| 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 | 37.1 | Very low | 53.6 | Low | 240 Ų | 240 | 149.9 Ų | 149.9 | 100% | 1.182 | 78% | 0.784 | S | S | * | * | 0 | 111.8 | 0 | -156 | 165.8 | -176.5 | 0 | 0 | 105 | |||||
| 2 | E | 46 | Very low | 54.7 | Low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 22.9 | 96.2 | 178.4 | -80.2 | 175.5 | 125.7 | 0 | 0 | 119.3 | K4 | E2-K4 PolarHBondContact O-N 3.37Š| ||
| 3 | E | 47.8 | Very low | 55.3 | Low | 194 Ų | 194 | 149.5 Ų | 149.5 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 95.2 | 148.6 | -85.4 | -103.4 | 141.3 | 0 | 0 | 107.7 | ||||
| 4 | K | 51.9 | Low | 55.6 | Low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 77.1 | 178.5 | -142.8 | -179.2 | -171.3 | -178.6 | 0 | 110.5 | E2 | E2-K4 PolarHBondContact O-N 3.37Š| ||
| 5 | G | 55.3 | Low | 55.7 | Low | 49 Ų | 49 | 145.2 Ų | 145.2 | 51% | 0.505 | 76% | 0.755 | S | S | . | * | trans | -137.6 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q7 | G5-Q7 VanDerWaalsContact C-N 3.31Å; G5-Q7 PolarHBondContact O-N 3.16Å | ||
| 6 | D | 56.1 | Low | 55.8 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -80.8 | -8.3 | -161.6 | -62.4 | -13.4 | 0 | 0 | 0 | 115.1 | ||
| 7 | Q | 56.8 | Low | 55.8 | Low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -87.8 | -4.1 | -179.4 | -67.7 | -166.9 | -31.4 | 0 | 0 | 114.6 | G5 L9 | G5-Q7 VanDerWaalsContact C-N 3.31Å; G5-Q7 PolarHBondContact O-N 3.16Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.21Å |
| 8 | V | 58.7 | Low | 55.8 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -82.8 | -8 | -178 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 9 | L | 58.9 | Low | 55.7 | Low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -106.9 | 10.4 | -175.6 | -60.9 | 179.8 | 0 | 0 | 0 | 115 | Q7 S11 | Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.21Å; L9-S11 PolarHBondContact O-N 3.49Å |
| 10 | L | 59.2 | Low | 55.6 | Low | 124 Ų | 124 | 140 Ų | 140 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -82.1 | 93 | 167.9 | -86.2 | 92.2 | 0 | 0 | 0 | 109.6 | H12 | L10-H12 PolarHBondContact O-N 3.13Š| ||
| 11 | S | 61.8 | Low | 55.7 | Low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 119.2 | 163 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | L9 D13 | L9-S11 PolarHBondContact O-N 3.49Å; S11-D13 PolarHBondContact O-N 2.77Å | ||
| 12 | H | 66.4 | Low | 56.7 | Low | 173 Ų | 173 | 135.2 Ų | 135.2 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | -80.7 | 21.8 | 172.7 | -68.3 | -75.3 | 0 | 0 | 0 | 112.9 | L10 N14 | L10-H12 PolarHBondContact O-N 3.13Å; H12-N14 PolarHBondContact O-N 3.04Å | ||
| 13 | D | 62.3 | Low | 57.3 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | -71.1 | 105.9 | -175.9 | -65.3 | -35.7 | 0 | 0 | 0 | 109.6 | S11 L15 | S11-D13 PolarHBondContact O-N 2.77Å; D13-L15 VanDerWaalsContact C-N 3.32Å; D13-L15 PolarHBondContact O-N 3.33Å | ||
| 14 | N | 60.6 | Low | 57.9 | Low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | trans | -69.8 | 95.6 | 164.9 | -175.4 | 15 | 0 | 0 | 0 | 107.8 | H12 D16 | H12-N14 PolarHBondContact O-N 3.04Å; N14-D16 PolarHBondContact ND2-OD2 3.37Å; N14-D16 PolarHBondContact O-N 2.85Å | ||
| 15 | L | 55.9 | Low | 58.2 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 58% | 0.581 | 69% | 0.689 | S | S | * | * | trans | -72.8 | 71.6 | 169.6 | -67 | 177.1 | 0 | 0 | 0 | 107.9 | D13 R17 | D13-L15 VanDerWaalsContact C-N 3.32Å; D13-L15 PolarHBondContact O-N 3.33Å; L15-R17 HydrophobicContact CB-CG 4.01Å; L15-R17 PolarHBondContact O-N 3.07Å | ||
| 16 | D | 57.7 | Low | 58.6 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | trans | -65.4 | 66.9 | 165.5 | -93.7 | -33 | 0 | 0 | 0 | 108.3 | N14 A18 | N14-D16 PolarHBondContact ND2-OD2 3.37Å; N14-D16 PolarHBondContact O-N 2.85Å; D16-A18 PolarHBondContact O-N 2.85Å | ||
| 17 | R | 56.6 | Low | 59.1 | Low | 197 Ų | 197 | 127 Ų | 127 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -84.1 | 18.8 | 175.9 | -67.9 | -175.2 | -173.6 | -120.2 | 3.6 | 111.3 | L15 S19 | L15-R17 HydrophobicContact CB-CG 4.01Å; L15-R17 PolarHBondContact O-N 3.07Å; R17-S19 PolarHBondContact O-N 3.21Å | ||
| 18 | A | 56 | Low | 59.8 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -53.8 | 121.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | D16 P20 | D16-A18 PolarHBondContact O-N 2.85Å; A18-P20 VanDerWaalsContact O-N 3.17Å |
| 19 | S | 52.8 | Low | 60.4 | Low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | -44.5 | 130.2 | 170.2 | -64.2 | 0 | 0 | 0 | 0 | 107.1 | R17 D21 | R17-S19 PolarHBondContact O-N 3.21Å; S19-D21 PolarHBondContact O-N 3.49Å | ||
| 20 | P | 54.9 | Low | 60.9 | Low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 63% | 0.625 | S | S | * | * | trans | -45.1 | 134.4 | -179.1 | -27.5 | 32.8 | 0 | 0 | 0 | 108.8 | A18 L22 | A18-P20 VanDerWaalsContact O-N 3.17Å; P20-L22 PolarHBondContact O-N 2.77Å | ||
| 21 | D | 57.6 | Low | 61.5 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | trans | -50 | 111 | -179.8 | -159.1 | 6.2 | 0 | 0 | 0 | 106.9 | S19 W23 P24 | S19-D21 PolarHBondContact O-N 3.49Å; D21-W23 PolarHBondContact O-N 3.24Å; D21-P24 WeakPolarHBondContact O-CD 3.42Å | ||
| 22 | L | 57.7 | Low | 62 | Low | 151 Ų | 151 | 115.3 Ų | 115.3 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -55.3 | -27.4 | -165.3 | -89.3 | 150.6 | 0 | 0 | 0 | 110.6 | P20 | P20-L22 PolarHBondContact O-N 2.77Š|
| 23 | W | 58.3 | Low | 62.2 | Low | 93 Ų | 93 | 112.2 Ų | 112.2 | 35% | 0.352 | 61% | 0.609 | S | S | . | * | trans | -134.8 | 88.6 | 176.6 | -54.1 | 88 | 0 | 0 | 0 | 108.4 | D21 E25 I27 E90 | D21-W23 PolarHBondContact O-N 3.24Å; W23-E25 PolarHBondContact O-N 3.46Å; W23-E25 VanDerWaalsContact O-N 3.13Å; W23-I27 HydrophobicContact CD2-CD1 4.1Å; W23-I27 HydrophobicContact CE3-CD1 3.31Å; W23-I27 HydrophobicContact CZ3-CD1 3.76Å; W23-E90 HydrophobicContact CH2-CG 4.43Å | ||
