| 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 | 35.2 | Very low | 38.4 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 100% | 1.222 | 80% | 0.802 | S | S | * | * | 0 | 102.8 | 0 | -79.1 | 179.8 | 150.3 | 0 | 0 | 108 | |||||
| 2 | S | 34.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -158.7 | 88.5 | 176.1 | 33.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | L | 34.1 | Very low | 39.3 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 126.8 | 166.2 | -80 | 155.6 | 0 | 0 | 0 | 108.5 | ||||
| 4 | P | 40.2 | Very low | 40.1 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -84.8 | 118.9 | 168.4 | 31 | -27.5 | 0 | 0 | 0 | 109.9 | C6 | P4-C6 PolarHBondContact O-N 2.99Å; P4-C6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | V | 36.5 | Very low | 40.5 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -63.6 | 103.1 | 171.1 | 176 | 0 | 0 | 0 | 0 | 108.6 | T7 | V5-T7 PolarHBondContact O-N 3.37Š| ||
| 6 | C | 37.9 | Very low | 41.3 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 86% | 0.858 | 73% | 0.729 | S | S | * | * | trans | -71.7 | 96.9 | 166.2 | -97.5 | 0 | 0 | 0 | 0 | 108.7 | P4 F8 | P4-C6 PolarHBondContact O-N 2.99Å; P4-C6 VanDerWaalsContact O-N 3.15Å; C6-F8 PolarHBondContact O-N 3.46Å | ||
| 7 | T | 37.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -64.4 | 127.1 | 178.6 | 6.2 | 0 | 0 | 0 | 0 | 111.2 | V5 C9 | V5-T7 PolarHBondContact O-N 3.37Å; T7-C9 PolarHBondContact O-N 2.94Å | ||
| 8 | F | 36.3 | Very low | 42.4 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -64.4 | 44.7 | -176.5 | -125 | -103.9 | 0 | 0 | 0 | 114.8 | C6 G10 | C6-F8 PolarHBondContact O-N 3.46Å; F8-G10 PolarHBondContact O-N 3.1Å | ||
| 9 | C | 41 | Very low | 42.7 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.8 | -12.4 | -171.7 | -157.3 | 0 | 0 | 0 | 0 | 114.6 | T7 | T7-C9 PolarHBondContact O-N 2.94Å |
| 10 | G | 41.3 | Very low | 43 | Very low | 58 Ų | 58 | 129.2 Ų | 129.2 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -82.2 | -27.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | F8 | F8-G10 PolarHBondContact O-N 3.1Å |
| 11 | V | 48.1 | Very low | 42.8 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -91.7 | -32.5 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 12 | L | 40.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 117.5 Ų | 117.5 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73 | -33.6 | -179.5 | -122.1 | 83.6 | 0 | 0 | 0 | 113.1 | N14 L15 V16 | L12-N14 VanDerWaalsContact C-N 3.27Å; L12-N14 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.3Å; L12-L15 VanDerWaalsContact O-N 3.15Å; L12-V16 PolarHBondContact O-N 3.06Å |
| 13 | G | 48 | Very low | 43.5 | Very low | 42 Ų | 42 | 117.7 Ų | 117.7 | 43% | 0.433 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -58.9 | -37.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L15 T17 | G13-L15 VanDerWaalsContact C-N 3.35Å; G13-L15 PolarHBondContact O-N 3.33Å; G13-T17 PolarHBondContact O-N 2.99Å; G13-T17 PolarHBondContact O-OG1 3.49Å; G13-T17 VanDerWaalsContact O-OG1 3.1Å |
| 14 | N | 49.6 | Very low | 44 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.8 | -23.8 | -179.3 | -78.6 | -25.5 | 0 | 0 | 0 | 113.8 | L12 T17 | L12-N14 VanDerWaalsContact C-N 3.27Å; L12-N14 PolarHBondContact O-N 3.47Å; N14-T17 WeakPolarHBondContact CA-OG1 3.22Å; N14-T17 PolarHBondContact O-OG1 3.4Å; N14-T17 VanDerWaalsContact O-OG1 3.05Å |
| 15 | L | 47.3 | Very low | 44 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.6 | -37.9 | -177.3 | -142.4 | 125.9 | 0 | 0 | 0 | 111.3 | L12 G13 R18 L19 | L12-L15 PolarHBondContact O-N 3.3Å; L12-L15 VanDerWaalsContact O-N 3.15Å; G13-L15 VanDerWaalsContact C-N 3.35Å; G13-L15 PolarHBondContact O-N 3.33Å; L15-R18 PolarHBondContact O-N 3Å; L15-L19 HydrophobicContact CD2-CD1 3.97Å; L15-L19 PolarHBondContact O-N 2.89Å |
| 16 | V | 53.3 | Low | 44.2 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64.8 | -40.4 | 175.4 | -179.4 | 0 | 0 | 0 | 0 | 111 | L12 R18 L19 F20 | L12-V16 PolarHBondContact O-N 3.06Å; V16-R18 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.63Å; V16-F20 HydrophobicContact CG1-CD2 3.88Å; V16-F20 HydrophobicContact CG1-CE2 4.19Å; V16-F20 PolarHBondContact O-N 2.78Å |
| 17 | T | 53.4 | Low | 44.4 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.5 | -22.5 | 176.4 | 43.4 | 0 | 0 | 0 | 0 | 114.3 | G13 N14 A21 | G13-T17 PolarHBondContact O-N 2.99Å; G13-T17 PolarHBondContact O-OG1 3.49Å; G13-T17 VanDerWaalsContact O-OG1 3.1Å; N14-T17 WeakPolarHBondContact CA-OG1 3.22Å; N14-T17 PolarHBondContact O-OG1 3.4Å; N14-T17 VanDerWaalsContact O-OG1 3.05Å; T17-A21 WeakPolarHBondContact O-CB 3.08Å |
| 18 | R | 47.5 | Very low | 44.6 | Very low | 217 Ų | 217 | 114.6 Ų | 114.6 | 82% | 0.819 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -88.5 | -27.2 | 178.5 | -75.3 | -171.7 | 178.4 | -162.5 | 1.6 | 113.5 | L15 V16 | L15-R18 PolarHBondContact O-N 3Å; V16-R18 PolarHBondContact O-N 3.08Å |
| 19 | L | 49.1 | Very low | 44.9 | Very low | 136 Ų | 136 | 109 Ų | 109 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.6 | -29.3 | 179.8 | -73.5 | 170.2 | 0 | 0 | 0 | 113 | L15 V16 | L15-L19 HydrophobicContact CD2-CD1 3.97Å; L15-L19 PolarHBondContact O-N 2.89Å; V16-L19 PolarHBondContact O-N 2.63Å |
| 20 | F | 48.1 | Very low | 45 | Very low | 170 Ų | 170 | 111.3 Ų | 111.3 | 75% | 0.746 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -96.5 | -0.7 | 179.1 | -74 | -78.7 | 0 | 0 | 0 | 114.8 | V16 S22 | V16-F20 HydrophobicContact CG1-CD2 3.88Å; V16-F20 HydrophobicContact CG1-CE2 4.19Å; V16-F20 PolarHBondContact O-N 2.78Å; F20-S22 PolarHBondContact O-N 3.25Å |
| 21 | A | 39.6 | Very low | 45.4 | Very low | 64 Ų | 64 | 113.4 Ų | 113.4 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | trans | -75.1 | 91.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T17 | T17-A21 WeakPolarHBondContact O-CB 3.08Š| ||
| 22 | S | 36.9 | Very low | 45.6 | Very low | 68 Ų | 68 | 113 Ų | 113 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | trans | -42.7 | 125.2 | 164.3 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | F20 F24 S25 | F20-S22 PolarHBondContact O-N 3.25Å; S22-F24 PolarHBondContact O-N 3.03Å; S22-S25 PolarHBondContact O-N 3.47Å; S22-S25 PolarHBondContact O-OG 3Å; S22-S25 PolarHBondContact OG-OG 2.89Å | ||
| 23 | P | 47.3 | Very low | 45.8 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -2.5 | -169.9 | 25.9 | -33.8 | 0 | 0 | 0 | 113.9 | ||
| 24 | F | 44.9 | Very low | 46.1 | Very low | 200 Ų | 200 | 119.9 Ų | 119.9 | 88% | 0.877 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -5.4 | -174.7 | -130.2 | -98.5 | 0 | 0 | 0 | 115.1 | S22 | S22-F24 PolarHBondContact O-N 3.03Š|
| 25 | S | 39.5 | Very low | 46.6 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | trans | -108.3 | 13.2 | 180 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | S22 | S22-S25 PolarHBondContact O-N 3.47Å; S22-S25 PolarHBondContact O-OG 3Å; S22-S25 PolarHBondContact OG-OG 2.89Å | ||
| 26 | G | 41.2 | Very low | 47.8 | Very low | 41 Ų | 41 | 122.4 Ų | 122.4 | 42% | 0.423 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -72.7 | 137 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L28 | G26-L28 PolarHBondContact O-N 3.23Š|
| 27 | P | 42.1 | Very low | 48.6 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | trans | -72.7 | 68.3 | 178 | 30.7 | -32.9 | 0 | 0 | 0 | 110.3 | G29 | P27-G29 PolarHBondContact O-N 3.28Š| ||
| 28 | L | 40.7 | Very low | 49.7 | Very low | 160 Ų | 160 | 128 Ų | 128 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 72.8 | 171.2 | -79.2 | 160.4 | 0 | 0 | 0 | 108.4 | G26 | G26-L28 PolarHBondContact O-N 3.23Š|
| 29 | G | 43.3 | Very low | 51.1 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.7 | -11 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P27 S31 | P27-G29 PolarHBondContact O-N 3.28Å; G29-S31 PolarHBondContact O-N 2.99Å |
| 30 | Q | 43.2 | Very low | 52.3 | Low | 159 Ų | 159 | 116.9 Ų | 116.9 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -73.7 | 90 | 167.3 | -67.9 | -167.6 | 8.7 | 0 | 0 | 108 | V32 | Q30-V32 VanDerWaalsContact C-N 3.31Å; Q30-V32 PolarHBondContact O-N 3.39Å | ||
| 31 | S | 49.6 | Very low | 53.6 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | trans | -48.2 | 108.6 | 153 | 59.4 | 0 | 0 | 0 | 0 | 105.4 | G29 R33 | G29-S31 PolarHBondContact O-N 2.99Å; S31-R33 PolarHBondContact O-N 2.96Å | ||
| 32 | V | 52.3 | Low | 55.4 | Low | 89 Ų | 89 | 119 Ų | 119 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | trans | -69.7 | 76.2 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 106 | Q30 W34 | Q30-V32 VanDerWaalsContact C-N 3.31Å; Q30-V32 PolarHBondContact O-N 3.39Å; V32-W34 VanDerWaalsContact C-N 3.31Å; V32-W34 PolarHBondContact O-N 2.8Å | ||
| 33 | R | 44.7 | Very low | 57 | Low | 222 Ų | 222 | 124.1 Ų | 124.1 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | trans | -68.5 | 101.3 | 166.1 | -175.9 | 175.2 | -176.1 | 174.3 | 0.3 | 103.5 | S31 K35 | S31-R33 PolarHBondContact O-N 2.96Å; R33-K35 PolarHBondContact O-N 2.93Å; R33-K35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | W | 54.3 | Low | 58.1 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 37% | 0.367 | 65% | 0.645 | S | S | . | * | trans | -44.3 | 118.3 | 175.5 | -51.5 | 91.5 | 0 | 0 | 0 | 108.3 | V32 M40 R43 | V32-W34 VanDerWaalsContact C-N 3.31Å; V32-W34 PolarHBondContact O-N 2.8Å; W34-M40 HydrophobicContact CD2-CB 4.35Å; W34-M40 HydrophobicContact CD2-CG 4.43Å; W34-M40 HydrophobicContact CE3-CB 3.83Å; W34-M40 HydrophobicContact CE3-CG 4.19Å; W34-M40 HydrophobicContact CZ3-CB 4.15Å; W34-M40 HydrophobicContact CZ3-CG 4.28Å; W34-R43 HydrophobicContact CZ3-CB 4.28Å | ||
| 35 | K | 60.5 | Low | 59.4 | Low | 176 Ų | 176 | 114.8 Ų | 114.8 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -72.9 | -45.1 | 177.4 | -79.2 | -178.2 | 176.4 | 178.5 | 0 | 108.9 | R33 E39 | R33-K35 PolarHBondContact O-N 2.93Å; R33-K35 VanDerWaalsContact O-N 3.08Å; K35-E39 PolarHBondContact N-OE2 2.89Å |
| 36 | N | 73.3 | Confident | 61 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | trans | -136.7 | 153.5 | -175.9 | -67.2 | -22.6 | 0 | 0 | 0 | 113.6 | F38 E39 M40 | N36-F38 PolarHBondContact O-N 3.25Å; N36-E39 PolarHBondContact O-N 3.49Å; N36-M40 PolarHBondContact O-N 3.12Å | ||
| 37 | L | 69.3 | Low | 62.6 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -56.4 | -32.5 | 175.2 | -164.8 | 85.5 | 0 | 0 | 0 | 112.4 | M40 H41 | L37-M40 HydrophobicContact CD1-CE 3.72Å; L37-M40 HydrophobicContact CG-CE 4.35Å; L37-M40 WeakPolarHBondContact O-CB 3.5Å; L37-M40 PolarHBondContact O-N 3.38Å; L37-H41 PolarHBondContact O-N 3.49Å |
| 38 | F | 76.6 | Confident | 64.3 | Low | 151 Ų | 151 | 127 Ų | 127 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.1 | -43.8 | 179.9 | -162.2 | -100.4 | 0 | 0 | 0 | 112.4 | N36 M40 H41 L42 | N36-F38 PolarHBondContact O-N 3.25Å; F38-M40 VanDerWaalsContact C-N 3.25Å; F38-M40 PolarHBondContact O-N 3.2Å; F38-H41 PolarHBondContact O-N 2.95Å; F38-H41 VanDerWaalsContact O-N 3.12Å; F38-L42 HydrophobicContact CD1-CD1 3.7Å; F38-L42 HydrophobicContact CD1-CG 4.19Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CD2 4.39Å; F38-L42 HydrophobicContact CE1-CG 4.1Å; F38-L42 WeakPolarHBondContact O-CG 3.28Å; F38-L42 PolarHBondContact O-N 3.35Å |
| 39 | E | 76.1 | Confident | 66.2 | Low | 82 Ų | 82 | 130.2 Ų | 130.2 | 38% | 0.383 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.3 | -35.5 | 175 | -67.2 | -179.6 | 159.5 | 0 | 0 | 111.9 | K35 N36 R43 | K35-E39 PolarHBondContact N-OE2 2.89Å; N36-E39 PolarHBondContact O-N 3.49Å; E39-R43 PolarHBondContact O-N 3.03Å |
| 40 | M | 75.6 | Confident | 68 | Low | 36 Ų | 36 | 137.8 Ų | 137.8 | 18% | 0.177 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -67 | -38.7 | 175.7 | -171.3 | -172.5 | 69.8 | 0 | 0 | 111.3 | W34 N36 L37 F38 G45 R46 | W34-M40 HydrophobicContact CD2-CB 4.35Å; W34-M40 HydrophobicContact CD2-CG 4.43Å; W34-M40 HydrophobicContact CE3-CB 3.83Å; W34-M40 HydrophobicContact CE3-CG 4.19Å; W34-M40 HydrophobicContact CZ3-CB 4.15Å; W34-M40 HydrophobicContact CZ3-CG 4.28Å; N36-M40 PolarHBondContact O-N 3.12Å; L37-M40 HydrophobicContact CD1-CE 3.72Å; L37-M40 HydrophobicContact CG-CE 4.35Å; L37-M40 WeakPolarHBondContact O-CB 3.5Å; L37-M40 PolarHBondContact O-N 3.38Å; F38-M40 VanDerWaalsContact C-N 3.25Å; F38-M40 PolarHBondContact O-N 3.2Å; M40-G45 VanDerWaalsContact O-CA 3.24Å; M40-G45 WeakPolarHBondContact O-CA 3.21Å; M40-G45 PolarHBondContact O-N 3.46Å; M40-R46 HydrophobicContact CE-CG 4.4Å; M40-R46 HydrophobicContact SD-CG 3.51Å; M40-R46 VanDerWaalsContact SD-CG 3.51Å |
| 41 | H | 75.3 | Confident | 69.8 | Low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.9 | -44 | 177.2 | -161.4 | 80.8 | 0 | 0 | 0 | 111.7 | L37 F38 R43 A44 | L37-H41 PolarHBondContact O-N 3.49Å; F38-H41 PolarHBondContact O-N 2.95Å; F38-H41 VanDerWaalsContact O-N 3.12Å; H41-R43 PolarHBondContact O-N 3.32Å; H41-A44 PolarHBondContact O-N 3.26Å |
| 42 | L | 77.3 | Confident | 71 | Confident | 125 Ų | 125 | 139.1 Ų | 139.1 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.1 | -29.7 | 177.2 | -71.1 | 173.4 | 0 | 0 | 0 | 113.5 | F38 | F38-L42 HydrophobicContact CD1-CD1 3.7Å; F38-L42 HydrophobicContact CD1-CG 4.19Å; F38-L42 HydrophobicContact CE1-CD1 3.65Å; F38-L42 HydrophobicContact CE1-CD2 4.39Å; F38-L42 HydrophobicContact CE1-CG 4.1Å; F38-L42 WeakPolarHBondContact O-CG 3.28Å; F38-L42 PolarHBondContact O-N 3.35Å |
| 43 | R | 69.7 | Low | 72 | Confident | 175 Ų | 175 | 139.6 Ų | 139.6 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 26.1 | 179.6 | -68.8 | -171.7 | 179.9 | -166.3 | 1.2 | 114.3 | W34 E39 H41 G45 | W34-R43 HydrophobicContact CZ3-CB 4.28Å; E39-R43 PolarHBondContact O-N 3.03Å; H41-R43 PolarHBondContact O-N 3.32Å; R43-G45 PolarHBondContact O-N 2.96Å |
| 44 | A | 70.2 | Confident | 73.5 | Confident | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | 28.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H41 | H41-A44 PolarHBondContact O-N 3.26Š|
| 45 | G | 72.9 | Confident | 74.9 | Confident | 25 Ų | 25 | 134.5 Ų | 134.5 | 26% | 0.258 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 86 | -168.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M40 R43 | M40-G45 VanDerWaalsContact O-CA 3.24Å; M40-G45 WeakPolarHBondContact O-CA 3.21Å; M40-G45 PolarHBondContact O-N 3.46Å; R43-G45 PolarHBondContact O-N 2.96Å |
| 46 | R | 73.1 | Confident | 76.1 | Confident | 195 Ų | 195 | 127.2 Ų | 127.2 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -61.5 | 139 | -178.6 | -69 | -178.8 | 178.1 | 177.2 | -0.5 | 110 | M40 K48 | M40-R46 HydrophobicContact CE-CG 4.4Å; M40-R46 HydrophobicContact SD-CG 3.51Å; M40-R46 VanDerWaalsContact SD-CG 3.51Å; R46-K48 PolarHBondContact O-N 3.28Å |
