| 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 | 36.6 | Very low | 45.4 | Very low | 237 Ų | 237 | 152.4 Ų | 152.4 | 100% | 1.167 | 71% | 0.706 | S | S | * | * | 0 | 92.9 | 0 | -69.3 | -177.3 | -158.8 | 0 | 0 | 108.3 | |||||
| 2 | E | 43.9 | Very low | 45.4 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -142.5 | 45.1 | 176.6 | -69.7 | -166.4 | 171.9 | 0 | 0 | 112 | H4 | E2-H4 PolarHBondContact O-N 2.78Š| ||
| 3 | F | 43.6 | Very low | 45.3 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -7.3 | 170.8 | -84.8 | -86.6 | 0 | 0 | 0 | 113.3 | ||
| 4 | H | 43.2 | Very low | 45.6 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.1 | -22.7 | -179.4 | -81 | -85.3 | 0 | 0 | 0 | 114.5 | E2 | E2-H4 PolarHBondContact O-N 2.78Å |
| 5 | S | 52 | Low | 45.8 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 58% | 0.58 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.7 | -35.3 | -174.8 | -169.8 | 0 | 0 | 0 | 0 | 113 | N9 | S5-N9 PolarHBondContact O-N 2.81Å |
| 6 | W | 41.9 | Very low | 46 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 70% | 0.697 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.7 | -41 | -176 | -167.2 | 51.9 | 0 | 0 | 0 | 113 | F8 N9 I10 | W6-F8 VanDerWaalsContact C-N 3.33Å; W6-F8 PolarHBondContact O-N 3.33Å; W6-N9 PolarHBondContact O-N 3.07Å; W6-I10 HydrophobicContact CD2-CD1 4.06Å; W6-I10 HydrophobicContact CE3-CD1 4.49Å; W6-I10 HydrophobicContact CH2-CD1 4.43Å; W6-I10 HydrophobicContact CZ2-CD1 3.99Å; W6-I10 PolarHBondContact O-N 3.46Å |
| 7 | H | 46.5 | Very low | 45.8 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 59% | 0.593 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.4 | -31 | -179.9 | -119 | -97.2 | 0 | 0 | 0 | 113.2 | R11 | H7-R11 PolarHBondContact O-N 3.46Å |
| 8 | F | 49.6 | Very low | 45.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.1 | -41.6 | 176.6 | -170.3 | -97.8 | 0 | 0 | 0 | 111.5 | W6 R11 F12 | W6-F8 VanDerWaalsContact C-N 3.33Å; W6-F8 PolarHBondContact O-N 3.33Å; F8-R11 PolarHBondContact O-N 2.93Å; F8-F12 HydrophobicContact CD1-CD2 4.22Å; F8-F12 AromaticContact CE1-CD2 3.7Å; F8-F12 HydrophobicContact CE1-CD2 3.7Å; F8-F12 AromaticContact CE1-CE2 3.66Å; F8-F12 HydrophobicContact CE1-CE2 3.66Å; F8-F12 HydrophobicContact CE2-CE2 4.24Å; F8-F12 AromaticContact CZ-CD2 3.88Å; F8-F12 HydrophobicContact CZ-CD2 3.88Å; F8-F12 AromaticContact CZ-CE2 3.47Å; F8-F12 HydrophobicContact CZ-CE2 3.47Å; F8-F12 VanDerWaalsContact CZ-CE2 3.47Å; F8-F12 PolarHBondContact O-N 3.38Å |
| 9 | N | 49.1 | Very low | 45.3 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.5 | -39.9 | -176.6 | -130.4 | -27.5 | 0 | 0 | 0 | 112.2 | S5 W6 F12 F13 | S5-N9 PolarHBondContact O-N 2.81Å; W6-N9 PolarHBondContact O-N 3.07Å; N9-F12 PolarHBondContact O-N 3.26Å; N9-F13 PolarHBondContact O-N 2.68Å |
| 10 | I | 53 | Low | 45.3 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 39% | 0.385 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.8 | -41.5 | 177.4 | -62.5 | 172.4 | 0 | 0 | 0 | 111.1 | W6 F12 F13 V14 | W6-I10 HydrophobicContact CD2-CD1 4.06Å; W6-I10 HydrophobicContact CE3-CD1 4.49Å; W6-I10 HydrophobicContact CH2-CD1 4.43Å; W6-I10 HydrophobicContact CZ2-CD1 3.99Å; W6-I10 PolarHBondContact O-N 3.46Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 2.94Å; I10-F13 PolarHBondContact O-N 3.43Å; I10-V14 HydrophobicContact CG2-CG2 4.4Å; I10-V14 WeakPolarHBondContact O-CG2 3.4Å; I10-V14 PolarHBondContact O-N 2.9Å |
| 11 | R | 40.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 137 Ų | 137 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.9 | -40.6 | 176.6 | -91.5 | -173.2 | 175.8 | -174.2 | 0.5 | 112.3 | H7 F8 F13 V14 L15 | H7-R11 PolarHBondContact O-N 3.46Å; F8-R11 PolarHBondContact O-N 2.93Å; R11-F13 VanDerWaalsContact C-N 3.35Å; R11-F13 PolarHBondContact O-N 3.15Å; R11-V14 PolarHBondContact O-N 3.2Å; R11-L15 WeakPolarHBondContact O-CD1 3.25Å; R11-L15 PolarHBondContact O-N 2.95Å |
| 12 | F | 45.3 | Very low | 45.3 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -41.1 | 177.2 | -110.3 | -88 | 0 | 0 | 0 | 112.4 | F8 N9 I10 L15 K16 | F8-F12 HydrophobicContact CD1-CD2 4.22Å; F8-F12 AromaticContact CE1-CD2 3.7Å; F8-F12 HydrophobicContact CE1-CD2 3.7Å; F8-F12 AromaticContact CE1-CE2 3.66Å; F8-F12 HydrophobicContact CE1-CE2 3.66Å; F8-F12 HydrophobicContact CE2-CE2 4.24Å; F8-F12 AromaticContact CZ-CD2 3.88Å; F8-F12 HydrophobicContact CZ-CD2 3.88Å; F8-F12 AromaticContact CZ-CE2 3.47Å; F8-F12 HydrophobicContact CZ-CE2 3.47Å; F8-F12 VanDerWaalsContact CZ-CE2 3.47Å; F8-F12 PolarHBondContact O-N 3.38Å; N9-F12 PolarHBondContact O-N 3.26Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 2.94Å; F12-L15 PolarHBondContact O-N 3.33Å; F12-K16 PolarHBondContact O-N 2.94Å; F12-K16 VanDerWaalsContact O-N 3.1Å |
| 13 | F | 44.4 | Very low | 45.2 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 178 | -163.6 | -98.5 | 0 | 0 | 0 | 112.3 | N9 I10 R11 K16 T17 | N9-F13 PolarHBondContact O-N 2.68Å; I10-F13 PolarHBondContact O-N 3.43Å; R11-F13 VanDerWaalsContact C-N 3.35Å; R11-F13 PolarHBondContact O-N 3.15Å; F13-K16 PolarHBondContact O-N 2.61Å; F13-T17 HydrophobicContact CD1-CG2 4.5Å; F13-T17 HydrophobicContact CE1-CG2 4.28Å; F13-T17 WeakPolarHBondContact O-CG2 3.4Å; F13-T17 PolarHBondContact O-N 3.46Å; F13-T17 PolarHBondContact O-OG1 3.04Å |
| 14 | V | 49.7 | Very low | 45.1 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.3 | -36.7 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | I10 R11 T17 K18 | I10-V14 HydrophobicContact CG2-CG2 4.4Å; I10-V14 WeakPolarHBondContact O-CG2 3.4Å; I10-V14 PolarHBondContact O-N 2.9Å; R11-V14 PolarHBondContact O-N 3.2Å; V14-T17 WeakPolarHBondContact CA-OG1 3.49Å; V14-T17 PolarHBondContact O-N 2.79Å; V14-T17 PolarHBondContact O-OG1 2.76Å; V14-K18 WeakPolarHBondContact O-CB 3.42Å; V14-K18 PolarHBondContact O-N 3.26Å |
| 15 | L | 47.7 | Very low | 45 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.7 | -41.6 | 174 | -99.4 | 102.4 | 0 | 0 | 0 | 111.8 | R11 F12 T17 K18 G19 | R11-L15 WeakPolarHBondContact O-CD1 3.25Å; R11-L15 PolarHBondContact O-N 2.95Å; F12-L15 PolarHBondContact O-N 3.33Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 2.83Å; L15-K18 PolarHBondContact O-N 3.41Å; L15-G19 PolarHBondContact O-N 3.45Å |