| 24 | P | 60.5 | Low | 62.6 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 76% | 0.76 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -64.6 | -20.3 | -178.6 | 26.8 | -34.1 | 0 | 0 | 0 | 112.1 | D21 | D21-P24 WeakPolarHBondContact O-CD 3.42Š|
| 25 | E | 58.7 | Low | 63 | Low | 138 Ų | 138 | 109.2 Ų | 109.2 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -87.7 | 129.3 | 172.5 | -165.1 | 178.2 | 177.7 | 0 | 0 | 110 | W23 I27 | W23-E25 PolarHBondContact O-N 3.46Å; W23-E25 VanDerWaalsContact O-N 3.13Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.18Å |
| 26 | Q | 64.1 | Low | 63.7 | Low | 180 Ų | 180 | 107.3 Ų | 107.3 | 84% | 0.841 | 59% | 0.592 | S | S | * | * | trans | -68.2 | 91.9 | 172.2 | -68.9 | -153.5 | 16.7 | 0 | 0 | 110.1 | P28 | Q26-P28 WeakPolarHBondContact O-CD 3.45Š| ||
| 27 | I | 65.9 | Low | 64 | Low | 31 Ų | 31 | 107.2 Ų | 107.2 | 16% | 0.159 | 58% | 0.582 | C | S | . | * | trans | -79.3 | 119.7 | 173.5 | -60.3 | 172.6 | 0 | 0 | 0 | 108 | W23 E25 G29 V30 | W23-I27 HydrophobicContact CD2-CD1 4.1Å; W23-I27 HydrophobicContact CE3-CD1 3.31Å; W23-I27 HydrophobicContact CZ3-CD1 3.76Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.18Å; I27-G29 PolarHBondContact O-N 3.38Å; I27-G29 VanDerWaalsContact O-N 3.16Å; I27-V30 HydrophobicContact CB-CB 4.38Å; I27-V30 HydrophobicContact CB-CG2 3.61Å; I27-V30 HydrophobicContact CD1-CG2 4.47Å; I27-V30 HydrophobicContact CG2-CG2 3.82Å; I27-V30 PolarHBondContact O-N 2.97Å | ||
| 28 | P | 71 | Confident | 64.3 | Low | 113 Ų | 113 | 103.8 Ų | 103.8 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 123.3 | 178.2 | -25.6 | 34.5 | 0 | 0 | 0 | 111.2 | Q26 | Q26-P28 WeakPolarHBondContact O-CD 3.45Š|
| 29 | G | 71.6 | Confident | 64.2 | Low | 42 Ų | 42 | 106.1 Ų | 106.1 | 43% | 0.433 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99.1 | -16.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I27 E32 F33 | I27-G29 PolarHBondContact O-N 3.38Å; I27-G29 VanDerWaalsContact O-N 3.16Å; G29-E32 PolarHBondContact O-N 3.37Å; G29-F33 VanDerWaalsContact O-CB 3.28Å; G29-F33 WeakPolarHBondContact O-CB 3.45Å; G29-F33 PolarHBondContact O-N 3.46Å |
| 30 | V | 69.3 | Low | 64.4 | Low | 35 Ų | 35 | 107.9 Ų | 107.9 | 21% | 0.212 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -66.5 | -42.8 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | I27 E32 F33 L34 | I27-V30 HydrophobicContact CB-CB 4.38Å; I27-V30 HydrophobicContact CB-CG2 3.61Å; I27-V30 HydrophobicContact CD1-CG2 4.47Å; I27-V30 HydrophobicContact CG2-CG2 3.82Å; I27-V30 PolarHBondContact O-N 2.97Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.37Å; V30-F33 WeakPolarHBondContact O-CB 3.27Å; V30-F33 PolarHBondContact O-N 3Å; V30-L34 HydrophobicContact CG1-CD1 4.21Å; V30-L34 HydrophobicContact CG1-CG 4.37Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.41Å |
| 31 | T | 71 | Confident | 64.4 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.1 | -39.3 | 177.5 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | L34 T35 | T31-L34 PolarHBondContact O-N 3.47Å; T31-T35 WeakPolarHBondContact O-CB 3.41Å; T31-T35 PolarHBondContact O-N 3.02Å; T31-T35 PolarHBondContact O-OG1 2.9Å |
| 32 | E | 73.7 | Confident | 64.2 | Low | 150 Ų | 150 | 106.2 Ų | 106.2 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.9 | -40 | 175.9 | -171.8 | 173.7 | -174.2 | 0 | 0 | 111 | G29 V30 T35 S36 | G29-E32 PolarHBondContact O-N 3.37Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.37Å; E32-T35 PolarHBondContact O-N 3.3Å; E32-S36 WeakPolarHBondContact O-CB 3.39Å; E32-S36 PolarHBondContact O-N 2.89Å |
| 33 | F | 71 | Confident | 64.2 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -44.3 | 173.8 | 177.6 | -92.7 | 0 | 0 | 0 | 112.5 | G29 V30 R37 | G29-F33 VanDerWaalsContact O-CB 3.28Å; G29-F33 WeakPolarHBondContact O-CB 3.45Å; G29-F33 PolarHBondContact O-N 3.46Å; V30-F33 WeakPolarHBondContact O-CB 3.27Å; V30-F33 PolarHBondContact O-N 3Å; F33-R37 VanDerWaalsContact CE2-NE 3.28Å; F33-R37 WeakPolarHBondContact O-CB 3.43Å; F33-R37 WeakPolarHBondContact O-CG 3.28Å; F33-R37 PolarHBondContact O-N 3.38Å |
| 34 | L | 69 | Low | 64.1 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -49.5 | 175 | -70.2 | 174.6 | 0 | 0 | 0 | 110.6 | V30 T31 S36 R37 Q38 | V30-L34 HydrophobicContact CG1-CD1 4.21Å; V30-L34 HydrophobicContact CG1-CG 4.37Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.41Å; T31-L34 PolarHBondContact O-N 3.47Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 3.5Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 PolarHBondContact O-N 3.27Å; L34-Q38 PolarHBondContact O-N 2.88Å; L34-Q38 PolarHBondContact O-OE1 3.21Å; L34-Q38 VanDerWaalsContact O-OE1 3.08Å |
| 35 | T | 70.5 | Confident | 63.8 | Low | 87 Ų | 87 | 109.6 Ų | 109.6 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -41.6 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | T31 E32 Q38 | T31-T35 WeakPolarHBondContact O-CB 3.41Å; T31-T35 PolarHBondContact O-N 3.02Å; T31-T35 PolarHBondContact O-OG1 2.9Å; E32-T35 PolarHBondContact O-N 3.3Å; T35-Q38 WeakPolarHBondContact O-CB 3.44Å; T35-Q38 PolarHBondContact O-N 2.89Å |
| 36 | S | 69.9 | Low | 64 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.2 | -48.1 | 176 | 172 | 0 | 0 | 0 | 0 | 111.2 | E32 L34 Q38 N39 | E32-S36 WeakPolarHBondContact O-CB 3.39Å; E32-S36 PolarHBondContact O-N 2.89Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 3.5Å; S36-Q38 VanDerWaalsContact C-N 3.32Å; S36-Q38 PolarHBondContact O-N 3.49Å; S36-N39 PolarHBondContact O-N 3.49Å |
| 37 | R | 64.7 | Low | 64.1 | Low | 127 Ų | 127 | 100.9 Ų | 100.9 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.7 | -20 | 178.3 | -71.9 | -159.5 | -172.4 | -151.4 | 4.2 | 113.9 | F33 L34 N39 E40 I41 | F33-R37 VanDerWaalsContact CE2-NE 3.28Å; F33-R37 WeakPolarHBondContact O-CB 3.43Å; F33-R37 WeakPolarHBondContact O-CG 3.28Å; F33-R37 PolarHBondContact O-N 3.38Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 PolarHBondContact O-N 3.27Å; R37-N39 PolarHBondContact O-N 2.78Å; R37-N39 VanDerWaalsContact O-N 3.13Å; R37-E40 CarbonylContact O-C 3.53Å; R37-E40 WeakPolarHBondContact O-CA 3.37Å; R37-E40 PolarHBondContact O-N 3.21Å; R37-I41 WeakPolarHBondContact O-CG1 3.36Å; R37-I41 PolarHBondContact O-N 3.18Å |