| 47 | P | 74.2 | Confident | 76.8 | Confident | 92 Ų | 92 | 122.1 Ų | 122.1 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138 | 173.1 | 24.3 | -33 | 0 | 0 | 0 | 109.7 | R49 | P47-R49 PolarHBondContact O-N 3.18Š|
| 48 | K | 79 | Confident | 77.6 | Confident | 207 Ų | 207 | 117.2 Ų | 117.2 | 90% | 0.9 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 126.9 | 176.1 | -71.2 | -177.4 | 179.9 | 177.4 | 0 | 108.7 | R46 R50 | R46-K48 PolarHBondContact O-N 3.28Å; K48-R50 PolarHBondContact O-N 3Å |
| 49 | R | 79.4 | Confident | 78 | Confident | 227 Ų | 227 | 113.1 Ų | 113.1 | 86% | 0.857 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.5 | 175.5 | -72.8 | -178.6 | 173.6 | 173.9 | -1.8 | 108.5 | P47 | P47-R49 PolarHBondContact O-N 3.18Š|
| 50 | R | 82.1 | Confident | 78.7 | Confident | 227 Ų | 227 | 114.1 Ų | 114.1 | 86% | 0.857 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139 | 173.3 | -65.5 | -178 | -177.7 | -179.6 | 0.3 | 109.1 | K48 Q52 | K48-R50 PolarHBondContact O-N 3Å; R50-Q52 PolarHBondContact O-N 2.69Å |
| 51 | P | 80.1 | Confident | 79.5 | Confident | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.3 | 175.7 | 24.3 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 52 | Q | 75 | Confident | 80.5 | Confident | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.9 | 178.1 | -63.9 | -64.7 | -21.1 | 0 | 0 | 110.2 | R50 K54 | R50-Q52 PolarHBondContact O-N 2.69Å; Q52-K54 PolarHBondContact O-N 2.84Å |
| 53 | P | 73.8 | Confident | 81.3 | Confident | 99 Ų | 99 | 109.1 Ų | 109.1 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 124.1 | 178.5 | 25.4 | -32.9 | 0 | 0 | 0 | 110 | ||
| 54 | K | 76.7 | Confident | 82.6 | Confident | 167 Ų | 167 | 106.5 Ų | 106.5 | 73% | 0.726 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 148 | 179 | -65.9 | -177.9 | 179.9 | -178.7 | 0 | 110.4 | Q52 | Q52-K54 PolarHBondContact O-N 2.84Š|
| 55 | S | 82.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 159.2 | 168 | 65.8 | 0 | 0 | 0 | 0 | 109.6 | I57 S58 | S55-I57 PolarHBondContact O-N 3.45Å; S55-I57 VanDerWaalsContact O-N 3.11Å; S55-S58 PolarHBondContact O-N 2.85Å |
| 56 | P | 85.9 | Confident | 85 | Confident | 23 Ų | 23 | 103.1 Ų | 103.1 | 15% | 0.149 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.8 | -179.7 | -15.2 | 28.5 | 0 | 0 | 0 | 113.6 | S58 L90 T96 I128 | P56-S58 PolarHBondContact O-N 3.01Å; P56-L90 HydrophobicContact CB-CD1 4.41Å; P56-T96 HydrophobicContact CB-CG2 3.25Å; P56-T96 HydrophobicContact CG-CG2 3.69Å; P56-I128 HydrophobicContact CB-CD1 3.5Å; P56-I128 VanDerWaalsContact CB-CD1 3.5Å; P56-I128 HydrophobicContact CB-CG1 4.44Å; P56-I128 HydrophobicContact CG-CD1 3.48Å; P56-I128 VanDerWaalsContact CG-CD1 3.48Å; P56-I128 HydrophobicContact CG-CG1 3.91Å |
| 57 | I | 88.7 | Confident | 86 | Confident | 1 Ų | 1 | 93.9 Ų | 93.9 | 1% | 0.005 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.3 | 171.1 | -60.6 | 163.3 | 0 | 0 | 0 | 112.5 | S55 G59 H60 M63 V115 I128 | S55-I57 PolarHBondContact O-N 3.45Å; S55-I57 VanDerWaalsContact O-N 3.11Å; I57-G59 PolarHBondContact O-N 3.09Å; I57-H60 HydrophobicContact CG2-CB 3.56Å; I57-H60 WeakPolarHBondContact CG2-O 2.84Å; I57-H60 PolarHBondContact O-N 3.25Å; I57-H60 PolarHBondContact O-ND1 3.34Å; I57-M63 HydrophobicContact CB-CE 4.15Å; I57-M63 HydrophobicContact CG1-CB 4.45Å; I57-M63 HydrophobicContact CG1-CE 4.06Å; I57-M63 HydrophobicContact CG2-CB 3.83Å; I57-M63 HydrophobicContact CG2-CE 4Å; I57-M63 HydrophobicContact CG2-SD 4.3Å; I57-V115 HydrophobicContact CD1-CG1 4.46Å; I57-I128 HydrophobicContact CD1-CD1 4.43Å; I57-I128 HydrophobicContact CD1-CG2 3.39Å; I57-I128 HydrophobicContact CG1-CD1 4.08Å; I57-I128 HydrophobicContact CG1-CG2 4.13Å |
| 58 | S | 85.5 | Confident | 86.9 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 21.2 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | S55 P56 K94 | S55-S58 PolarHBondContact O-N 2.85Å; P56-S58 PolarHBondContact O-N 3.01Å; S58-K94 PolarHBondContact OG-NZ 3.42Å; S58-K94 VanDerWaalsContact OG-NZ 3.15Å |
| 59 | G | 84.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 86.7 Ų | 86.7 | 68% | 0.68 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | -8.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I57 | I57-G59 PolarHBondContact O-N 3.09Š|
| 60 | H | 90.9 | Very high | 88 | Confident | 102 Ų | 102 | 78 Ų | 78 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | trans | -69.7 | 146.9 | 174.5 | -49.7 | 81.3 | 0 | 0 | 0 | 111.1 | I57 | I57-H60 HydrophobicContact CG2-CB 3.56Å; I57-H60 WeakPolarHBondContact CG2-O 2.84Å; I57-H60 PolarHBondContact O-N 3.25Å; I57-H60 PolarHBondContact O-ND1 3.34Å | ||
| 61 | P | 93.1 | Very high | 88.3 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -66.2 | -50.6 | 179.3 | 23.9 | -32.3 | 0 | 0 | 0 | 112.1 | E116 | P61-E116 WeakPolarHBondContact O-CB 3.25Š|
| 62 | Q | 94.9 | Very high | 88.9 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.3 | 171.4 | 59.5 | -93.3 | -5 | 0 | 0 | 110.6 | L114 V115 I131 | Q62-L114 HydrophobicContact CB-CD1 4.1Å; Q62-L114 HydrophobicContact CB-CD2 4.31Å; Q62-L114 HydrophobicContact CB-CG 4.18Å; Q62-L114 HydrophobicContact CG-CD1 4.16Å; Q62-L114 HydrophobicContact CG-CD2 4.26Å; Q62-L114 HydrophobicContact CG-CG 4.49Å; Q62-V115 CarbonylContact C-O 3.49Å; Q62-V115 VanDerWaalsContact CA-O 3.3Å; Q62-V115 WeakPolarHBondContact CA-O 3.47Å; Q62-I131 HydrophobicContact CB-CD1 4.48Å |
| 63 | M | 95.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 5% | 0.054 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 143.9 | 175.5 | -162.8 | 163.5 | 58.3 | 0 | 0 | 111 | I57 L90 T91 N92 V115 | I57-M63 HydrophobicContact CB-CE 4.15Å; I57-M63 HydrophobicContact CG1-CB 4.45Å; I57-M63 HydrophobicContact CG1-CE 4.06Å; I57-M63 HydrophobicContact CG2-CB 3.83Å; I57-M63 HydrophobicContact CG2-CE 4Å; I57-M63 HydrophobicContact CG2-SD 4.3Å; M63-L90 HydrophobicContact CE-CB 3.39Å; M63-L90 HydrophobicContact CE-CD1 3.42Å; M63-L90 VanDerWaalsContact CE-CD1 3.42Å; M63-L90 HydrophobicContact CE-CD2 3.71Å; M63-L90 HydrophobicContact CE-CG 3.62Å; M63-T91 WeakPolarHBondContact CG-OG1 3.31Å; M63-T91 PolarHBondContact SD-OG1 2.95Å; M63-T91 VanDerWaalsContact SD-OG1 3.4Å; M63-N92 HydrophobicContact CE-CB 4.45Å; M63-N92 HydrophobicContact SD-CB 4.35Å; M63-N92 PolarHBondContact SD-ND2 3.36Å; M63-N92 PolarHBondContact SD-OD1 3.29Å; M63-N92 VanDerWaalsContact SD-OD1 3.4Å; M63-V115 PolarHBondContact N-O 3.14Å; M63-V115 WeakPolarHBondContact O-CB 3.15Å; M63-V115 PolarHBondContact O-N 2.78Å |
| 64 | R | 96.9 | Very high | 90.5 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 147.2 | 174.1 | -175.7 | 173.3 | 175.2 | -162 | -1.4 | 109.5 | T91 Q112 V113 L135 | R64-T91 HydrophobicContact CB-CG2 4.03Å; R64-T91 PolarHBondContact O-N 2.96Å; R64-T91 VanDerWaalsContact O-N 3.16Å; R64-Q112 VanDerWaalsContact NH2-NE2 3.14Å; R64-V113 WeakPolarHBondContact CA-O 3.36Å; R64-L135 HydrophobicContact CG-CD1 3.98Å |
| 65 | G | 96.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 158.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R89 V113 | G65-R89 CarbonylContact C-O 3.41Å; G65-R89 WeakPolarHBondContact CA-O 3.37Å; G65-V113 PolarHBondContact N-O 3.38Å; G65-V113 WeakPolarHBondContact O-CG2 3.46Å; G65-V113 PolarHBondContact O-N 3.41Å |
| 66 | V | 96.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.5 | 175 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | L68 V88 R89 | V66-L68 PolarHBondContact O-N 3.09Å; V66-V88 CarbonylContact O-C 3.6Å; V66-V88 WeakPolarHBondContact O-CA 3.43Å; V66-R89 PolarHBondContact N-O 3.13Å; V66-R89 PolarHBondContact O-N 3.16Å |
| 67 | V | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.7 | 174.1 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | V86 V88 L107 Q108 H110 S111 V113 | V67-V86 HydrophobicContact CB-CG1 3.74Å; V67-V86 HydrophobicContact CG1-CG1 3.14Å; V67-V86 HydrophobicContact CG2-CG1 3.44Å; V67-V86 VanDerWaalsContact CG2-CG1 3.44Å; V67-V88 HydrophobicContact CG2-CG2 4.44Å; V67-L107 HydrophobicContact CG2-CD1 4.44Å; V67-Q108 WeakPolarHBondContact CB-O 3.32Å; V67-Q108 WeakPolarHBondContact CG1-O 3.14Å; V67-H110 VanDerWaalsContact O-CA 3.26Å; V67-H110 WeakPolarHBondContact O-CA 3.48Å; V67-H110 PolarHBondContact O-N 3.42Å; V67-S111 WeakPolarHBondContact CB-O 3.35Å; V67-S111 VanDerWaalsContact CG2-O 3.31Å; V67-S111 WeakPolarHBondContact CG2-O 3.23Å; V67-S111 PolarHBondContact N-O 2.99Å; V67-V113 HydrophobicContact CG2-CG1 3.84Å; V67-V113 HydrophobicContact CG2-CG2 3.97Å |
| 68 | L | 92.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 75.4 Ų | 75.4 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -45.3 | 169.3 | -62.9 | -179.1 | 0 | 0 | 0 | 110.2 | V66 L87 R89 E95 | V66-L68 PolarHBondContact O-N 3.09Å; L68-L87 HydrophobicContact CB-CD2 3.63Å; L68-L87 HydrophobicContact CD1-CD2 3.33Å; L68-L87 HydrophobicContact CG-CD2 3.91Å; L68-L87 PolarHBondContact N-O 3.39Å; L68-R89 HydrophobicContact CD1-CB 3.97Å; L68-R89 HydrophobicContact CD2-CB 4.2Å; L68-R89 HydrophobicContact CG-CB 4.03Å; L68-E95 HydrophobicContact CD1-CG 3.99Å |
| 69 | K | 89.2 | Confident | 92.4 | Very high | 97 Ų | 97 | 77 Ų | 77 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 148.1 | 177.8 | 56.7 | 179.1 | 175 | -177.2 | 0 | 113 | L71 V86 L87 | K69-L71 HydrophobicContact CD-CD2 3.75Å; K69-L71 HydrophobicContact CD-CG 4.37Å; K69-L71 HydrophobicContact CG-CD2 4.01Å; K69-L71 HydrophobicContact CG-CG 4.13Å; K69-V86 WeakPolarHBondContact O-CA 3.35Å; K69-V86 WeakPolarHBondContact O-CG1 3.34Å; K69-L87 HydrophobicContact CG-CB 3.73Å; K69-L87 PolarHBondContact N-O 3.03Å; K69-L87 PolarHBondContact O-N 3.16Å |
| 70 | V | 91.6 | Very high | 92.5 | Very high | 44 Ų | 44 | 79.1 Ų | 79.1 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.1 | 169.9 | -178.9 | 0 | 0 | 0 | 0 | 109 | H105 L107 | V70-H105 WeakPolarHBondContact CG1-NE2 3.41Å; V70-L107 WeakPolarHBondContact CG2-O 3.41Å |
| 71 | L | 89.9 | Confident | 92.4 | Very high | 43 Ų | 43 | 76.7 Ų | 76.7 | 23% | 0.225 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144 | -176.5 | -66.3 | 179.7 | 0 | 0 | 0 | 111.3 | K69 C85 L87 V97 | K69-L71 HydrophobicContact CD-CD2 3.75Å; K69-L71 HydrophobicContact CD-CG 4.37Å; K69-L71 HydrophobicContact CG-CD2 4.01Å; K69-L71 HydrophobicContact CG-CG 4.13Å; L71-C85 CarbonylContact C-O 3.55Å; L71-C85 HydrophobicContact CB-CB 4.35Å; L71-C85 PolarHBondContact N-O 3.08Å; L71-C85 CarbonylContact O-C 3.13Å; L71-C85 WeakPolarHBondContact O-CA 3.34Å; L71-C85 PolarHBondContact O-N 2.88Å; L71-L87 HydrophobicContact CD1-CB 3.9Å; L71-L87 HydrophobicContact CD1-CD1 4.25Å; L71-L87 HydrophobicContact CG-CB 4.46Å; L71-V97 HydrophobicContact CD1-CG2 4.19Å |
| 72 | I | 92.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 76.3 Ų | 76.3 | 54% | 0.544 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.1 | 167 | -59.3 | 175.1 | 0 | 0 | 0 | 107.8 | N82 R83 | I72-N82 HydrophobicContact CG2-CB 3.59Å; I72-R83 WeakPolarHBondContact CA-O 3.49Å |
| 73 | K | 90.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 75.1 Ų | 75.1 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.7 | 176.2 | -73.6 | -169.6 | 167.4 | -174.4 | 0 | 110.9 | R83 V97 L123 V126 | K73-R83 PolarHBondContact N-O 3.16Å; K73-R83 PolarHBondContact O-N 2.78Å; K73-R83 VanDerWaalsContact O-N 3.1Å; K73-V97 HydrophobicContact CD-CG1 4.14Å; K73-L123 HydrophobicContact CB-CD2 3.7Å; K73-V126 HydrophobicContact CD-CG2 3.96Å |
| 74 | K | 91.2 | Very high | 92.1 | Very high | 148 Ų | 148 | 78.4 Ų | 78.4 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 133.9 | 169.4 | -63.9 | -67 | -174.9 | 172.5 | 0 | 109.7 | N82 | K74-N82 VanDerWaalsContact CD-OD1 3.27Å; K74-N82 WeakPolarHBondContact CD-OD1 3.33Å; K74-N82 WeakPolarHBondContact CE-OD1 3.41Å; K74-N82 PolarHBondContact NZ-OD1 3.16Å |
| 75 | P | 93.3 | Very high | 92 | Very high | 18 Ų | 18 | 72.7 Ų | 72.7 | 12% | 0.117 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 166.3 | 177.7 | 32.5 | -36.9 | 0 | 0 | 0 | 112.1 | N79 A81 D122 | P75-N79 HydrophobicContact CB-CB 4.14Å; P75-N79 HydrophobicContact CG-CB 3.95Å; P75-N79 WeakPolarHBondContact CG-O 3.47Å; P75-A81 WeakPolarHBondContact CD-O 3.45Å; P75-A81 VanDerWaalsContact CG-O 3.31Å; P75-A81 WeakPolarHBondContact CG-O 3.38Å; P75-D122 CarbonylContact C-O 3.32Å; P75-D122 HydrophobicContact CB-CB 3.94Å |
| 76 | K | 93 | Very high | 91.9 | Very high | 100 Ų | 100 | 72.6 Ų | 72.6 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.9 | 166.3 | -70.3 | 179 | 176.2 | -167.9 | 0 | 110.1 | N79 D122 | K76-N79 PolarHBondContact O-N 2.93Å; K76-D122 WeakPolarHBondContact CG-O 3.04Å; K76-D122 PolarHBondContact N-O 3.37Å |
| 77 | K | 87.9 | Confident | 91.9 | Very high | 203 Ų | 203 | 71.7 Ų | 71.7 | 88% | 0.883 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 119.9 | 165 | -166.8 | 173.6 | -175.5 | 179.6 | 0 | 107.1 | ||
| 78 | P | 94.2 | Very high | 91.9 | Very high | 120 Ų | 120 | 71.7 Ų | 71.7 | 78% | 0.779 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -101 | -10.1 | 42.5 | 36.5 | -38.1 | 0 | 0 | 0 | 116.6 | ||
| 79 | N | 91.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 75.6 Ų | 75.6 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | trans | -83 | 148.6 | -174.8 | -66.7 | -32.7 | 0 | 0 | 0 | 110.9 | P75 K76 D122 | P75-N79 HydrophobicContact CB-CB 4.14Å; P75-N79 HydrophobicContact CG-CB 3.95Å; P75-N79 WeakPolarHBondContact CG-O 3.47Å; K76-N79 PolarHBondContact O-N 2.93Å; N79-D122 PolarHBondContact ND2-OD1 2.91Å | ||
| 80 | S | 87.4 | Confident | 92.5 | Very high | 109 Ų | 109 | 71.2 Ų | 71.2 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | trans | -116.3 | -16.6 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 81 | A | 88.8 | Confident | 92.6 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | trans | -67.9 | 133.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P75 R83 | P75-A81 WeakPolarHBondContact CD-O 3.45Å; P75-A81 VanDerWaalsContact CG-O 3.31Å; P75-A81 WeakPolarHBondContact CG-O 3.38Å; A81-R83 PolarHBondContact O-N 3.03Å | ||
| 82 | N | 90.8 | Very high | 92.7 | Very high | 88 Ų | 88 | 75 Ų | 75 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | trans | -61.5 | 132 | 176 | -75.6 | -14.5 | 0 | 0 | 0 | 111.9 | I72 K74 | I72-N82 HydrophobicContact CG2-CB 3.59Å; K74-N82 VanDerWaalsContact CD-OD1 3.27Å; K74-N82 WeakPolarHBondContact CD-OD1 3.33Å; K74-N82 WeakPolarHBondContact CE-OD1 3.41Å; K74-N82 PolarHBondContact NZ-OD1 3.16Å | ||