| 16 | K | 49.3 | Very low | 44.2 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.2 | -35.6 | 179.8 | -162.6 | 167.2 | -177.2 | 171.5 | 0 | 112.3 | F12 F13 F20 | F12-K16 PolarHBondContact O-N 2.94Å; F12-K16 VanDerWaalsContact O-N 3.1Å; F13-K16 PolarHBondContact O-N 2.61Å; K16-F20 PolarHBondContact O-N 3.34Å |
| 17 | T | 41.9 | Very low | 44.2 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 34% | 0.337 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.3 | -31.6 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | F13 V14 L15 F20 R21 | F13-T17 HydrophobicContact CD1-CG2 4.5Å; F13-T17 HydrophobicContact CE1-CG2 4.28Å; F13-T17 WeakPolarHBondContact O-CG2 3.4Å; F13-T17 PolarHBondContact O-N 3.46Å; F13-T17 PolarHBondContact O-OG1 3.04Å; V14-T17 WeakPolarHBondContact CA-OG1 3.49Å; V14-T17 PolarHBondContact O-N 2.79Å; V14-T17 PolarHBondContact O-OG1 2.76Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 2.83Å; T17-F20 PolarHBondContact O-N 3.42Å; T17-R21 PolarHBondContact O-N 3.34Å |
| 18 | K | 42 | Very low | 43.9 | Very low | 133 Ų | 133 | 128 Ų | 128 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.9 | -36.8 | 171.9 | -90.6 | -178.8 | 174.7 | 178.9 | 0 | 112.6 | V14 L15 F20 R21 | V14-K18 WeakPolarHBondContact O-CB 3.42Å; V14-K18 PolarHBondContact O-N 3.26Å; L15-K18 PolarHBondContact O-N 3.41Å; K18-F20 PolarHBondContact O-N 3.3Å; K18-R21 PolarHBondContact O-N 3.42Å |
| 19 | G | 41.7 | Very low | 43.6 | Very low | 54 Ų | 54 | 131.1 Ų | 131.1 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.9 | -31.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L15 | L15-G19 PolarHBondContact O-N 3.45Å |
| 20 | F | 43.4 | Very low | 42.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.3 | -37.2 | 179.1 | -146.6 | -101 | 0 | 0 | 0 | 112.7 | K16 T17 K18 H22 A23 | K16-F20 PolarHBondContact O-N 3.34Å; T17-F20 PolarHBondContact O-N 3.42Å; K18-F20 PolarHBondContact O-N 3.3Å; F20-H22 VanDerWaalsContact C-N 3.32Å; F20-H22 PolarHBondContact O-N 3.34Å; F20-A23 PolarHBondContact O-N 2.98Å |
| 21 | R | 42.7 | Very low | 41.9 | Very low | 163 Ų | 163 | 134 Ų | 134 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.1 | -16.2 | -178.7 | -76.9 | -170.4 | -72.6 | -158.4 | -4.3 | 115.3 | T17 K18 | T17-R21 PolarHBondContact O-N 3.34Å; K18-R21 PolarHBondContact O-N 3.42Å |
| 22 | H | 40.8 | Very low | 41.9 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -11.9 | 173.1 | -95.9 | 65.9 | 0 | 0 | 0 | 113.6 | F20 | F20-H22 VanDerWaalsContact C-N 3.32Å; F20-H22 PolarHBondContact O-N 3.34Å |
| 23 | A | 41.8 | Very low | 41.8 | Very low | 58 Ų | 58 | 131.5 Ų | 131.5 | 48% | 0.479 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -18.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | F20 T25 | F20-A23 PolarHBondContact O-N 2.98Å; A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 3.29Å |
| 24 | E | 40.2 | Very low | 41.9 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -18.2 | -176.4 | -68 | -176.3 | 172.2 | 0 | 0 | 113.9 | ||
| 25 | T | 41.2 | Very low | 41.5 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6 | -179.9 | 40.7 | 0 | 0 | 0 | 0 | 115 | A23 | A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 3.29Å |
| 26 | K | 36.4 | Very low | 41.5 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -114.1 | 1.5 | 180 | -102.5 | -176 | -179.1 | -178.6 | 0 | 116.6 | K28 | K26-K28 PolarHBondContact O-N 3.01Š|
| 27 | V | 41.8 | Very low | 41.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | trans | -104.2 | 51.9 | 174.9 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 28 | K | 40.2 | Very low | 42.4 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -99.9 | 96.1 | 152.1 | -89.2 | -177.7 | 175.7 | 177.6 | 0 | 106.2 | K26 | K26-K28 PolarHBondContact O-N 3.01Š|
| 29 | K | 43.6 | Very low | 43.2 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | 126.1 | 65.2 | 175 | -72.8 | 171.3 | -179.3 | -175.1 | 0 | 111.7 | ||||
| 30 | L | 30.7 | Very low | 44.3 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -141 | 102.3 | 141.4 | -99.7 | 159.5 | 0 | 0 | 0 | 105.1 | S32 | L30-S32 PolarHBondContact O-N 3.05Š| ||
| 31 | S | 34.3 | Very low | 45.3 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -55.9 | 116.7 | 175.3 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | D33 | S31-D33 PolarHBondContact O-N 2.81Š| ||
| 32 | S | 41.3 | Very low | 46.5 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | trans | 37.6 | 27.9 | 131.4 | -155.7 | 0 | 0 | 0 | 0 | 121.4 | L30 Q34 | L30-S32 PolarHBondContact O-N 3.05Å; S32-Q34 PolarHBondContact O-N 3.48Å | ||
| 33 | D | 42.7 | Very low | 47.9 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -98.6 | 79.7 | 163.4 | -70.9 | -26.2 | 0 | 0 | 0 | 109.2 | S31 W35 | S31-D33 PolarHBondContact O-N 2.81Å; D33-W35 PolarHBondContact O-N 3.5Å; D33-W35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | Q | 45.9 | Very low | 49.1 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 70% | 0.701 | S | S | * | * | trans | 28.9 | 71.2 | 146.7 | -138 | 165.7 | 26.2 | 0 | 0 | 117.2 | S32 | S32-Q34 PolarHBondContact O-N 3.48Š| ||
| 35 | W | 41.8 | Very low | 50.4 | Low | 203 Ų | 203 | 142.3 Ų | 142.3 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -18.5 | 129 | 166.8 | -68.7 | 73.5 | 0 | 0 | 0 | 118.4 | D33 Q37 | D33-W35 PolarHBondContact O-N 3.5Å; D33-W35 VanDerWaalsContact O-N 3.09Å; W35-Q37 PolarHBondContact O-N 2.85Å | ||
| 36 | P | 48.5 | Very low | 51.5 | Low | 85 Ų | 85 | 141.4 Ų | 141.4 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 29.7 | 177.3 | 34 | -35.9 | 0 | 0 | 0 | 113.9 | R38 C40 | P36-R38 VanDerWaalsContact C-N 3.29Å; P36-R38 PolarHBondContact O-N 3.39Å; P36-C40 PolarHBondContact O-N 2.81Å; P36-C40 VanDerWaalsContact O-N 3.14Å; P36-C40 PolarHBondContact O-SG 3.24Å |
| 37 | Q | 56 | Low | 52.9 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.2 | -30.6 | -177.2 | -163.9 | 175.8 | 22.4 | 0 | 0 | 111.8 | W35 L41 | W35-Q37 PolarHBondContact O-N 2.85Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.04Å |
| 38 | R | 52.4 | Low | 53.6 | Low | 211 Ų | 211 | 135.6 Ų | 135.6 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.9 | -42.5 | 177.6 | -73.3 | -171.6 | 174.2 | -159.5 | -0.2 | 111.9 | P36 L41 R42 | P36-R38 VanDerWaalsContact C-N 3.29Å; P36-R38 PolarHBondContact O-N 3.39Å; R38-L41 PolarHBondContact O-N 3.49Å; R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.37Å |