| 38 | Q | 61.1 | Low | 64 | Low | 124 Ų | 124 | 108.1 Ų | 108.1 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.9 | -34 | 176 | -137.7 | 94.8 | 9.3 | 0 | 0 | 111.4 | L34 T35 S36 | L34-Q38 PolarHBondContact O-N 2.88Å; L34-Q38 PolarHBondContact O-OE1 3.21Å; L34-Q38 VanDerWaalsContact O-OE1 3.08Å; T35-Q38 WeakPolarHBondContact O-CB 3.44Å; T35-Q38 PolarHBondContact O-N 2.89Å; S36-Q38 VanDerWaalsContact C-N 3.32Å; S36-Q38 PolarHBondContact O-N 3.49Å |
| 39 | N | 55.6 | Low | 63.9 | Low | 128 Ų | 128 | 111 Ų | 111 | 68% | 0.684 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -25.4 | 175.4 | -66.2 | -39.1 | 0 | 0 | 0 | 113.4 | S36 R37 N42 | S36-N39 PolarHBondContact O-N 3.49Å; R37-N39 PolarHBondContact O-N 2.78Å; R37-N39 VanDerWaalsContact O-N 3.13Å; N39-N42 PolarHBondContact O-ND2 2.66Å; N39-N42 VanDerWaalsContact O-ND2 3.07Å |
| 40 | E | 55.3 | Low | 63.7 | Low | 141 Ų | 141 | 112 Ų | 112 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -20.9 | 174.4 | -66 | -172.2 | 165.1 | 0 | 0 | 112.6 | R37 N42 | R37-E40 CarbonylContact O-C 3.53Å; R37-E40 WeakPolarHBondContact O-CA 3.37Å; R37-E40 PolarHBondContact O-N 3.21Å; E40-N42 PolarHBondContact O-N 3.48Å |
| 41 | I | 55.2 | Low | 63.8 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 55% | 0.549 | 59% | 0.589 | S | S | . | * | trans | -72.1 | 59.5 | 162.1 | -51.1 | 163.6 | 0 | 0 | 0 | 107.7 | R37 L43 | R37-I41 WeakPolarHBondContact O-CG1 3.36Å; R37-I41 PolarHBondContact O-N 3.18Å; I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 HydrophobicContact CG2-CD1 4.14Å; I41-L43 PolarHBondContact O-N 2.93Å | ||
| 42 | N | 53.5 | Low | 64.2 | Low | 101 Ų | 101 | 115.9 Ų | 115.9 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | trans | -62.5 | 97.1 | 164.7 | -94.4 | -69.4 | 0 | 0 | 0 | 106.8 | N39 E40 H44 T45 | N39-N42 PolarHBondContact O-ND2 2.66Å; N39-N42 VanDerWaalsContact O-ND2 3.07Å; E40-N42 PolarHBondContact O-N 3.48Å; N42-H44 PolarHBondContact O-N 3.44Å; N42-T45 PolarHBondContact O-N 3.28Å; N42-T45 PolarHBondContact O-OG1 2.87Å | ||
| 43 | L | 58 | Low | 64.7 | Low | 158 Ų | 158 | 112.7 Ų | 112.7 | 83% | 0.827 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -3.5 | 177.7 | -137.3 | 74.7 | 0 | 0 | 0 | 113.8 | I41 | I41-L43 VanDerWaalsContact C-N 3.27Å; I41-L43 HydrophobicContact CG2-CD1 4.14Å; I41-L43 PolarHBondContact O-N 2.93Å |
| 44 | H | 56.9 | Low | 65.5 | Low | 170 Ų | 170 | 111.4 Ų | 111.4 | 79% | 0.787 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -20.5 | -177.3 | -72.9 | -63 | 0 | 0 | 0 | 114.7 | N42 P46 | N42-H44 PolarHBondContact O-N 3.44Å; H44-P46 WeakPolarHBondContact O-CD 3.39Å |
| 45 | T | 54.8 | Low | 66.6 | Low | 104 Ų | 104 | 113.4 Ų | 113.4 | 64% | 0.638 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -82.8 | 117.8 | 170 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | N42 | N42-T45 PolarHBondContact O-N 3.28Å; N42-T45 PolarHBondContact O-OG1 2.87Å |
| 46 | P | 62 | Low | 67.5 | Low | 77 Ų | 77 | 115 Ų | 115 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 135.6 | 172.5 | 22.9 | -31.6 | 0 | 0 | 0 | 107.9 | H44 K48 A50 T51 | H44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-K48 PolarHBondContact O-N 3.38Å; P46-A50 HydrophobicContact CB-CB 4.31Å; P46-T51 HydrophobicContact CB-CG2 3.86Å; P46-T51 HydrophobicContact CG-CG2 3.48Å; P46-T51 VanDerWaalsContact CG-CG2 3.48Å |
| 47 | P | 65.5 | Low | 68.5 | Low | 57 Ų | 57 | 114.3 Ų | 114.3 | 37% | 0.37 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 144.5 | 177.6 | -22.2 | 31 | 0 | 0 | 0 | 109.8 | Y49 A50 | P47-Y49 HydrophobicContact CB-CD1 3.5Å; P47-Y49 VanDerWaalsContact CB-CD1 3.5Å; P47-Y49 HydrophobicContact CB-CD2 4.01Å; P47-Y49 HydrophobicContact CB-CE1 3.09Å; P47-Y49 HydrophobicContact CB-CE2 3.62Å; P47-Y49 HydrophobicContact CB-CG 3.95Å; P47-Y49 HydrophobicContact CG-CE1 3.82Å; P47-Y49 HydrophobicContact CG-CE2 3.85Å; P47-Y49 VanDerWaalsContact CG-OH 3.27Å; P47-Y49 WeakPolarHBondContact CG-OH 3.41Å; P47-Y49 PolarHBondContact O-N 2.69Å; P47-A50 WeakPolarHBondContact O-CA 3.42Å; P47-A50 VanDerWaalsContact O-CB 3.26Å; P47-A50 WeakPolarHBondContact O-CB 3.3Å; P47-A50 PolarHBondContact O-N 3.25Å |
| 48 | K | 64.9 | Low | 69.8 | Low | 184 Ų | 184 | 113 Ų | 113 | 80% | 0.8 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -52 | -36 | -176.5 | -68.4 | -171.4 | 175.3 | -171.3 | 0 | 113.4 | P46 A50 T51 D52 | P46-K48 PolarHBondContact O-N 3.38Å; K48-A50 PolarHBondContact O-N 2.94Å; K48-A50 VanDerWaalsContact O-N 3.13Å; K48-T51 PolarHBondContact O-N 2.78Å; K48-D52 PolarHBondContact O-N 3.16Å; K48-D52 VanDerWaalsContact O-N 3.16Å |
| 49 | Y | 67.6 | Low | 71.4 | Confident | 174 Ų | 174 | 111.7 Ų | 111.7 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -16.8 | 176 | 60 | -108.6 | 0 | 0 | 0 | 114.3 | P47 | P47-Y49 HydrophobicContact CB-CD1 3.5Å; P47-Y49 VanDerWaalsContact CB-CD1 3.5Å; P47-Y49 HydrophobicContact CB-CD2 4.01Å; P47-Y49 HydrophobicContact CB-CE1 3.09Å; P47-Y49 HydrophobicContact CB-CE2 3.62Å; P47-Y49 HydrophobicContact CB-CG 3.95Å; P47-Y49 HydrophobicContact CG-CE1 3.82Å; P47-Y49 HydrophobicContact CG-CE2 3.85Å; P47-Y49 VanDerWaalsContact CG-OH 3.27Å; P47-Y49 WeakPolarHBondContact CG-OH 3.41Å; P47-Y49 PolarHBondContact O-N 2.69Å |
| 50 | A | 67.9 | Low | 73.1 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -92.4 | -19.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | P46 P47 K48 | P46-A50 HydrophobicContact CB-CB 4.31Å; P47-A50 WeakPolarHBondContact O-CA 3.42Å; P47-A50 VanDerWaalsContact O-CB 3.26Å; P47-A50 WeakPolarHBondContact O-CB 3.3Å; P47-A50 PolarHBondContact O-N 3.25Å; K48-A50 PolarHBondContact O-N 2.94Å; K48-A50 VanDerWaalsContact O-N 3.13Å |
