; K20-L71 WeakPolarHBondContact CE-O 3.36Å; K20-L71 PolarHBondContact NZ-O 2.68Å; K20-K73 PolarHBondContact NZ-O 2.91Å; K20-E76 WeakPolarHBondContact CD-O 3.34Å; K20-E76 WeakPolarHBondContact CE-O 3.47Å; K20-E76 PolarHBondContact NZ-O 3.12Å; K20-E77 WeakPolarHBondContact CB-O 3.48Å; K20-E77 WeakPolarHBondContact CG-O 3.35Å; K20-E77 PolarHBondContact N-O 3.18Å; K20-V79 VanDerWaalsContact CE-CG2 3.44Å |
| 21 | L | 97.2 | Very high | 93.9 | Very high | 117 Ų | 117 | 81 Ų | 81 | 61% | 0.613 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.8 | 172.6 | -178.8 | 64.4 | 0 | 0 | 0 | 109.5 | L27 I28 | L21-L27 WeakPolarHBondContact O-CA 3.29Å; L21-I28 HydrophobicContact CB-CG1 3.9Å; L21-I28 HydrophobicContact CD2-CD1 4.3Å; L21-I28 HydrophobicContact CG-CG1 4.49Å; L21-I28 PolarHBondContact N-O 3.34Å; L21-I28 WeakPolarHBondContact O-CG1 3.36Å; L21-I28 PolarHBondContact O-N 2.82Å |
| 22 | R | 96.3 | Very high | 94.5 | Very high | 147 Ų | 147 | 83.7 Ų | 83.7 | 56% | 0.555 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124 | 173.4 | -173.9 | 166 | -69.7 | -85.2 | 1.3 | 110.1 | L27 E77 | R22-L27 HydrophobicContact CB-CD2 4.2Å; R22-E77 IonicContact NH2-OE1 3.64Å; R22-E77 PolarHBondContact NH2-OE1 3.29Å |
| 23 | Q | 95 | Very high | 94.9 | Very high | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 98.2 | 175.7 | -168.8 | -177.1 | 37.3 | 0 | 0 | 108.9 | E25 N26 I28 | Q23-E25 PolarHBondContact O-N 3.15Å; Q23-N26 PolarHBondContact N-O 2.85Å; Q23-N26 PolarHBondContact O-N 2.93Å; Q23-I28 HydrophobicContact CB-CD1 4.38Å |
| 24 | G | 94.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 82.5 Ų | 82.5 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -125.3 | -169 | 0 | 0 | 0 | 0 | 0 | 111 | N26 | G24-N26 VanDerWaalsContact C-N 3.31Š|
| 25 | E | 93.2 | Very high | 95.1 | Very high | 162 Ų | 162 | 80.2 Ų | 80.2 | 76% | 0.757 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.5 | 176.6 | -59.8 | -170 | 167.9 | 0 | 0 | 113.9 | Q23 | Q23-E25 PolarHBondContact O-N 3.15Š|
| 26 | N | 93.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 150.9 | -175.1 | -67.1 | -40.2 | 0 | 0 | 0 | 112.3 | Q23 G24 I28 | Q23-N26 PolarHBondContact N-O 2.85Å; Q23-N26 PolarHBondContact O-N 2.93Å; G24-N26 VanDerWaalsContact C-N 3.31Å; N26-I28 HydrophobicContact CB-CG2 4.43Å |
| 27 | L | 95.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.12 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116 | 167.5 | -70.1 | 173.5 | 0 | 0 | 0 | 108.1 | K20 L21 R22 R74 E77 | K20-L27 HydrophobicContact CB-CB 3.88Å; K20-L27 HydrophobicContact CB-CD2 4.23Å; K20-L27 HydrophobicContact CD-CB 3.62Å; K20-L27 HydrophobicContact CD-CD1 4.38Å; K20-L27 HydrophobicContact CG-CB 4.37Å; L21-L27 WeakPolarHBondContact O-CA 3.29Å; R22-L27 HydrophobicContact CB-CD2 4.2Å; L27-R74 WeakPolarHBondContact CD1-O 3.38Å; L27-E77 HydrophobicContact CD1-CG 3.94Å |
| 28 | I | 96 | Very high | 95.1 | Very high | 57 Ų | 57 | 75.6 Ų | 75.6 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.4 | -175.4 | 66.9 | 170.4 | 0 | 0 | 0 | 111.2 | K20 L21 Q23 N26 | K20-I28 CarbonylContact C-O 3.45Å; K20-I28 VanDerWaalsContact CA-O 3.29Å; K20-I28 WeakPolarHBondContact CA-O 3.33Å; K20-I28 WeakPolarHBondContact CB-O 3.42Å; L21-I28 HydrophobicContact CB-CG1 3.9Å; L21-I28 HydrophobicContact CD2-CD1 4.3Å; L21-I28 HydrophobicContact CG-CG1 4.49Å; L21-I28 PolarHBondContact N-O 3.34Å; L21-I28 WeakPolarHBondContact O-CG1 3.36Å; L21-I28 PolarHBondContact O-N 2.82Å; Q23-I28 HydrophobicContact CB-CD1 4.38Å; N26-I28 HydrophobicContact CB-CG2 4.43Å |
| 29 | L | 96.4 | Very high | 95 | Very high | 32 Ų | 32 | 78.3 Ų | 78.3 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | trans | -95 | -22.4 | -180 | -72.8 | 164.1 | 0 | 0 | 0 | 113.6 | I18 K20 F31 L71 V79 | I18-L29 HydrophobicContact CB-CD2 4.33Å; I18-L29 HydrophobicContact CG2-CD2 3.88Å; K20-L29 HydrophobicContact CD-CD2 4.32Å; K20-L29 HydrophobicContact CG-CD2 3.66Å; K20-L29 HydrophobicContact CG-CG 4.17Å; L29-F31 HydrophobicContact CB-CD1 3.63Å; L29-F31 HydrophobicContact CB-CE1 3.47Å; L29-F31 VanDerWaalsContact CB-CE1 3.47Å; L29-F31 HydrophobicContact CB-CZ 4.27Å; L29-F31 HydrophobicContact CD1-CE1 3.79Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CD2-CE1 4.02Å; L29-F31 HydrophobicContact CG-CE1 3.96Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; L29-L71 HydrophobicContact CD1-CB 3.78Å; L29-L71 HydrophobicContact CD1-CD2 4.05Å; L29-L71 HydrophobicContact CD1-CG 4.44Å; L29-V79 HydrophobicContact CD2-CB 3.93Å; L29-V79 HydrophobicContact CD2-CG1 4.45Å; L29-V79 HydrophobicContact CD2-CG2 3.94Å | ||