| 39 | E | 59.4 | Low | 54.2 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.8 | -45.8 | 173.7 | -81.6 | 65.5 | -144.2 | 0 | 0 | 111.5 | L41 R42 E43 | E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 2.93Å; E39-R42 WeakPolarHBondContact O-CB 3.43Å; E39-R42 PolarHBondContact O-N 2.98Å; E39-R42 VanDerWaalsContact O-N 3.16Å; E39-E43 WeakPolarHBondContact O-CG 3.36Å; E39-E43 PolarHBondContact O-N 3.28Å |
| 40 | C | 65.1 | Low | 54.8 | Low | 76 Ų | 76 | 126.3 Ų | 126.3 | 51% | 0.514 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.3 | -41.6 | 177.4 | -68 | 0 | 0 | 0 | 0 | 112.7 | P36 R42 F44 | P36-C40 PolarHBondContact O-N 2.81Å; P36-C40 VanDerWaalsContact O-N 3.14Å; P36-C40 PolarHBondContact O-SG 3.24Å; C40-R42 VanDerWaalsContact C-N 3.34Å; C40-F44 WeakPolarHBondContact O-CB 3.36Å; C40-F44 PolarHBondContact O-N 3.43Å |
| 41 | L | 63.7 | Low | 55.9 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.4 | -40.1 | 176 | -74.6 | 173.2 | 0 | 0 | 0 | 111.5 | Q37 R38 E39 F44 L45 | Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.04Å; R38-L41 PolarHBondContact O-N 3.49Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 2.93Å; L41-F44 PolarHBondContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.27Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 3.04Å |
| 42 | R | 68.7 | Low | 56.6 | Low | 160 Ų | 160 | 125.8 Ų | 125.8 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -46.2 | 178.2 | -177.1 | 177.5 | 176.8 | -82.6 | -1.8 | 111.5 | R38 E39 C40 L45 M46 | R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.37Å; E39-R42 WeakPolarHBondContact O-CB 3.43Å; E39-R42 PolarHBondContact O-N 2.98Å; E39-R42 VanDerWaalsContact O-N 3.16Å; C40-R42 VanDerWaalsContact C-N 3.34Å; R42-L45 PolarHBondContact O-N 3.48Å; R42-M46 WeakPolarHBondContact O-CB 3.29Å; R42-M46 WeakPolarHBondContact O-CG 3.17Å; R42-M46 PolarHBondContact O-N 3.39Å |
| 43 | E | 70.1 | Confident | 57.1 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -45.3 | 176.1 | -74.2 | 177.4 | -178.7 | 0 | 0 | 111.5 | E39 L45 M46 V47 | E39-E43 WeakPolarHBondContact O-CG 3.36Å; E39-E43 PolarHBondContact O-N 3.28Å; E43-L45 PolarHBondContact O-N 3.15Å; E43-M46 PolarHBondContact O-N 3.43Å; E43-V47 WeakPolarHBondContact O-CG2 3.29Å; E43-V47 PolarHBondContact O-N 2.81Å |
| 44 | F | 67 | Low | 57.4 | Low | 141 Ų | 141 | 129.9 Ų | 129.9 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.8 | -45.8 | 177.5 | -177.8 | -96.1 | 0 | 0 | 0 | 112.2 | C40 L41 V47 D48 | C40-F44 WeakPolarHBondContact O-CB 3.36Å; C40-F44 PolarHBondContact O-N 3.43Å; L41-F44 PolarHBondContact O-N 3.14Å; F44-V47 PolarHBondContact O-N 3.36Å; F44-D48 WeakPolarHBondContact O-CB 3.42Å; F44-D48 PolarHBondContact O-N 3.32Å |
| 45 | L | 68.2 | Low | 57.6 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.5 | -36.4 | 177.8 | -70.6 | 174.1 | 0 | 0 | 0 | 112.4 | L41 R42 E43 H49 | L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.27Å; L41-L45 WeakPolarHBondContact O-CG 3.43Å; L41-L45 PolarHBondContact O-N 3.04Å; R42-L45 PolarHBondContact O-N 3.48Å; E43-L45 PolarHBondContact O-N 3.15Å; L45-H49 WeakPolarHBondContact O-CB 3.5Å; L45-H49 PolarHBondContact O-N 3.18Å |
| 46 | M | 64.1 | Low | 58.1 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 51% | 0.512 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -47.5 | 174.1 | -84.5 | -175.6 | 51.2 | 0 | 0 | 111.4 | R42 E43 H49 T50 | R42-M46 WeakPolarHBondContact O-CB 3.29Å; R42-M46 WeakPolarHBondContact O-CG 3.17Å; R42-M46 PolarHBondContact O-N 3.39Å; E43-M46 PolarHBondContact O-N 3.43Å; M46-H49 PolarHBondContact O-N 3.1Å; M46-T50 PolarHBondContact O-N 3.27Å; M46-T50 PolarHBondContact O-OG1 3.23Å |
| 47 | V | 65.5 | Low | 58.4 | Low | 90 Ų | 90 | 125.7 Ų | 125.7 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.9 | -45 | 178 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | E43 F44 H49 T50 T51 | E43-V47 WeakPolarHBondContact O-CG2 3.29Å; E43-V47 PolarHBondContact O-N 2.81Å; F44-V47 PolarHBondContact O-N 3.36Å; V47-H49 VanDerWaalsContact C-N 3.31Å; V47-H49 PolarHBondContact O-N 3.43Å; V47-T50 WeakPolarHBondContact CA-OG1 3.25Å; V47-T50 PolarHBondContact O-N 3.49Å; V47-T50 PolarHBondContact O-OG1 2.96Å; V47-T50 VanDerWaalsContact O-OG1 3.09Å; V47-T51 WeakPolarHBondContact O-CB 3.44Å; V47-T51 PolarHBondContact O-N 3.39Å; V47-T51 PolarHBondContact O-OG1 3.48Å |
| 48 | D | 57.3 | Low | 58.5 | Low | 82 Ų | 82 | 121.5 Ų | 121.5 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.1 | -41.1 | 177.6 | -170.2 | 57.2 | 0 | 0 | 0 | 111.3 | F44 R52 | F44-D48 WeakPolarHBondContact O-CB 3.42Å; F44-D48 PolarHBondContact O-N 3.32Å; D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 PolarHBondContact O-N 3.21Å |
| 49 | H | 52.1 | Low | 58.9 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -43.8 | 178.9 | -168.7 | -82.9 | 0 | 0 | 0 | 113 | L45 M46 V47 R52 R53 | L45-H49 WeakPolarHBondContact O-CB 3.5Å; L45-H49 PolarHBondContact O-N 3.18Å; M46-H49 PolarHBondContact O-N 3.1Å; V47-H49 VanDerWaalsContact C-N 3.31Å; V47-H49 PolarHBondContact O-N 3.43Å; H49-R52 PolarHBondContact O-N 3.19Å; H49-R53 WeakPolarHBondContact O-CB 3.26Å; H49-R53 PolarHBondContact O-N 3.06Å |
| 50 | T | 55.4 | Low | 59 | Low | 83 Ų | 83 | 114.2 Ų | 114.2 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -42.8 | 176.9 | 39.4 | 0 | 0 | 0 | 0 | 111.7 | M46 V47 R52 R53 L54 | M46-T50 PolarHBondContact O-N 3.27Å; M46-T50 PolarHBondContact O-OG1 3.23Å; V47-T50 WeakPolarHBondContact CA-OG1 3.25Å; V47-T50 PolarHBondContact O-N 3.49Å; V47-T50 PolarHBondContact O-OG1 2.96Å; V47-T50 VanDerWaalsContact O-OG1 3.09Å; T50-R52 VanDerWaalsContact C-N 3.34Å; T50-R52 PolarHBondContact O-N 3.49Å; T50-R53 PolarHBondContact O-N 3.36Å; T50-L54 PolarHBondContact O-N 2.95Å |
| 51 | T | 54.8 | Low | 58.9 | Low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -38.5 | 178.3 | -37.8 | 0 | 0 | 0 | 0 | 111.3 | V47 R53 L54 N55 | V47-T51 WeakPolarHBondContact O-CB 3.44Å; V47-T51 PolarHBondContact O-N 3.39Å; V47-T51 PolarHBondContact O-OG1 3.48Å; T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 PolarHBondContact O-N 3.06Å; T51-L54 PolarHBondContact O-N 3.23Å; T51-N55 PolarHBondContact O-N 3.35Å |
| 52 | R | 48.6 | Very low | 58.8 | Low | 158 Ų | 158 | 112.8 Ų | 112.8 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.3 | -30.2 | 176.8 | -170.9 | 174.3 | 178.7 | -179.9 | -1.9 | 113 | D48 H49 T50 | D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 PolarHBondContact O-N 3.21Å; H49-R52 PolarHBondContact O-N 3.19Å; T50-R52 VanDerWaalsContact C-N 3.34Å; T50-R52 PolarHBondContact O-N 3.49Å |