| 51 | T | 70.8 | Confident | 74.8 | Confident | 79 Ų | 79 | 107.5 Ų | 107.5 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -111.5 | -38.2 | -176 | 53 | 0 | 0 | 0 | 0 | 114 | P46 K48 | P46-T51 HydrophobicContact CB-CG2 3.86Å; P46-T51 HydrophobicContact CG-CG2 3.48Å; P46-T51 VanDerWaalsContact CG-CG2 3.48Å; K48-T51 PolarHBondContact O-N 2.78Å |
| 52 | D | 79.9 | Confident | 76.7 | Confident | 129 Ų | 129 | 108.6 Ų | 108.6 | 69% | 0.69 | 56% | 0.556 | S | S | * | * | trans | -137.7 | 80.8 | -169.6 | -64.4 | -50.3 | 0 | 0 | 0 | 110.6 | K48 D54 | K48-D52 PolarHBondContact O-N 3.16Å; K48-D52 VanDerWaalsContact O-N 3.16Å; D52-D54 PolarHBondContact O-N 3.46Å | ||
| 53 | L | 84.7 | Confident | 78.6 | Confident | 84 Ų | 84 | 108.1 Ų | 108.1 | 44% | 0.44 | 55% | 0.554 | S | S | . | * | trans | -72 | 118 | 168.2 | -65.2 | 172.7 | 0 | 0 | 0 | 108.5 | D57 L58 I61 | L53-D57 HydrophobicContact CB-CB 4.27Å; L53-D57 HydrophobicContact CD2-CB 3.89Å; L53-L58 HydrophobicContact CB-CD2 4.37Å; L53-L58 HydrophobicContact CB-CG 4.37Å; L53-L58 HydrophobicContact CD1-CD2 4.12Å; L53-I61 HydrophobicContact CD1-CD1 4.09Å; L53-I61 HydrophobicContact CD2-CD1 4.2Å | ||
| 54 | D | 88.8 | Confident | 80.2 | Confident | 79 Ų | 79 | 105.3 Ų | 105.3 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | trans | -79.9 | -178.7 | 171.7 | 64.5 | 23.3 | 0 | 0 | 0 | 111.3 | D52 E56 D57 L58 | D52-D54 PolarHBondContact O-N 3.46Å; D54-E56 VanDerWaalsContact C-N 3.26Å; D54-E56 VanDerWaalsContact CG-OE2 3.28Å; D54-E56 PolarHBondContact O-N 2.96Å; D54-E56 WeakPolarHBondContact OD1-CB 3.42Å; D54-E56 PolarHBondContact OD1-N 3.13Å; D54-D57 PolarHBondContact N-OD2 3.07Å; D54-D57 PolarHBondContact O-N 3.44Å; D54-D57 WeakPolarHBondContact OD1-CB 3.47Å; D54-D57 PolarHBondContact OD1-N 3.35Å; D54-L58 WeakPolarHBondContact O-CG 3.48Å; D54-L58 PolarHBondContact O-N 2.95Å | ||
| 55 | K | 90.2 | Very high | 81.9 | Confident | 138 Ų | 138 | 100.4 Ų | 100.4 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.7 | -35.7 | -176.4 | -177 | 172.4 | 179.5 | -75.3 | 0 | 110.5 | L58 E59 | K55-L58 PolarHBondContact O-N 2.82Å; K55-E59 IonicContact NZ-OE1 3.29Å; K55-E59 PolarHBondContact NZ-OE1 3.4Å; K55-E59 WeakPolarHBondContact O-CG 3.46Å; K55-E59 PolarHBondContact O-N 3.42Å |
| 56 | E | 91.4 | Very high | 83.8 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | 179.6 | -62.1 | 71.7 | -165.9 | 0 | 0 | 110.7 | D54 E59 L60 | D54-E56 VanDerWaalsContact C-N 3.26Å; D54-E56 VanDerWaalsContact CG-OE2 3.28Å; D54-E56 PolarHBondContact O-N 2.96Å; D54-E56 WeakPolarHBondContact OD1-CB 3.42Å; D54-E56 PolarHBondContact OD1-N 3.13Å; E56-E59 PolarHBondContact O-N 2.8Å; E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 PolarHBondContact O-N 2.96Å |
| 57 | D | 90.8 | Very high | 85.4 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 31% | 0.305 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174 | -72.1 | -31.1 | 0 | 0 | 0 | 111.5 | L53 D54 L60 I61 | L53-D57 HydrophobicContact CB-CB 4.27Å; L53-D57 HydrophobicContact CD2-CB 3.89Å; D54-D57 PolarHBondContact N-OD2 3.07Å; D54-D57 PolarHBondContact O-N 3.44Å; D54-D57 WeakPolarHBondContact OD1-CB 3.47Å; D54-D57 PolarHBondContact OD1-N 3.35Å; D57-L60 PolarHBondContact O-N 3.08Å; D57-I61 VanDerWaalsContact O-CG1 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.15Å; D57-I61 PolarHBondContact O-N 3.07Å |
| 58 | L | 91.7 | Very high | 86.8 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.5 | -71.1 | 175.1 | 0 | 0 | 0 | 112.4 | L53 D54 K55 L60 I61 H62 | L53-L58 HydrophobicContact CB-CD2 4.37Å; L53-L58 HydrophobicContact CB-CG 4.37Å; L53-L58 HydrophobicContact CD1-CD2 4.12Å; D54-L58 WeakPolarHBondContact O-CG 3.48Å; D54-L58 PolarHBondContact O-N 2.95Å; K55-L58 PolarHBondContact O-N 2.82Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-I61 PolarHBondContact O-N 3.26Å; L58-H62 WeakPolarHBondContact O-CB 3.3Å; L58-H62 PolarHBondContact O-N 2.97Å |
| 59 | E | 94.1 | Very high | 88.3 | Confident | 97 Ų | 97 | 95 Ų | 95 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.2 | -77.1 | 176 | -169 | 0 | 0 | 110.8 | K55 E56 H62 D63 | K55-E59 IonicContact NZ-OE1 3.29Å; K55-E59 PolarHBondContact NZ-OE1 3.4Å; K55-E59 WeakPolarHBondContact O-CG 3.46Å; K55-E59 PolarHBondContact O-N 3.42Å; E56-E59 PolarHBondContact O-N 2.8Å; E59-H62 PolarHBondContact O-N 3.35Å; E59-D63 WeakPolarHBondContact O-CB 3.4Å; E59-D63 VanDerWaalsContact O-CG 3.32Å; E59-D63 PolarHBondContact O-N 2.86Å |
| 60 | L | 92.2 | Very high | 89.6 | Confident | 85 Ų | 85 | 92.2 Ų | 92.2 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.4 | -171.9 | 61.8 | 0 | 0 | 0 | 112.5 | E56 D57 L58 H62 D63 F64 | E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 PolarHBondContact O-N 2.96Å; D57-L60 PolarHBondContact O-N 3.08Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L60-H62 VanDerWaalsContact C-N 3.35Å; L60-D63 PolarHBondContact O-N 3.04Å; L60-F64 HydrophobicContact CD1-CD2 4.08Å; L60-F64 HydrophobicContact CD1-CE1 4.23Å; L60-F64 HydrophobicContact CD1-CE2 3.48Å; L60-F64 VanDerWaalsContact CD1-CE2 3.48Å; L60-F64 HydrophobicContact CD1-CZ 3.56Å; L60-F64 HydrophobicContact CD2-CE2 3.84Å; L60-F64 HydrophobicContact CD2-CZ 4.44Å; L60-F64 HydrophobicContact CG-CD2 3.84Å; L60-F64 HydrophobicContact CG-CE2 3.41Å; L60-F64 VanDerWaalsContact CG-CE2 3.41Å; L60-F64 HydrophobicContact CG-CZ 4.04Å; L60-F64 VanDerWaalsContact O-CD2 3.3Å; L60-F64 WeakPolarHBondContact O-CD2 3.35Å; L60-F64 WeakPolarHBondContact O-CG 3.48Å; L60-F64 PolarHBondContact O-N 2.93Å |
| 61 | I | 91.3 | Very high | 91 | Very high | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.9 | -71.1 | 164.8 | 0 | 0 | 0 | 110.4 | L53 D57 L58 F64 G65 | L53-I61 HydrophobicContact CD1-CD1 4.09Å; L53-I61 HydrophobicContact CD2-CD1 4.2Å; D57-I61 VanDerWaalsContact O-CG1 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.15Å; D57-I61 PolarHBondContact O-N 3.07Å; L58-I61 PolarHBondContact O-N 3.26Å; I61-F64 PolarHBondContact O-N 2.75Å; I61-G65 PolarHBondContact O-N 3.28Å |