| 30 | G | 94.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 76 Ų | 76 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 77.4 | 15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 31 | F | 94.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | trans | -138.6 | 163.9 | 173.2 | 70.2 | -94.2 | 0 | 0 | 0 | 111.8 | I18 L29 I33 L71 L81 | I18-F31 HydrophobicContact CD1-CD1 4.02Å; I18-F31 HydrophobicContact CD1-CE1 3.51Å; I18-F31 HydrophobicContact CD1-CZ 4.44Å; L29-F31 HydrophobicContact CB-CD1 3.63Å; L29-F31 HydrophobicContact CB-CE1 3.47Å; L29-F31 VanDerWaalsContact CB-CE1 3.47Å; L29-F31 HydrophobicContact CB-CZ 4.27Å; L29-F31 HydrophobicContact CD1-CE1 3.79Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CD2-CE1 4.02Å; L29-F31 HydrophobicContact CG-CE1 3.96Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; F31-I33 HydrophobicContact CD2-CG2 4.07Å; F31-I33 HydrophobicContact CE2-CG2 3.6Å; F31-L71 HydrophobicContact CE2-CD1 4.41Å; F31-L71 HydrophobicContact CZ-CD1 4.49Å; F31-L71 HydrophobicContact CZ-CD2 4.04Å; F31-L81 HydrophobicContact CE1-CD1 4.36Å; F31-L81 HydrophobicContact CZ-CD1 4.06Å | ||
| 32 | S | 93.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 78.7 Ų | 78.7 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | trans | -110.2 | 154.7 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 33 | I | 93.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 27% | 0.272 | 47% | 0.474 | S | S | . | . | trans | -118.2 | 149.8 | 176.3 | 61.1 | 173 | 0 | 0 | 0 | 110.7 | F31 A67 R68 L71 | F31-I33 HydrophobicContact CD2-CG2 4.07Å; F31-I33 HydrophobicContact CE2-CG2 3.6Å; I33-A67 HydrophobicContact CD1-CB 4.01Å; I33-R68 HydrophobicContact CD1-CB 4.33Å; I33-L71 HydrophobicContact CD1-CD1 3.95Å; I33-L71 HydrophobicContact CG2-CD1 3.7Å | ||
| 34 | G | 93.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 74.8 Ų | 74.8 | 37% | 0.371 | 46% | 0.457 | S | S | . | . | trans | -127.4 | 162.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 35 | G | 93.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 24% | 0.237 | 46% | 0.456 | C | S | . | . | trans | 88.5 | -165.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q39 H64 | G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G35-H64 WeakPolarHBondContact O-CB 3.47Å; G35-H64 PolarHBondContact O-ND1 2.89Å | ||
| 36 | G | 94.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | trans | 122.9 | 147 | -166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D38 Q39 V62 | G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.14Å; G36-Q39 PolarHBondContact O-N 2.82Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; G36-V62 CarbonylContact C-O 3.54Å; G36-V62 WeakPolarHBondContact CA-O 3.36Å | ||
| 37 | I | 94.5 | Very high | 91.6 | Very high | 101 Ų | 101 | 74.3 Ų | 74.3 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.3 | -177.9 | 66.4 | 176.4 | 0 | 0 | 0 | 113.4 | M61 V62 T63 | I37-M61 HydrophobicContact CG2-CE 4.4Å; I37-M61 HydrophobicContact CG2-SD 4.22Å; I37-V62 PolarHBondContact N-O 3.03Å; I37-T63 HydrophobicContact CD1-CG2 4.46Å; I37-T63 HydrophobicContact CG1-CG2 4.14Å |
| 38 | D | 96.6 | Very high | 90.6 | Very high | 81 Ų | 81 | 79.8 Ų | 79.8 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 3.2 | 179.9 | 64.7 | -43.6 | 0 | 0 | 0 | 113.1 | G36 T63 H64 | G36-D38 PolarHBondContact O-N 2.89Å; G36-D38 VanDerWaalsContact O-N 3.14Å; D38-T63 HydrophobicContact CB-CG2 4.13Å; D38-T63 WeakPolarHBondContact OD1-CA 3.39Å; D38-T63 WeakPolarHBondContact OD1-CB 3.38Å; D38-H64 PolarHBondContact OD1-N 2.83Å |
| 39 | Q | 95.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 80.2 Ų | 80.2 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -110 | 155.3 | -178.8 | -56.7 | -60.7 | -56.7 | 0 | 0 | 110.7 | G35 G36 P41 H64 | G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G36-Q39 PolarHBondContact O-N 2.82Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.16Å; Q39-H64 HydrophobicContact CG-CB 3.81Å |
| 40 | D | 93.3 | Very high | 89.2 | Confident | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | trans | -71.8 | 117.8 | 169.6 | 179.7 | -2 | 0 | 0 | 0 | 109.8 | S42 Q43 | D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.16Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.48Å; D40-S42 PolarHBondContact OD1-N 2.88Å; D40-S42 PolarHBondContact OD1-OG 3.04Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.33Å; D40-Q43 HydrophobicContact CB-CG 3.95Å; D40-Q43 PolarHBondContact O-N 2.74Å | ||
| 41 | P | 91.2 | Very high | 88.7 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 71% | 0.708 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -58.7 | -26.6 | 178 | -23.1 | 34.5 | 0 | 0 | 0 | 113.7 | Q39 Q43 N44 | Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.16Å; P41-Q43 PolarHBondContact O-N 2.87Å; P41-N44 PolarHBondContact O-N 3.26Å |
| 42 | S | 90.9 | Very high | 88.3 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.5 | 178.4 | 85 | 0 | 0 | 0 | 0 | 112.9 | D40 | D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.16Å; D40-S42 VanDerWaalsContact OD1-CB 3.29Å; D40-S42 WeakPolarHBondContact OD1-CB 3.48Å; D40-S42 PolarHBondContact OD1-N 2.88Å; D40-S42 PolarHBondContact OD1-OG 3.04Å; D40-S42 VanDerWaalsContact OD1-OG 3.07Å; D40-S42 PolarHBondContact OD2-OG 3.33Å |