| 53 | R | 51.2 | Low | 58.8 | Low | 194 Ų | 194 | 110.9 Ų | 110.9 | 73% | 0.732 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -74.7 | -29.4 | 178.5 | -145.6 | -179.5 | -171.5 | -166.9 | 1.7 | 112.6 | H49 T50 T51 | H49-R53 WeakPolarHBondContact O-CB 3.26Å; H49-R53 PolarHBondContact O-N 3.06Å; T50-R53 PolarHBondContact O-N 3.36Å; T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 PolarHBondContact O-N 3.06Å |
| 54 | L | 50.3 | Low | 58.2 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -81.2 | -20.4 | 177.4 | -68.6 | 175.1 | 0 | 0 | 0 | 113.4 | T50 T51 I56 | T50-L54 PolarHBondContact O-N 2.95Å; T51-L54 PolarHBondContact O-N 3.23Å; L54-I56 PolarHBondContact O-N 2.94Å |
| 55 | N | 49.3 | Very low | 57.9 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 34% | 0.337 | 56% | 0.56 | S | S | . | * | trans | -101 | 56.4 | -174.8 | -151.4 | -8.4 | 0 | 0 | 0 | 113.2 | T51 L58 | T51-N55 PolarHBondContact O-N 3.35Å; N55-L58 HydrophobicContact CB-CD2 4.32Å; N55-L58 VanDerWaalsContact CG-CD2 3.47Å; N55-L58 WeakPolarHBondContact ND2-CD2 3.25Å; N55-L58 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 56 | I | 52.3 | Low | 57.7 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | trans | -87.1 | -12.6 | 171.4 | -62.4 | 177.5 | 0 | 0 | 0 | 111.5 | L54 L58 | L54-I56 PolarHBondContact O-N 2.94Å; I56-L58 PolarHBondContact O-N 3.44Å | ||
| 57 | Q | 54.7 | Low | 57.7 | Low | 181 Ų | 181 | 110.1 Ų | 110.1 | 85% | 0.846 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -98.9 | 65.6 | 167.8 | -75.2 | -175.9 | -8.2 | 0 | 0 | 110.7 | T59 | Q57-T59 PolarHBondContact O-N 2.93Š|
| 58 | L | 58.4 | Low | 57.4 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 27% | 0.272 | 55% | 0.552 | S | S | . | * | trans | -68.7 | 123.5 | 172.3 | -66.9 | 170.8 | 0 | 0 | 0 | 109.2 | N55 I56 E62 M63 K66 | N55-L58 HydrophobicContact CB-CD2 4.32Å; N55-L58 VanDerWaalsContact CG-CD2 3.47Å; N55-L58 WeakPolarHBondContact ND2-CD2 3.25Å; N55-L58 WeakPolarHBondContact OD1-CD2 3.33Å; I56-L58 PolarHBondContact O-N 3.44Å; L58-E62 HydrophobicContact CB-CB 4.26Å; L58-E62 HydrophobicContact CD2-CB 3.85Å; L58-E62 VanDerWaalsContact CD2-OE2 3.32Å; L58-E62 WeakPolarHBondContact CD2-OE2 3.49Å; L58-M63 HydrophobicContact CB-CG 3.99Å; L58-M63 HydrophobicContact CD1-CG 4.49Å; L58-K66 HydrophobicContact CD1-CD 4.19Å | ||
| 59 | T | 61.3 | Low | 57.7 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | trans | -64.5 | 149.6 | 168.5 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | Q57 S61 E62 M63 | Q57-T59 PolarHBondContact O-N 2.93Å; T59-S61 PolarHBondContact O-N 3.06Å; T59-E62 PolarHBondContact N-OE2 3.13Å; T59-E62 WeakPolarHBondContact O-CA 3.5Å; T59-E62 WeakPolarHBondContact O-CB 3.49Å; T59-E62 PolarHBondContact O-N 3.3Å; T59-M63 PolarHBondContact O-N 2.84Å; T59-M63 VanDerWaalsContact O-N 3.15Å | ||
| 60 | A | 60.7 | Low | 58 | Low | 77 Ų | 77 | 114 Ų | 114 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -50.8 | -30.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M63 F64 | A60-M63 PolarHBondContact O-N 3.09Å; A60-F64 PolarHBondContact O-N 3.39Å; A60-F64 VanDerWaalsContact O-N 3.08Å |
| 61 | S | 62.8 | Low | 58.4 | Low | 73 Ų | 73 | 113.1 Ų | 113.1 | 51% | 0.51 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 173.4 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | T59 F64 L65 | T59-S61 PolarHBondContact O-N 3.06Å; S61-F64 WeakPolarHBondContact O-CB 3.45Å; S61-F64 PolarHBondContact O-N 3.15Å; S61-L65 PolarHBondContact O-N 3.25Å; S61-L65 VanDerWaalsContact O-N 3.08Å |
| 62 | E | 62.5 | Low | 58.9 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.4 | -34.6 | 176.3 | -63.5 | -174.6 | 131 | 0 | 0 | 111.9 | L58 T59 F64 L65 K66 | L58-E62 HydrophobicContact CB-CB 4.26Å; L58-E62 HydrophobicContact CD2-CB 3.85Å; L58-E62 VanDerWaalsContact CD2-OE2 3.32Å; L58-E62 WeakPolarHBondContact CD2-OE2 3.49Å; T59-E62 PolarHBondContact N-OE2 3.13Å; T59-E62 WeakPolarHBondContact O-CA 3.5Å; T59-E62 WeakPolarHBondContact O-CB 3.49Å; T59-E62 PolarHBondContact O-N 3.3Å; E62-F64 VanDerWaalsContact C-N 3.29Å; E62-F64 PolarHBondContact O-N 3.39Å; E62-L65 PolarHBondContact O-N 3.24Å; E62-K66 WeakPolarHBondContact O-CB 3.32Å; E62-K66 PolarHBondContact O-N 3.35Å |
| 63 | M | 68 | Low | 59.4 | Low | 119 Ų | 119 | 111.2 Ų | 111.2 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.5 | -42.1 | 170.1 | -74.3 | -177.4 | 54.4 | 0 | 0 | 111.6 | L58 T59 A60 K66 K67 | L58-M63 HydrophobicContact CB-CG 3.99Å; L58-M63 HydrophobicContact CD1-CG 4.49Å; T59-M63 PolarHBondContact O-N 2.84Å; T59-M63 VanDerWaalsContact O-N 3.15Å; A60-M63 PolarHBondContact O-N 3.09Å; M63-K66 PolarHBondContact O-N 3.37Å; M63-K67 PolarHBondContact O-N 3.47Å |
| 64 | F | 57.9 | Low | 59.8 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 54% | 0.544 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.7 | -176.9 | -98.5 | 0 | 0 | 0 | 111.4 | A60 S61 E62 K66 K67 Q68 | A60-F64 PolarHBondContact O-N 3.39Å; A60-F64 VanDerWaalsContact O-N 3.08Å; S61-F64 WeakPolarHBondContact O-CB 3.45Å; S61-F64 PolarHBondContact O-N 3.15Å; E62-F64 VanDerWaalsContact C-N 3.29Å; E62-F64 PolarHBondContact O-N 3.39Å; F64-K66 VanDerWaalsContact C-N 3.3Å; F64-K66 PolarHBondContact O-N 3.36Å; F64-K67 WeakPolarHBondContact O-CB 3.44Å; F64-K67 PolarHBondContact O-N 2.99Å; F64-K67 VanDerWaalsContact O-N 3.15Å; F64-Q68 HydrophobicContact CD1-CG 4.13Å; F64-Q68 HydrophobicContact CE1-CG 3.79Å; F64-Q68 HydrophobicContact CZ-CG 4.05Å; F64-Q68 VanDerWaalsContact CZ-NE2 3.34Å; F64-Q68 WeakPolarHBondContact O-CG 3.33Å; F64-Q68 PolarHBondContact O-N 3.05Å |
| 65 | L | 61 | Low | 60.4 | Low | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.7 | -71.4 | 173 | 0 | 0 | 0 | 112.5 | S61 E62 Q68 K69 | S61-L65 PolarHBondContact O-N 3.25Å; S61-L65 VanDerWaalsContact O-N 3.08Å; E62-L65 PolarHBondContact O-N 3.24Å; L65-Q68 PolarHBondContact O-N 2.98Å; L65-K69 WeakPolarHBondContact O-CB 3.49Å; L65-K69 WeakPolarHBondContact O-CG 3.4Å; L65-K69 PolarHBondContact O-N 3.48Å |
| 66 | K | 64.5 | Low | 61.6 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 174.8 | -170.6 | 176.3 | -177.7 | 175.8 | 0 | 112.1 | L58 E62 M63 F64 R70 | L58-K66 HydrophobicContact CD1-CD 4.19Å; E62-K66 WeakPolarHBondContact O-CB 3.32Å; E62-K66 PolarHBondContact O-N 3.35Å; M63-K66 PolarHBondContact O-N 3.37Å; F64-K66 VanDerWaalsContact C-N 3.3Å; F64-K66 PolarHBondContact O-N 3.36Å; K66-R70 WeakPolarHBondContact O-CB 3.39Å; K66-R70 WeakPolarHBondContact O-CG 3.25Å; K66-R70 PolarHBondContact O-N 3.39Å |