| 62 | H | 93.3 | Very high | 92.2 | Very high | 131 Ų | 131 | 93.6 Ų | 93.6 | 61% | 0.606 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 177.1 | 172 | -90.3 | 0 | 0 | 0 | 111.3 | L58 E59 L60 F64 G65 S66 | L58-H62 WeakPolarHBondContact O-CB 3.3Å; L58-H62 PolarHBondContact O-N 2.97Å; E59-H62 PolarHBondContact O-N 3.35Å; L60-H62 VanDerWaalsContact C-N 3.35Å; H62-F64 PolarHBondContact O-N 2.68Å; H62-G65 PolarHBondContact O-N 2.88Å; H62-S66 PolarHBondContact O-N 2.98Å |
| 63 | D | 93.6 | Very high | 92.9 | Very high | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 179.5 | -77.2 | -0.1 | 0 | 0 | 0 | 111.3 | E59 L60 G65 S66 | E59-D63 WeakPolarHBondContact O-CB 3.4Å; E59-D63 VanDerWaalsContact O-CG 3.32Å; E59-D63 PolarHBondContact O-N 2.86Å; L60-D63 PolarHBondContact O-N 3.04Å; D63-G65 PolarHBondContact O-N 2.96Å; D63-S66 PolarHBondContact O-N 3.23Å; D63-S66 PolarHBondContact O-OG 3.41Å |
| 64 | F | 92.5 | Very high | 93.5 | Very high | 98 Ų | 98 | 91.2 Ų | 91.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 175.7 | -70.2 | -38 | 0 | 0 | 0 | 113.4 | L60 I61 H62 S66 L67 | L60-F64 HydrophobicContact CD1-CD2 4.08Å; L60-F64 HydrophobicContact CD1-CE1 4.23Å; L60-F64 HydrophobicContact CD1-CE2 3.48Å; L60-F64 VanDerWaalsContact CD1-CE2 3.48Å; L60-F64 HydrophobicContact CD1-CZ 3.56Å; L60-F64 HydrophobicContact CD2-CE2 3.84Å; L60-F64 HydrophobicContact CD2-CZ 4.44Å; L60-F64 HydrophobicContact CG-CD2 3.84Å; L60-F64 HydrophobicContact CG-CE2 3.41Å; L60-F64 VanDerWaalsContact CG-CE2 3.41Å; L60-F64 HydrophobicContact CG-CZ 4.04Å; L60-F64 VanDerWaalsContact O-CD2 3.3Å; L60-F64 WeakPolarHBondContact O-CD2 3.35Å; L60-F64 WeakPolarHBondContact O-CG 3.48Å; L60-F64 PolarHBondContact O-N 2.93Å; I61-F64 PolarHBondContact O-N 2.75Å; H62-F64 PolarHBondContact O-N 2.68Å; F64-S66 PolarHBondContact O-N 3.4Å; F64-L67 HydrophobicContact CD1-CD1 3.97Å; F64-L67 WeakPolarHBondContact O-CB 3.36Å; F64-L67 PolarHBondContact O-N 3.35Å |
| 65 | G | 92.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 93.2 Ų | 93.2 | 69% | 0.691 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -25.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I61 H62 D63 L67 | I61-G65 PolarHBondContact O-N 3.28Å; H62-G65 PolarHBondContact O-N 2.88Å; D63-G65 PolarHBondContact O-N 2.96Å; G65-L67 VanDerWaalsContact C-N 3.34Å |
| 66 | S | 95.2 | Very high | 94 | Very high | 85 Ų | 85 | 89.8 Ų | 89.8 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -78.3 | -16.2 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | H62 D63 F64 | H62-S66 PolarHBondContact O-N 2.98Å; D63-S66 PolarHBondContact O-N 3.23Å; D63-S66 PolarHBondContact O-OG 3.41Å; F64-S66 PolarHBondContact O-N 3.4Å |
| 67 | L | 94.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 89.2 Ų | 89.2 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -75.3 | 142.5 | -178.3 | -62.3 | 179 | 0 | 0 | 0 | 111.5 | F64 G65 Q71 K75 | F64-L67 HydrophobicContact CD1-CD1 3.97Å; F64-L67 WeakPolarHBondContact O-CB 3.36Å; F64-L67 PolarHBondContact O-N 3.35Å; G65-L67 VanDerWaalsContact C-N 3.34Å; L67-Q71 HydrophobicContact CB-CB 4.15Å; L67-Q71 HydrophobicContact CD2-CB 4.15Å; L67-K75 HydrophobicContact CD1-CG 4.4Å |
| 68 | S | 96.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | trans | -68.5 | 158.7 | 164.4 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | Q70 Q71 L72 | S68-Q70 PolarHBondContact O-N 3.25Å; S68-Q70 VanDerWaalsContact O-N 3.16Å; S68-Q71 PolarHBondContact O-N 2.94Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CG 3.4Å; S68-Q71 PolarHBondContact OG-N 3.44Å; S68-Q71 PolarHBondContact OG-OE1 3.42Å; S68-L72 PolarHBondContact O-N 3.2Å | ||
| 69 | T | 95 | Very high | 94.6 | Very high | 116 Ų | 116 | 92.4 Ų | 92.4 | 71% | 0.712 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -52 | -40.2 | 176.5 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | L72 M73 | T69-L72 PolarHBondContact O-N 3.1Å; T69-M73 VanDerWaalsContact O-CG 3.3Å; T69-M73 WeakPolarHBondContact O-CG 3.28Å; T69-M73 PolarHBondContact O-N 2.99Å |
| 70 | Q | 96.2 | Very high | 94.7 | Very high | 114 Ų | 114 | 93.6 Ų | 93.6 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 179.3 | -177 | 56.5 | 45.5 | 0 | 0 | 111.7 | S68 L72 M73 D74 | S68-Q70 PolarHBondContact O-N 3.25Å; S68-Q70 VanDerWaalsContact O-N 3.16Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 2.85Å; Q70-M73 PolarHBondContact O-N 3.45Å; Q70-D74 PolarHBondContact NE2-OD1 3.35Å; Q70-D74 VanDerWaalsContact NE2-OD1 3.1Å; Q70-D74 PolarHBondContact NE2-OD2 3.22Å; Q70-D74 PolarHBondContact O-N 2.95Å |
| 71 | Q | 96.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 94.2 Ų | 94.2 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 177.4 | -70.3 | 167.3 | -60.7 | 0 | 0 | 111.8 | L67 S68 D74 K75 | L67-Q71 HydrophobicContact CB-CB 4.15Å; L67-Q71 HydrophobicContact CD2-CB 4.15Å; S68-Q71 PolarHBondContact O-N 2.94Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CG 3.4Å; S68-Q71 PolarHBondContact OG-N 3.44Å; S68-Q71 PolarHBondContact OG-OE1 3.42Å; Q71-D74 PolarHBondContact O-N 2.93Å; Q71-K75 PolarHBondContact O-N 2.88Å |
| 72 | L | 95.3 | Very high | 95 | Very high | 72 Ų | 72 | 93.4 Ų | 93.4 | 38% | 0.377 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.3 | -178.2 | 62.2 | 0 | 0 | 0 | 111.3 | S68 T69 Q70 D74 K75 I76 | S68-L72 PolarHBondContact O-N 3.2Å; T69-L72 PolarHBondContact O-N 3.1Å; Q70-L72 VanDerWaalsContact C-N 3.3Å; Q70-L72 PolarHBondContact O-N 2.85Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.47Å; L72-K75 WeakPolarHBondContact O-CB 3.36Å; L72-K75 PolarHBondContact O-N 3.41Å; L72-I76 HydrophobicContact CG-CD1 4.18Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.23Å |