| 43 | Q | 90.1 | Very high | 88.1 | Confident | 148 Ų | 148 | 81.2 Ų | 81.2 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -90.7 | -1.4 | -179.1 | -58.7 | -60.6 | -63.7 | 0 | 0 | 113.1 | D40 P41 P45 | D40-Q43 HydrophobicContact CB-CG 3.95Å; D40-Q43 PolarHBondContact O-N 2.74Å; P41-Q43 PolarHBondContact O-N 2.87Å; Q43-P45 WeakPolarHBondContact O-CD 3.45Å |
| 44 | N | 89.3 | Confident | 88.2 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 23% | 0.225 | 44% | 0.439 | C | S | . | . | trans | -87.4 | 108.2 | -179.6 | -176.3 | 8.1 | 0 | 0 | 0 | 111.5 | P41 F46 | P41-N44 PolarHBondContact O-N 3.26Å; N44-F46 PolarHBondContact O-N 2.94Å; N44-F46 PolarHBondContact OD1-N 3.34Å | ||
| 45 | P | 84.1 | Confident | 88.2 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 67% | 0.669 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -74.8 | -9.9 | 178.3 | 32.6 | -35.9 | 0 | 0 | 0 | 113.3 | Q43 | Q43-P45 WeakPolarHBondContact O-CD 3.45Š|
| 46 | F | 81.1 | Confident | 88.2 | Confident | 123 Ų | 123 | 80.8 Ų | 80.8 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | trans | -114.3 | 53.8 | -174.3 | -53 | -66.4 | 0 | 0 | 0 | 111.9 | N44 | N44-F46 PolarHBondContact O-N 2.94Å; N44-F46 PolarHBondContact OD1-N 3.34Å | ||
| 47 | S | 73.1 | Confident | 88.1 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | trans | -82.3 | -14.7 | -173.9 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 48 | E | 74.8 | Confident | 88.1 | Confident | 137 Ų | 137 | 86.3 Ų | 86.3 | 64% | 0.64 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -82.3 | -33.4 | -175.5 | -61.9 | -170.3 | 172.2 | 0 | 0 | 113.9 | ||
| 49 | D | 78.6 | Confident | 87.9 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.8 | 176.4 | -81.5 | -3.2 | 0 | 0 | 0 | 108.8 | T84 R85 | D49-T84 WeakPolarHBondContact CA-O 3.45Å; D49-R85 WeakPolarHBondContact OD1-CA 3.41Å; D49-R85 VanDerWaalsContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CG 3.48Å; D49-R85 IonicContact OD1-NE 3.82Å; D49-R85 IonicContact OD2-CZ 3.19Å; D49-R85 VanDerWaalsContact OD2-CZ 3.27Å; D49-R85 IonicContact OD2-NE 3.03Å; D49-R85 PolarHBondContact OD2-NE 3.35Å; D49-R85 IonicContact OD2-NH2 2.85Å; D49-R85 PolarHBondContact OD2-NH2 3.19Å |
| 50 | K | 84.2 | Confident | 87.7 | Confident | 133 Ų | 133 | 83.3 Ų | 83.3 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.4 | -178.4 | -67.8 | -176.4 | -179.3 | 178.1 | 0 | 110.6 | V83 T84 | K50-V83 CarbonylContact O-C 3.59Å; K50-V83 WeakPolarHBondContact O-CA 3.44Å; K50-T84 PolarHBondContact N-O 2.96Å; K50-T84 PolarHBondContact O-N 3.38Å |
| 51 | T | 83.4 | Confident | 87.7 | Confident | 51 Ų | 51 | 85.8 Ų | 85.8 | 31% | 0.313 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.6 | 170.8 | -59.2 | 0 | 0 | 0 | 0 | 109 | V54 M59 L81 V83 | T51-V54 HydrophobicContact CG2-CG2 3.86Å; T51-M59 HydrophobicContact CG2-CG 4.22Å; T51-M59 WeakPolarHBondContact O-CB 3.46Å; T51-L81 HydrophobicContact CG2-CD2 4.23Å; T51-V83 HydrophobicContact CG2-CG1 4.39Å |
| 52 | D | 85.9 | Confident | 87.8 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -39.1 | -179 | -56.6 | -60.4 | 0 | 0 | 0 | 111.1 | M59 L82 T84 | D52-M59 PolarHBondContact O-N 2.88Å; D52-L82 PolarHBondContact N-O 3.27Å; D52-T84 PolarHBondContact OD2-N 2.82Å; D52-T84 PolarHBondContact OD2-OG1 2.85Å |
| 53 | K | 90.9 | Very high | 88.1 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.8 | 178.6 | -54.5 | -172.9 | 179.1 | -177.7 | 0 | 113.9 | W57 L81 L82 | K53-W57 CarbonylContact C-O 3.53Å; K53-W57 WeakPolarHBondContact CA-O 3.46Å; K53-W57 WeakPolarHBondContact CB-O 3.35Å; K53-L81 WeakPolarHBondContact O-CA 3.15Å; K53-L82 HydrophobicContact CB-CB 4.14Å; K53-L82 HydrophobicContact CB-CD1 4.18Å; K53-L82 HydrophobicContact CD-CD1 4Å; K53-L82 HydrophobicContact CG-CD1 4.31Å; K53-L82 PolarHBondContact N-O 3.22Å; K53-L82 PolarHBondContact O-N 3.37Å |
| 54 | V | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.2 | 172.8 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | T51 G56 W57 M59 R70 L71 V79 L81 | T51-V54 HydrophobicContact CG2-CG2 3.86Å; V54-G56 PolarHBondContact O-N 2.86Å; V54-W57 PolarHBondContact N-O 2.92Å; V54-W57 WeakPolarHBondContact O-CB 3.33Å; V54-W57 PolarHBondContact O-N 2.89Å; V54-M59 HydrophobicContact CB-CG 4.1Å; V54-M59 HydrophobicContact CB-SD 3.89Å; V54-M59 HydrophobicContact CG2-CE 3.86Å; V54-M59 HydrophobicContact CG2-CG 3.6Å; V54-M59 HydrophobicContact CG2-SD 3.58Å; V54-M59 VanDerWaalsContact CG2-SD 3.58Å; V54-R70 HydrophobicContact CB-CG 4.07Å; V54-R70 HydrophobicContact CG1-CG 3.76Å; V54-L71 HydrophobicContact CB-CD2 4.49Å; V54-L71 HydrophobicContact CG1-CD2 3.82Å; V54-L71 HydrophobicContact CG1-CG 4.36Å; V54-L71 HydrophobicContact CG2-CD2 3.73Å; V54-L71 HydrophobicContact CG2-CG 4.24Å; V54-V79 HydrophobicContact CG1-CG1 4.06Å; V54-L81 HydrophobicContact CB-CD2 4.39Å; V54-L81 HydrophobicContact CG1-CD2 4.41Å; V54-L81 HydrophobicContact CG2-CD2 3.62Å |