| 83 | R | 93 | Very high | 92.6 | Very high | 80 Ų | 80 | 71.8 Ų | 71.8 | 30% | 0.302 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.8 | 176.8 | -58.2 | -56.3 | -163.8 | -167.6 | -0.8 | 110.6 | I72 K73 A81 D122 L123 | I72-R83 WeakPolarHBondContact CA-O 3.49Å; K73-R83 PolarHBondContact N-O 3.16Å; K73-R83 PolarHBondContact O-N 2.78Å; K73-R83 VanDerWaalsContact O-N 3.1Å; A81-R83 PolarHBondContact O-N 3.03Å; R83-D122 IonicContact CZ-OD2 3.18Å; R83-D122 IonicContact NE-OD2 3.57Å; R83-D122 PolarHBondContact NE-OD2 2.9Å; R83-D122 IonicContact NH2-OD2 2.72Å; R83-D122 PolarHBondContact NH2-OD2 3.31Å; R83-L123 HydrophobicContact CB-CD1 3.96Å; R83-L123 HydrophobicContact CB-CD2 4.14Å; R83-L123 HydrophobicContact CB-CG 4.43Å; R83-L123 HydrophobicContact CG-CD1 4.37Å; R83-L123 HydrophobicContact CG-CD2 4.14Å; R83-L123 HydrophobicContact CG-CG 4.39Å |
| 84 | K | 93.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.9 | 176.6 | -59.2 | -175 | 178.1 | -167.2 | 0 | 109.5 | I100 H105 I175 | K84-I100 HydrophobicContact CB-CD1 4.32Å; K84-I100 PolarHBondContact O-N 3.45Å; K84-I100 VanDerWaalsContact O-N 3.11Å; K84-H105 WeakPolarHBondContact CD-ND1 3.44Å; K84-I175 VanDerWaalsContact NZ-CG2 3.34Å |
| 85 | C | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 168.7 | -178 | -67.4 | 0 | 0 | 0 | 0 | 109.9 | L71 V97 A98 L123 | L71-C85 CarbonylContact C-O 3.55Å; L71-C85 HydrophobicContact CB-CB 4.35Å; L71-C85 PolarHBondContact N-O 3.08Å; L71-C85 CarbonylContact O-C 3.13Å; L71-C85 WeakPolarHBondContact O-CA 3.34Å; L71-C85 PolarHBondContact O-N 2.88Å; C85-V97 HydrophobicContact CB-CG1 3.7Å; C85-A98 CarbonylContact C-O 3.5Å; C85-A98 VanDerWaalsContact CA-O 3.26Å; C85-A98 WeakPolarHBondContact CA-O 3.43Å; C85-A98 WeakPolarHBondContact CB-O 3.44Å; C85-L123 WeakPolarHBondContact SG-CD1 3.23Å |
| 86 | V | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 134.6 | 179.3 | -170 | 0 | 0 | 0 | 0 | 108.5 | V67 K69 V88 V97 A98 I100 L107 | V67-V86 HydrophobicContact CB-CG1 3.74Å; V67-V86 HydrophobicContact CG1-CG1 3.14Å; V67-V86 HydrophobicContact CG2-CG1 3.44Å; V67-V86 VanDerWaalsContact CG2-CG1 3.44Å; K69-V86 WeakPolarHBondContact O-CA 3.35Å; K69-V86 WeakPolarHBondContact O-CG1 3.34Å; V86-V88 HydrophobicContact CB-CG2 4.03Å; V86-V88 HydrophobicContact CG1-CG2 3.81Å; V86-V97 CarbonylContact O-C 3.51Å; V86-V97 WeakPolarHBondContact O-CA 3.45Å; V86-A98 PolarHBondContact N-O 3.43Å; V86-A98 PolarHBondContact O-N 3.4Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 3.65Å; V86-L107 HydrophobicContact CG2-CD1 3.81Å |
| 87 | L | 96.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.7 | 168.3 | -166.7 | 140.4 | 0 | 0 | 0 | 107.6 | L68 K69 L71 V97 | L68-L87 HydrophobicContact CB-CD2 3.63Å; L68-L87 HydrophobicContact CD1-CD2 3.33Å; L68-L87 HydrophobicContact CG-CD2 3.91Å; L68-L87 PolarHBondContact N-O 3.39Å; K69-L87 HydrophobicContact CG-CB 3.73Å; K69-L87 PolarHBondContact N-O 3.03Å; K69-L87 PolarHBondContact O-N 3.16Å; L71-L87 HydrophobicContact CD1-CB 3.9Å; L71-L87 HydrophobicContact CD1-CD1 4.25Å; L71-L87 HydrophobicContact CG-CB 4.46Å; L87-V97 HydrophobicContact CD1-CG2 4.32Å |
| 88 | V | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.1 | -171 | 178.1 | 0 | 0 | 0 | 0 | 109 | V66 V67 V86 L90 E95 T96 A98 V113 V115 | V66-V88 CarbonylContact O-C 3.6Å; V66-V88 WeakPolarHBondContact O-CA 3.43Å; V67-V88 HydrophobicContact CG2-CG2 4.44Å; V86-V88 HydrophobicContact CB-CG2 4.03Å; V86-V88 HydrophobicContact CG1-CG2 3.81Å; V88-L90 HydrophobicContact CG1-CD2 4.06Å; V88-E95 WeakPolarHBondContact O-CA 3.16Å; V88-T96 PolarHBondContact N-O 2.73Å; V88-T96 PolarHBondContact O-N 3.36Å; V88-A98 HydrophobicContact CG2-CB 4.29Å; V88-V113 HydrophobicContact CG1-CG2 3.95Å; V88-V113 HydrophobicContact CG2-CG2 3.91Å; V88-V115 HydrophobicContact CG1-CG2 4.36Å |
| 89 | R | 96.6 | Very high | 93.6 | Very high | 134 Ų | 134 | 55.3 Ų | 55.3 | 51% | 0.506 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 113.3 | 165.3 | -174.3 | 173 | 178.6 | -172.8 | -1.2 | 108.6 | G65 V66 L68 E95 | G65-R89 CarbonylContact C-O 3.41Å; G65-R89 WeakPolarHBondContact CA-O 3.37Å; V66-R89 PolarHBondContact N-O 3.13Å; V66-R89 PolarHBondContact O-N 3.16Å; L68-R89 HydrophobicContact CD1-CB 3.97Å; L68-R89 HydrophobicContact CD2-CB 4.2Å; L68-R89 HydrophobicContact CG-CB 4.03Å; R89-E95 HydrophobicContact CB-CG 4.18Å; R89-E95 HydrophobicContact CG-CG 4.17Å |
| 90 | L | 95.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 160.6 | -179.9 | -65.1 | 169.8 | 0 | 0 | 0 | 110.8 | P56 M63 V88 N92 G93 K94 T96 V115 I128 | P56-L90 HydrophobicContact CB-CD1 4.41Å; M63-L90 HydrophobicContact CE-CB 3.39Å; M63-L90 HydrophobicContact CE-CD1 3.42Å; M63-L90 VanDerWaalsContact CE-CD1 3.42Å; M63-L90 HydrophobicContact CE-CD2 3.71Å; M63-L90 HydrophobicContact CE-CG 3.62Å; V88-L90 HydrophobicContact CG1-CD2 4.06Å; L90-N92 PolarHBondContact O-N 2.86Å; L90-N92 VanDerWaalsContact O-N 3.11Å; L90-G93 WeakPolarHBondContact O-CA 3.43Å; L90-G93 PolarHBondContact O-N 3.47Å; L90-K94 VanDerWaalsContact CB-O 3.31Å; L90-K94 WeakPolarHBondContact CB-O 3.35Å; L90-K94 PolarHBondContact N-O 3.17Å; L90-T96 WeakPolarHBondContact CD1-OG1 3.24Å; L90-V115 HydrophobicContact CD2-CB 4.44Å; L90-V115 HydrophobicContact CD2-CG1 4.42Å; L90-I128 HydrophobicContact CD1-CD1 4.31Å |
| 91 | T | 94.8 | Very high | 94 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 60% | 0.595 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.4 | 174.1 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | M63 R64 G93 | M63-T91 WeakPolarHBondContact CG-OG1 3.31Å; M63-T91 PolarHBondContact SD-OG1 2.95Å; M63-T91 VanDerWaalsContact SD-OG1 3.4Å; R64-T91 HydrophobicContact CB-CG2 4.03Å; R64-T91 PolarHBondContact O-N 2.96Å; R64-T91 VanDerWaalsContact O-N 3.16Å; T91-G93 PolarHBondContact O-N 2.92Å; T91-G93 VanDerWaalsContact O-N 3.12Å |
| 92 | N | 91.6 | Very high | 94 | Very high | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 3.2 | 173.6 | -65.4 | -9.5 | 0 | 0 | 0 | 113.9 | M63 L90 K94 | M63-N92 HydrophobicContact CE-CB 4.45Å; M63-N92 HydrophobicContact SD-CB 4.35Å; M63-N92 PolarHBondContact SD-ND2 3.36Å; M63-N92 PolarHBondContact SD-OD1 3.29Å; M63-N92 VanDerWaalsContact SD-OD1 3.4Å; L90-N92 PolarHBondContact O-N 2.86Å; L90-N92 VanDerWaalsContact O-N 3.11Å; N92-K94 PolarHBondContact O-N 3.34Å; N92-K94 VanDerWaalsContact O-N 3.12Å |
| 93 | G | 91.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 76.2 | -13.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L90 T91 | L90-G93 WeakPolarHBondContact O-CA 3.43Å; L90-G93 PolarHBondContact O-N 3.47Å; T91-G93 PolarHBondContact O-N 2.92Å; T91-G93 VanDerWaalsContact O-N 3.12Å |
| 94 | K | 92.3 | Very high | 93.2 | Very high | 101 Ų | 101 | 50 Ų | 50 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | trans | -70.4 | 131.8 | 178.4 | -67.9 | -178.4 | -179 | 173.8 | 0 | 111.6 | S58 L90 N92 | S58-K94 PolarHBondContact OG-NZ 3.42Å; S58-K94 VanDerWaalsContact OG-NZ 3.15Å; L90-K94 VanDerWaalsContact CB-O 3.31Å; L90-K94 WeakPolarHBondContact CB-O 3.35Å; L90-K94 PolarHBondContact N-O 3.17Å; N92-K94 PolarHBondContact O-N 3.34Å; N92-K94 VanDerWaalsContact O-N 3.12Å | ||
| 95 | E | 95.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 47.3 Ų | 47.3 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.5 | 173.7 | -64 | -178.6 | -175.5 | 0 | 0 | 110.6 | L68 V88 R89 | L68-E95 HydrophobicContact CD1-CG 3.99Å; V88-E95 WeakPolarHBondContact O-CA 3.16Å; R89-E95 HydrophobicContact CB-CG 4.18Å; R89-E95 HydrophobicContact CG-CG 4.17Å |
| 96 | T | 94.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.9 | 178.1 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | P56 V88 L90 I128 | P56-T96 HydrophobicContact CB-CG2 3.25Å; P56-T96 HydrophobicContact CG-CG2 3.69Å; V88-T96 PolarHBondContact N-O 2.73Å; V88-T96 PolarHBondContact O-N 3.36Å; L90-T96 WeakPolarHBondContact CD1-OG1 3.24Å; T96-I128 HydrophobicContact CG2-CD1 4.45Å; T96-I128 WeakPolarHBondContact OG1-CD1 3.25Å |
| 97 | V | 95.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.3 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L71 K73 C85 V86 L87 V126 | L71-V97 HydrophobicContact CD1-CG2 4.19Å; K73-V97 HydrophobicContact CD-CG1 4.14Å; C85-V97 HydrophobicContact CB-CG1 3.7Å; V86-V97 CarbonylContact O-C 3.51Å; V86-V97 WeakPolarHBondContact O-CA 3.45Å; L87-V97 HydrophobicContact CD1-CG2 4.32Å; V97-V126 HydrophobicContact CB-CG2 4.3Å; V97-V126 HydrophobicContact CG1-CG2 3.99Å; V97-V126 WeakPolarHBondContact O-CG1 3.28Å |
| 98 | A | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 144.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C85 V86 V88 V115 I128 V130 | C85-A98 CarbonylContact C-O 3.5Å; C85-A98 VanDerWaalsContact CA-O 3.26Å; C85-A98 WeakPolarHBondContact CA-O 3.43Å; C85-A98 WeakPolarHBondContact CB-O 3.44Å; V86-A98 PolarHBondContact N-O 3.43Å; V86-A98 PolarHBondContact O-N 3.4Å; V88-A98 HydrophobicContact CG2-CB 4.29Å; A98-V115 HydrophobicContact CB-CG1 4.28Å; A98-I128 VanDerWaalsContact CA-O 3.27Å; A98-I128 WeakPolarHBondContact CA-O 3.44Å; A98-V130 HydrophobicContact CB-CG2 3.71Å |
| 99 | W | 96 | Very high | 91.8 | Very high | 38 Ų | 38 | 61 Ų | 61 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 150.6 | 171.6 | 64.8 | -77.2 | 0 | 0 | 0 | 111 | P101 G118 K120 L123 V126 I128 R129 V130 | W99-P101 HydrophobicContact CE3-CB 4.29Å; W99-P101 HydrophobicContact CH2-CB 3.99Å; W99-P101 HydrophobicContact CZ3-CB 3.55Å; W99-P101 HydrophobicContact CZ3-CG 4.5Å; W99-G118 PolarHBondContact NE1-O 2.97Å; W99-K120 HydrophobicContact CD2-CB 4.3Å; W99-K120 HydrophobicContact CD2-CD 3.88Å; W99-K120 HydrophobicContact CD2-CG 4.41Å; W99-K120 HydrophobicContact CE3-CD 4.04Å; W99-K120 HydrophobicContact CG-CB 3.98Å; W99-K120 HydrophobicContact CG-CD 4.33Å; W99-K120 HydrophobicContact CG-CG 4.35Å; W99-K120 HydrophobicContact CH2-CD 4.45Å; W99-K120 HydrophobicContact CZ2-CD 4.3Å; W99-K120 HydrophobicContact CZ3-CD 4.3Å; W99-L123 HydrophobicContact CB-CD1 4.36Å; W99-V126 HydrophobicContact CB-CG1 3.97Å; W99-V126 HydrophobicContact CG-CG1 4.2Å; W99-I128 PolarHBondContact N-O 2.94Å; W99-I128 VanDerWaalsContact N-O 3.08Å; W99-R129 HydrophobicContact CD2-CB 4.14Å; W99-R129 VanDerWaalsContact CE2-CB 3.43Å; W99-R129 HydrophobicContact CH2-CB 4.44Å; W99-R129 HydrophobicContact CZ2-CB 3.61Å; W99-R129 HydrophobicContact CZ2-CG 4.42Å; W99-R129 WeakPolarHBondContact O-CA 3.17Å; W99-V130 PolarHBondContact O-N 3.4Å |
| 100 | I | 95 | Very high | 91.5 | Very high | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 123.5 | -179 | -43.1 | 174.1 | 0 | 0 | 0 | 109.1 | K84 V86 H105 L107 V130 | K84-I100 HydrophobicContact CB-CD1 4.32Å; K84-I100 PolarHBondContact O-N 3.45Å; K84-I100 VanDerWaalsContact O-N 3.11Å; V86-I100 HydrophobicContact CG2-CD1 3.47Å; V86-I100 VanDerWaalsContact CG2-CD1 3.47Å; V86-I100 HydrophobicContact CG2-CG1 3.65Å; I100-H105 HydrophobicContact CD1-CB 3.83Å; I100-H105 VanDerWaalsContact CD1-CG 3.47Å; I100-H105 WeakPolarHBondContact CD1-ND1 3.1Å; I100-H105 HydrophobicContact CG2-CB 4.24Å; I100-L107 HydrophobicContact CD1-CD1 4.06Å; I100-L107 HydrophobicContact CG1-CD1 4.49Å; I100-V130 HydrophobicContact CG1-CG2 4.48Å |
| 101 | P | 93.1 | Very high | 91.4 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 154.5 | 175.5 | 30.2 | -32.7 | 0 | 0 | 0 | 112.2 | W99 V130 R132 | W99-P101 HydrophobicContact CE3-CB 4.29Å; W99-P101 HydrophobicContact CH2-CB 3.99Å; W99-P101 HydrophobicContact CZ3-CB 3.55Å; W99-P101 HydrophobicContact CZ3-CG 4.5Å; P101-V130 WeakPolarHBondContact CD-O 3.1Å; P101-V130 VanDerWaalsContact CG-O 3.23Å; P101-V130 WeakPolarHBondContact CG-O 3.45Å; P101-R132 HydrophobicContact CG-CG 3.87Å; P101-R132 PolarHBondContact O-NE 3.04Å; P101-R132 PolarHBondContact O-NH2 2.88Å |
| 102 | G | 89 | Confident | 91.5 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 78.9 | -175.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 103 | E | 83.4 | Confident | 91.7 | Very high | 175 Ų | 175 | 56.9 Ų | 56.9 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -89.5 | 133.7 | 177.3 | -62.9 | -177.7 | 179.3 | 0 | 0 | 110.4 | ||
| 104 | G | 83.9 | Confident | 92 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | trans | 68.4 | 146.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R132 | G104-R132 PolarHBondContact O-NH1 2.91Å; G104-R132 PolarHBondContact O-NH2 3.46Å | ||
| 105 | H | 85.4 | Confident | 92.2 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | trans | -142.1 | 160 | 172.6 | 62.1 | -90.7 | 0 | 0 | 0 | 111.8 | V70 K84 I100 | V70-H105 WeakPolarHBondContact CG1-NE2 3.41Å; K84-H105 WeakPolarHBondContact CD-ND1 3.44Å; I100-H105 HydrophobicContact CD1-CB 3.83Å; I100-H105 VanDerWaalsContact CD1-CG 3.47Å; I100-H105 WeakPolarHBondContact CD1-ND1 3.1Å; I100-H105 HydrophobicContact CG2-CB 4.24Å | ||
| 106 | N | 87.3 | Confident | 92.1 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -109.3 | 13.6 | 176.1 | -170.6 | 37.5 | 0 | 0 | 0 | 112.8 | V173 | N106-V173 HydrophobicContact CB-CG1 4.19Š| ||
| 107 | L | 89.9 | Confident | 92.1 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | trans | -75.6 | 133.2 | -178.4 | -66.2 | 177.3 | 0 | 0 | 0 | 111.7 | V67 V70 V86 I100 V113 D136 C137 | V67-L107 HydrophobicContact CG2-CD1 4.44Å; V70-L107 WeakPolarHBondContact CG2-O 3.41Å; V86-L107 HydrophobicContact CG2-CD1 3.81Å; I100-L107 HydrophobicContact CD1-CD1 4.06Å; I100-L107 HydrophobicContact CG1-CD1 4.49Å; L107-V113 HydrophobicContact CD1-CG1 3.7Å; L107-V113 HydrophobicContact CD2-CG1 3.34Å; L107-V113 HydrophobicContact CG-CG1 4.14Å; L107-D136 HydrophobicContact CD2-CB 4.42Å; L107-C137 VanDerWaalsContact CD1-SG 3.53Å; L107-C137 VanDerWaalsContact CD2-SG 3.5Å | ||
| 108 | Q | 90.5 | Very high | 91.9 | Very high | 119 Ų | 119 | 49.1 Ų | 49.1 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | trans | -117.8 | 176.5 | 174 | -61.2 | 175.4 | 25.4 | 0 | 0 | 109.4 | V67 S111 | V67-Q108 WeakPolarHBondContact CB-O 3.32Å; V67-Q108 WeakPolarHBondContact CG1-O 3.14Å; Q108-S111 PolarHBondContact N-OG 3.23Å; Q108-S111 VanDerWaalsContact O-CB 3.3Å; Q108-S111 WeakPolarHBondContact O-CB 3.28Å; Q108-S111 PolarHBondContact O-N 2.99Å; Q108-S111 PolarHBondContact O-OG 3.2Å; Q108-S111 VanDerWaalsContact O-OG 3.1Å | ||
| 109 | E | 90.2 | Very high | 91.8 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 145.1 | 166.8 | -58.3 | -168.8 | 161 | 0 | 0 | 110.1 | S111 | E109-S111 PolarHBondContact O-N 2.99Š|
| 110 | H | 91.7 | Very high | 91.7 | Very high | 135 Ų | 135 | 58.1 Ų | 58.1 | 63% | 0.625 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 0.8 | -176.6 | -53.3 | -69.6 | 0 | 0 | 0 | 116.6 | V67 | V67-H110 VanDerWaalsContact O-CA 3.26Å; V67-H110 WeakPolarHBondContact O-CA 3.48Å; V67-H110 PolarHBondContact O-N 3.42Å |