| 73 | M | 95.4 | Very high | 95.1 | Very high | 86 Ų | 86 | 90.1 Ų | 90.1 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.9 | -72.3 | -56.4 | -60.1 | 0 | 0 | 112.5 | T69 Q70 I76 K77 | T69-M73 VanDerWaalsContact O-CG 3.3Å; T69-M73 WeakPolarHBondContact O-CG 3.28Å; T69-M73 PolarHBondContact O-N 2.99Å; Q70-M73 PolarHBondContact O-N 3.45Å; M73-I76 PolarHBondContact O-N 2.87Å; M73-I76 HydrophobicContact SD-CD1 4.22Å; M73-K77 WeakPolarHBondContact O-CG 3.42Å; M73-K77 PolarHBondContact O-N 3.3Å |
| 74 | D | 97 | Very high | 95.2 | Very high | 77 Ų | 77 | 93.3 Ų | 93.3 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 176.7 | -66.5 | -27.4 | 0 | 0 | 0 | 111.7 | Q70 Q71 L72 K77 H78 | Q70-D74 PolarHBondContact NE2-OD1 3.35Å; Q70-D74 VanDerWaalsContact NE2-OD1 3.1Å; Q70-D74 PolarHBondContact NE2-OD2 3.22Å; Q70-D74 PolarHBondContact O-N 2.95Å; Q71-D74 PolarHBondContact O-N 2.93Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.47Å; D74-K77 PolarHBondContact O-N 3.5Å; D74-H78 WeakPolarHBondContact O-CB 3.5Å; D74-H78 PolarHBondContact O-N 2.94Å |
| 75 | K | 94.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 94.2 Ų | 94.2 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 171.1 | -83.7 | -71.3 | -174.2 | 177.9 | 0 | 112.5 | L67 Q71 L72 H78 L79 | L67-K75 HydrophobicContact CD1-CG 4.4Å; Q71-K75 PolarHBondContact O-N 2.88Å; L72-K75 WeakPolarHBondContact O-CB 3.36Å; L72-K75 PolarHBondContact O-N 3.41Å; K75-H78 PolarHBondContact O-N 2.83Å; K75-L79 PolarHBondContact O-N 3.24Å |
| 76 | I | 94.5 | Very high | 95.5 | Very high | 67 Ų | 67 | 94.5 Ų | 94.5 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.7 | -69.8 | 166.1 | 0 | 0 | 0 | 110.5 | L72 M73 H78 L79 Q80 | L72-I76 HydrophobicContact CG-CD1 4.18Å; L72-I76 WeakPolarHBondContact O-CG1 3.41Å; L72-I76 PolarHBondContact O-N 3.23Å; M73-I76 PolarHBondContact O-N 2.87Å; M73-I76 HydrophobicContact SD-CD1 4.22Å; I76-H78 VanDerWaalsContact C-N 3.33Å; I76-H78 PolarHBondContact O-N 3.39Å; I76-L79 PolarHBondContact O-N 3.49Å; I76-Q80 WeakPolarHBondContact O-CG 3.42Å; I76-Q80 PolarHBondContact O-N 3.31Å |
| 77 | K | 94.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 92 Ų | 92 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.9 | -73.2 | 174.4 | -177.8 | 172.2 | 0 | 112.1 | M73 D74 L79 Q80 N81 | M73-K77 WeakPolarHBondContact O-CG 3.42Å; M73-K77 PolarHBondContact O-N 3.3Å; D74-K77 PolarHBondContact O-N 3.5Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 2.91Å; K77-Q80 PolarHBondContact O-N 2.98Å; K77-N81 VanDerWaalsContact O-CG 3.28Å; K77-N81 PolarHBondContact O-N 2.92Å; K77-N81 PolarHBondContact O-ND2 3.27Å |
| 78 | H | 95.8 | Very high | 95.3 | Very high | 113 Ų | 113 | 94 Ų | 94 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.3 | 176.7 | 70.2 | 0 | 0 | 0 | 111.7 | D74 K75 I76 Q80 N81 L82 | D74-H78 WeakPolarHBondContact O-CB 3.5Å; D74-H78 PolarHBondContact O-N 2.94Å; K75-H78 PolarHBondContact O-N 2.83Å; I76-H78 VanDerWaalsContact C-N 3.33Å; I76-H78 PolarHBondContact O-N 3.39Å; H78-Q80 PolarHBondContact O-N 3.04Å; H78-N81 PolarHBondContact O-N 3.16Å; H78-L82 WeakPolarHBondContact O-CB 3.36Å; H78-L82 PolarHBondContact O-N 3.48Å |
| 79 | L | 96.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 97.5 Ų | 97.5 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 176.8 | -177.4 | 61.7 | 0 | 0 | 0 | 112 | K75 I76 K77 N81 L82 A83 | K75-L79 PolarHBondContact O-N 3.24Å; I76-L79 PolarHBondContact O-N 3.49Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 2.91Å; L79-N81 PolarHBondContact O-N 2.93Å; L79-L82 PolarHBondContact O-N 3.35Å; L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 3.39Å |
| 80 | Q | 94.3 | Very high | 95 | Very high | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 174.6 | -72.2 | 172.2 | 5 | 0 | 0 | 111.8 | I76 K77 H78 L82 A83 Y84 | I76-Q80 WeakPolarHBondContact O-CG 3.42Å; I76-Q80 PolarHBondContact O-N 3.31Å; K77-Q80 PolarHBondContact O-N 2.98Å; H78-Q80 PolarHBondContact O-N 3.04Å; Q80-L82 VanDerWaalsContact C-N 3.35Å; Q80-L82 PolarHBondContact O-N 2.82Å; Q80-A83 PolarHBondContact O-N 2.9Å; Q80-Y84 WeakPolarHBondContact O-CB 3.49Å; Q80-Y84 PolarHBondContact O-N 3.41Å |
| 81 | N | 95.1 | Very high | 94.7 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.2 | -70.7 | -24.9 | 0 | 0 | 0 | 111.8 | K77 H78 L79 Y84 Q85 | K77-N81 VanDerWaalsContact O-CG 3.28Å; K77-N81 PolarHBondContact O-N 2.92Å; K77-N81 PolarHBondContact O-ND2 3.27Å; H78-N81 PolarHBondContact O-N 3.16Å; L79-N81 PolarHBondContact O-N 2.93Å; N81-Y84 PolarHBondContact O-N 3.13Å; N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-N 3.16Å |
| 82 | L | 96.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 95.6 Ų | 95.6 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 176.5 | -179.9 | 63.7 | 0 | 0 | 0 | 111.2 | H78 L79 Q80 Y84 Q85 V86 | H78-L82 WeakPolarHBondContact O-CB 3.36Å; H78-L82 PolarHBondContact O-N 3.48Å; L79-L82 PolarHBondContact O-N 3.35Å; Q80-L82 VanDerWaalsContact C-N 3.35Å; Q80-L82 PolarHBondContact O-N 2.82Å; L82-Y84 VanDerWaalsContact C-N 3.26Å; L82-Y84 PolarHBondContact O-N 3.21Å; L82-Q85 PolarHBondContact O-N 2.98Å; L82-Q85 VanDerWaalsContact O-N 3.16Å; L82-V86 HydrophobicContact CD1-CG2 4.22Å; L82-V86 HydrophobicContact CG-CG2 4.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.46Å; L82-V86 PolarHBondContact O-N 3.11Å |
| 83 | A | 95.5 | Very high | 94.3 | Very high | 63 Ų | 63 | 96.7 Ų | 96.7 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L79 Q80 G87 | L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 3.39Å; Q80-A83 PolarHBondContact O-N 2.9Å; A83-G87 PolarHBondContact O-N 2.95Å |
| 84 | Y | 94.3 | Very high | 94.1 | Very high | 158 Ų | 158 | 95.7 Ų | 95.7 | 62% | 0.62 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 174.5 | -179.9 | -103.3 | 0 | 0 | 0 | 112.4 | Q80 N81 L82 G87 L88 | Q80-Y84 WeakPolarHBondContact O-CB 3.49Å; Q80-Y84 PolarHBondContact O-N 3.41Å; N81-Y84 PolarHBondContact O-N 3.13Å; L82-Y84 VanDerWaalsContact C-N 3.26Å; L82-Y84 PolarHBondContact O-N 3.21Å; Y84-G87 PolarHBondContact O-N 2.84Å; Y84-L88 HydrophobicContact CD1-CD1 4.08Å; Y84-L88 HydrophobicContact CD1-CG 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 3.48Å; Y84-L88 VanDerWaalsContact CE1-CD1 3.48Å; Y84-L88 HydrophobicContact CE1-CG 4.1Å; Y84-L88 HydrophobicContact CE2-CD2 4.47Å; Y84-L88 WeakPolarHBondContact O-CG 3.4Å; Y84-L88 PolarHBondContact O-N 3.27Å |