| 55 | N | 93.4 | Very high | 88.8 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 46.4 | -178 | -77.1 | -17.3 | 0 | 0 | 0 | 111.7 | W57 R70 E76 V78 R80 | N55-W57 PolarHBondContact O-N 2.79Å; N55-R70 PolarHBondContact O-NH2 2.72Å; N55-E76 PolarHBondContact ND2-OE2 2.93Å; N55-V78 PolarHBondContact ND2-O 3Å; N55-V78 VanDerWaalsContact ND2-O 3.09Å; N55-R80 PolarHBondContact N-O 3.01Å; N55-R80 WeakPolarHBondContact OD1-CB 3.13Å; N55-R80 PolarHBondContact OD1-N 3.46Å |
| 56 | G | 93.6 | Very high | 89.4 | Confident | 63 Ų | 63 | 75.8 Ų | 75.8 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -11.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V54 | V54-G56 PolarHBondContact O-N 2.86Š|
| 57 | W | 93 | Very high | 90.2 | Very high | 170 Ų | 170 | 70.3 Ų | 70.3 | 64% | 0.644 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 134.3 | 175.6 | -85.1 | 63.6 | 0 | 0 | 0 | 111.3 | K53 V54 N55 R70 | K53-W57 CarbonylContact C-O 3.53Å; K53-W57 WeakPolarHBondContact CA-O 3.46Å; K53-W57 WeakPolarHBondContact CB-O 3.35Å; V54-W57 PolarHBondContact N-O 2.92Å; V54-W57 WeakPolarHBondContact O-CB 3.33Å; V54-W57 PolarHBondContact O-N 2.89Å; N55-W57 PolarHBondContact O-N 2.79Å; W57-R70 HydrophobicContact CB-CG 4.36Å |
| 58 | D | 93.8 | Very high | 91.3 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132.8 | 175.1 | -162.2 | -62.2 | 0 | 0 | 0 | 110.9 | T60 V62 | D58-T60 VanDerWaalsContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CB 3.33Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å; D58-V62 WeakPolarHBondContact O-CG1 3.09Å |
| 59 | M | 92.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 71.3 Ų | 71.3 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | trans | -112.4 | 2.2 | -177.6 | -62.2 | -68.8 | -65 | 0 | 0 | 112.9 | T51 D52 V54 V62 A67 | T51-M59 HydrophobicContact CG2-CG 4.22Å; T51-M59 WeakPolarHBondContact O-CB 3.46Å; D52-M59 PolarHBondContact O-N 2.88Å; V54-M59 HydrophobicContact CB-CG 4.1Å; V54-M59 HydrophobicContact CB-SD 3.89Å; V54-M59 HydrophobicContact CG2-CE 3.86Å; V54-M59 HydrophobicContact CG2-CG 3.6Å; V54-M59 HydrophobicContact CG2-SD 3.58Å; V54-M59 VanDerWaalsContact CG2-SD 3.58Å; M59-V62 HydrophobicContact CE-CG2 4.22Å; M59-V62 WeakPolarHBondContact O-CG2 3.41Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; M59-A67 HydrophobicContact CE-CB 3.29Å | ||
| 60 | T | 90.4 | Very high | 93.2 | Very high | 82 Ų | 82 | 70 Ų | 70 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.6 | -173.6 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | D58 | D58-T60 VanDerWaalsContact OD1-CB 3.3Å; D58-T60 WeakPolarHBondContact OD1-CB 3.33Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.37Å; D58-T60 PolarHBondContact OD1-N 2.93Å; D58-T60 PolarHBondContact OD1-OG1 2.92Å |
| 61 | M | 92.9 | Very high | 93.8 | Very high | 141 Ų | 141 | 64 Ų | 64 | 70% | 0.695 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 53 | -174.7 | -66.3 | -64.4 | -66.1 | 0 | 0 | 111.6 | I37 | I37-M61 HydrophobicContact CG2-CE 4.4Å; I37-M61 HydrophobicContact CG2-SD 4.22Å |
| 62 | V | 94.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | trans | -122.5 | 154.7 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | G36 I37 D58 M59 Q66 A67 | G36-V62 CarbonylContact C-O 3.54Å; G36-V62 WeakPolarHBondContact CA-O 3.36Å; I37-V62 PolarHBondContact N-O 3.03Å; D58-V62 WeakPolarHBondContact O-CG1 3.09Å; M59-V62 HydrophobicContact CE-CG2 4.22Å; M59-V62 WeakPolarHBondContact O-CG2 3.41Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; V62-Q66 HydrophobicContact CB-CB 4.03Å; V62-A67 HydrophobicContact CG2-CB 3.97Å | ||
| 63 | T | 96.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | trans | -72.6 | 160.2 | 168.6 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | I37 D38 D65 Q66 A67 | I37-T63 HydrophobicContact CD1-CG2 4.46Å; I37-T63 HydrophobicContact CG1-CG2 4.14Å; D38-T63 HydrophobicContact CB-CG2 4.13Å; D38-T63 WeakPolarHBondContact OD1-CA 3.39Å; D38-T63 WeakPolarHBondContact OD1-CB 3.38Å; T63-D65 VanDerWaalsContact C-N 3.27Å; T63-D65 PolarHBondContact O-N 3.31Å; T63-Q66 WeakPolarHBondContact O-CB 3.3Å; T63-Q66 PolarHBondContact O-N 2.6Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.33Å; T63-Q66 VanDerWaalsContact OG1-CG 3.26Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.42Å; T63-Q66 PolarHBondContact OG1-N 3.23Å; T63-A67 PolarHBondContact O-N 3.42Å | ||
| 64 | H | 96.1 | Very high | 95 | Very high | 57 Ų | 57 | 71.5 Ų | 71.5 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.3 | -44.5 | 176 | -172.3 | 86.2 | 0 | 0 | 0 | 111.8 | G35 D38 Q39 A67 R68 | G35-H64 WeakPolarHBondContact O-CB 3.47Å; G35-H64 PolarHBondContact O-ND1 2.89Å; D38-H64 PolarHBondContact OD1-N 2.83Å; Q39-H64 HydrophobicContact CG-CB 3.81Å; H64-A67 WeakPolarHBondContact O-CB 3.3Å; H64-A67 PolarHBondContact O-N 2.93Å; H64-R68 WeakPolarHBondContact O-CB 3.26Å; H64-R68 PolarHBondContact O-N 3.48Å |