| 67 | K | 62.4 | Low | 62.2 | Low | 152 Ų | 152 | 107.5 Ų | 107.5 | 66% | 0.661 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.1 | -47.1 | 173.5 | -170.7 | 176.1 | 179.2 | 179.5 | 0 | 110.2 | M63 F64 R70 T71 | M63-K67 PolarHBondContact O-N 3.47Å; F64-K67 WeakPolarHBondContact O-CB 3.44Å; F64-K67 PolarHBondContact O-N 2.99Å; F64-K67 VanDerWaalsContact O-N 3.15Å; K67-R70 PolarHBondContact O-N 2.89Å; K67-T71 PolarHBondContact O-N 2.91Å; K67-T71 PolarHBondContact O-OG1 3.15Å |
| 68 | Q | 60.8 | Low | 62.4 | Low | 97 Ų | 97 | 103.5 Ų | 103.5 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.3 | -68.8 | -66.1 | -16.8 | 0 | 0 | 112.9 | F64 L65 R70 T71 M72 | F64-Q68 HydrophobicContact CD1-CG 4.13Å; F64-Q68 HydrophobicContact CE1-CG 3.79Å; F64-Q68 HydrophobicContact CZ-CG 4.05Å; F64-Q68 VanDerWaalsContact CZ-NE2 3.34Å; F64-Q68 WeakPolarHBondContact O-CG 3.33Å; F64-Q68 PolarHBondContact O-N 3.05Å; L65-Q68 PolarHBondContact O-N 2.98Å; Q68-R70 PolarHBondContact O-N 3.36Å; Q68-T71 WeakPolarHBondContact O-CB 3.45Å; Q68-T71 PolarHBondContact O-N 3.36Å; Q68-M72 PolarHBondContact O-N 2.93Å |
| 69 | K | 61.8 | Low | 62.4 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 61% | 0.609 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 178.5 | -77.1 | -176.9 | 179.7 | -179.1 | 0 | 112.7 | L65 M72 L73 | L65-K69 WeakPolarHBondContact O-CB 3.49Å; L65-K69 WeakPolarHBondContact O-CG 3.4Å; L65-K69 PolarHBondContact O-N 3.48Å; K69-M72 PolarHBondContact O-N 3.08Å; K69-L73 PolarHBondContact O-N 3.08Å |
| 70 | R | 59.4 | Low | 62.2 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.1 | -49.3 | 171.9 | -78.5 | 177.8 | 175.4 | -179.1 | -4.2 | 109.9 | K66 K67 Q68 M72 L73 D74 | K66-R70 WeakPolarHBondContact O-CB 3.39Å; K66-R70 WeakPolarHBondContact O-CG 3.25Å; K66-R70 PolarHBondContact O-N 3.39Å; K67-R70 PolarHBondContact O-N 2.89Å; Q68-R70 PolarHBondContact O-N 3.36Å; R70-M72 VanDerWaalsContact C-N 3.3Å; R70-M72 PolarHBondContact O-N 3.34Å; R70-L73 PolarHBondContact O-N 3.46Å; R70-D74 VanDerWaalsContact O-CB 3.32Å; R70-D74 WeakPolarHBondContact O-CB 3.44Å; R70-D74 PolarHBondContact O-N 3.27Å; R70-D74 VanDerWaalsContact O-OD2 3.1Å |
| 71 | T | 64.2 | Low | 62 | Low | 65 Ų | 65 | 113.3 Ų | 113.3 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.6 | -40.8 | 177 | -46.3 | 0 | 0 | 0 | 0 | 112.4 | K67 Q68 D74 L75 | K67-T71 PolarHBondContact O-N 2.91Å; K67-T71 PolarHBondContact O-OG1 3.15Å; Q68-T71 WeakPolarHBondContact O-CB 3.45Å; Q68-T71 PolarHBondContact O-N 3.36Å; T71-D74 PolarHBondContact O-N 3.4Å; T71-L75 HydrophobicContact CG2-CD1 3.9Å; T71-L75 HydrophobicContact CG2-CG 4.42Å; T71-L75 VanDerWaalsContact O-CB 3.25Å; T71-L75 WeakPolarHBondContact O-CB 3.37Å; T71-L75 VanDerWaalsContact O-CD1 3.29Å; T71-L75 WeakPolarHBondContact O-CD1 3.4Å; T71-L75 WeakPolarHBondContact O-CG 3.47Å; T71-L75 PolarHBondContact O-N 3.5Å |
| 72 | M | 65.6 | Low | 61.7 | Low | 108 Ų | 108 | 118 Ų | 118 | 53% | 0.532 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.7 | -41.1 | 178.9 | -170.8 | 178.4 | 68.7 | 0 | 0 | 112.9 | Q68 K69 R70 L75 M76 | Q68-M72 PolarHBondContact O-N 2.93Å; K69-M72 PolarHBondContact O-N 3.08Å; R70-M72 VanDerWaalsContact C-N 3.3Å; R70-M72 PolarHBondContact O-N 3.34Å; M72-L75 PolarHBondContact O-N 2.76Å; M72-M76 HydrophobicContact CE-CE 4.38Å; M72-M76 HydrophobicContact CG-CE 4.22Å; M72-M76 WeakPolarHBondContact O-CB 3.46Å; M72-M76 WeakPolarHBondContact O-CG 3.41Å; M72-M76 PolarHBondContact O-N 3.35Å |
| 73 | L | 58.8 | Low | 61.5 | Low | 90 Ų | 90 | 117.3 Ų | 117.3 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -38.5 | 174.7 | -77.4 | 170.4 | 0 | 0 | 0 | 111.7 | K69 R70 L75 M76 F77 | K69-L73 PolarHBondContact O-N 3.08Å; R70-L73 PolarHBondContact O-N 3.46Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 3.34Å; L73-M76 HydrophobicContact CD2-CE 3.75Å; L73-M76 HydrophobicContact CG-CE 4.46Å; L73-M76 PolarHBondContact O-N 3.46Å; L73-F77 HydrophobicContact CD2-CD2 4.23Å; L73-F77 HydrophobicContact CD2-CE2 4.25Å; L73-F77 WeakPolarHBondContact O-CA 3.47Å; L73-F77 WeakPolarHBondContact O-CB 3.5Å; L73-F77 PolarHBondContact O-N 2.82Å |
| 74 | D | 58.4 | Low | 61.1 | Low | 102 Ų | 102 | 115 Ų | 115 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -29.5 | 175.6 | -62.9 | -25.2 | 0 | 0 | 0 | 111.3 | R70 T71 F77 P78 | R70-D74 VanDerWaalsContact O-CB 3.32Å; R70-D74 WeakPolarHBondContact O-CB 3.44Å; R70-D74 PolarHBondContact O-N 3.27Å; R70-D74 VanDerWaalsContact O-OD2 3.1Å; T71-D74 PolarHBondContact O-N 3.4Å; D74-F77 CarbonylContact O-C 3.29Å; D74-F77 VanDerWaalsContact O-C 3.29Å; D74-P78 WeakPolarHBondContact O-CA 3.5Å; D74-P78 VanDerWaalsContact O-N 3.08Å |
| 75 | L | 63.9 | Low | 61.1 | Low | 133 Ų | 133 | 114 Ų | 114 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.7 | -42.1 | 171.9 | -80.9 | 159.2 | 0 | 0 | 0 | 112.5 | T71 M72 L73 | T71-L75 HydrophobicContact CG2-CD1 3.9Å; T71-L75 HydrophobicContact CG2-CG 4.42Å; T71-L75 VanDerWaalsContact O-CB 3.25Å; T71-L75 WeakPolarHBondContact O-CB 3.37Å; T71-L75 VanDerWaalsContact O-CD1 3.29Å; T71-L75 WeakPolarHBondContact O-CD1 3.4Å; T71-L75 WeakPolarHBondContact O-CG 3.47Å; T71-L75 PolarHBondContact O-N 3.5Å; M72-L75 PolarHBondContact O-N 2.76Å; L73-L75 VanDerWaalsContact C-N 3.27Å; L73-L75 PolarHBondContact O-N 3.34Å |
| 76 | M | 75.3 | Confident | 61.1 | Low | 109 Ų | 109 | 111 Ų | 111 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.1 | -32.2 | 179.5 | -71.5 | -172.1 | -54.6 | 0 | 0 | 112.5 | M72 L73 | M72-M76 HydrophobicContact CE-CE 4.38Å; M72-M76 HydrophobicContact CG-CE 4.22Å; M72-M76 WeakPolarHBondContact O-CB 3.46Å; M72-M76 WeakPolarHBondContact O-CG 3.41Å; M72-M76 PolarHBondContact O-N 3.35Å; L73-M76 HydrophobicContact CD2-CE 3.75Å; L73-M76 HydrophobicContact CG-CE 4.46Å; L73-M76 PolarHBondContact O-N 3.46Å |
| 77 | F | 64.7 | Low | 61 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -128.4 | 78.1 | 176.1 | -56.7 | -81.5 | 0 | 0 | 0 | 107.2 | L73 D74 R79 | L73-F77 HydrophobicContact CD2-CD2 4.23Å; L73-F77 HydrophobicContact CD2-CE2 4.25Å; L73-F77 WeakPolarHBondContact O-CA 3.47Å; L73-F77 WeakPolarHBondContact O-CB 3.5Å; L73-F77 PolarHBondContact O-N 2.82Å; D74-F77 CarbonylContact O-C 3.29Å; D74-F77 VanDerWaalsContact O-C 3.29Å; F77-R79 PolarHBondContact O-N 2.96Å |