| 111 | S | 92.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | trans | -60.8 | 147.5 | 171.5 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | V67 Q108 E109 D136 | V67-S111 WeakPolarHBondContact CB-O 3.35Å; V67-S111 VanDerWaalsContact CG2-O 3.31Å; V67-S111 WeakPolarHBondContact CG2-O 3.23Å; V67-S111 PolarHBondContact N-O 2.99Å; Q108-S111 PolarHBondContact N-OG 3.23Å; Q108-S111 VanDerWaalsContact O-CB 3.3Å; Q108-S111 WeakPolarHBondContact O-CB 3.28Å; Q108-S111 PolarHBondContact O-N 2.99Å; Q108-S111 PolarHBondContact O-OG 3.2Å; Q108-S111 VanDerWaalsContact O-OG 3.1Å; E109-S111 PolarHBondContact O-N 2.99Å; S111-D136 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 112 | Q | 96.3 | Very high | 91.5 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.4 | -178.9 | -57.1 | -179.5 | 2.5 | 0 | 0 | 110.3 | R64 L135 D136 | R64-Q112 VanDerWaalsContact NH2-NE2 3.14Å; Q112-L135 HydrophobicContact CB-CB 4.44Å; Q112-L135 HydrophobicContact CB-CD1 4.11Å; Q112-L135 VanDerWaalsContact O-CB 3.23Å; Q112-L135 WeakPolarHBondContact O-CB 3.48Å; Q112-D136 PolarHBondContact N-OD2 3.04Å; Q112-D136 WeakPolarHBondContact O-CB 3.23Å; Q112-D136 PolarHBondContact O-N 3.15Å; Q112-D136 VanDerWaalsContact O-N 3.16Å |
| 113 | V | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.2 | -175.6 | -69 | 0 | 0 | 0 | 0 | 111.7 | R64 G65 V67 V88 L107 V115 V130 | R64-V113 WeakPolarHBondContact CA-O 3.36Å; G65-V113 PolarHBondContact N-O 3.38Å; G65-V113 WeakPolarHBondContact O-CG2 3.46Å; G65-V113 PolarHBondContact O-N 3.41Å; V67-V113 HydrophobicContact CG2-CG1 3.84Å; V67-V113 HydrophobicContact CG2-CG2 3.97Å; V88-V113 HydrophobicContact CG1-CG2 3.95Å; V88-V113 HydrophobicContact CG2-CG2 3.91Å; L107-V113 HydrophobicContact CD1-CG1 3.7Å; L107-V113 HydrophobicContact CD2-CG1 3.34Å; L107-V113 HydrophobicContact CG-CG1 4.14Å; V113-V115 HydrophobicContact CB-CG2 4.2Å; V113-V115 HydrophobicContact CG2-CG2 3.67Å; V113-V130 HydrophobicContact CB-CG1 3.94Å; V113-V130 HydrophobicContact CG1-CG1 4.01Å |
| 114 | L | 97.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.6 | 167.8 | -168.6 | 68.3 | 0 | 0 | 0 | 108.3 | Q62 I131 K134 L135 | Q62-L114 HydrophobicContact CB-CD1 4.1Å; Q62-L114 HydrophobicContact CB-CD2 4.31Å; Q62-L114 HydrophobicContact CB-CG 4.18Å; Q62-L114 HydrophobicContact CG-CD1 4.16Å; Q62-L114 HydrophobicContact CG-CD2 4.26Å; Q62-L114 HydrophobicContact CG-CG 4.49Å; L114-I131 HydrophobicContact CB-CB 4.43Å; L114-I131 HydrophobicContact CD2-CD1 3.85Å; L114-I131 HydrophobicContact CG-CD1 3.98Å; L114-I131 WeakPolarHBondContact O-CB 3.12Å; L114-I131 PolarHBondContact O-N 3.01Å; L114-K134 HydrophobicContact CB-CB 4.25Å; L114-K134 HydrophobicContact CB-CG 3.75Å; L114-K134 HydrophobicContact CD2-CD 4.45Å; L114-K134 HydrophobicContact CD2-CG 3.65Å; L114-K134 HydrophobicContact CG-CG 4.33Å; L114-L135 HydrophobicContact CB-CD1 4.35Å |
| 115 | V | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.3 | -166.2 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | I57 Q62 M63 V88 L90 A98 V113 I128 R129 V130 | I57-V115 HydrophobicContact CD1-CG1 4.46Å; Q62-V115 CarbonylContact C-O 3.49Å; Q62-V115 VanDerWaalsContact CA-O 3.3Å; Q62-V115 WeakPolarHBondContact CA-O 3.47Å; M63-V115 PolarHBondContact N-O 3.14Å; M63-V115 WeakPolarHBondContact O-CB 3.15Å; M63-V115 PolarHBondContact O-N 2.78Å; V88-V115 HydrophobicContact CG1-CG2 4.36Å; L90-V115 HydrophobicContact CD2-CB 4.44Å; L90-V115 HydrophobicContact CD2-CG1 4.42Å; A98-V115 HydrophobicContact CB-CG1 4.28Å; V113-V115 HydrophobicContact CB-CG2 4.2Å; V113-V115 HydrophobicContact CG2-CG2 3.67Å; V115-I128 HydrophobicContact CB-CG2 4.44Å; V115-I128 HydrophobicContact CG1-CB 4.03Å; V115-I128 HydrophobicContact CG1-CG2 3.06Å; V115-R129 WeakPolarHBondContact CA-O 3.41Å; V115-R129 WeakPolarHBondContact CG1-O 3.37Å; V115-V130 HydrophobicContact CG2-CG2 4.48Å |
| 116 | E | 94.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 162 | -179.2 | 64.6 | -179.2 | 157.4 | 0 | 0 | 112.4 | P61 G118 I128 R129 I131 | P61-E116 WeakPolarHBondContact O-CB 3.25Å; E116-G118 PolarHBondContact O-N 3.34Å; E116-I128 WeakPolarHBondContact O-CG2 3.36Å; E116-R129 VanDerWaalsContact CD-NE 3.27Å; E116-R129 HydrophobicContact CG-CG 3.6Å; E116-R129 PolarHBondContact N-O 3.13Å; E116-R129 PolarHBondContact O-N 3.24Å; E116-R129 IonicContact OE1-CZ 2.78Å; E116-R129 IonicContact OE1-NE 3.41Å; E116-R129 PolarHBondContact OE1-NE 3.32Å; E116-R129 IonicContact OE1-NH2 3.22Å; E116-R129 PolarHBondContact OE1-NH2 2.99Å; E116-R129 IonicContact OE2-NH2 2.65Å; E116-R129 PolarHBondContact OE2-NH2 3.48Å; E116-I131 HydrophobicContact CB-CD1 3.96Å; E116-I131 HydrophobicContact CB-CG1 4.23Å; E116-I131 HydrophobicContact CG-CD1 3.87Å; E116-I131 HydrophobicContact CG-CG1 3.7Å; E116-I131 WeakPolarHBondContact OE1-CG1 3.48Å |
| 117 | G | 93.2 | Very high | 93.2 | Very high | 46 Ų | 46 | 59 Ų | 59 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 131 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 118 | G | 92.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | trans | 176.1 | 90.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | W99 E116 K120 K127 I128 | W99-G118 PolarHBondContact NE1-O 2.97Å; E116-G118 PolarHBondContact O-N 3.34Å; G118-K120 PolarHBondContact O-N 2.92Å; G118-K127 CarbonylContact C-O 3.59Å; G118-K127 PolarHBondContact N-O 3.49Å; G118-K127 CarbonylContact O-C 3.57Å; G118-K127 VanDerWaalsContact O-C 3.32Å; G118-I128 CarbonylContact O-C 3.45Å; G118-I128 PolarHBondContact O-N 2.85Å | ||
| 119 | R | 93.2 | Very high | 93.7 | Very high | 179 Ų | 179 | 57.5 Ų | 57.5 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | trans | -70.9 | 129.3 | 179.4 | -179.4 | -179.4 | 172.3 | -175.3 | -4.1 | 110.5 | P121 K127 | R119-P121 WeakPolarHBondContact O-CD 3.48Å; R119-K127 PolarHBondContact N-O 3.35Å | ||
| 120 | K | 94.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | trans | -88.6 | 114.5 | 169.4 | -165.6 | 70.3 | 175.3 | 178.8 | 0 | 108.9 | W99 G118 D122 L123 V126 | W99-K120 HydrophobicContact CD2-CB 4.3Å; W99-K120 HydrophobicContact CD2-CD 3.88Å; W99-K120 HydrophobicContact CD2-CG 4.41Å; W99-K120 HydrophobicContact CE3-CD 4.04Å; W99-K120 HydrophobicContact CG-CB 3.98Å; W99-K120 HydrophobicContact CG-CD 4.33Å; W99-K120 HydrophobicContact CG-CG 4.35Å; W99-K120 HydrophobicContact CH2-CD 4.45Å; W99-K120 HydrophobicContact CZ2-CD 4.3Å; W99-K120 HydrophobicContact CZ3-CD 4.3Å; G118-K120 PolarHBondContact O-N 2.92Å; K120-D122 VanDerWaalsContact C-N 3.26Å; K120-D122 HydrophobicContact CG-CB 4.34Å; K120-D122 PolarHBondContact O-N 2.85Å; K120-L123 HydrophobicContact CB-CB 4.32Å; K120-L123 HydrophobicContact CB-CD1 4.28Å; K120-L123 HydrophobicContact CB-CG 4.46Å; K120-L123 HydrophobicContact CG-CB 4.49Å; K120-L123 HydrophobicContact CG-CD1 4.07Å; K120-L123 HydrophobicContact CG-CG 4.15Å; K120-L123 PolarHBondContact O-N 3.47Å; K120-V126 PolarHBondContact N-O 3.45Å | ||
| 121 | P | 92 | Very high | 94.1 | Very high | 91 Ų | 91 | 47 Ų | 47 | 59% | 0.591 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.1 | -175.5 | 23.7 | -33.2 | 0 | 0 | 0 | 112.7 | R119 L123 | R119-P121 WeakPolarHBondContact O-CD 3.48Å; P121-L123 VanDerWaalsContact C-N 3.26Å; P121-L123 PolarHBondContact O-N 3.46Å |
| 122 | D | 91.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.7 | 178.4 | -60.8 | -14.5 | 0 | 0 | 0 | 113.5 | P75 K76 N79 R83 K120 | P75-D122 CarbonylContact C-O 3.32Å; P75-D122 HydrophobicContact CB-CB 3.94Å; K76-D122 WeakPolarHBondContact CG-O 3.04Å; K76-D122 PolarHBondContact N-O 3.37Å; N79-D122 PolarHBondContact ND2-OD1 2.91Å; R83-D122 IonicContact CZ-OD2 3.18Å; R83-D122 IonicContact NE-OD2 3.57Å; R83-D122 PolarHBondContact NE-OD2 2.9Å; R83-D122 IonicContact NH2-OD2 2.72Å; R83-D122 PolarHBondContact NH2-OD2 3.31Å; K120-D122 VanDerWaalsContact C-N 3.26Å; K120-D122 HydrophobicContact CG-CB 4.34Å; K120-D122 PolarHBondContact O-N 2.85Å |
| 123 | L | 93.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -109.8 | 128.1 | -168 | -64.1 | 175.1 | 0 | 0 | 0 | 111 | K73 R83 C85 W99 K120 P121 G125 V126 | K73-L123 HydrophobicContact CB-CD2 3.7Å; R83-L123 HydrophobicContact CB-CD1 3.96Å; R83-L123 HydrophobicContact CB-CD2 4.14Å; R83-L123 HydrophobicContact CB-CG 4.43Å; R83-L123 HydrophobicContact CG-CD1 4.37Å; R83-L123 HydrophobicContact CG-CD2 4.14Å; R83-L123 HydrophobicContact CG-CG 4.39Å; C85-L123 WeakPolarHBondContact SG-CD1 3.23Å; W99-L123 HydrophobicContact CB-CD1 4.36Å; K120-L123 HydrophobicContact CB-CB 4.32Å; K120-L123 HydrophobicContact CB-CD1 4.28Å; K120-L123 HydrophobicContact CB-CG 4.46Å; K120-L123 HydrophobicContact CG-CB 4.49Å; K120-L123 HydrophobicContact CG-CD1 4.07Å; K120-L123 HydrophobicContact CG-CG 4.15Å; K120-L123 PolarHBondContact O-N 3.47Å; P121-L123 VanDerWaalsContact C-N 3.26Å; P121-L123 PolarHBondContact O-N 3.46Å; L123-G125 PolarHBondContact O-N 3.46Å; L123-V126 HydrophobicContact CB-CB 3.79Å; L123-V126 HydrophobicContact CB-CG2 3.64Å; L123-V126 HydrophobicContact CD1-CB 4.22Å; L123-V126 HydrophobicContact CD1-CG1 4.32Å; L123-V126 HydrophobicContact CD1-CG2 3.99Å; L123-V126 HydrophobicContact CG-CG2 4.44Å |
| 124 | I | 92 | Very high | 93.6 | Very high | 128 Ų | 128 | 53 Ų | 53 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 130.9 | 173.2 | -164 | 77.1 | 0 | 0 | 0 | 110.1 | V126 | I124-V126 PolarHBondContact O-N 3.27Å; I124-V126 VanDerWaalsContact O-N 3.16Å |
| 125 | G | 90.7 | Very high | 93.4 | Very high | 59 Ų | 59 | 55 Ų | 55 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -3.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L123 K127 | L123-G125 PolarHBondContact O-N 3.46Å; G125-K127 PolarHBondContact O-N 2.88Å |
| 126 | V | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | trans | -92.3 | 95 | -178.7 | -173.2 | 0 | 0 | 0 | 0 | 110 | K73 V97 W99 K120 L123 I124 | K73-V126 HydrophobicContact CD-CG2 3.96Å; V97-V126 HydrophobicContact CB-CG2 4.3Å; V97-V126 HydrophobicContact CG1-CG2 3.99Å; V97-V126 WeakPolarHBondContact O-CG1 3.28Å; W99-V126 HydrophobicContact CB-CG1 3.97Å; W99-V126 HydrophobicContact CG-CG1 4.2Å; K120-V126 PolarHBondContact N-O 3.45Å; L123-V126 HydrophobicContact CB-CB 3.79Å; L123-V126 HydrophobicContact CB-CG2 3.64Å; L123-V126 HydrophobicContact CD1-CB 4.22Å; L123-V126 HydrophobicContact CD1-CG1 4.32Å; L123-V126 HydrophobicContact CD1-CG2 3.99Å; L123-V126 HydrophobicContact CG-CG2 4.44Å; I124-V126 PolarHBondContact O-N 3.27Å; I124-V126 VanDerWaalsContact O-N 3.16Å | ||
| 127 | K | 92.8 | Very high | 92.9 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | trans | -98.7 | -6.1 | -173.7 | -63.7 | -179.2 | -177.8 | 178.2 | 0 | 114.2 | G118 R119 G125 | G118-K127 CarbonylContact C-O 3.59Å; G118-K127 PolarHBondContact N-O 3.49Å; G118-K127 CarbonylContact O-C 3.57Å; G118-K127 VanDerWaalsContact O-C 3.32Å; R119-K127 PolarHBondContact N-O 3.35Å; G125-K127 PolarHBondContact O-N 2.88Å | ||
| 128 | I | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.3 | -166.3 | -38.6 | 175.3 | 0 | 0 | 0 | 110.2 | P56 I57 L90 T96 A98 W99 V115 E116 G118 | P56-I128 HydrophobicContact CB-CD1 3.5Å; P56-I128 VanDerWaalsContact CB-CD1 3.5Å; P56-I128 HydrophobicContact CB-CG1 4.44Å; P56-I128 HydrophobicContact CG-CD1 3.48Å; P56-I128 VanDerWaalsContact CG-CD1 3.48Å; P56-I128 HydrophobicContact CG-CG1 3.91Å; I57-I128 HydrophobicContact CD1-CD1 4.43Å; I57-I128 HydrophobicContact CD1-CG2 3.39Å; I57-I128 HydrophobicContact CG1-CD1 4.08Å; I57-I128 HydrophobicContact CG1-CG2 4.13Å; L90-I128 HydrophobicContact CD1-CD1 4.31Å; T96-I128 HydrophobicContact CG2-CD1 4.45Å; T96-I128 WeakPolarHBondContact OG1-CD1 3.25Å; A98-I128 VanDerWaalsContact CA-O 3.27Å; A98-I128 WeakPolarHBondContact CA-O 3.44Å; W99-I128 PolarHBondContact N-O 2.94Å; W99-I128 VanDerWaalsContact N-O 3.08Å; V115-I128 HydrophobicContact CB-CG2 4.44Å; V115-I128 HydrophobicContact CG1-CB 4.03Å; V115-I128 HydrophobicContact CG1-CG2 3.06Å; E116-I128 WeakPolarHBondContact O-CG2 3.36Å; G118-I128 CarbonylContact O-C 3.45Å; G118-I128 PolarHBondContact O-N 2.85Å |
| 129 | R | 95.5 | Very high | 92.6 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 150.4 | 177.8 | 74.2 | -179.2 | -174.4 | -165.2 | -2.8 | 111.4 | W99 V115 E116 | W99-R129 HydrophobicContact CD2-CB 4.14Å; W99-R129 VanDerWaalsContact CE2-CB 3.43Å; W99-R129 HydrophobicContact CH2-CB 4.44Å; W99-R129 HydrophobicContact CZ2-CB 3.61Å; W99-R129 HydrophobicContact CZ2-CG 4.42Å; W99-R129 WeakPolarHBondContact O-CA 3.17Å; V115-R129 WeakPolarHBondContact CA-O 3.41Å; V115-R129 WeakPolarHBondContact CG1-O 3.37Å; E116-R129 VanDerWaalsContact CD-NE 3.27Å; E116-R129 HydrophobicContact CG-CG 3.6Å; E116-R129 PolarHBondContact N-O 3.13Å; E116-R129 PolarHBondContact O-N 3.24Å; E116-R129 IonicContact OE1-CZ 2.78Å; E116-R129 IonicContact OE1-NE 3.41Å; E116-R129 PolarHBondContact OE1-NE 3.32Å; E116-R129 IonicContact OE1-NH2 3.22Å; E116-R129 PolarHBondContact OE1-NH2 2.99Å; E116-R129 IonicContact OE2-NH2 2.65Å; E116-R129 PolarHBondContact OE2-NH2 3.48Å |
| 130 | V | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.4 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | A98 W99 I100 P101 V113 V115 C137 | A98-V130 HydrophobicContact CB-CG2 3.71Å; W99-V130 PolarHBondContact O-N 3.4Å; I100-V130 HydrophobicContact CG1-CG2 4.48Å; P101-V130 WeakPolarHBondContact CD-O 3.1Å; P101-V130 VanDerWaalsContact CG-O 3.23Å; P101-V130 WeakPolarHBondContact CG-O 3.45Å; V113-V130 HydrophobicContact CB-CG1 3.94Å; V113-V130 HydrophobicContact CG1-CG1 4.01Å; V115-V130 HydrophobicContact CG2-CG2 4.48Å; V130-C137 HydrophobicContact CG1-CB 4.42Å; V130-C137 WeakPolarHBondContact CG1-SG 3.44Å |
| 131 | I | 95.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 126.4 | 174.5 | -55.5 | -174.4 | 0 | 0 | 0 | 108.9 | Q62 L114 E116 K134 C137 | Q62-I131 HydrophobicContact CB-CD1 4.48Å; L114-I131 HydrophobicContact CB-CB 4.43Å; L114-I131 HydrophobicContact CD2-CD1 3.85Å; L114-I131 HydrophobicContact CG-CD1 3.98Å; L114-I131 WeakPolarHBondContact O-CB 3.12Å; L114-I131 PolarHBondContact O-N 3.01Å; E116-I131 HydrophobicContact CB-CD1 3.96Å; E116-I131 HydrophobicContact CB-CG1 4.23Å; E116-I131 HydrophobicContact CG-CD1 3.87Å; E116-I131 HydrophobicContact CG-CG1 3.7Å; E116-I131 WeakPolarHBondContact OE1-CG1 3.48Å; I131-K134 HydrophobicContact CG2-CB 4.25Å; I131-C137 WeakPolarHBondContact O-CB 3.18Å |
| 132 | R | 91.2 | Very high | 90.8 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 18% | 0.177 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 150.8 | 175.9 | -67.7 | -70.6 | -163.9 | 136.5 | 12.5 | 111.3 | P101 G104 K134 A138 | P101-R132 HydrophobicContact CG-CG 3.87Å; P101-R132 PolarHBondContact O-NE 3.04Å; P101-R132 PolarHBondContact O-NH2 2.88Å; G104-R132 PolarHBondContact O-NH1 2.91Å; G104-R132 PolarHBondContact O-NH2 3.46Å; R132-K134 VanDerWaalsContact C-N 3.3Å; R132-A138 WeakPolarHBondContact CD-O 3.41Å; R132-A138 PolarHBondContact NH1-O 3.06Å |