| 65 | D | 97.5 | Very high | 95.1 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 31% | 0.305 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -33.8 | -179.9 | -173.4 | 59 | 0 | 0 | 0 | 112.6 | T63 R68 K69 | T63-D65 VanDerWaalsContact C-N 3.27Å; T63-D65 PolarHBondContact O-N 3.31Å; D65-R68 PolarHBondContact O-N 3.33Å; D65-R68 IonicContact OD1-CZ 3.02Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NE 2.71Å; D65-R68 PolarHBondContact OD1-NE 3Å; D65-R68 IonicContact OD1-NH2 3.71Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; D65-K69 WeakPolarHBondContact O-CB 3.49Å; D65-K69 VanDerWaalsContact O-CG 3.3Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 2.66Å; D65-K69 WeakPolarHBondContact OD2-CD 3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 3.66Å; D65-K69 PolarHBondContact OD2-NZ 2.87Å |
| 66 | Q | 97.6 | Very high | 95.2 | Very high | 102 Ų | 102 | 75.7 Ų | 75.7 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 172 | -76.9 | 171.4 | -17.9 | 0 | 0 | 111.1 | V62 T63 K69 R70 | V62-Q66 HydrophobicContact CB-CB 4.03Å; T63-Q66 WeakPolarHBondContact O-CB 3.3Å; T63-Q66 PolarHBondContact O-N 2.6Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.33Å; T63-Q66 VanDerWaalsContact OG1-CG 3.26Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.42Å; T63-Q66 PolarHBondContact OG1-N 3.23Å; Q66-K69 PolarHBondContact O-N 2.95Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 2.9Å |
| 67 | A | 96.5 | Very high | 95.3 | Very high | 9 Ų | 9 | 78 Ų | 78 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I33 M59 V62 T63 H64 K69 R70 L71 | I33-A67 HydrophobicContact CD1-CB 4.01Å; M59-A67 HydrophobicContact CE-CB 3.29Å; V62-A67 HydrophobicContact CG2-CB 3.97Å; T63-A67 PolarHBondContact O-N 3.42Å; H64-A67 WeakPolarHBondContact O-CB 3.3Å; H64-A67 PolarHBondContact O-N 2.93Å; A67-K69 PolarHBondContact O-N 3.45Å; A67-R70 PolarHBondContact O-N 3.2Å; A67-L71 WeakPolarHBondContact O-CG 3.19Å; A67-L71 PolarHBondContact O-N 3.48Å |
| 68 | R | 97.2 | Very high | 95.5 | Very high | 109 Ų | 109 | 71.4 Ų | 71.4 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 177.1 | -174 | -165.3 | 68.2 | 82.3 | -2.7 | 111.7 | I33 H64 D65 R70 L71 T72 | I33-R68 HydrophobicContact CD1-CB 4.33Å; H64-R68 WeakPolarHBondContact O-CB 3.26Å; H64-R68 PolarHBondContact O-N 3.48Å; D65-R68 PolarHBondContact O-N 3.33Å; D65-R68 IonicContact OD1-CZ 3.02Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NE 2.71Å; D65-R68 PolarHBondContact OD1-NE 3Å; D65-R68 IonicContact OD1-NH2 3.71Å; D65-R68 PolarHBondContact OD1-NH2 3.39Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.66Å; R68-L71 PolarHBondContact O-N 2.78Å; R68-T72 HydrophobicContact CG-CG2 4.49Å; R68-T72 WeakPolarHBondContact O-CB 3.42Å; R68-T72 WeakPolarHBondContact O-CG2 3.41Å; R68-T72 PolarHBondContact O-N 3.19Å; R68-T72 PolarHBondContact O-OG1 2.81Å |
| 69 | K | 97.2 | Very high | 95.7 | Very high | 125 Ų | 125 | 67.7 Ų | 67.7 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 177.9 | -79.6 | 170.5 | 170.8 | 158.3 | 0 | 111.8 | D65 Q66 A67 T72 K73 | D65-K69 WeakPolarHBondContact O-CB 3.49Å; D65-K69 VanDerWaalsContact O-CG 3.3Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 2.66Å; D65-K69 WeakPolarHBondContact OD2-CD 3Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 3.66Å; D65-K69 PolarHBondContact OD2-NZ 2.87Å; Q66-K69 PolarHBondContact O-N 2.95Å; A67-K69 PolarHBondContact O-N 3.45Å; K69-T72 PolarHBondContact O-N 2.82Å; K69-K73 PolarHBondContact O-N 3.31Å |
| 70 | R | 96.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 70.8 Ų | 70.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.1 | -171.9 | 69.2 | -169 | 90.6 | -10.2 | 112.1 | V54 N55 W57 Q66 A67 R68 E76 | V54-R70 HydrophobicContact CB-CG 4.07Å; V54-R70 HydrophobicContact CG1-CG 3.76Å; N55-R70 PolarHBondContact O-NH2 2.72Å; W57-R70 HydrophobicContact CB-CG 4.36Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 2.9Å; A67-R70 PolarHBondContact O-N 3.2Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.66Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact CZ-OE2 2.9Å; R70-E76 VanDerWaalsContact NH1-CD 3.33Å; R70-E76 IonicContact NH1-OE1 2.72Å; R70-E76 PolarHBondContact NH1-OE1 3.44Å; R70-E76 IonicContact NH1-OE2 3.24Å; R70-E76 PolarHBondContact NH1-OE2 2.87Å; R70-E76 IonicContact NH2-OE1 3.55Å; R70-E76 IonicContact NH2-OE2 2.66Å |