| 78 | P | 59 | Low | 61 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | trans | -62 | 90.6 | 167.2 | 27.2 | -31.7 | 0 | 0 | 0 | 105.9 | D74 D80 | D74-P78 WeakPolarHBondContact O-CA 3.5Å; D74-P78 VanDerWaalsContact O-N 3.08Å; P78-D80 PolarHBondContact O-N 3.15Å; P78-D80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | R | 58.5 | Low | 61.2 | Low | 193 Ų | 193 | 116.3 Ų | 116.3 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | trans | -60.2 | 122.3 | 165.2 | -77.2 | -167.6 | -179.9 | -139.2 | 0.2 | 103.7 | F77 T81 | F77-R79 PolarHBondContact O-N 2.96Å; R79-T81 WeakPolarHBondContact O-CA 3.33Å; R79-T81 WeakPolarHBondContact O-CG2 3.35Å; R79-T81 PolarHBondContact O-N 3.48Å | ||
| 80 | D | 55.6 | Low | 61.3 | Low | 124 Ų | 124 | 115.8 Ų | 115.8 | 66% | 0.663 | 57% | 0.57 | S | S | * | * | trans | -44.7 | 86.9 | 177 | -56.7 | -51.4 | 0 | 0 | 0 | 109.8 | P78 E82 A83 L84 | P78-D80 PolarHBondContact O-N 3.15Å; P78-D80 VanDerWaalsContact O-N 3.15Å; D80-E82 PolarHBondContact O-N 3.27Å; D80-A83 HydrophobicContact CB-CB 3.75Å; D80-A83 WeakPolarHBondContact O-CA 3.42Å; D80-A83 WeakPolarHBondContact O-CB 3.47Å; D80-A83 PolarHBondContact O-N 3.2Å; D80-L84 PolarHBondContact O-N 3.45Å; D80-L84 VanDerWaalsContact O-N 3.07Å | ||
| 81 | T | 57.2 | Low | 61.5 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 69% | 0.687 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.1 | -23.8 | -175.2 | 44.3 | 0 | 0 | 0 | 0 | 108.9 | R79 L84 E85 | R79-T81 WeakPolarHBondContact O-CA 3.33Å; R79-T81 WeakPolarHBondContact O-CG2 3.35Å; R79-T81 PolarHBondContact O-N 3.48Å; T81-L84 PolarHBondContact O-N 3.44Å; T81-E85 WeakPolarHBondContact O-CB 3.27Å; T81-E85 PolarHBondContact O-N 3.44Å |
| 82 | E | 57.3 | Low | 61.3 | Low | 171 Ų | 171 | 116.6 Ų | 116.6 | 80% | 0.799 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 170.1 | -145.1 | 170.4 | -152.6 | 0 | 0 | 111.9 | D80 E85 G86 | D80-E82 PolarHBondContact O-N 3.27Å; E82-E85 PolarHBondContact O-N 3.17Å; E82-G86 PolarHBondContact O-N 3.42Å |
| 83 | A | 58 | Low | 60.9 | Low | 62 Ų | 62 | 115.7 Ų | 115.7 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -36.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D80 G86 Q87 | D80-A83 HydrophobicContact CB-CB 3.75Å; D80-A83 WeakPolarHBondContact O-CA 3.42Å; D80-A83 WeakPolarHBondContact O-CB 3.47Å; D80-A83 PolarHBondContact O-N 3.2Å; A83-G86 PolarHBondContact O-N 2.99Å; A83-Q87 VanDerWaalsContact O-CB 3.25Å; A83-Q87 WeakPolarHBondContact O-CB 3.06Å; A83-Q87 PolarHBondContact O-N 2.95Å |
| 84 | L | 57.8 | Low | 60.8 | Low | 70 Ų | 70 | 115.2 Ų | 115.2 | 37% | 0.366 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.8 | -33.5 | 176.7 | -122.1 | 152.1 | 0 | 0 | 0 | 112.2 | D80 T81 R88 | D80-L84 PolarHBondContact O-N 3.45Å; D80-L84 VanDerWaalsContact O-N 3.07Å; T81-L84 PolarHBondContact O-N 3.44Å; L84-R88 WeakPolarHBondContact O-CB 3.48Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 3.43Å |
| 85 | E | 59.6 | Low | 60.7 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 49% | 0.486 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.5 | -43.5 | 171.6 | -166.6 | 178.2 | 160 | 0 | 0 | 110.9 | T81 E82 Q87 R88 R89 | T81-E85 WeakPolarHBondContact O-CB 3.27Å; T81-E85 PolarHBondContact O-N 3.44Å; E82-E85 PolarHBondContact O-N 3.17Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.49Å; E85-R88 PolarHBondContact O-N 2.9Å; E85-R89 WeakPolarHBondContact O-CG 3.32Å; E85-R89 PolarHBondContact O-N 3.41Å; E85-R89 IonicContact OE1-CZ 3.62Å; E85-R89 IonicContact OE1-NE 3.7Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å |
| 86 | G | 60.1 | Low | 60.1 | Low | 40 Ų | 40 | 115.4 Ų | 115.4 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.7 | -43.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E82 A83 R89 Q90 | E82-G86 PolarHBondContact O-N 3.42Å; A83-G86 PolarHBondContact O-N 2.99Å; G86-R89 PolarHBondContact O-N 2.88Å; G86-Q90 WeakPolarHBondContact O-CB 3.49Å; G86-Q90 PolarHBondContact O-N 3.45Å |
| 87 | Q | 61.8 | Low | 58.9 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 176.7 | -166.6 | -177.9 | 10.9 | 0 | 0 | 111.9 | A83 E85 Q90 I91 | A83-Q87 VanDerWaalsContact O-CB 3.25Å; A83-Q87 WeakPolarHBondContact O-CB 3.06Å; A83-Q87 PolarHBondContact O-N 2.95Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.49Å; Q87-Q90 PolarHBondContact O-N 3.34Å; Q87-I91 HydrophobicContact CG-CD1 4.18Å; Q87-I91 VanDerWaalsContact O-CG1 3.26Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.76Å |
| 88 | R | 63.8 | Low | 58.2 | Low | 175 Ų | 175 | 120.4 Ų | 120.4 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.5 | -43.8 | 173.6 | -82.4 | 175.4 | 166.7 | -169.1 | -3.9 | 111.9 | L84 E85 Q90 I91 E92 | L84-R88 WeakPolarHBondContact O-CB 3.48Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 3.43Å; E85-R88 PolarHBondContact O-N 2.9Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 3.4Å; R88-I91 PolarHBondContact O-N 3.33Å; R88-E92 PolarHBondContact O-N 3.14Å |
| 89 | R | 63.9 | Low | 57.7 | Low | 160 Ų | 160 | 120 Ų | 120 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62 | -37.3 | 172.9 | -68.7 | -177.9 | -168.9 | -172.3 | 6.3 | 111.4 | E85 G86 E92 T93 | E85-R89 WeakPolarHBondContact O-CG 3.32Å; E85-R89 PolarHBondContact O-N 3.41Å; E85-R89 IonicContact OE1-CZ 3.62Å; E85-R89 IonicContact OE1-NE 3.7Å; E85-R89 IonicContact OE1-NH2 2.78Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å; G86-R89 PolarHBondContact O-N 2.88Å; R89-E92 PolarHBondContact O-N 3.16Å; R89-T93 WeakPolarHBondContact O-CG2 3.41Å; R89-T93 PolarHBondContact O-N 2.89Å; R89-T93 PolarHBondContact O-OG1 2.91Å; R89-T93 VanDerWaalsContact O-OG1 3.05Å |
| 90 | Q | 65.4 | Low | 57.3 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.4 | -37.2 | 176.6 | -159.5 | 174.1 | 49.5 | 0 | 0 | 112.6 | G86 Q87 R88 T93 T94 | G86-Q90 WeakPolarHBondContact O-CB 3.49Å; G86-Q90 PolarHBondContact O-N 3.45Å; Q87-Q90 PolarHBondContact O-N 3.34Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 3.4Å; Q90-T93 WeakPolarHBondContact CA-OG1 3.36Å; Q90-T93 PolarHBondContact O-N 3.09Å; Q90-T93 PolarHBondContact O-OG1 3.25Å; Q90-T94 WeakPolarHBondContact O-CB 3.34Å; Q90-T94 VanDerWaalsContact O-CG2 3.29Å; Q90-T94 WeakPolarHBondContact O-CG2 3.35Å; Q90-T94 PolarHBondContact O-N 2.99Å; Q90-T94 PolarHBondContact O-OG1 2.94Å |