| 133 | G | 90.5 | Very high | 89.9 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 15.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | C137 | G133-C137 VanDerWaalsContact CA-O 3.24Å; G133-C137 WeakPolarHBondContact CA-O 3.33Å; G133-C137 PolarHBondContact N-O 2.83Å |
| 134 | K | 91.9 | Very high | 88.4 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -135.8 | 138.9 | -178.3 | -168.6 | 66.5 | -176.6 | -179.1 | 0 | 111.4 | L114 I131 R132 D136 C137 | L114-K134 HydrophobicContact CB-CB 4.25Å; L114-K134 HydrophobicContact CB-CG 3.75Å; L114-K134 HydrophobicContact CD2-CD 4.45Å; L114-K134 HydrophobicContact CD2-CG 3.65Å; L114-K134 HydrophobicContact CG-CG 4.33Å; I131-K134 HydrophobicContact CG2-CB 4.25Å; R132-K134 VanDerWaalsContact C-N 3.3Å; K134-D136 PolarHBondContact O-N 3.35Å; K134-C137 PolarHBondContact N-O 3.33Å; K134-C137 WeakPolarHBondContact O-CB 3.49Å; K134-C137 PolarHBondContact O-N 3.28Å |
| 135 | L | 94 | Very high | 86.8 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 40% | 0.398 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -128.5 | -170.4 | -56.9 | 178.1 | 0 | 0 | 0 | 109.4 | R64 Q112 L114 C137 | R64-L135 HydrophobicContact CG-CD1 3.98Å; Q112-L135 HydrophobicContact CB-CB 4.44Å; Q112-L135 HydrophobicContact CB-CD1 4.11Å; Q112-L135 VanDerWaalsContact O-CB 3.23Å; Q112-L135 WeakPolarHBondContact O-CB 3.48Å; L114-L135 HydrophobicContact CB-CD1 4.35Å; L135-C137 VanDerWaalsContact C-N 3.32Å; L135-C137 PolarHBondContact O-N 2.93Å |
| 136 | D | 92.8 | Very high | 85.3 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.9 | -174.4 | -55.6 | -19.5 | 0 | 0 | 0 | 112.6 | L107 S111 Q112 K134 A138 | L107-D136 HydrophobicContact CD2-CB 4.42Å; S111-D136 WeakPolarHBondContact CA-OD2 3.26Å; Q112-D136 PolarHBondContact N-OD2 3.04Å; Q112-D136 WeakPolarHBondContact O-CB 3.23Å; Q112-D136 PolarHBondContact O-N 3.15Å; Q112-D136 VanDerWaalsContact O-N 3.16Å; K134-D136 PolarHBondContact O-N 3.35Å; D136-A138 PolarHBondContact O-N 3.48Å |
| 137 | C | 87.6 | Confident | 84 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 99.5 | 175.8 | -88.2 | 0 | 0 | 0 | 0 | 111.8 | L107 V130 I131 G133 K134 L135 | L107-C137 VanDerWaalsContact CD1-SG 3.53Å; L107-C137 VanDerWaalsContact CD2-SG 3.5Å; V130-C137 HydrophobicContact CG1-CB 4.42Å; V130-C137 WeakPolarHBondContact CG1-SG 3.44Å; I131-C137 WeakPolarHBondContact O-CB 3.18Å; G133-C137 VanDerWaalsContact CA-O 3.24Å; G133-C137 WeakPolarHBondContact CA-O 3.33Å; G133-C137 PolarHBondContact N-O 2.83Å; K134-C137 PolarHBondContact N-O 3.33Å; K134-C137 WeakPolarHBondContact O-CB 3.49Å; K134-C137 PolarHBondContact O-N 3.28Å; L135-C137 VanDerWaalsContact C-N 3.32Å; L135-C137 PolarHBondContact O-N 2.93Å |
| 138 | A | 89.8 | Confident | 82.8 | Confident | 42 Ų | 42 | 72 Ų | 72 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R132 D136 | R132-A138 WeakPolarHBondContact CD-O 3.41Å; R132-A138 PolarHBondContact NH1-O 3.06Å; D136-A138 PolarHBondContact O-N 3.48Å |
| 139 | P | 89.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 76.5 Ų | 76.5 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 158.4 | 173.2 | 29.7 | -34.4 | 0 | 0 | 0 | 111.3 | I141 | P139-I141 PolarHBondContact O-N 2.92Š|
| 140 | V | 86.6 | Confident | 80.9 | Confident | 52 Ų | 52 | 78 Ų | 78 | 32% | 0.315 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 118.2 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | K142 | V140-K142 PolarHBondContact O-N 3.26Š|
| 141 | I | 80.5 | Confident | 80 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | trans | -69.5 | 114.1 | 174.9 | -57.6 | 169.3 | 0 | 0 | 0 | 107.2 | P139 | P139-I141 PolarHBondContact O-N 2.92Š| ||
| 142 | K | 75.9 | Confident | 79 | Confident | 176 Ų | 176 | 83.5 Ų | 83.5 | 77% | 0.765 | 44% | 0.444 | S | S | * | . | trans | -102.7 | 134.8 | 171.7 | -66.4 | -177.4 | 178.9 | -179 | 0 | 108.4 | V140 K144 | V140-K142 PolarHBondContact O-N 3.26Å; K142-K144 PolarHBondContact O-N 3.49Å | ||
| 143 | D | 71.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | trans | -59.3 | 126.8 | 170 | -61.7 | -30.4 | 0 | 0 | 0 | 108.8 | A145 T163 | D143-A145 PolarHBondContact O-N 3.4Å; D143-T163 HydrophobicContact CB-CG2 4.38Å | ||
| 144 | K | 61.9 | Low | 78 | Confident | 165 Ų | 165 | 98.1 Ų | 98.1 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | trans | -67.7 | 100.9 | 170.6 | -71.7 | -176.2 | -179.4 | -179.9 | 0 | 106.9 | K142 A146 | K142-K144 PolarHBondContact O-N 3.49Å; K144-A146 PolarHBondContact O-N 2.91Å | ||
| 145 | A | 58.3 | Low | 77.4 | Confident | 67 Ų | 67 | 95.5 Ų | 95.5 | 55% | 0.554 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 103.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D143 I161 | D143-A145 PolarHBondContact O-N 3.4Å; A145-I161 HydrophobicContact CB-CG2 4.2Å |
| 146 | A | 60.9 | Low | 76.6 | Confident | 29 Ų | 29 | 97.7 Ų | 97.7 | 24% | 0.24 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K144 R162 L164 | K144-A146 PolarHBondContact O-N 2.91Å; A146-R162 PolarHBondContact N-O 3.03Å; A146-R162 CarbonylContact O-C 3.44Å; A146-R162 WeakPolarHBondContact O-CA 3.47Å; A146-R162 PolarHBondContact O-N 2.9Å; A146-L164 HydrophobicContact CB-CB 4.49Å; A146-L164 HydrophobicContact CB-CD1 3.3Å; A146-L164 HydrophobicContact CB-CD2 4.46Å; A146-L164 HydrophobicContact CB-CG 3.48Å; A146-L164 VanDerWaalsContact CB-CG 3.48Å |
| 147 | Y | 66.8 | Low | 75.4 | Confident | 136 Ų | 136 | 100 Ų | 100 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.6 | 169.1 | 54.2 | -85.7 | 0 | 0 | 0 | 107.8 | I149 K159 | Y147-I149 HydrophobicContact CD2-CD1 4.35Å; Y147-I149 HydrophobicContact CD2-CG1 3.89Å; Y147-I149 HydrophobicContact CE2-CD1 4.18Å; Y147-I149 HydrophobicContact CE2-CG1 4.21Å; Y147-K159 HydrophobicContact CD2-CD 4.44Å; Y147-K159 HydrophobicContact CD2-CG 4.27Å; Y147-K159 HydrophobicContact CG-CD 4.26Å; Y147-K159 HydrophobicContact CG-CG 4.17Å |
| 148 | T | 67.1 | Low | 74.8 | Confident | 42 Ų | 42 | 106.7 Ų | 106.7 | 26% | 0.258 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.9 | 160.5 | -56.4 | 0 | 0 | 0 | 0 | 106.9 | R150 T160 R162 | T148-R150 HydrophobicContact CG2-CG 4.13Å; T148-T160 PolarHBondContact N-O 3.07Å; T148-T160 PolarHBondContact O-N 2.99Å; T148-R162 WeakPolarHBondContact OG1-CD 3.23Å; T148-R162 PolarHBondContact OG1-NH1 3.33Å |
| 149 | I | 74.8 | Confident | 74 | Confident | 96 Ų | 96 | 111.8 Ų | 111.8 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.8 | 171.4 | -52.1 | 176.5 | 0 | 0 | 0 | 106.4 | Y147 L157 | Y147-I149 HydrophobicContact CD2-CD1 4.35Å; Y147-I149 HydrophobicContact CD2-CG1 3.89Å; Y147-I149 HydrophobicContact CE2-CD1 4.18Å; Y147-I149 HydrophobicContact CE2-CG1 4.21Å; I149-L157 HydrophobicContact CG2-CB 3.87Å; I149-L157 HydrophobicContact CG2-CD2 3.36Å; I149-L157 HydrophobicContact CG2-CG 4.09Å |
| 150 | R | 76 | Confident | 73 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.1 | 173.2 | -68.2 | -175.1 | 173.6 | 179.3 | -7 | 109 | T148 G152 K158 | T148-R150 HydrophobicContact CG2-CG 4.13Å; R150-G152 PolarHBondContact O-N 3.46Å; R150-K158 PolarHBondContact N-O 2.69Å; R150-K158 PolarHBondContact O-N 3.33Å |
| 151 | L | 77.9 | Confident | 72 | Confident | 129 Ų | 129 | 114.1 Ų | 114.1 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.4 | 166.7 | -99 | 136.1 | 0 | 0 | 0 | 108.9 | G155 L157 | L151-G155 WeakPolarHBondContact CD2-O 3.33Å; L151-L157 HydrophobicContact CD1-CD2 4.43Å; L151-L157 HydrophobicContact CG-CD2 4.07Å |
| 152 | G | 74.2 | Confident | 70.9 | Confident | 23 Ų | 23 | 114 Ų | 114 | 24% | 0.237 | 56% | 0.564 | C | S | . | * | trans | -77.4 | 162 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R150 N154 G155 L156 | R150-G152 PolarHBondContact O-N 3.46Å; G152-N154 PolarHBondContact O-N 2.94Å; G152-G155 PolarHBondContact O-N 2.86Å; G152-L156 PolarHBondContact N-O 3.3Å | ||
| 153 | R | 79.5 | Confident | 69.8 | Low | 260 Ų | 260 | 110.4 Ų | 110.4 | 98% | 0.981 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -24.5 | 177 | -83.2 | -176.9 | 176.7 | 173.9 | -2.2 | 114.5 | G155 | R153-G155 VanDerWaalsContact C-N 3.34Š|
| 154 | N | 81.4 | Confident | 69 | Low | 145 Ų | 145 | 110.4 Ų | 110.4 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 16 | -179 | -55.4 | 14.7 | 0 | 0 | 0 | 112.8 | G152 L156 | G152-N154 PolarHBondContact O-N 2.94Å; N154-L156 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact O-N 3.14Å |
| 155 | G | 79.1 | Confident | 68.5 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 75.2 | -6.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L151 G152 R153 | L151-G155 WeakPolarHBondContact CD2-O 3.33Å; G152-G155 PolarHBondContact O-N 2.86Å; R153-G155 VanDerWaalsContact C-N 3.34Å |
| 156 | L | 76.2 | Confident | 68.2 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | trans | -83.7 | 134.3 | 179.4 | -69.9 | 168.6 | 0 | 0 | 0 | 112.4 | G152 N154 K158 | G152-L156 PolarHBondContact N-O 3.3Å; N154-L156 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact O-N 3.14Å; L156-K158 PolarHBondContact O-N 3.43Å | ||
| 157 | L | 68.3 | Low | 67.5 | Low | 123 Ų | 123 | 109 Ų | 109 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67 | 114.4 | 171.7 | -71.5 | 163.1 | 0 | 0 | 0 | 110 | I149 L151 | I149-L157 HydrophobicContact CG2-CB 3.87Å; I149-L157 HydrophobicContact CG2-CD2 3.36Å; I149-L157 HydrophobicContact CG2-CG 4.09Å; L151-L157 HydrophobicContact CD1-CD2 4.43Å; L151-L157 HydrophobicContact CG-CD2 4.07Å |
| 158 | K | 74.1 | Confident | 66.6 | Low | 142 Ų | 142 | 112 Ų | 112 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.4 | 172 | -72.2 | -171.3 | 177.6 | -174.2 | 0 | 110 | R150 L156 T160 | R150-K158 PolarHBondContact N-O 2.69Å; R150-K158 PolarHBondContact O-N 3.33Å; L156-K158 PolarHBondContact O-N 3.43Å; K158-T160 PolarHBondContact O-N 2.97Å |
| 159 | K | 73.6 | Confident | 65.5 | Low | 149 Ų | 149 | 115.3 Ų | 115.3 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78 | 102.1 | 170.6 | -164.3 | 176.8 | -173.6 | 171.8 | 0 | 108.5 | Y147 | Y147-K159 HydrophobicContact CD2-CD 4.44Å; Y147-K159 HydrophobicContact CD2-CG 4.27Å; Y147-K159 HydrophobicContact CG-CD 4.26Å; Y147-K159 HydrophobicContact CG-CG 4.17Å |
| 160 | T | 68.6 | Low | 64 | Low | 63 Ų | 63 | 113.5 Ų | 113.5 | 39% | 0.387 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.6 | 174 | -54 | 0 | 0 | 0 | 0 | 108.6 | T148 K158 R162 | T148-T160 PolarHBondContact N-O 3.07Å; T148-T160 PolarHBondContact O-N 2.99Å; K158-T160 PolarHBondContact O-N 2.97Å; T160-R162 PolarHBondContact O-N 2.98Å |
| 161 | I | 64.6 | Low | 62.1 | Low | 127 Ų | 127 | 116.3 Ų | 116.3 | 65% | 0.651 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 113.9 | 173.1 | -59.6 | 172.2 | 0 | 0 | 0 | 107 | A145 | A145-I161 HydrophobicContact CB-CG2 4.2Å |
| 162 | R | 57.8 | Low | 60 | Low | 120 Ų | 120 | 119.7 Ų | 119.7 | 45% | 0.453 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.9 | 160.6 | -77.1 | -167.4 | 169.7 | 160.6 | -26.3 | 106.7 | A146 T148 T160 L164 | A146-R162 PolarHBondContact N-O 3.03Å; A146-R162 CarbonylContact O-C 3.44Å; A146-R162 WeakPolarHBondContact O-CA 3.47Å; A146-R162 PolarHBondContact O-N 2.9Å; T148-R162 WeakPolarHBondContact OG1-CD 3.23Å; T148-R162 PolarHBondContact OG1-NH1 3.33Å; T160-R162 PolarHBondContact O-N 2.98Å; R162-L164 VanDerWaalsContact C-N 3.28Å; R162-L164 PolarHBondContact O-N 3.29Å |
| 163 | T | 53.7 | Low | 58.5 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.7 | 97 | 165.4 | -37.4 | 0 | 0 | 0 | 0 | 106.3 | D143 S165 | D143-T163 HydrophobicContact CB-CG2 4.38Å; T163-S165 PolarHBondContact O-N 2.98Å; T163-S165 VanDerWaalsContact O-N 3.13Å |
| 164 | L | 55.1 | Low | 56.2 | Low | 99 Ų | 99 | 111.8 Ų | 111.8 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | trans | -64.4 | 117 | 164 | -71.6 | -179.4 | 0 | 0 | 0 | 104.6 | A146 R162 A166 | A146-L164 HydrophobicContact CB-CB 4.49Å; A146-L164 HydrophobicContact CB-CD1 3.3Å; A146-L164 HydrophobicContact CB-CD2 4.46Å; A146-L164 HydrophobicContact CB-CG 3.48Å; A146-L164 VanDerWaalsContact CB-CG 3.48Å; R162-L164 VanDerWaalsContact C-N 3.28Å; R162-L164 PolarHBondContact O-N 3.29Å; L164-A166 PolarHBondContact O-N 3.4Å | ||
| 165 | S | 49.5 | Very low | 54.1 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 78% | 0.783 | 59% | 0.589 | S | S | * | * | trans | -44 | 120.8 | 168.5 | 44.3 | 0 | 0 | 0 | 0 | 107.7 | T163 | T163-S165 PolarHBondContact O-N 2.98Å; T163-S165 VanDerWaalsContact O-N 3.13Å | ||
| 166 | A | 53.3 | Low | 52 | Low | 31 Ų | 31 | 109.7 Ų | 109.7 | 26% | 0.256 | 59% | 0.586 | S | S | . | * | trans | -44.1 | 149.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L164 Q168 | L164-A166 PolarHBondContact O-N 3.4Å; A166-Q168 PolarHBondContact O-N 3.41Å | ||
| 167 | P | 45.8 | Very low | 50.3 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | trans | -49.4 | 125 | 170.8 | 21.4 | -31.9 | 0 | 0 | 0 | 108.4 | S169 S170 | P167-S169 CarbonylContact O-C 3.56Å; P167-S169 PolarHBondContact O-N 3.37Å; P167-S170 PolarHBondContact O-N 2.83Å | ||
| 168 | Q | 47.4 | Very low | 48.9 | Very low | 197 Ų | 197 | 108.2 Ų | 108.2 | 92% | 0.921 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -64.1 | 14.3 | 175.9 | -69.7 | -154 | -4.1 | 0 | 0 | 113.3 | A166 S170 | A166-Q168 PolarHBondContact O-N 3.41Å; Q168-S170 PolarHBondContact O-N 3.5Å |
| 169 | S | 43.8 | Very low | 47.1 | Very low | 113 Ų | 113 | 104.9 Ų | 104.9 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | trans | -76.2 | 52.1 | 151.2 | -160.9 | 0 | 0 | 0 | 0 | 110.6 | P167 | P167-S169 CarbonylContact O-C 3.56Å; P167-S169 PolarHBondContact O-N 3.37Å | ||
| 170 | S | 43.7 | Very low | 45.6 | Very low | 58 Ų | 58 | 103.2 Ų | 103.2 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | trans | -118 | 89.4 | 146.6 | -81.1 | 0 | 0 | 0 | 0 | 104 | P167 Q168 K172 | P167-S170 PolarHBondContact O-N 2.83Å; Q168-S170 PolarHBondContact O-N 3.5Å; S170-K172 PolarHBondContact O-N 3.49Å | ||
| 171 | K | 37 | Very low | 44.4 | Very low | 188 Ų | 188 | 108.2 Ų | 108.2 | 82% | 0.817 | 60% | 0.604 | S | S | * | * | -41 | 111.3 | 128.9 | -110.6 | 179.1 | -178.8 | 175.3 | 0 | 103.1 | V173 | K171-V173 PolarHBondContact O-N 2.95Š| |||
| 172 | K | 33.8 | Very low | 43.4 | Very low | 200 Ų | 200 | 113.7 Ų | 113.7 | 87% | 0.87 | 62% | 0.617 | S | S | * | * | trans | -53.7 | 88.9 | 169.5 | -164.4 | 178.3 | -170.7 | 178.4 | 0 | 103.3 | S170 G174 | S170-K172 PolarHBondContact O-N 3.49Å; K172-G174 PolarHBondContact O-N 3.32Å | ||