| 85 | Q | 95.5 | Very high | 93.7 | Very high | 116 Ų | 116 | 95.1 Ų | 95.1 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.7 | -75.1 | 178.2 | -17.4 | 0 | 0 | 112 | N81 L82 G87 L88 E89 | N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-N 3.16Å; L82-Q85 PolarHBondContact O-N 2.98Å; L82-Q85 VanDerWaalsContact O-N 3.16Å; Q85-G87 VanDerWaalsContact C-N 3.31Å; Q85-G87 PolarHBondContact O-N 3.34Å; Q85-L88 WeakPolarHBondContact O-CB 3.19Å; Q85-L88 PolarHBondContact O-N 3.5Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; Q85-E89 PolarHBondContact O-N 3.39Å |
| 86 | V | 96.3 | Very high | 93.5 | Very high | 74 Ų | 74 | 96.1 Ų | 96.1 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.8 | 173 | 0 | 0 | 0 | 0 | 110.7 | L82 L88 E89 E90 | L82-V86 HydrophobicContact CD1-CG2 4.22Å; L82-V86 HydrophobicContact CG-CG2 4.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.46Å; L82-V86 PolarHBondContact O-N 3.11Å; V86-L88 VanDerWaalsContact C-N 3.32Å; V86-L88 PolarHBondContact O-N 2.95Å; V86-E89 PolarHBondContact O-N 3.02Å; V86-E90 WeakPolarHBondContact O-CB 3.37Å; V86-E90 PolarHBondContact O-N 3.25Å |
| 87 | G | 92.7 | Very high | 93.3 | Very high | 32 Ų | 32 | 93.1 Ų | 93.1 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A83 Y84 Q85 A91 | A83-G87 PolarHBondContact O-N 2.95Å; Y84-G87 PolarHBondContact O-N 2.84Å; Q85-G87 VanDerWaalsContact C-N 3.31Å; Q85-G87 PolarHBondContact O-N 3.34Å; G87-A91 WeakPolarHBondContact O-CB 3.4Å; G87-A91 PolarHBondContact O-N 2.91Å |
| 88 | L | 92.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 93.3 Ų | 93.3 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 174.2 | -67.7 | -179.3 | 0 | 0 | 0 | 112.4 | Y84 Q85 V86 A91 K92 | Y84-L88 HydrophobicContact CD1-CD1 4.08Å; Y84-L88 HydrophobicContact CD1-CG 4.49Å; Y84-L88 HydrophobicContact CE1-CD1 3.48Å; Y84-L88 VanDerWaalsContact CE1-CD1 3.48Å; Y84-L88 HydrophobicContact CE1-CG 4.1Å; Y84-L88 HydrophobicContact CE2-CD2 4.47Å; Y84-L88 WeakPolarHBondContact O-CG 3.4Å; Y84-L88 PolarHBondContact O-N 3.27Å; Q85-L88 WeakPolarHBondContact O-CB 3.19Å; Q85-L88 PolarHBondContact O-N 3.5Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; V86-L88 VanDerWaalsContact C-N 3.32Å; V86-L88 PolarHBondContact O-N 2.95Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-K92 PolarHBondContact O-N 3.47Å |
| 89 | E | 93.2 | Very high | 92.8 | Very high | 130 Ų | 130 | 96.3 Ų | 96.3 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 176.6 | -70.8 | -177.4 | 171.1 | 0 | 0 | 111.5 | Q85 V86 K92 E93 | Q85-E89 PolarHBondContact O-N 3.39Å; V86-E89 PolarHBondContact O-N 3.02Å; E89-K92 WeakPolarHBondContact O-CB 3.38Å; E89-K92 PolarHBondContact O-N 3.01Å; E89-E93 PolarHBondContact O-N 3.16Å |
| 90 | E | 92.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 96 Ų | 96 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 174.2 | -177.2 | 177.6 | -158.9 | 0 | 0 | 110.8 | W23 V86 K92 E93 M94 | W23-E90 HydrophobicContact CH2-CG 4.43Å; V86-E90 WeakPolarHBondContact O-CB 3.37Å; V86-E90 PolarHBondContact O-N 3.25Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.24Å; E90-E93 PolarHBondContact O-N 2.98Å; E90-M94 HydrophobicContact CG-CG 4.15Å; E90-M94 VanDerWaalsContact O-CB 3.32Å; E90-M94 WeakPolarHBondContact O-CB 3.34Å; E90-M94 WeakPolarHBondContact O-CG 3.5Å; E90-M94 PolarHBondContact O-N 2.76Å |
| 91 | A | 89.8 | Confident | 92.2 | Very high | 47 Ų | 47 | 96.5 Ų | 96.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G87 L88 T95 | G87-A91 WeakPolarHBondContact O-CB 3.4Å; G87-A91 PolarHBondContact O-N 2.91Å; L88-A91 PolarHBondContact O-N 3.43Å; A91-T95 WeakPolarHBondContact O-CB 3.47Å; A91-T95 PolarHBondContact O-N 3.18Å; A91-T95 PolarHBondContact O-OG1 3.39Å |
| 92 | K | 91.6 | Very high | 91.8 | Very high | 151 Ų | 151 | 97.7 Ų | 97.7 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -48.2 | 175.2 | -179.5 | -175.3 | 174.3 | -173.8 | 0 | 111.6 | L88 E89 E90 M94 T95 R96 | L88-K92 PolarHBondContact O-N 3.47Å; E89-K92 WeakPolarHBondContact O-CB 3.38Å; E89-K92 PolarHBondContact O-N 3.01Å; E90-K92 VanDerWaalsContact C-N 3.27Å; E90-K92 PolarHBondContact O-N 3.24Å; K92-M94 VanDerWaalsContact C-N 3.34Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.28Å; K92-R96 PolarHBondContact O-N 2.85Å |
| 93 | E | 91.4 | Very high | 91 | Very high | 96 Ų | 96 | 98.1 Ų | 98.1 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 178.9 | -75.6 | -58.6 | 131.8 | 0 | 0 | 111.8 | E89 E90 T95 R96 G97 | E89-E93 PolarHBondContact O-N 3.16Å; E90-E93 PolarHBondContact O-N 2.98Å; E93-T95 VanDerWaalsContact C-N 3.34Å; E93-T95 PolarHBondContact O-N 3.06Å; E93-R96 WeakPolarHBondContact O-CB 3.32Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-NH1 3.42Å; E93-R96 PolarHBondContact OE1-NH1 3.42Å; E93-R96 IonicContact OE2-NH1 2.66Å; E93-R96 PolarHBondContact OE2-NH1 3.29Å; E93-G97 PolarHBondContact O-N 3.33Å |
| 94 | M | 90.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 171.4 | -73.4 | -62 | -74.2 | 0 | 0 | 111.4 | E90 K92 G97 K98 L103 | E90-M94 HydrophobicContact CG-CG 4.15Å; E90-M94 VanDerWaalsContact O-CB 3.32Å; E90-M94 WeakPolarHBondContact O-CB 3.34Å; E90-M94 WeakPolarHBondContact O-CG 3.5Å; E90-M94 PolarHBondContact O-N 2.76Å; K92-M94 VanDerWaalsContact C-N 3.34Å; M94-G97 PolarHBondContact O-N 3.29Å; M94-K98 WeakPolarHBondContact O-CG 3.32Å; M94-K98 PolarHBondContact O-N 2.78Å; M94-L103 HydrophobicContact CE-CD1 3.92Å; M94-L103 VanDerWaalsContact O-CD1 3.32Å; M94-L103 WeakPolarHBondContact O-CD1 3.17Å; M94-L103 HydrophobicContact SD-CD1 3.83Å |