| 91 | I | 63.6 | Low | 57.1 | Low | 89 Ų | 89 | 119 Ų | 119 | 46% | 0.456 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -44.6 | 173.1 | -67.2 | 163.9 | 0 | 0 | 0 | 110.1 | Q87 R88 T93 T94 T95 | Q87-I91 HydrophobicContact CG-CD1 4.18Å; Q87-I91 VanDerWaalsContact O-CG1 3.26Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.76Å; R88-I91 PolarHBondContact O-N 3.33Å; I91-T93 VanDerWaalsContact C-N 3.33Å; I91-T93 PolarHBondContact O-N 3.39Å; I91-T94 WeakPolarHBondContact CA-OG1 3.46Å; I91-T94 PolarHBondContact O-N 2.57Å; I91-T94 PolarHBondContact O-OG1 2.92Å; I91-T94 VanDerWaalsContact O-OG1 3.06Å; I91-T95 HydrophobicContact CG2-CG2 4Å; I91-T95 WeakPolarHBondContact O-CB 3.39Å; I91-T95 VanDerWaalsContact O-CG2 3.25Å; I91-T95 WeakPolarHBondContact O-CG2 3.48Å; I91-T95 PolarHBondContact O-N 3.09Å; I91-T95 PolarHBondContact O-OG1 3.32Å |
| 92 | E | 58.6 | Low | 56.8 | Low | 133 Ų | 133 | 115.3 Ų | 115.3 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.2 | -38.3 | 176.5 | -94.5 | -175.4 | 154.3 | 0 | 0 | 113.7 | R88 R89 T95 K96 | R88-E92 PolarHBondContact O-N 3.14Å; R89-E92 PolarHBondContact O-N 3.16Å; E92-T95 WeakPolarHBondContact CA-OG1 3.41Å; E92-T95 PolarHBondContact O-OG1 2.93Å; E92-K96 PolarHBondContact O-N 3.37Å |
| 93 | T | 57.9 | Low | 56.3 | Low | 89 Ų | 89 | 114.6 Ų | 114.6 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.6 | -35.2 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | R89 Q90 I91 K97 | R89-T93 WeakPolarHBondContact O-CG2 3.41Å; R89-T93 PolarHBondContact O-N 2.89Å; R89-T93 PolarHBondContact O-OG1 2.91Å; R89-T93 VanDerWaalsContact O-OG1 3.05Å; Q90-T93 WeakPolarHBondContact CA-OG1 3.36Å; Q90-T93 PolarHBondContact O-N 3.09Å; Q90-T93 PolarHBondContact O-OG1 3.25Å; I91-T93 VanDerWaalsContact C-N 3.33Å; I91-T93 PolarHBondContact O-N 3.39Å; T93-K97 PolarHBondContact O-N 3.34Å |
| 94 | T | 57.1 | Low | 55.8 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76 | -32.6 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | Q90 I91 K97 R98 | Q90-T94 WeakPolarHBondContact O-CB 3.34Å; Q90-T94 VanDerWaalsContact O-CG2 3.29Å; Q90-T94 WeakPolarHBondContact O-CG2 3.35Å; Q90-T94 PolarHBondContact O-N 2.99Å; Q90-T94 PolarHBondContact O-OG1 2.94Å; I91-T94 WeakPolarHBondContact CA-OG1 3.46Å; I91-T94 PolarHBondContact O-N 2.57Å; I91-T94 PolarHBondContact O-OG1 2.92Å; I91-T94 VanDerWaalsContact O-OG1 3.06Å; T94-K97 PolarHBondContact O-N 2.92Å; T94-R98 PolarHBondContact O-N 3Å; T94-R98 VanDerWaalsContact O-N 3.15Å |
| 95 | T | 55.2 | Low | 55.4 | Low | 68 Ų | 68 | 116.3 Ų | 116.3 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.8 | -37.8 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | I91 E92 K97 R98 D99 | I91-T95 HydrophobicContact CG2-CG2 4Å; I91-T95 WeakPolarHBondContact O-CB 3.39Å; I91-T95 VanDerWaalsContact O-CG2 3.25Å; I91-T95 WeakPolarHBondContact O-CG2 3.48Å; I91-T95 PolarHBondContact O-N 3.09Å; I91-T95 PolarHBondContact O-OG1 3.32Å; E92-T95 WeakPolarHBondContact CA-OG1 3.41Å; E92-T95 PolarHBondContact O-OG1 2.93Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 2.91Å; T95-R98 PolarHBondContact O-N 3.49Å; T95-R98 VanDerWaalsContact O-N 3.09Å; T95-D99 PolarHBondContact O-N 3.4Å; T95-D99 VanDerWaalsContact O-N 3.13Å |
| 96 | K | 50.9 | Low | 54.8 | Low | 171 Ų | 171 | 115.6 Ų | 115.6 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.1 | -35.1 | 172.5 | -82.5 | -174.8 | 177.8 | 179.2 | 0 | 113 | E92 | E92-K96 PolarHBondContact O-N 3.37Å |
| 97 | K | 50.9 | Low | 54.1 | Low | 180 Ų | 180 | 124.6 Ų | 124.6 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78 | -24.5 | 175 | -79.2 | -153.1 | 173.3 | -169.4 | 0 | 114.2 | T93 T94 T95 | T93-K97 PolarHBondContact O-N 3.34Å; T94-K97 PolarHBondContact O-N 2.92Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 2.91Å |
| 98 | R | 50 | Low | 53.6 | Low | 172 Ų | 172 | 123.6 Ų | 123.6 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.6 | -20.2 | -175.3 | -141.7 | -175.4 | -178 | 171.2 | 0.4 | 113.7 | T94 T95 E100 T101 S102 | T94-R98 PolarHBondContact O-N 3Å; T94-R98 VanDerWaalsContact O-N 3.15Å; T95-R98 PolarHBondContact O-N 3.49Å; T95-R98 VanDerWaalsContact O-N 3.09Å; R98-E100 VanDerWaalsContact C-N 3.26Å; R98-E100 PolarHBondContact O-N 3.06Å; R98-T101 PolarHBondContact O-N 3.36Å; R98-S102 PolarHBondContact O-N 3.47Å; R98-S102 PolarHBondContact O-OG 3.42Å |
| 99 | D | 49.3 | Very low | 52.6 | Low | 89 Ų | 89 | 122.1 Ų | 122.1 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -19.4 | -176.8 | -102.3 | -16.1 | 0 | 0 | 0 | 114.4 | T95 | T95-D99 PolarHBondContact O-N 3.4Å; T95-D99 VanDerWaalsContact O-N 3.13Å |
| 100 | E | 50.5 | Low | 51.6 | Low | 180 Ų | 180 | 121.3 Ų | 121.3 | 84% | 0.841 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -32.2 | 177.1 | -67.5 | -176.8 | -179.7 | 0 | 0 | 112.5 | R98 | R98-E100 VanDerWaalsContact C-N 3.26Å; R98-E100 PolarHBondContact O-N 3.06Å |
| 101 | T | 51.4 | Low | 50.7 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -17.8 | -170.3 | -31.9 | 0 | 0 | 0 | 0 | 114.7 | R98 | R98-T101 PolarHBondContact O-N 3.36Š|
| 102 | S | 50.7 | Low | 50 | Low | 34 Ų | 34 | 119.9 Ų | 119.9 | 24% | 0.238 | 62% | 0.619 | C | S | . | * | S | Bend | trans | -115.7 | 3.9 | -168.5 | 59 | 0 | 0 | 0 | 0 | 116.9 | R98 S104 A105 | R98-S102 PolarHBondContact O-N 3.47Å; R98-S102 PolarHBondContact O-OG 3.42Å; S102-S104 PolarHBondContact O-N 3.37Å; S102-A105 PolarHBondContact O-N 3.46Å |
| 103 | K | 45.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 118.7 Ų | 118.7 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -15.3 | 172.2 | -76.5 | 177.6 | -178.6 | 165.6 | 0 | 114 | ||
| 104 | S | 48.9 | Very low | 48.6 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -27.2 | 180 | 64.6 | 0 | 0 | 0 | 0 | 115 | S102 | S102-S104 PolarHBondContact O-N 3.37Š|
| 105 | A | 47.6 | Very low | 48.1 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -38.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S102 R107 S108 | S102-A105 PolarHBondContact O-N 3.46Å; A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.3Å; A105-S108 PolarHBondContact O-OG 3.26Å |
| 106 | I | 47.5 | Very low | 47.8 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 46% | 0.456 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.9 | -167.7 | -60.2 | 175.7 | 0 | 0 | 0 | 112.9 | S108 F110 | I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-F110 HydrophobicContact CG2-CD2 3.58Å; I106-F110 HydrophobicContact CG2-CE2 3.51Å |