| 71 | L | 96.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.4 | -35 | 179.5 | -74.7 | 166.4 | 0 | 0 | 0 | 112.9 | K20 L29 F31 I33 V54 A67 R68 V79 L81 | K20-L71 WeakPolarHBondContact CE-O 3.36Å; K20-L71 PolarHBondContact NZ-O 2.68Å; L29-L71 HydrophobicContact CD1-CB 3.78Å; L29-L71 HydrophobicContact CD1-CD2 4.05Å; L29-L71 HydrophobicContact CD1-CG 4.44Å; F31-L71 HydrophobicContact CE2-CD1 4.41Å; F31-L71 HydrophobicContact CZ-CD1 4.49Å; F31-L71 HydrophobicContact CZ-CD2 4.04Å; I33-L71 HydrophobicContact CD1-CD1 3.95Å; I33-L71 HydrophobicContact CG2-CD1 3.7Å; V54-L71 HydrophobicContact CB-CD2 4.49Å; V54-L71 HydrophobicContact CG1-CD2 3.82Å; V54-L71 HydrophobicContact CG1-CG 4.36Å; V54-L71 HydrophobicContact CG2-CD2 3.73Å; V54-L71 HydrophobicContact CG2-CG 4.24Å; A67-L71 WeakPolarHBondContact O-CG 3.19Å; A67-L71 PolarHBondContact O-N 3.48Å; R68-L71 PolarHBondContact O-N 2.78Å; L71-V79 HydrophobicContact CD2-CG1 3.88Å; L71-L81 HydrophobicContact CD2-CD2 3.87Å |
| 72 | T | 96 | Very high | 96.3 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 10.3 | -173.3 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | R68 K69 R74 | R68-T72 HydrophobicContact CG-CG2 4.49Å; R68-T72 WeakPolarHBondContact O-CB 3.42Å; R68-T72 WeakPolarHBondContact O-CG2 3.41Å; R68-T72 PolarHBondContact O-N 3.19Å; R68-T72 PolarHBondContact O-OG1 2.81Å; K69-T72 PolarHBondContact O-N 2.82Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-R74 VanDerWaalsContact O-N 3.15Å |
| 73 | K | 95.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | trans | -57.3 | 120.4 | 179.2 | -165.7 | 175.6 | 172.9 | -163 | 0 | 111.4 | K20 K69 S75 E76 | K20-K73 PolarHBondContact NZ-O 2.91Å; K69-K73 PolarHBondContact O-N 3.31Å; K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å; K73-S75 PolarHBondContact O-N 3.18Å; K73-E76 HydrophobicContact CD-CG 4.19Å; K73-E76 WeakPolarHBondContact CD-OE1 3.42Å; K73-E76 IonicContact NZ-OE1 3.27Å; K73-E76 PolarHBondContact NZ-OE1 3.43Å; K73-E76 PolarHBondContact O-N 2.79Å | ||
| 74 | R | 93.9 | Very high | 95.8 | Very high | 174 Ų | 174 | 62.5 Ų | 62.5 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.8 | -172.9 | -71.7 | -176.1 | 173.6 | -176.6 | -6.2 | 113.9 | L27 T72 E76 | L27-R74 WeakPolarHBondContact CD1-O 3.38Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-R74 VanDerWaalsContact O-N 3.15Å; R74-E76 PolarHBondContact O-N 3.05Å |
| 75 | S | 95.2 | Very high | 95.4 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6.8 | 178.1 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | K73 | K73-S75 VanDerWaalsContact C-N 3.29Å; K73-S75 WeakPolarHBondContact CE-OG 3.5Å; K73-S75 PolarHBondContact O-N 3.18Å |
| 76 | E | 95.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | trans | -115.1 | 97.6 | -177.1 | -67.4 | 179.7 | -162.5 | 0 | 0 | 108.8 | K20 N55 R70 K73 R74 V78 | K20-E76 WeakPolarHBondContact CD-O 3.34Å; K20-E76 WeakPolarHBondContact CE-O 3.47Å; K20-E76 PolarHBondContact NZ-O 3.12Å; N55-E76 PolarHBondContact ND2-OE2 2.93Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact CZ-OE2 2.9Å; R70-E76 VanDerWaalsContact NH1-CD 3.33Å; R70-E76 IonicContact NH1-OE1 2.72Å; R70-E76 PolarHBondContact NH1-OE1 3.44Å; R70-E76 IonicContact NH1-OE2 3.24Å; R70-E76 PolarHBondContact NH1-OE2 2.87Å; R70-E76 IonicContact NH2-OE1 3.55Å; R70-E76 IonicContact NH2-OE2 2.66Å; K73-E76 HydrophobicContact CD-CG 4.19Å; K73-E76 WeakPolarHBondContact CD-OE1 3.42Å; K73-E76 IonicContact NZ-OE1 3.27Å; K73-E76 PolarHBondContact NZ-OE1 3.43Å; K73-E76 PolarHBondContact O-N 2.79Å; R74-E76 PolarHBondContact O-N 3.05Å; E76-V78 VanDerWaalsContact C-N 3.27Å | ||
| 77 | E | 96.4 | Very high | 94.2 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -73.2 | -22.2 | 175.3 | -61 | -161.9 | 150.8 | 0 | 0 | 112.3 | K20 R22 L27 | K20-E77 WeakPolarHBondContact CB-O 3.48Å; K20-E77 WeakPolarHBondContact CG-O 3.35Å; K20-E77 PolarHBondContact N-O 3.18Å; R22-E77 IonicContact NH2-OE1 3.64Å; R22-E77 PolarHBondContact NH2-OE1 3.29Å; L27-E77 HydrophobicContact CD1-CG 3.94Å |
| 78 | V | 97.1 | Very high | 93.7 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.4 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.5 | E17 I18 N55 E76 R80 | E17-V78 HydrophobicContact CG-CG1 3.57Å; I18-V78 WeakPolarHBondContact O-CA 3.14Å; N55-V78 PolarHBondContact ND2-O 3Å; N55-V78 VanDerWaalsContact ND2-O 3.09Å; E76-V78 VanDerWaalsContact C-N 3.27Å; V78-R80 HydrophobicContact CG1-CG 4.37Å |
| 79 | V | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | 174.7 | 169.1 | 0 | 0 | 0 | 0 | 109.4 | I18 K20 L29 V54 L71 L81 | I18-V79 PolarHBondContact N-O 3.48Å; I18-V79 PolarHBondContact O-N 3.4Å; K20-V79 VanDerWaalsContact CE-CG2 3.44Å; L29-V79 HydrophobicContact CD2-CB 3.93Å; L29-V79 HydrophobicContact CD2-CG1 4.45Å; L29-V79 HydrophobicContact CD2-CG2 3.94Å; V54-V79 HydrophobicContact CG1-CG1 4.06Å; L71-V79 HydrophobicContact CD2-CG1 3.88Å; V79-L81 HydrophobicContact CG1-CD2 3.47Å; V79-L81 VanDerWaalsContact CG1-CD2 3.47Å; V79-L81 HydrophobicContact CG1-CG 4.04Å |