| 173 | V | 41.3 | Very low | 43.3 | Very low | 85 Ų | 85 | 111.7 Ų | 111.7 | 52% | 0.515 | 61% | 0.613 | S | S | . | * | trans | -69.9 | 82.5 | 164.7 | 174.4 | 0 | 0 | 0 | 0 | 99.7 | N106 K171 I175 | N106-V173 HydrophobicContact CB-CG1 4.19Å; K171-V173 PolarHBondContact O-N 2.95Å; V173-I175 PolarHBondContact O-N 3.36Å | ||
| 174 | G | 31.6 | Very low | 43.8 | Very low | 32 Ų | 32 | 114.6 Ų | 114.6 | 33% | 0.33 | 62% | 0.617 | S | S | . | * | trans | -50 | 120.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 103.4 | K172 T176 | K172-G174 PolarHBondContact O-N 3.32Å; G174-T176 PolarHBondContact O-N 2.8Å; G174-T176 PolarHBondContact O-OG1 3.44Å | ||
| 175 | I | 37.1 | Very low | 44.2 | Very low | 76 Ų | 76 | 114 Ų | 114 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | trans | -70.8 | 69.7 | 148.5 | -50.9 | 126.3 | 0 | 0 | 0 | 103.4 | K84 V173 S177 | K84-I175 VanDerWaalsContact NZ-CG2 3.34Å; V173-I175 PolarHBondContact O-N 3.36Å; I175-S177 PolarHBondContact O-N 3.24Å | ||
| 176 | T | 34.8 | Very low | 45.3 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | trans | -65.7 | 88.6 | 155.2 | -30.7 | 0 | 0 | 0 | 0 | 101 | G174 D178 S179 | G174-T176 PolarHBondContact O-N 2.8Å; G174-T176 PolarHBondContact O-OG1 3.44Å; T176-D178 PolarHBondContact O-N 3Å; T176-S179 VanDerWaalsContact CG2-CB 3.41Å; T176-S179 VanDerWaalsContact CG2-N 3.27Å; T176-S179 WeakPolarHBondContact CG2-OG 3.25Å | ||
| 177 | S | 40.2 | Very low | 46.7 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | trans | -43.3 | 104.6 | 142.1 | 43.3 | 0 | 0 | 0 | 0 | 103.5 | I175 S179 | I175-S177 PolarHBondContact O-N 3.24Å; S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 PolarHBondContact O-N 2.85Å | ||
| 178 | D | 39.3 | Very low | 48.8 | Very low | 121 Ų | 121 | 114 Ų | 114 | 65% | 0.647 | 60% | 0.598 | S | S | * | * | trans | -22.8 | 92.8 | -166.5 | -61.9 | -54.5 | 0 | 0 | 0 | 109.1 | T176 P180 | T176-D178 PolarHBondContact O-N 3Å; D178-P180 VanDerWaalsContact O-CD 3.28Å; D178-P180 WeakPolarHBondContact O-CD 3.37Å | ||
| 179 | S | 36.6 | Very low | 50.8 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 51% | 0.51 | 56% | 0.557 | S | S | . | * | trans | -62.8 | 110.2 | 167.3 | 57 | 0 | 0 | 0 | 0 | 98.1 | T176 S177 Q181 | T176-S179 VanDerWaalsContact CG2-CB 3.41Å; T176-S179 VanDerWaalsContact CG2-N 3.27Å; T176-S179 WeakPolarHBondContact CG2-OG 3.25Å; S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 PolarHBondContact O-N 2.85Å; S179-Q181 WeakPolarHBondContact O-CA 3.33Å; S179-Q181 PolarHBondContact O-N 3.4Å | ||
| 180 | P | 41.4 | Very low | 52.9 | Low | 114 Ų | 114 | 100.7 Ų | 100.7 | 74% | 0.74 | 53% | 0.525 | S | S | * | . | trans | -44.5 | 112.7 | -164.2 | 16.8 | -31 | 0 | 0 | 0 | 104.1 | D178 R182 | D178-P180 VanDerWaalsContact O-CD 3.28Å; D178-P180 WeakPolarHBondContact O-CD 3.37Å; P180-R182 VanDerWaalsContact C-N 3.35Å; P180-R182 VanDerWaalsContact O-CA 3.31Å; P180-R182 WeakPolarHBondContact O-CA 3.36Å; P180-R182 PolarHBondContact O-N 3.49Å | ||
| 181 | Q | 44.7 | Very low | 55.1 | Low | 167 Ų | 167 | 102.6 Ų | 102.6 | 78% | 0.78 | 53% | 0.53 | S | S | * | . | trans | -41.9 | 112.3 | -169.4 | -77.1 | -170.7 | -13.9 | 0 | 0 | 103.5 | S179 E183 | S179-Q181 WeakPolarHBondContact O-CA 3.33Å; S179-Q181 PolarHBondContact O-N 3.4Å; Q181-E183 VanDerWaalsContact O-CA 3.3Å; Q181-E183 WeakPolarHBondContact O-CA 3.31Å; Q181-E183 WeakPolarHBondContact O-CG 3.36Å; Q181-E183 PolarHBondContact O-N 2.85Å | ||
| 182 | R | 44.3 | Very low | 57.6 | Low | 242 Ų | 242 | 95.6 Ų | 95.6 | 91% | 0.913 | 50% | 0.501 | S | S | * | . | trans | -59.5 | 96.9 | -166.6 | 178.8 | -177.3 | -178.8 | -167.1 | 0.6 | 103.4 | P180 K184 | P180-R182 VanDerWaalsContact C-N 3.35Å; P180-R182 VanDerWaalsContact O-CA 3.31Å; P180-R182 WeakPolarHBondContact O-CA 3.36Å; P180-R182 PolarHBondContact O-N 3.49Å; R182-K184 PolarHBondContact O-N 3.14Å; R182-K184 VanDerWaalsContact O-N 3.12Å | ||
| 183 | E | 54.9 | Low | 60.4 | Low | 79 Ų | 79 | 86.3 Ų | 86.3 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | trans | -58.6 | 131.6 | -164.9 | -70 | -174.9 | -169.5 | 0 | 0 | 102.8 | Q181 V185 I242 | Q181-E183 VanDerWaalsContact O-CA 3.3Å; Q181-E183 WeakPolarHBondContact O-CA 3.31Å; Q181-E183 WeakPolarHBondContact O-CG 3.36Å; Q181-E183 PolarHBondContact O-N 2.85Å; E183-V185 VanDerWaalsContact O-CG2 3.24Å; E183-V185 WeakPolarHBondContact O-CG2 3.33Å; E183-V185 PolarHBondContact O-N 3.25Å; E183-I242 VanDerWaalsContact OE1-CD1 3.29Å; E183-I242 WeakPolarHBondContact OE1-CD1 3.26Å; E183-I242 PolarHBondContact OE2-N 3.45Å | ||
| 184 | K | 63.4 | Low | 62.7 | Low | 159 Ų | 159 | 85 Ų | 85 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | trans | -64.4 | 90.3 | 179.1 | -172.2 | 178.4 | 179.1 | -176.4 | 0 | 105.3 | R182 L186 T187 | R182-K184 PolarHBondContact O-N 3.14Å; R182-K184 VanDerWaalsContact O-N 3.12Å; K184-L186 PolarHBondContact O-N 2.92Å; K184-L186 VanDerWaalsContact O-N 3.12Å; K184-T187 VanDerWaalsContact O-CG2 3.23Å; K184-T187 WeakPolarHBondContact O-CG2 3.34Å; K184-T187 PolarHBondContact O-N 3.29Å | ||
| 185 | V | 64 | Low | 65.6 | Low | 88 Ų | 88 | 86 Ų | 86 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -60.6 | -30.9 | -169.5 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | E183 T187 N190 L243 | E183-V185 VanDerWaalsContact O-CG2 3.24Å; E183-V185 WeakPolarHBondContact O-CG2 3.33Å; E183-V185 PolarHBondContact O-N 3.25Å; V185-T187 PolarHBondContact O-N 3.37Å; V185-N190 WeakPolarHBondContact O-CB 3.35Å; V185-N190 PolarHBondContact O-ND2 3.4Å; V185-L243 HydrophobicContact CG1-CD1 4.03Å; V185-L243 HydrophobicContact CG2-CD1 4.49Å |
| 186 | L | 72.1 | Confident | 68.3 | Low | 123 Ų | 123 | 82.7 Ų | 82.7 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | trans | -89.5 | 75.7 | 173.7 | -157.4 | 76.9 | 0 | 0 | 0 | 110.8 | K184 L191 | K184-L186 PolarHBondContact O-N 2.92Å; K184-L186 VanDerWaalsContact O-N 3.12Å; L186-L191 HydrophobicContact CD1-CD1 4.31Å | ||
| 187 | T | 84.2 | Confident | 71.1 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 4% | 0.043 | 43% | 0.434 | C | S | . | . | trans | -90 | 161.3 | 162.1 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | K184 V185 P189 N190 L191 Q239 T241 | K184-T187 VanDerWaalsContact O-CG2 3.23Å; K184-T187 WeakPolarHBondContact O-CG2 3.34Å; K184-T187 PolarHBondContact O-N 3.29Å; V185-T187 PolarHBondContact O-N 3.37Å; T187-P189 VanDerWaalsContact C-N 3.33Å; T187-N190 PolarHBondContact O-N 2.96Å; T187-L191 PolarHBondContact O-N 3.48Å; T187-L191 VanDerWaalsContact O-N 3.08Å; T187-Q239 PolarHBondContact OG1-O 3.29Å; T187-T241 HydrophobicContact CG2-CG2 3.55Å | ||
| 188 | I | 88.7 | Confident | 73.7 | Confident | 101 Ų | 101 | 80.4 Ų | 80.4 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 177.1 | -59.6 | 167.5 | 0 | 0 | 0 | 110.7 | N190 L191 L192 | I188-N190 PolarHBondContact O-N 2.88Å; I188-L191 PolarHBondContact O-N 3.45Å; I188-L192 HydrophobicContact CG2-CD1 4.19Å; I188-L192 WeakPolarHBondContact O-CG 3.11Å; I188-L192 PolarHBondContact O-N 3.36Å; I188-L192 VanDerWaalsContact O-N 3.1Å |
| 189 | P | 88.9 | Confident | 76.3 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 7% | 0.065 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 176.3 | -27.1 | 37.6 | 0 | 0 | 0 | 114.1 | T187 L191 L192 C193 D229 I232 A233 Q239 | T187-P189 VanDerWaalsContact C-N 3.33Å; P189-L191 VanDerWaalsContact C-N 3.27Å; P189-L191 PolarHBondContact O-N 3.28Å; P189-L192 PolarHBondContact O-N 2.92Å; P189-C193 WeakPolarHBondContact O-CB 3.38Å; P189-C193 PolarHBondContact O-N 2.8Å; P189-D229 HydrophobicContact CB-CB 4Å; P189-I232 HydrophobicContact CG-CB 4.48Å; P189-I232 HydrophobicContact CG-CG2 4.07Å; P189-A233 HydrophobicContact CG-CB 4.18Å; P189-Q239 HydrophobicContact CG-CB 4.43Å |
| 190 | N | 89.4 | Confident | 79 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.112 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.7 | -30.3 | -179.4 | -69.9 | 2.7 | 0 | 0 | 0 | 112.4 | V185 T187 I188 S194 T241 G244 | V185-N190 WeakPolarHBondContact O-CB 3.35Å; V185-N190 PolarHBondContact O-ND2 3.4Å; T187-N190 PolarHBondContact O-N 2.96Å; I188-N190 PolarHBondContact O-N 2.88Å; N190-S194 WeakPolarHBondContact O-CB 3.43Å; N190-S194 PolarHBondContact O-N 2.9Å; N190-S194 PolarHBondContact O-OG 2.99Å; N190-T241 PolarHBondContact ND2-OG1 3.42Å; N190-T241 PolarHBondContact OD1-OG1 3.18Å; N190-T241 VanDerWaalsContact OD1-OG1 3.1Å; N190-G244 WeakPolarHBondContact OD1-CA 3.31Å |
| 191 | L | 89.4 | Confident | 81.6 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 174.1 | -176.3 | 68.2 | 0 | 0 | 0 | 111.9 | L186 T187 I188 P189 S194 A195 | L186-L191 HydrophobicContact CD1-CD1 4.31Å; T187-L191 PolarHBondContact O-N 3.48Å; T187-L191 VanDerWaalsContact O-N 3.08Å; I188-L191 PolarHBondContact O-N 3.45Å; P189-L191 VanDerWaalsContact C-N 3.27Å; P189-L191 PolarHBondContact O-N 3.28Å; L191-S194 WeakPolarHBondContact CA-OG 3.44Å; L191-S194 PolarHBondContact O-OG 3.2Å; L191-A195 WeakPolarHBondContact O-CB 3.2Å; L191-A195 PolarHBondContact O-N 3.47Å |
| 192 | L | 90.3 | Very high | 84 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.8 | -69.2 | 173.4 | 0 | 0 | 0 | 111.3 | I188 P189 A195 R196 T225 D229 | I188-L192 HydrophobicContact CG2-CD1 4.19Å; I188-L192 WeakPolarHBondContact O-CG 3.11Å; I188-L192 PolarHBondContact O-N 3.36Å; I188-L192 VanDerWaalsContact O-N 3.1Å; P189-L192 PolarHBondContact O-N 2.92Å; L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 3.46Å; L192-R196 PolarHBondContact O-N 3.47Å; L192-T225 HydrophobicContact CD2-CG2 4.32Å; L192-D229 HydrophobicContact CB-CB 4.05Å; L192-D229 HydrophobicContact CD1-CB 3.84Å |
| 193 | C | 91.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | P189 A195 R196 I197 A251 | P189-C193 WeakPolarHBondContact O-CB 3.38Å; P189-C193 PolarHBondContact O-N 2.8Å; C193-A195 VanDerWaalsContact C-N 3.34Å; C193-A195 PolarHBondContact O-N 3.13Å; C193-R196 WeakPolarHBondContact O-CB 3.39Å; C193-R196 PolarHBondContact O-N 2.83Å; C193-I197 PolarHBondContact O-N 2.84Å; C193-I197 VanDerWaalsContact O-N 3.14Å; C193-A251 VanDerWaalsContact SG-CB 3.56Å |
| 194 | S | 90.8 | Very high | 88.4 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 176 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | N190 L191 R196 I197 A198 | N190-S194 WeakPolarHBondContact O-CB 3.43Å; N190-S194 PolarHBondContact O-N 2.9Å; N190-S194 PolarHBondContact O-OG 2.99Å; L191-S194 WeakPolarHBondContact CA-OG 3.44Å; L191-S194 PolarHBondContact O-OG 3.2Å; S194-R196 VanDerWaalsContact C-N 3.35Å; S194-I197 PolarHBondContact O-N 3.48Å; S194-A198 PolarHBondContact O-N 3.16Å |
| 195 | A | 92.9 | Very high | 90 | Very high | 54 Ų | 54 | 52 Ų | 52 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | L191 L192 C193 A198 A199 | L191-A195 WeakPolarHBondContact O-CB 3.2Å; L191-A195 PolarHBondContact O-N 3.47Å; L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 3.46Å; C193-A195 VanDerWaalsContact C-N 3.34Å; C193-A195 PolarHBondContact O-N 3.13Å; A195-A198 PolarHBondContact O-N 3.1Å; A195-A199 WeakPolarHBondContact O-CB 3.24Å; A195-A199 PolarHBondContact O-N 3.13Å |
| 196 | R | 93.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.1 | -73 | -172 | -80.4 | 151.3 | -9.6 | 112.7 | L192 C193 S194 A198 A199 S200 A222 D226 D229 D248 D252 | L192-R196 PolarHBondContact O-N 3.47Å; C193-R196 WeakPolarHBondContact O-CB 3.39Å; C193-R196 PolarHBondContact O-N 2.83Å; S194-R196 VanDerWaalsContact C-N 3.35Å; R196-A198 VanDerWaalsContact C-N 3.35Å; R196-A199 PolarHBondContact O-N 3.45Å; R196-S200 PolarHBondContact O-N 3.34Å; R196-S200 PolarHBondContact O-OG 3.35Å; R196-A222 HydrophobicContact CG-CB 4.39Å; R196-D226 IonicContact CZ-OD1 2.72Å; R196-D226 VanDerWaalsContact CZ-OD1 3.25Å; R196-D226 VanDerWaalsContact NH1-CG 3.32Å; R196-D226 IonicContact NH1-OD1 3.37Å; R196-D226 PolarHBondContact NH1-OD1 3.29Å; R196-D226 IonicContact NH2-OD1 2.69Å; R196-D226 PolarHBondContact NH2-OD1 3.44Å; R196-D229 IonicContact CZ-OD2 3.51Å; R196-D229 IonicContact NE-OD2 3.33Å; R196-D229 IonicContact NH2-OD1 3.52Å; R196-D229 PolarHBondContact NH2-OD1 2.97Å; R196-D229 IonicContact NH2-OD2 3.42Å; R196-D229 PolarHBondContact NH2-OD2 3.44Å; R196-D248 IonicContact CZ-OD1 2.78Å; R196-D248 IonicContact NH1-OD1 2.93Å; R196-D248 PolarHBondContact NH1-OD1 3.03Å; R196-D248 IonicContact NH2-OD1 3.25Å; R196-D248 PolarHBondContact NH2-OD1 3.32Å; R196-D252 IonicContact NH1-OD1 3.07Å; R196-D252 PolarHBondContact NH1-OD1 3.44Å |
| 197 | I | 93.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176 | -65.4 | 171.6 | 0 | 0 | 0 | 110.5 | C193 S194 A199 S200 P201 I247 L250 A251 | C193-I197 PolarHBondContact O-N 2.84Å; C193-I197 VanDerWaalsContact O-N 3.14Å; S194-I197 PolarHBondContact O-N 3.48Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.95Å; I197-S200 PolarHBondContact O-N 2.79Å; I197-P201 WeakPolarHBondContact O-CD 3.34Å; I197-I247 HydrophobicContact CD1-CG2 3.78Å; I197-L250 HydrophobicContact CD1-CD2 4.39Å; I197-A251 HydrophobicContact CD1-CB 4.11Å; I197-A251 HydrophobicContact CG1-CB 3.68Å |
| 198 | A | 93.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.2 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S194 A195 R196 P201 | S194-A198 PolarHBondContact O-N 3.16Å; A195-A198 PolarHBondContact O-N 3.1Å; R196-A198 VanDerWaalsContact C-N 3.35Å; A198-P201 WeakPolarHBondContact O-CD 3.33Å; A198-P201 WeakPolarHBondContact O-CG 3.34Å |
| 199 | A | 93.3 | Very high | 93.5 | Very high | 19 Ų | 19 | 45 Ų | 45 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.7 | -22.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A195 R196 I197 L202 L203 L218 | A195-A199 WeakPolarHBondContact O-CB 3.24Å; A195-A199 PolarHBondContact O-N 3.13Å; R196-A199 PolarHBondContact O-N 3.45Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.95Å; A199-L202 WeakPolarHBondContact O-CB 3.3Å; A199-L202 PolarHBondContact O-N 2.86Å; A199-L203 VanDerWaalsContact O-CB 3.24Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 3.02Å; A199-L218 HydrophobicContact CB-CD2 3.69Å |
| 200 | S | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -52.8 | -179.6 | -60 | 0 | 0 | 0 | 0 | 113.7 | R196 I197 L202 L203 G204 L255 | R196-S200 PolarHBondContact O-N 3.34Å; R196-S200 PolarHBondContact O-OG 3.35Å; I197-S200 PolarHBondContact O-N 2.79Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 3.18Å; S200-L203 PolarHBondContact O-N 3.03Å; S200-G204 PolarHBondContact O-N 2.85Å; S200-L255 WeakPolarHBondContact OG-CA 3.24Å |
| 201 | P | 95.5 | Very high | 93.9 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.8 | -33.4 | 174.9 | 26 | -34.6 | 0 | 0 | 0 | 112.8 | I197 A198 L203 G204 Y205 | I197-P201 WeakPolarHBondContact O-CD 3.34Å; A198-P201 WeakPolarHBondContact O-CD 3.33Å; A198-P201 WeakPolarHBondContact O-CG 3.34Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-G204 PolarHBondContact O-N 2.95Å; P201-Y205 WeakPolarHBondContact O-CB 3.37Å; P201-Y205 PolarHBondContact O-N 3.08Å |