| 107 | R | 46.1 | Very low | 47.4 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -19.2 | -179.8 | -162.1 | 173.3 | -179.7 | -175.2 | -0.4 | 113.3 | A105 | A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.3Å |
| 108 | S | 50 | Low | 46.8 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -28.9 | -176 | 65 | 0 | 0 | 0 | 0 | 114.4 | A105 I106 | A105-S108 PolarHBondContact O-OG 3.26Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.37Å |
| 109 | E | 43.4 | Very low | 46.3 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -31.5 | -171.2 | -73 | -174.5 | 168.3 | 0 | 0 | 114.4 | A111 | E109-A111 VanDerWaalsContact C-N 3.26Å; E109-A111 PolarHBondContact O-N 3.27Å |
| 110 | F | 43.8 | Very low | 45.9 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 62% | 0.623 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -3.3 | -176.7 | -73.9 | -75.3 | 0 | 0 | 0 | 114.9 | I106 | I106-F110 HydrophobicContact CG2-CD2 3.58Å; I106-F110 HydrophobicContact CG2-CE2 3.51Å |
| 111 | A | 46.7 | Very low | 45.4 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 65% | 0.645 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -14.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | E109 | E109-A111 VanDerWaalsContact C-N 3.26Å; E109-A111 PolarHBondContact O-N 3.27Å |
| 112 | T | 47.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -110.1 | -18.8 | -170.5 | 51.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 113 | T | 44.3 | Very low | 44.3 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -85 | -24 | -169.2 | -33.4 | 0 | 0 | 0 | 0 | 115 | K115 | T113-K115 VanDerWaalsContact C-N 3.32Å; T113-K115 PolarHBondContact O-N 3.29Å |
| 114 | F | 42.7 | Very low | 44.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -85.4 | 11.6 | -174.3 | -75.1 | -79.5 | 0 | 0 | 0 | 115.7 | ||
| 115 | K | 46.2 | Very low | 43.8 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -99.6 | 5.5 | -175.6 | -88.2 | -168.9 | 177.7 | -177.5 | 0 | 117.4 | T113 | T113-K115 VanDerWaalsContact C-N 3.32Å; T113-K115 PolarHBondContact O-N 3.29Å |
| 116 | K | 49.6 | Very low | 43.6 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -143.1 | 79.7 | -179.4 | -87.4 | -178.1 | 173.8 | 176.5 | 0 | 114.2 | ||||
| 117 | I | 42 | Very low | 43.3 | Very low | 162 Ų | 162 | 153 Ų | 153 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -136.2 | 94.2 | 149.7 | -53.1 | 178.3 | 0 | 0 | 0 | 107.8 | L119 | I117-L119 PolarHBondContact O-N 3.47Š| ||
| 118 | P | 39 | Very low | 42.9 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 120.8 | 172.7 | 26.7 | -30.1 | 0 | 0 | 0 | 110.6 | R120 | P118-R120 PolarHBondContact O-N 3.29Š| ||
| 119 | L | 39.8 | Very low | 42.5 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -66.5 | 111.5 | 173.4 | -77.4 | 150.7 | 0 | 0 | 0 | 108.9 | I117 E121 | I117-L119 PolarHBondContact O-N 3.47Å; L119-E121 PolarHBondContact O-N 3.48Å | ||
| 120 | R | 40 | Very low | 42.3 | Very low | 235 Ų | 235 | 155.6 Ų | 155.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 110.9 | 172.5 | -67.3 | -179.2 | -178.3 | -104.8 | 1.5 | 108.5 | P118 E122 | P118-R120 PolarHBondContact O-N 3.29Å; R120-E122 PolarHBondContact O-N 3.31Å | ||
| 121 | E | 40.2 | Very low | 42 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -75.1 | 96.7 | 170.9 | -66.7 | 164.9 | 167 | 0 | 0 | 108.4 | L119 | L119-E121 PolarHBondContact O-N 3.48Š| ||
| 122 | E | 39.6 | Very low | 42.3 | Very low | 184 Ų | 184 | 163.9 Ų | 163.9 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -101.5 | 97.6 | 171 | -151.8 | 169.4 | -167.5 | 0 | 0 | 109 | R120 I124 | R120-E122 PolarHBondContact O-N 3.31Å; E122-I124 PolarHBondContact O-N 3.39Å | ||
| 123 | I | 40.1 | Very low | 42 | Very low | 146 Ų | 146 | 166.6 Ų | 166.6 | 75% | 0.749 | 85% | 0.848 | S | S | * | * | trans | -68.2 | 115.6 | 178.6 | -65.8 | 167.4 | 0 | 0 | 0 | 108.3 | V125 | I123-V125 PolarHBondContact O-N 3.25Š| ||
| 124 | I | 44 | Very low | 41.9 | Very low | 163 Ų | 163 | 169.6 Ų | 169.6 | 84% | 0.836 | 86% | 0.857 | S | S | * | * | trans | -70.4 | 112.7 | 178.3 | -61.2 | 172.9 | 0 | 0 | 0 | 109.1 | E122 G126 | E122-I124 PolarHBondContact O-N 3.39Å; I124-G126 PolarHBondContact O-N 3.44Å | ||
| 125 | V | 39.8 | Very low | 41.9 | Very low | 130 Ų | 130 | 168.4 Ų | 168.4 | 79% | 0.788 | 86% | 0.858 | S | S | * | * | trans | -65.9 | 119.2 | 175.7 | 177 | 0 | 0 | 0 | 0 | 109.7 | I123 Q127 | I123-V125 PolarHBondContact O-N 3.25Å; V125-Q127 PolarHBondContact O-N 3.37Å | ||
| 126 | G | 42.5 | Very low | 41.6 | Very low | 69 Ų | 69 | 167.2 Ų | 167.2 | 71% | 0.711 | 86% | 0.86 | S | S | * | * | trans | -64.8 | 124.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I124 R128 | I124-G126 PolarHBondContact O-N 3.44Å; G126-R128 PolarHBondContact O-N 3.28Å | ||
| 127 | Q | 41.5 | Very low | 41.1 | Very low | 198 Ų | 198 | 165.8 Ų | 165.8 | 93% | 0.925 | 86% | 0.862 | S | S | * | * | trans | -70.6 | 112.2 | 166.4 | -72.1 | -178.5 | -3.2 | 0 | 0 | 108.9 | V125 G129 | V125-Q127 PolarHBondContact O-N 3.37Å; Q127-G129 PolarHBondContact O-N 3.47Å | ||
| 128 | R | 38.1 | Very low | 41.1 | Very low | 246 Ų | 246 | 166 Ų | 166 | 93% | 0.928 | 86% | 0.864 | S | S | * | * | trans | -67.6 | 124.2 | 170.6 | -112.5 | -179.2 | 177.2 | -158.4 | -0.6 | 108.9 | G126 | G126-R128 PolarHBondContact O-N 3.28Š| ||
| 129 | G | 40.7 | Very low | 41.2 | Very low | 74 Ų | 74 | 170.4 Ų | 170.4 | 76% | 0.763 | 88% | 0.878 | S | S | * | * | trans | -57.1 | 134.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q127 M131 | Q127-G129 PolarHBondContact O-N 3.47Å; G129-M131 PolarHBondContact O-N 3.5Å | ||
| 130 | Q | 39.8 | Very low | 41.3 | Very low | 196 Ų | 196 | 170.6 Ų | 170.6 | 92% | 0.916 | 88% | 0.878 | S | S | * | * | trans | -75.3 | 110.8 | 155.9 | -67 | 177.5 | -4.8 | 0 | 0 | 106.6 | ||||
| 131 | M | 37.6 | Very low | 41.4 | Very low | 186 Ų | 186 | 165.3 Ų | 165.3 | 92% | 0.916 | 88% | 0.877 | S | S | * | * | trans | -103.2 | 122.1 | 153.6 | -72.9 | -164.2 | 79.1 | 0 | 0 | 106.2 | G129 | G129-M131 PolarHBondContact O-N 3.5Š| ||
| 132 | T | 53.4 | Low | 41.6 | Very low | 209 Ų | 209 | 163.7 Ų | 163.7 | 100% | 1.282 | 88% | 0.879 | S | S | * | * | trans | -51.8 | 0 | 177 | -50.6 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 132 of 132 residues in 166.3 ms
(Link to these results)