| 80 | R | 97.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.3 | 176.2 | -62.4 | -179.7 | 174.2 | 87.1 | 11 | 109.3 | V16 E17 N55 V78 | V16-R80 CarbonylContact O-C 3.59Å; V16-R80 WeakPolarHBondContact O-CA 3.4Å; E17-R80 HydrophobicContact CB-CG 4.45Å; E17-R80 VanDerWaalsContact CD-NH2 3.32Å; E17-R80 HydrophobicContact CG-CG 4.1Å; E17-R80 IonicContact OE1-CZ 3.59Å; E17-R80 IonicContact OE1-NE 3.71Å; E17-R80 IonicContact OE1-NH2 2.81Å; E17-R80 PolarHBondContact OE1-NH2 3.3Å; E17-R80 IonicContact OE2-CZ 3.39Å; E17-R80 IonicContact OE2-NE 2.72Å; E17-R80 PolarHBondContact OE2-NE 3.35Å; E17-R80 IonicContact OE2-NH2 3.26Å; E17-R80 PolarHBondContact OE2-NH2 3Å; N55-R80 PolarHBondContact N-O 3.01Å; N55-R80 WeakPolarHBondContact OD1-CB 3.13Å; N55-R80 PolarHBondContact OD1-N 3.46Å; V78-R80 HydrophobicContact CG1-CG 4.37Å |
| 81 | L | 96.1 | Very high | 92 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.8 | 178.4 | -51.3 | 178.6 | 0 | 0 | 0 | 109.6 | R15 V16 I18 F31 T51 K53 V54 L71 V79 V83 | R15-L81 CarbonylContact C-O 3.55Å; R15-L81 WeakPolarHBondContact CA-O 3.42Å; V16-L81 HydrophobicContact CB-CB 4.34Å; V16-L81 PolarHBondContact N-O 3.03Å; V16-L81 PolarHBondContact O-N 3.03Å; I18-L81 HydrophobicContact CD1-CD1 3.74Å; I18-L81 HydrophobicContact CD1-CG 4.44Å; F31-L81 HydrophobicContact CE1-CD1 4.36Å; F31-L81 HydrophobicContact CZ-CD1 4.06Å; T51-L81 HydrophobicContact CG2-CD2 4.23Å; K53-L81 WeakPolarHBondContact O-CA 3.15Å; V54-L81 HydrophobicContact CB-CD2 4.39Å; V54-L81 HydrophobicContact CG1-CD2 4.41Å; V54-L81 HydrophobicContact CG2-CD2 3.62Å; L71-L81 HydrophobicContact CD2-CD2 3.87Å; V79-L81 HydrophobicContact CG1-CD2 3.47Å; V79-L81 VanDerWaalsContact CG1-CD2 3.47Å; V79-L81 HydrophobicContact CG1-CG 4.04Å; L81-V83 HydrophobicContact CB-CG1 3.87Å; L81-V83 HydrophobicContact CD1-CG1 4.47Å |
| 82 | L | 94.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 67.2 Ų | 67.2 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.6 | 155 | -83.7 | 161.6 | 0 | 0 | 0 | 106.9 | V13 Q14 R15 D52 K53 | V13-L82 HydrophobicContact CB-CD2 4.06Å; V13-L82 HydrophobicContact CG2-CD2 3.82Å; Q14-L82 WeakPolarHBondContact O-CA 3.42Å; R15-L82 HydrophobicContact CB-CD2 4.33Å; D52-L82 PolarHBondContact N-O 3.27Å; K53-L82 HydrophobicContact CB-CB 4.14Å; K53-L82 HydrophobicContact CB-CD1 4.18Å; K53-L82 HydrophobicContact CD-CD1 4Å; K53-L82 HydrophobicContact CG-CD1 4.31Å; K53-L82 PolarHBondContact N-O 3.22Å; K53-L82 PolarHBondContact O-N 3.37Å |
| 83 | V | 92.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.6 | -177.4 | -58.5 | 0 | 0 | 0 | 0 | 111 | V13 Q14 V16 K50 T51 L81 R85 | V13-V83 CarbonylContact C-O 3.47Å; V13-V83 WeakPolarHBondContact CA-O 3.45Å; Q14-V83 HydrophobicContact CB-CG2 3.88Å; Q14-V83 PolarHBondContact N-O 3.11Å; Q14-V83 PolarHBondContact O-N 3.19Å; V16-V83 HydrophobicContact CG2-CG2 4.05Å; K50-V83 CarbonylContact O-C 3.59Å; K50-V83 WeakPolarHBondContact O-CA 3.44Å; T51-V83 HydrophobicContact CG2-CG1 4.39Å; L81-V83 HydrophobicContact CB-CG1 3.87Å; L81-V83 HydrophobicContact CD1-CG1 4.47Å; V83-R85 HydrophobicContact CG2-CG 4.09Å |
| 84 | T | 89.8 | Confident | 90.5 | Very high | 24 Ų | 24 | 71.8 Ų | 71.8 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.1 | 167.3 | -64 | 0 | 0 | 0 | 0 | 108.8 | A11 D49 K50 D52 | A11-T84 HydrophobicContact CB-CG2 4.02Å; D49-T84 WeakPolarHBondContact CA-O 3.45Å; K50-T84 PolarHBondContact N-O 2.96Å; K50-T84 PolarHBondContact O-N 3.38Å; D52-T84 PolarHBondContact OD2-N 2.82Å; D52-T84 PolarHBondContact OD2-OG1 2.85Å |
| 85 | R | 86.8 | Confident | 90.2 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.8 | 178.2 | -48.4 | -174.2 | 104 | 166.9 | 7.1 | 110 | D49 V83 S87 L88 Q89 | D49-R85 WeakPolarHBondContact OD1-CA 3.41Å; D49-R85 VanDerWaalsContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CB 3.3Å; D49-R85 WeakPolarHBondContact OD1-CG 3.48Å; D49-R85 IonicContact OD1-NE 3.82Å; D49-R85 IonicContact OD2-CZ 3.19Å; D49-R85 VanDerWaalsContact OD2-CZ 3.27Å; D49-R85 IonicContact OD2-NE 3.03Å; D49-R85 PolarHBondContact OD2-NE 3.35Å; D49-R85 IonicContact OD2-NH2 2.85Å; D49-R85 PolarHBondContact OD2-NH2 3.19Å; V83-R85 HydrophobicContact CG2-CG 4.09Å; R85-S87 PolarHBondContact O-N 3.21Å; R85-L88 HydrophobicContact CB-CB 4.32Å; R85-L88 HydrophobicContact CB-CD1 3.92Å; R85-L88 HydrophobicContact CB-CG 4.04Å; R85-L88 HydrophobicContact CG-CD1 3.97Å; R85-L88 PolarHBondContact O-N 3.17Å; R85-L88 VanDerWaalsContact O-N 3.11Å; R85-Q89 PolarHBondContact O-N 3.38Å |
| 86 | Q | 83.6 | Confident | 89.5 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -33.6 | -177.5 | -161.3 | -176.4 | 27.6 | 0 | 0 | 112.4 | Q89 K90 | Q86-Q89 PolarHBondContact O-N 3.14Å; Q86-K90 WeakPolarHBondContact O-CG 3.47Å; Q86-K90 PolarHBondContact O-N 3.1Å; Q86-K90 VanDerWaalsContact O-N 3.14Å |
| 87 | S | 86.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.5 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | R85 K90 A91 | R85-S87 PolarHBondContact O-N 3.21Å; S87-K90 PolarHBondContact O-N 3.46Å; S87-A91 PolarHBondContact O-N 3.45Å |