| 202 | L | 94.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 44.3 Ų | 44.3 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.4 | 177.4 | 64.3 | 0 | 0 | 0 | 111.3 | A199 S200 Y205 L206 L218 | A199-L202 WeakPolarHBondContact O-CB 3.3Å; A199-L202 PolarHBondContact O-N 2.86Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 3.18Å; L202-Y205 WeakPolarHBondContact O-CB 3.43Å; L202-Y205 PolarHBondContact O-N 2.91Å; L202-L206 WeakPolarHBondContact O-CG 3.22Å; L202-L206 PolarHBondContact O-N 3.38Å; L202-L218 HydrophobicContact CD2-CD1 3.84Å; L202-L218 HydrophobicContact CG-CD1 4.15Å |
| 203 | L | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 177.6 | -163.2 | 162.7 | 0 | 0 | 0 | 110.5 | A199 S200 P201 Y205 L206 V207 L218 F219 L259 | A199-L203 VanDerWaalsContact O-CB 3.24Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 3.02Å; S200-L203 PolarHBondContact O-N 3.03Å; P201-L203 VanDerWaalsContact C-N 3.34Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.09Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-V207 HydrophobicContact CD2-CG2 4.07Å; L203-V207 WeakPolarHBondContact O-CG2 3.4Å; L203-V207 PolarHBondContact O-N 2.98Å; L203-L218 HydrophobicContact CB-CD2 4.32Å; L203-L218 HydrophobicContact CD1-CB 4.4Å; L203-L218 HydrophobicContact CD1-CD2 3.75Å; L203-L218 HydrophobicContact CG-CD2 4.37Å; L203-F219 HydrophobicContact CD1-CB 3.87Å; L203-F219 HydrophobicContact CD1-CD2 4.3Å; L203-L259 HydrophobicContact CD1-CD1 4.44Å; L203-L259 HydrophobicContact CD2-CD1 3.77Å; L203-L259 HydrophobicContact CD2-CD2 3.12Å; L203-L259 HydrophobicContact CD2-CG 3.49Å; L203-L259 VanDerWaalsContact CD2-CG 3.49Å |
| 204 | G | 96.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S200 P201 V207 V208 T262 | S200-G204 PolarHBondContact O-N 2.85Å; P201-G204 PolarHBondContact O-N 2.95Å; G204-V207 PolarHBondContact O-N 3.44Å; G204-V208 WeakPolarHBondContact O-CG2 3.45Å; G204-V208 PolarHBondContact O-N 3.33Å; G204-T262 VanDerWaalsContact CA-CG2 3.43Å |
| 205 | Y | 96.8 | Very high | 94.7 | Very high | 156 Ų | 156 | 44.4 Ų | 44.4 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 175 | 176.7 | -99.2 | 0 | 0 | 0 | 112.3 | P201 L202 L203 V207 V208 C209 | P201-Y205 WeakPolarHBondContact O-CB 3.37Å; P201-Y205 PolarHBondContact O-N 3.08Å; L202-Y205 WeakPolarHBondContact O-CB 3.43Å; L202-Y205 PolarHBondContact O-N 2.91Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.09Å; Y205-V207 VanDerWaalsContact C-N 3.32Å; Y205-V207 PolarHBondContact O-N 3.08Å; Y205-V208 PolarHBondContact O-N 3.26Å; Y205-C209 VanDerWaalsContact CZ-SG 3.54Å; Y205-C209 PolarHBondContact O-N 3.49Å; Y205-C209 PolarHBondContact O-SG 3.21Å |
| 206 | L | 96.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 177.9 | -72.5 | 170 | 0 | 0 | 0 | 112.7 | L202 L203 C209 G210 A211 P214 A215 L218 | L202-L206 WeakPolarHBondContact O-CG 3.22Å; L202-L206 PolarHBondContact O-N 3.38Å; L203-L206 PolarHBondContact O-N 3.13Å; L206-C209 PolarHBondContact O-N 3.34Å; L206-G210 PolarHBondContact O-N 2.83Å; L206-A211 HydrophobicContact CD2-CB 4.41Å; L206-A211 PolarHBondContact O-N 3.46Å; L206-P214 HydrophobicContact CD1-CB 4.48Å; L206-P214 HydrophobicContact CD2-CG 4.32Å; L206-A215 HydrophobicContact CB-CB 4.12Å; L206-L218 HydrophobicContact CD1-CD1 4.04Å |
| 207 | V | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -50 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | L203 G204 Y205 C209 G210 Y212 A215 L259 L263 N266 L343 | L203-V207 HydrophobicContact CD2-CG2 4.07Å; L203-V207 WeakPolarHBondContact O-CG2 3.4Å; L203-V207 PolarHBondContact O-N 2.98Å; G204-V207 PolarHBondContact O-N 3.44Å; Y205-V207 VanDerWaalsContact C-N 3.32Å; Y205-V207 PolarHBondContact O-N 3.08Å; V207-C209 PolarHBondContact O-N 3.14Å; V207-G210 WeakPolarHBondContact O-CA 3.42Å; V207-G210 PolarHBondContact O-N 2.93Å; V207-Y212 HydrophobicContact CG1-CE1 4.31Å; V207-A215 HydrophobicContact CG2-CB 3.82Å; V207-L259 HydrophobicContact CG2-CD2 3.97Å; V207-L263 HydrophobicContact CG1-CD2 3.76Å; V207-L263 HydrophobicContact CG1-CG 4.21Å; V207-N266 PolarHBondContact O-ND2 3.02Å; V207-L343 HydrophobicContact CG2-CD1 4.05Å |
| 208 | V | 95.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 38% | 0.382 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | G204 Y205 G210 T262 Y265 | G204-V208 WeakPolarHBondContact O-CG2 3.45Å; G204-V208 PolarHBondContact O-N 3.33Å; Y205-V208 PolarHBondContact O-N 3.26Å; V208-G210 PolarHBondContact O-N 2.83Å; V208-T262 HydrophobicContact CG2-CG2 3.96Å; V208-Y265 HydrophobicContact CG1-CD1 4.1Å; V208-Y265 HydrophobicContact CG1-CE1 3.84Å; V208-Y265 HydrophobicContact CG2-CD1 4.03Å |
| 209 | C | 94.9 | Very high | 95 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -3.1 | 173.6 | -68.9 | 0 | 0 | 0 | 0 | 114.3 | Y205 L206 V207 A211 | Y205-C209 VanDerWaalsContact CZ-SG 3.54Å; Y205-C209 PolarHBondContact O-N 3.49Å; Y205-C209 PolarHBondContact O-SG 3.21Å; L206-C209 PolarHBondContact O-N 3.34Å; V207-C209 PolarHBondContact O-N 3.14Å; C209-A211 PolarHBondContact O-N 3.03Å |
| 210 | G | 92.6 | Very high | 95 | Very high | 35 Ų | 35 | 45 Ų | 45 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 9.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L206 V207 V208 Y212 | L206-G210 PolarHBondContact O-N 2.83Å; V207-G210 WeakPolarHBondContact O-CA 3.42Å; V207-G210 PolarHBondContact O-N 2.93Å; V208-G210 PolarHBondContact O-N 2.83Å; G210-Y212 VanDerWaalsContact C-N 3.27Å; G210-Y212 WeakPolarHBondContact O-CD2 3.46Å; G210-Y212 WeakPolarHBondContact O-CE2 3.49Å; G210-Y212 PolarHBondContact O-N 3.32Å |
| 211 | A | 94.5 | Very high | 95 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | trans | -85.1 | 67.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L206 C209 G213 P214 A215 | L206-A211 HydrophobicContact CD2-CB 4.41Å; L206-A211 PolarHBondContact O-N 3.46Å; C209-A211 PolarHBondContact O-N 3.03Å; A211-G213 VanDerWaalsContact C-N 3.34Å; A211-G213 PolarHBondContact O-N 3.48Å; A211-P214 HydrophobicContact CB-CG 3.72Å; A211-P214 VanDerWaalsContact O-CD 3.23Å; A211-P214 WeakPolarHBondContact O-CD 3.43Å; A211-P214 VanDerWaalsContact O-CG 3.28Å; A211-P214 WeakPolarHBondContact O-CG 3.26Å; A211-A215 WeakPolarHBondContact O-CB 3.23Å; A211-A215 PolarHBondContact O-N 2.9Å | ||
| 212 | Y | 93.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -31.7 | -173.6 | -55 | -69.2 | 0 | 0 | 0 | 113.8 | V207 G210 A215 L216 N266 L268 P346 | V207-Y212 HydrophobicContact CG1-CE1 4.31Å; G210-Y212 VanDerWaalsContact C-N 3.27Å; G210-Y212 WeakPolarHBondContact O-CD2 3.46Å; G210-Y212 WeakPolarHBondContact O-CE2 3.49Å; G210-Y212 PolarHBondContact O-N 3.32Å; Y212-A215 PolarHBondContact O-N 3.02Å; Y212-L216 WeakPolarHBondContact O-CB 3.32Å; Y212-L216 PolarHBondContact O-N 3.49Å; Y212-N266 PolarHBondContact OH-ND2 3.05Å; Y212-L268 HydrophobicContact CE1-CD1 4.43Å; Y212-L268 HydrophobicContact CE1-CD2 4.12Å; Y212-P346 HydrophobicContact CD1-CG 3.77Å; Y212-P346 HydrophobicContact CD2-CB 3.54Å; Y212-P346 HydrophobicContact CD2-CG 3.56Å; Y212-P346 HydrophobicContact CE1-CG 4.19Å; Y212-P346 HydrophobicContact CE2-CB 3.81Å; Y212-P346 HydrophobicContact CE2-CG 4Å; Y212-P346 HydrophobicContact CG-CB 3.97Å; Y212-P346 HydrophobicContact CG-CG 3.42Å; Y212-P346 VanDerWaalsContact CG-CG 3.42Å |
| 213 | G | 94.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 43 Ų | 43 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.7 | -60.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A211 A215 L216 A217 | A211-G213 VanDerWaalsContact C-N 3.34Å; A211-G213 PolarHBondContact O-N 3.48Å; G213-A215 VanDerWaalsContact C-N 3.28Å; G213-A215 PolarHBondContact O-N 3.17Å; G213-L216 PolarHBondContact O-N 3.33Å; G213-A217 PolarHBondContact O-N 3.47Å; G213-A217 VanDerWaalsContact O-N 3.14Å |
| 214 | P | 95.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 175.9 | 24.7 | -33.3 | 0 | 0 | 0 | 112.7 | L206 A211 A217 L218 | L206-P214 HydrophobicContact CD1-CB 4.48Å; L206-P214 HydrophobicContact CD2-CG 4.32Å; A211-P214 HydrophobicContact CB-CG 3.72Å; A211-P214 VanDerWaalsContact O-CD 3.23Å; A211-P214 WeakPolarHBondContact O-CD 3.43Å; A211-P214 VanDerWaalsContact O-CG 3.28Å; A211-P214 WeakPolarHBondContact O-CG 3.26Å; P214-A217 PolarHBondContact O-N 2.86Å; P214-L218 WeakPolarHBondContact O-CB 3.37Å; P214-L218 PolarHBondContact O-N 2.92Å |
| 215 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L206 V207 A211 Y212 G213 L218 F219 L343 | L206-A215 HydrophobicContact CB-CB 4.12Å; V207-A215 HydrophobicContact CG2-CB 3.82Å; A211-A215 WeakPolarHBondContact O-CB 3.23Å; A211-A215 PolarHBondContact O-N 2.9Å; Y212-A215 PolarHBondContact O-N 3.02Å; G213-A215 VanDerWaalsContact C-N 3.28Å; G213-A215 PolarHBondContact O-N 3.17Å; A215-L218 PolarHBondContact O-N 3.09Å; A215-F219 VanDerWaalsContact O-CB 3.24Å; A215-F219 WeakPolarHBondContact O-CB 3.36Å; A215-F219 PolarHBondContact O-N 2.72Å; A215-L343 HydrophobicContact CB-CD1 4.45Å; A215-L343 HydrophobicContact CB-CD2 4.3Å |
| 216 | L | 94.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.9 | -172 | 69.6 | 0 | 0 | 0 | 111.4 | Y212 G213 F219 S220 L343 A344 V347 | Y212-L216 WeakPolarHBondContact O-CB 3.32Å; Y212-L216 PolarHBondContact O-N 3.49Å; G213-L216 PolarHBondContact O-N 3.33Å; L216-F219 PolarHBondContact O-N 3.2Å; L216-S220 WeakPolarHBondContact O-CB 3.2Å; L216-S220 PolarHBondContact O-N 3.39Å; L216-S220 PolarHBondContact O-OG 2.96Å; L216-L343 HydrophobicContact CB-CD2 3.44Å; L216-L343 VanDerWaalsContact CB-CD2 3.44Å; L216-L343 HydrophobicContact CD1-CD2 3.5Å; L216-L343 VanDerWaalsContact CD1-CD2 3.5Å; L216-L343 HydrophobicContact CG-CD2 4.06Å; L216-A344 HydrophobicContact CD1-CB 4.05Å; L216-A344 HydrophobicContact CD2-CB 4.3Å; L216-V347 HydrophobicContact CD2-CG1 4.39Å; L216-V347 HydrophobicContact CD2-CG2 4.36Å |
| 217 | A | 95.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G213 P214 S220 V221 | G213-A217 PolarHBondContact O-N 3.47Å; G213-A217 VanDerWaalsContact O-N 3.14Å; P214-A217 PolarHBondContact O-N 2.86Å; A217-S220 WeakPolarHBondContact CA-OG 3.46Å; A217-S220 PolarHBondContact O-OG 3.04Å; A217-V221 WeakPolarHBondContact O-CB 3.28Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 3.08Å |
| 218 | L | 94.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 178.5 | -156.3 | 161.9 | 0 | 0 | 0 | 111 | A199 L202 L203 L206 P214 A215 S220 V221 A222 | A199-L218 HydrophobicContact CB-CD2 3.69Å; L202-L218 HydrophobicContact CD2-CD1 3.84Å; L202-L218 HydrophobicContact CG-CD1 4.15Å; L203-L218 HydrophobicContact CB-CD2 4.32Å; L203-L218 HydrophobicContact CD1-CB 4.4Å; L203-L218 HydrophobicContact CD1-CD2 3.75Å; L203-L218 HydrophobicContact CG-CD2 4.37Å; L206-L218 HydrophobicContact CD1-CD1 4.04Å; P214-L218 WeakPolarHBondContact O-CB 3.37Å; P214-L218 PolarHBondContact O-N 2.92Å; A215-L218 PolarHBondContact O-N 3.09Å; L218-S220 PolarHBondContact O-N 3.22Å; L218-V221 PolarHBondContact O-N 3.37Å; L218-A222 WeakPolarHBondContact O-CB 3.24Å; L218-A222 PolarHBondContact O-N 2.78Å |
| 219 | F | 94.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 179.1 | 179.9 | -113.3 | 0 | 0 | 0 | 112.4 | L203 A215 L216 A222 G223 L255 L259 V339 C340 | L203-F219 HydrophobicContact CD1-CB 3.87Å; L203-F219 HydrophobicContact CD1-CD2 4.3Å; A215-F219 VanDerWaalsContact O-CB 3.24Å; A215-F219 WeakPolarHBondContact O-CB 3.36Å; A215-F219 PolarHBondContact O-N 2.72Å; L216-F219 PolarHBondContact O-N 3.2Å; F219-A222 PolarHBondContact O-N 3.25Å; F219-G223 PolarHBondContact O-N 3.28Å; F219-L255 HydrophobicContact CD2-CD2 3.89Å; F219-L255 HydrophobicContact CE2-CD2 3.65Å; F219-L259 HydrophobicContact CD2-CD1 3.32Å; F219-L259 HydrophobicContact CE2-CD1 3.47Å; F219-L259 VanDerWaalsContact CE2-CD1 3.47Å; F219-L259 HydrophobicContact CG-CD1 4.18Å; F219-L259 HydrophobicContact CZ-CD1 4.41Å; F219-V339 HydrophobicContact CE1-CG1 4.35Å; F219-V339 HydrophobicContact CE2-CG1 4.09Å; F219-V339 HydrophobicContact CZ-CB 4.47Å; F219-V339 HydrophobicContact CZ-CG1 3.84Å; F219-C340 HydrophobicContact CE1-CB 4.41Å; F219-C340 VanDerWaalsContact CE1-SG 3.5Å |
| 220 | S | 93.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | L216 A217 L218 G223 A224 | L216-S220 WeakPolarHBondContact O-CB 3.2Å; L216-S220 PolarHBondContact O-N 3.39Å; L216-S220 PolarHBondContact O-OG 2.96Å; A217-S220 WeakPolarHBondContact CA-OG 3.46Å; A217-S220 PolarHBondContact O-OG 3.04Å; L218-S220 PolarHBondContact O-N 3.22Å; S220-G223 PolarHBondContact O-N 2.93Å; S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 2.71Å |
| 221 | V | 94.4 | Very high | 92.8 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 172.6 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | A217 L218 G223 A224 T225 | A217-V221 WeakPolarHBondContact O-CB 3.28Å; A217-V221 VanDerWaalsContact O-CG2 3.24Å; A217-V221 WeakPolarHBondContact O-CG2 3.47Å; A217-V221 PolarHBondContact O-N 3.08Å; L218-V221 PolarHBondContact O-N 3.37Å; V221-G223 PolarHBondContact O-N 3.02Å; V221-A224 PolarHBondContact O-N 3.22Å; V221-T225 HydrophobicContact CG1-CG2 4.38Å; V221-T225 WeakPolarHBondContact O-CG2 3.35Å; V221-T225 PolarHBondContact O-N 3.17Å; V221-T225 PolarHBondContact O-OG1 2.75Å |
| 222 | A | 93.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | R196 L218 F219 A224 T225 D226 L255 | R196-A222 HydrophobicContact CG-CB 4.39Å; L218-A222 WeakPolarHBondContact O-CB 3.24Å; L218-A222 PolarHBondContact O-N 2.78Å; F219-A222 PolarHBondContact O-N 3.25Å; A222-A224 PolarHBondContact O-N 3.49Å; A222-T225 WeakPolarHBondContact CA-OG1 3.38Å; A222-T225 PolarHBondContact O-N 3.43Å; A222-T225 PolarHBondContact O-OG1 2.9Å; A222-D226 PolarHBondContact O-N 3.49Å; A222-L255 HydrophobicContact CB-CD1 3.77Å |
| 223 | G | 91.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F219 S220 V221 D226 L227 | F219-G223 PolarHBondContact O-N 3.28Å; S220-G223 PolarHBondContact O-N 2.93Å; V221-G223 PolarHBondContact O-N 3.02Å; G223-D226 PolarHBondContact O-N 2.88Å; G223-L227 PolarHBondContact O-N 3.47Å |
| 224 | A | 92.4 | Very high | 91.8 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S220 V221 A222 D226 L227 L228 | S220-A224 WeakPolarHBondContact O-CB 3.46Å; S220-A224 PolarHBondContact O-N 2.71Å; V221-A224 PolarHBondContact O-N 3.22Å; A222-A224 PolarHBondContact O-N 3.49Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 3.09Å; A224-L227 PolarHBondContact O-N 2.98Å; A224-L228 WeakPolarHBondContact O-CB 3.47Å; A224-L228 PolarHBondContact O-N 3.02Å |