| 95 | T | 89.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 98.9 Ų | 98.9 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.3 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | A91 K92 E93 G97 K98 F99 | A91-T95 WeakPolarHBondContact O-CB 3.47Å; A91-T95 PolarHBondContact O-N 3.18Å; A91-T95 PolarHBondContact O-OG1 3.39Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.28Å; E93-T95 VanDerWaalsContact C-N 3.34Å; E93-T95 PolarHBondContact O-N 3.06Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 3.14Å; T95-K98 WeakPolarHBondContact O-CB 3.42Å; T95-K98 PolarHBondContact O-N 3.13Å; T95-F99 HydrophobicContact CG2-CD2 3.86Å; T95-F99 HydrophobicContact CG2-CE2 3.47Å; T95-F99 VanDerWaalsContact CG2-CE2 3.47Å; T95-F99 WeakPolarHBondContact O-CD2 3.44Å; T95-F99 PolarHBondContact O-N 3.04Å |
| 96 | R | 91.6 | Very high | 86 | Confident | 141 Ų | 141 | 108.4 Ų | 108.4 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.8 | -177.1 | -176.3 | 175.2 | -171.7 | -1.5 | 111.8 | K92 E93 K98 F99 L100 | K92-R96 PolarHBondContact O-N 2.85Å; E93-R96 WeakPolarHBondContact O-CB 3.32Å; E93-R96 PolarHBondContact O-N 2.95Å; E93-R96 IonicContact OE1-NH1 3.42Å; E93-R96 PolarHBondContact OE1-NH1 3.42Å; E93-R96 IonicContact OE2-NH1 2.66Å; E93-R96 PolarHBondContact OE2-NH1 3.29Å; R96-K98 VanDerWaalsContact C-N 3.31Å; R96-K98 PolarHBondContact O-N 3.43Å; R96-F99 PolarHBondContact O-N 3.45Å; R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 WeakPolarHBondContact O-CG 3.41Å; R96-L100 PolarHBondContact O-N 3.18Å |
| 97 | G | 90.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 110.1 Ų | 110.1 | 4% | 0.041 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -62 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E93 M94 T95 N101 I102 | E93-G97 PolarHBondContact O-N 3.33Å; M94-G97 PolarHBondContact O-N 3.29Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 3.14Å; G97-N101 PolarHBondContact O-N 3.4Å; G97-I102 WeakPolarHBondContact O-CG1 3.44Å; G97-I102 PolarHBondContact O-N 3.46Å; G97-I102 VanDerWaalsContact O-N 3.13Å |
| 98 | K | 89.4 | Confident | 85.1 | Confident | 110 Ų | 110 | 114.2 Ų | 114.2 | 48% | 0.478 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 171.8 | -71.7 | 172.2 | -175.1 | 176.8 | 0 | 111.4 | M94 T95 R96 L100 N101 L103 | M94-K98 WeakPolarHBondContact O-CG 3.32Å; M94-K98 PolarHBondContact O-N 2.78Å; T95-K98 WeakPolarHBondContact O-CB 3.42Å; T95-K98 PolarHBondContact O-N 3.13Å; R96-K98 VanDerWaalsContact C-N 3.31Å; R96-K98 PolarHBondContact O-N 3.43Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 2.98Å; K98-N101 PolarHBondContact O-N 3.43Å; K98-L103 HydrophobicContact CG-CD1 4.26Å |
| 99 | F | 89.8 | Confident | 84.7 | Confident | 176 Ų | 176 | 115.3 Ų | 115.3 | 77% | 0.772 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -35.9 | 178.5 | -77.9 | -61.9 | 0 | 0 | 0 | 113.5 | T95 R96 N101 | T95-F99 HydrophobicContact CG2-CD2 3.86Å; T95-F99 HydrophobicContact CG2-CE2 3.47Å; T95-F99 VanDerWaalsContact CG2-CE2 3.47Å; T95-F99 WeakPolarHBondContact O-CD2 3.44Å; T95-F99 PolarHBondContact O-N 3.04Å; R96-F99 PolarHBondContact O-N 3.45Å; F99-N101 PolarHBondContact O-N 3.24Å |
| 100 | L | 93.2 | Very high | 84.2 | Confident | 105 Ų | 105 | 114.5 Ų | 114.5 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.2 | 176.4 | -65.5 | 175.2 | 0 | 0 | 0 | 113 | R96 K98 I102 | R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 WeakPolarHBondContact O-CG 3.41Å; R96-L100 PolarHBondContact O-N 3.18Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 2.98Å; L100-I102 HydrophobicContact CB-CG1 4.2Å; L100-I102 HydrophobicContact CB-CG2 4.11Å; L100-I102 PolarHBondContact O-N 3.22Å; L100-I102 VanDerWaalsContact O-N 3.14Å |
| 101 | N | 85.9 | Confident | 83.6 | Confident | 131 Ų | 131 | 115.9 Ų | 115.9 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52 | 31.7 | -176.8 | -164.1 | 36.4 | 0 | 0 | 0 | 113.6 | G97 K98 F99 | G97-N101 PolarHBondContact O-N 3.4Å; K98-N101 PolarHBondContact O-N 3.43Å; F99-N101 PolarHBondContact O-N 3.24Å |
| 102 | I | 87.7 | Confident | 83.2 | Confident | 125 Ų | 125 | 120.5 Ų | 120.5 | 64% | 0.641 | 56% | 0.564 | S | S | * | * | trans | -92.3 | -16.9 | 178 | 58.9 | 171.9 | 0 | 0 | 0 | 112.3 | G97 L100 G104 | G97-I102 WeakPolarHBondContact O-CG1 3.44Å; G97-I102 PolarHBondContact O-N 3.46Å; G97-I102 VanDerWaalsContact O-N 3.13Å; L100-I102 HydrophobicContact CB-CG1 4.2Å; L100-I102 HydrophobicContact CB-CG2 4.11Å; L100-I102 PolarHBondContact O-N 3.22Å; L100-I102 VanDerWaalsContact O-N 3.14Å; I102-G104 PolarHBondContact O-N 2.92Å | ||
| 103 | L | 78.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 118.3 Ų | 118.3 | 45% | 0.445 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -88.4 | 20.6 | 173.4 | -57.9 | 178.9 | 0 | 0 | 0 | 112 | M94 K98 | M94-L103 HydrophobicContact CE-CD1 3.92Å; M94-L103 VanDerWaalsContact O-CD1 3.32Å; M94-L103 WeakPolarHBondContact O-CD1 3.17Å; M94-L103 HydrophobicContact SD-CD1 3.83Å; K98-L103 HydrophobicContact CG-CD1 4.26Å |
| 104 | G | 66.4 | Low | 81.9 | Confident | 42 Ų | 42 | 120 Ų | 120 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | trans | -53.6 | 142.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | I102 R106 | I102-G104 PolarHBondContact O-N 2.92Å; G104-R106 PolarHBondContact O-N 3.05Å; G104-R106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | K | 63.9 | Low | 81.3 | Confident | 196 Ų | 196 | 124.7 Ų | 124.7 | 85% | 0.852 | 59% | 0.587 | S | S | * | * | trans | -55.5 | 115.8 | 176 | -62.4 | -176.5 | 179.9 | -172.8 | 0 | 108.8 | ||||
| 106 | R | 49.2 | Very low | 80.5 | Confident | 315 Ų | 315 | 130 Ų | 130 | 100% | 1.189 | 60% | 0.603 | S | S | * | * | trans | -70.9 | 0 | 156.3 | -73.9 | -176.1 | 84.6 | 102.7 | -3.4 | 109.3 | G104 | G104-R106 PolarHBondContact O-N 3.05Å; G104-R106 VanDerWaalsContact O-N 3.11Å |
Retrieved 106 of 106 residues in 22.3 ms
(Link to these results)