| 88 | L | 86.4 | Confident | 87.1 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 177.9 | -69.1 | 174.6 | 0 | 0 | 0 | 112.2 | V12 Q14 R85 K90 A91 V92 | V12-L88 HydrophobicContact CB-CB 4.4Å; V12-L88 HydrophobicContact CG1-CB 3.86Å; Q14-L88 HydrophobicContact CB-CD1 3.57Å; Q14-L88 HydrophobicContact CG-CD1 4.29Å; R85-L88 HydrophobicContact CB-CB 4.32Å; R85-L88 HydrophobicContact CB-CD1 3.92Å; R85-L88 HydrophobicContact CB-CG 4.04Å; R85-L88 HydrophobicContact CG-CD1 3.97Å; R85-L88 PolarHBondContact O-N 3.17Å; R85-L88 VanDerWaalsContact O-N 3.11Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-A91 PolarHBondContact O-N 3.16Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å |
| 89 | Q | 84 | Confident | 86.6 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.1 | -167.6 | 172.7 | 15.5 | 0 | 0 | 111.4 | R85 Q86 V92 Q93 | R85-Q89 PolarHBondContact O-N 3.38Å; Q86-Q89 PolarHBondContact O-N 3.14Å; Q89-V92 PolarHBondContact O-N 3.31Å; Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 PolarHBondContact O-N 3.3Å |
| 90 | K | 85.7 | Confident | 86.1 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.7 | -70.1 | 174.6 | -178 | 172.5 | 0 | 111.7 | Q86 S87 L88 Q93 Q94 | Q86-K90 WeakPolarHBondContact O-CG 3.47Å; Q86-K90 PolarHBondContact O-N 3.1Å; Q86-K90 VanDerWaalsContact O-N 3.14Å; S87-K90 PolarHBondContact O-N 3.46Å; L88-K90 VanDerWaalsContact C-N 3.34Å; K90-Q93 PolarHBondContact O-N 2.9Å; K90-Q94 WeakPolarHBondContact O-CG 3.5Å; K90-Q94 PolarHBondContact O-N 3.25Å |
| 91 | A | 86.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S87 L88 Q94 S95 | S87-A91 PolarHBondContact O-N 3.45Å; L88-A91 PolarHBondContact O-N 3.16Å; A91-Q94 PolarHBondContact O-N 3.28Å; A91-S95 PolarHBondContact O-N 3.16Å |
| 92 | V | 85.3 | Confident | 84.8 | Confident | 61 Ų | 61 | 87 Ų | 87 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V12 L88 Q89 Q94 S95 M96 | V12-V92 HydrophobicContact CB-CG2 4.41Å; V12-V92 HydrophobicContact CG1-CG2 3.81Å; V12-V92 HydrophobicContact CG2-CB 3.85Å; V12-V92 HydrophobicContact CG2-CG1 4.14Å; V12-V92 HydrophobicContact CG2-CG2 3.74Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å; Q89-V92 PolarHBondContact O-N 3.31Å; V92-Q94 VanDerWaalsContact C-N 3.29Å; V92-Q94 PolarHBondContact O-N 3.14Å; V92-S95 WeakPolarHBondContact CA-OG 3.17Å; V92-S95 PolarHBondContact O-N 3.26Å; V92-S95 PolarHBondContact O-OG 2.95Å; V92-M96 HydrophobicContact CG1-CG 4.4Å; V92-M96 WeakPolarHBondContact O-CG 3.27Å; V92-M96 PolarHBondContact O-N 3.41Å; V92-M96 VanDerWaalsContact O-N 3.12Å |
| 93 | Q | 83.4 | Confident | 84.2 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 176.6 | -169.4 | 175 | 6.1 | 0 | 0 | 111.5 | Q89 K90 M96 L97 | Q89-Q93 WeakPolarHBondContact O-CB 3.37Å; Q89-Q93 PolarHBondContact O-N 3.3Å; K90-Q93 PolarHBondContact O-N 2.9Å; Q93-M96 PolarHBondContact O-N 3.07Å; Q93-L97 WeakPolarHBondContact O-CG 3.29Å |
| 94 | Q | 86.4 | Confident | 83.7 | Confident | 139 Ų | 139 | 93.8 Ų | 93.8 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 174.7 | -74 | 174.2 | -14.4 | 0 | 0 | 112.1 | K90 A91 V92 M96 L97 S98 | K90-Q94 WeakPolarHBondContact O-CG 3.5Å; K90-Q94 PolarHBondContact O-N 3.25Å; A91-Q94 PolarHBondContact O-N 3.28Å; V92-Q94 VanDerWaalsContact C-N 3.29Å; V92-Q94 PolarHBondContact O-N 3.14Å; Q94-M96 PolarHBondContact O-N 3.26Å; Q94-L97 PolarHBondContact O-N 3.07Å; Q94-L97 VanDerWaalsContact O-N 3.16Å; Q94-S98 PolarHBondContact O-N 2.71Å |
| 95 | S | 88 | Confident | 83.2 | Confident | 69 Ų | 69 | 98.8 Ų | 98.8 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.9 | -20.1 | 178.6 | 66.3 | 0 | 0 | 0 | 0 | 114 | A91 V92 S98 | A91-S95 PolarHBondContact O-N 3.16Å; V92-S95 WeakPolarHBondContact CA-OG 3.17Å; V92-S95 PolarHBondContact O-N 3.26Å; V92-S95 PolarHBondContact O-OG 2.95Å; S95-S98 PolarHBondContact O-OG 2.86Å; S95-S98 VanDerWaalsContact O-OG 3.05Å |
| 96 | M | 81.8 | Confident | 83 | Confident | 155 Ų | 155 | 99.7 Ų | 99.7 | 76% | 0.764 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14.9 | 176.3 | -66.4 | -90.8 | -79.7 | 0 | 0 | 112.6 | V92 Q93 Q94 | V92-M96 HydrophobicContact CG1-CG 4.4Å; V92-M96 WeakPolarHBondContact O-CG 3.27Å; V92-M96 PolarHBondContact O-N 3.41Å; V92-M96 VanDerWaalsContact O-N 3.12Å; Q93-M96 PolarHBondContact O-N 3.07Å; Q94-M96 PolarHBondContact O-N 3.26Å |
| 97 | L | 77.7 | Confident | 82.9 | Confident | 149 Ų | 149 | 100.8 Ų | 100.8 | 78% | 0.78 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.2 | 179.4 | -69.3 | 167.1 | 0 | 0 | 0 | 112.9 | Q93 Q94 | Q93-L97 WeakPolarHBondContact O-CG 3.29Å; Q94-L97 PolarHBondContact O-N 3.07Å; Q94-L97 VanDerWaalsContact O-N 3.16Å |
| 98 | S | 63.2 | Low | 82.6 | Confident | 147 Ų | 147 | 102.9 Ų | 102.9 | 100% | 1.028 | 56% | 0.56 | S | S | * | * | trans | -94.4 | 0 | 174 | 62 | 0 | 0 | 0 | 0 | 111.5 | Q94 S95 | Q94-S98 PolarHBondContact O-N 2.71Å; S95-S98 PolarHBondContact O-OG 2.86Å; S95-S98 VanDerWaalsContact O-OG 3.05Å |
Retrieved 98 of 98 residues in 26 ms
(Link to these results)