| 225 | T | 92.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -30.1 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | L192 V221 A222 L228 D229 | L192-T225 HydrophobicContact CD2-CG2 4.32Å; V221-T225 HydrophobicContact CG1-CG2 4.38Å; V221-T225 WeakPolarHBondContact O-CG2 3.35Å; V221-T225 PolarHBondContact O-N 3.17Å; V221-T225 PolarHBondContact O-OG1 2.75Å; A222-T225 WeakPolarHBondContact CA-OG1 3.38Å; A222-T225 PolarHBondContact O-N 3.43Å; A222-T225 PolarHBondContact O-OG1 2.9Å; T225-L228 PolarHBondContact O-N 2.95Å; T225-D229 WeakPolarHBondContact O-CB 3.46Å; T225-D229 PolarHBondContact O-N 2.85Å |
| 226 | D | 90.3 | Very high | 91 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 174.2 | 178.8 | 58.7 | 0 | 0 | 0 | 112.5 | R196 A222 G223 A224 L228 D229 G230 D248 | R196-D226 IonicContact CZ-OD1 2.72Å; R196-D226 VanDerWaalsContact CZ-OD1 3.25Å; R196-D226 VanDerWaalsContact NH1-CG 3.32Å; R196-D226 IonicContact NH1-OD1 3.37Å; R196-D226 PolarHBondContact NH1-OD1 3.29Å; R196-D226 IonicContact NH2-OD1 2.69Å; R196-D226 PolarHBondContact NH2-OD1 3.44Å; A222-D226 PolarHBondContact O-N 3.49Å; G223-D226 PolarHBondContact O-N 2.88Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 3.09Å; D226-L228 VanDerWaalsContact C-N 3.29Å; D226-L228 PolarHBondContact O-N 2.95Å; D226-D229 WeakPolarHBondContact CA-OD1 3.38Å; D226-G230 PolarHBondContact O-N 3.27Å; D226-D248 VanDerWaalsContact OD1-OD1 3.14Å |
| 227 | L | 89.1 | Confident | 90.2 | Very high | 119 Ų | 119 | 70.1 Ų | 70.1 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 173.5 | -63.6 | 178.3 | 0 | 0 | 0 | 110.6 | G223 A224 L231 | G223-L227 PolarHBondContact O-N 3.47Å; A224-L227 PolarHBondContact O-N 2.98Å; L227-L231 WeakPolarHBondContact O-CB 3.49Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 2.93Å |
| 228 | L | 91.5 | Very high | 89.3 | Confident | 91 Ų | 91 | 71 Ų | 71 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | -177.6 | -173.6 | 66.7 | 0 | 0 | 0 | 112.4 | A224 T225 D226 L231 I232 | A224-L228 WeakPolarHBondContact O-CB 3.47Å; A224-L228 PolarHBondContact O-N 3.02Å; T225-L228 PolarHBondContact O-N 2.95Å; D226-L228 VanDerWaalsContact C-N 3.29Å; D226-L228 PolarHBondContact O-N 2.95Å; L228-L231 PolarHBondContact O-N 3.24Å; L228-I232 HydrophobicContact CD1-CD1 4.17Å; L228-I232 HydrophobicContact CD1-CG1 4.46Å; L228-I232 HydrophobicContact CD2-CD1 4.35Å; L228-I232 HydrophobicContact CG-CD1 3.76Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 WeakPolarHBondContact O-CB 3.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.28Å |
| 229 | D | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.2 | -37 | -179 | 61.9 | 20.5 | 0 | 0 | 0 | 112 | P189 L192 R196 T225 D226 I232 A233 | P189-D229 HydrophobicContact CB-CB 4Å; L192-D229 HydrophobicContact CB-CB 4.05Å; L192-D229 HydrophobicContact CD1-CB 3.84Å; R196-D229 IonicContact CZ-OD2 3.51Å; R196-D229 IonicContact NE-OD2 3.33Å; R196-D229 IonicContact NH2-OD1 3.52Å; R196-D229 PolarHBondContact NH2-OD1 2.97Å; R196-D229 IonicContact NH2-OD2 3.42Å; R196-D229 PolarHBondContact NH2-OD2 3.44Å; T225-D229 WeakPolarHBondContact O-CB 3.46Å; T225-D229 PolarHBondContact O-N 2.85Å; D226-D229 WeakPolarHBondContact CA-OD1 3.38Å; D229-I232 PolarHBondContact O-N 2.94Å; D229-A233 WeakPolarHBondContact O-CB 3.43Å; D229-A233 PolarHBondContact O-N 3.23Å |
| 230 | G | 88.1 | Confident | 87.9 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D226 R234 | D226-G230 PolarHBondContact O-N 3.27Å; G230-R234 VanDerWaalsContact O-CG 3.26Å; G230-R234 WeakPolarHBondContact O-CG 3.23Å; G230-R234 PolarHBondContact O-N 3.01Å |
| 231 | L | 88.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 70.3 Ų | 70.3 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.5 | -42.6 | 175.5 | -72.2 | 172.7 | 0 | 0 | 0 | 112.1 | L227 L228 A233 R234 Y235 | L227-L231 WeakPolarHBondContact O-CB 3.49Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 2.93Å; L228-L231 PolarHBondContact O-N 3.24Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 3.37Å; L231-R234 PolarHBondContact O-N 3.36Å; L231-Y235 WeakPolarHBondContact O-CB 3.38Å; L231-Y235 PolarHBondContact O-N 3.01Å |
| 232 | I | 88.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 20% | 0.195 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.3 | -69.1 | 165.8 | 0 | 0 | 0 | 110.4 | P189 L228 D229 R234 V236 | P189-I232 HydrophobicContact CG-CB 4.48Å; P189-I232 HydrophobicContact CG-CG2 4.07Å; L228-I232 HydrophobicContact CD1-CD1 4.17Å; L228-I232 HydrophobicContact CD1-CG1 4.46Å; L228-I232 HydrophobicContact CD2-CD1 4.35Å; L228-I232 HydrophobicContact CG-CD1 3.76Å; L228-I232 HydrophobicContact CG-CG1 4.43Å; L228-I232 WeakPolarHBondContact O-CB 3.39Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.28Å; D229-I232 PolarHBondContact O-N 2.94Å; I232-R234 VanDerWaalsContact C-N 3.26Å; I232-R234 PolarHBondContact O-N 3.02Å; I232-V236 HydrophobicContact CG2-CB 4.48Å; I232-V236 HydrophobicContact CG2-CG2 4.13Å; I232-V236 VanDerWaalsContact O-CB 3.3Å; I232-V236 WeakPolarHBondContact O-CB 3.39Å; I232-V236 PolarHBondContact O-N 3.34Å |
| 233 | A | 87.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -30.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | P189 D229 L231 | P189-A233 HydrophobicContact CG-CB 4.18Å; D229-A233 WeakPolarHBondContact O-CB 3.43Å; D229-A233 PolarHBondContact O-N 3.23Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 3.37Å |
| 234 | R | 86.6 | Confident | 85.4 | Confident | 222 Ų | 222 | 70.6 Ų | 70.6 | 84% | 0.838 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -85 | -41.1 | 179.3 | -70.9 | 174.9 | -173.5 | -170.5 | 5.4 | 113.3 | G230 L231 I232 | G230-R234 VanDerWaalsContact O-CG 3.26Å; G230-R234 WeakPolarHBondContact O-CG 3.23Å; G230-R234 PolarHBondContact O-N 3.01Å; L231-R234 PolarHBondContact O-N 3.36Å; I232-R234 VanDerWaalsContact C-N 3.26Å; I232-R234 PolarHBondContact O-N 3.02Å |
| 235 | Y | 88.4 | Confident | 84.9 | Confident | 210 Ų | 210 | 71.8 Ų | 71.8 | 82% | 0.824 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -86.5 | -32.5 | -173.5 | -171.7 | -103.2 | 0 | 0 | 0 | 112.6 | L231 P237 | L231-Y235 WeakPolarHBondContact O-CB 3.38Å; L231-Y235 PolarHBondContact O-N 3.01Å; Y235-P237 WeakPolarHBondContact O-CD 3.45Å |
| 236 | V | 84.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -96.8 | 109.9 | -177.8 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | I232 G238 Q239 | I232-V236 HydrophobicContact CG2-CB 4.48Å; I232-V236 HydrophobicContact CG2-CG2 4.13Å; I232-V236 VanDerWaalsContact O-CB 3.3Å; I232-V236 WeakPolarHBondContact O-CB 3.39Å; I232-V236 PolarHBondContact O-N 3.34Å; V236-G238 PolarHBondContact O-N 2.93Å; V236-Q239 HydrophobicContact CB-CB 4.39Å; V236-Q239 HydrophobicContact CB-CG 3.9Å; V236-Q239 HydrophobicContact CG1-CG 3.58Å; V236-Q239 PolarHBondContact O-N 3.05Å |
| 237 | P | 78.4 | Confident | 84.1 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 81% | 0.805 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 131.5 | -178.4 | 25.9 | -33.4 | 0 | 0 | 0 | 111 | Y235 | Y235-P237 WeakPolarHBondContact O-CD 3.45Š|
| 238 | G | 77 | Confident | 84.1 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V236 | V236-G238 PolarHBondContact O-N 2.93Š|
| 239 | Q | 80.1 | Confident | 83.9 | Confident | 46 Ų | 46 | 72 Ų | 72 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | trans | -93 | -19.3 | 173.4 | -65.6 | -62.9 | -33.5 | 0 | 0 | 113.8 | T187 P189 V236 T241 | T187-Q239 PolarHBondContact OG1-O 3.29Å; P189-Q239 HydrophobicContact CG-CB 4.43Å; V236-Q239 HydrophobicContact CB-CB 4.39Å; V236-Q239 HydrophobicContact CB-CG 3.9Å; V236-Q239 HydrophobicContact CG1-CG 3.58Å; V236-Q239 PolarHBondContact O-N 3.05Å; Q239-T241 PolarHBondContact O-N 2.69Å | ||
| 240 | G | 79 | Confident | 83.8 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | trans | -70 | 125.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 241 | T | 81.4 | Confident | 84 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 9% | 0.086 | 42% | 0.418 | C | S | . | . | trans | -117.6 | 150.7 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | T187 N190 Q239 L243 G244 T245 | T187-T241 HydrophobicContact CG2-CG2 3.55Å; N190-T241 PolarHBondContact ND2-OG1 3.42Å; N190-T241 PolarHBondContact OD1-OG1 3.18Å; N190-T241 VanDerWaalsContact OD1-OG1 3.1Å; Q239-T241 PolarHBondContact O-N 2.69Å; T241-L243 PolarHBondContact O-N 3.48Å; T241-G244 PolarHBondContact O-N 3.38Å; T241-G244 WeakPolarHBondContact OG1-CA 3.43Å; T241-G244 PolarHBondContact OG1-N 2.89Å; T241-T245 PolarHBondContact O-N 3.27Å | ||
| 242 | I | 77 | Confident | 84 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.395 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 177.5 | -59 | 177 | 0 | 0 | 0 | 109.6 | E183 T245 M246 I310 | E183-I242 VanDerWaalsContact OE1-CD1 3.29Å; E183-I242 WeakPolarHBondContact OE1-CD1 3.26Å; E183-I242 PolarHBondContact OE2-N 3.45Å; I242-T245 PolarHBondContact O-N 2.72Å; I242-T245 PolarHBondContact O-OG1 3.39Å; I242-M246 WeakPolarHBondContact O-CG 3.34Å; I242-I310 HydrophobicContact CG2-CG2 3.89Å |
| 243 | L | 77.4 | Confident | 84.2 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 175.8 | -68.1 | 177.3 | 0 | 0 | 0 | 112.2 | V185 T241 T245 M246 I247 I310 | V185-L243 HydrophobicContact CG1-CD1 4.03Å; V185-L243 HydrophobicContact CG2-CD1 4.49Å; T241-L243 PolarHBondContact O-N 3.48Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.47Å; L243-M246 PolarHBondContact O-N 3.27Å; L243-I247 HydrophobicContact CB-CD1 4.24Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 2.83Å; L243-I310 HydrophobicContact CD2-CD1 3.87Å; L243-I310 HydrophobicContact CD2-CG2 4.26Å |
| 244 | G | 83.5 | Confident | 84.5 | Confident | 12 Ų | 12 | 74.3 Ų | 74.3 | 12% | 0.124 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N190 T241 M246 I247 D248 | N190-G244 WeakPolarHBondContact OD1-CA 3.31Å; T241-G244 PolarHBondContact O-N 3.38Å; T241-G244 WeakPolarHBondContact OG1-CA 3.43Å; T241-G244 PolarHBondContact OG1-N 2.89Å; G244-M246 PolarHBondContact O-N 3.16Å; G244-M246 VanDerWaalsContact O-N 3.09Å; G244-I247 PolarHBondContact O-N 3.07Å; G244-D248 WeakPolarHBondContact O-CB 3.42Å; G244-D248 PolarHBondContact O-N 3.43Å |
| 245 | T | 81.7 | Confident | 84.8 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -20.5 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | T241 I242 L243 | T241-T245 PolarHBondContact O-N 3.27Å; I242-T245 PolarHBondContact O-N 2.72Å; I242-T245 PolarHBondContact O-OG1 3.39Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.47Å |
| 246 | M | 81.7 | Confident | 85.1 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -95.2 | -38.4 | 178.7 | -63.2 | -66.5 | 102.8 | 0 | 0 | 112.4 | I242 L243 G244 D248 V314 | I242-M246 WeakPolarHBondContact O-CG 3.34Å; L243-M246 PolarHBondContact O-N 3.27Å; G244-M246 PolarHBondContact O-N 3.16Å; G244-M246 VanDerWaalsContact O-N 3.09Å; M246-D248 VanDerWaalsContact C-N 3.34Å; M246-V314 HydrophobicContact SD-CG2 4.33Å |
| 247 | I | 85.6 | Confident | 85.5 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.1 | -31.1 | -177.3 | -62.6 | 167.8 | 0 | 0 | 0 | 110.6 | I197 L243 G244 L250 A251 | I197-I247 HydrophobicContact CD1-CG2 3.78Å; L243-I247 HydrophobicContact CB-CD1 4.24Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 2.83Å; G244-I247 PolarHBondContact O-N 3.07Å; I247-L250 CarbonylContact O-C 3.47Å; I247-L250 WeakPolarHBondContact O-CA 3.44Å; I247-L250 WeakPolarHBondContact O-CB 3.2Å; I247-L250 PolarHBondContact O-N 3.09Å; I247-L250 VanDerWaalsContact O-N 3.08Å; I247-A251 PolarHBondContact O-N 3.03Å |
| 248 | D | 89 | Confident | 86.3 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -57.3 | -174.8 | 179.9 | 39.9 | 0 | 0 | 0 | 113.7 | R196 D226 G244 M246 L250 A251 D252 | R196-D248 IonicContact CZ-OD1 2.78Å; R196-D248 IonicContact NH1-OD1 2.93Å; R196-D248 PolarHBondContact NH1-OD1 3.03Å; R196-D248 IonicContact NH2-OD1 3.25Å; R196-D248 PolarHBondContact NH2-OD1 3.32Å; D226-D248 VanDerWaalsContact OD1-OD1 3.14Å; G244-D248 WeakPolarHBondContact O-CB 3.42Å; G244-D248 PolarHBondContact O-N 3.43Å; M246-D248 VanDerWaalsContact C-N 3.34Å; D248-L250 PolarHBondContact O-N 3.45Å; D248-A251 WeakPolarHBondContact O-CB 3.35Å; D248-A251 PolarHBondContact O-N 3.32Å; D248-D252 PolarHBondContact O-N 3.26Å |
| 249 | P | 86.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -21.9 | 173 | -25 | 33.5 | 0 | 0 | 0 | 114.9 | K253 | P249-K253 VanDerWaalsContact O-CG 3.22Å; P249-K253 WeakPolarHBondContact O-CG 3.45Å; P249-K253 PolarHBondContact O-N 2.86Å |
| 250 | L | 88 | Confident | 87.9 | Confident | 95 Ų | 95 | 44.1 Ų | 44.1 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.5 | -39.3 | 177.4 | 174.7 | 144.3 | 0 | 0 | 0 | 110.9 | I197 I247 D248 K253 I254 | I197-L250 HydrophobicContact CD1-CD2 4.39Å; I247-L250 CarbonylContact O-C 3.47Å; I247-L250 WeakPolarHBondContact O-CA 3.44Å; I247-L250 WeakPolarHBondContact O-CB 3.2Å; I247-L250 PolarHBondContact O-N 3.09Å; I247-L250 VanDerWaalsContact O-N 3.08Å; D248-L250 PolarHBondContact O-N 3.45Å; L250-K253 PolarHBondContact O-N 3.2Å; L250-I254 HydrophobicContact CD2-CD1 3.5Å; L250-I254 HydrophobicContact CD2-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 4.15Å; L250-I254 WeakPolarHBondContact O-CG1 3.5Å; L250-I254 PolarHBondContact O-N 3.44Å |
| 251 | A | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | C193 I197 I247 D248 K253 I254 L255 | C193-A251 VanDerWaalsContact SG-CB 3.56Å; I197-A251 HydrophobicContact CD1-CB 4.11Å; I197-A251 HydrophobicContact CG1-CB 3.68Å; I247-A251 PolarHBondContact O-N 3.03Å; D248-A251 WeakPolarHBondContact O-CB 3.35Å; D248-A251 PolarHBondContact O-N 3.32Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.36Å; A251-I254 PolarHBondContact O-N 2.86Å; A251-L255 WeakPolarHBondContact O-CB 3.5Å; A251-L255 PolarHBondContact O-N 3.36Å |
| 252 | D | 90.4 | Very high | 89.4 | Confident | 50 Ų | 50 | 45.7 Ų | 45.7 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.8 | -69.7 | -22.5 | 0 | 0 | 0 | 112.8 | R196 D248 L255 L256 | R196-D252 IonicContact NH1-OD1 3.07Å; R196-D252 PolarHBondContact NH1-OD1 3.44Å; D248-D252 PolarHBondContact O-N 3.26Å; D252-L255 PolarHBondContact O-N 3.34Å; D252-L256 WeakPolarHBondContact O-CB 3.09Å; D252-L256 WeakPolarHBondContact O-CG 3.49Å; D252-L256 PolarHBondContact O-N 2.89Å |
| 253 | K | 91.5 | Very high | 90.2 | Very high | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | 179.4 | -70 | -67.8 | 174 | -170.7 | 0 | 111.9 | P249 L250 A251 S257 D281 | P249-K253 VanDerWaalsContact O-CG 3.22Å; P249-K253 WeakPolarHBondContact O-CG 3.45Å; P249-K253 PolarHBondContact O-N 2.86Å; L250-K253 PolarHBondContact O-N 3.2Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.36Å; K253-S257 WeakPolarHBondContact O-CB 3.26Å; K253-S257 PolarHBondContact O-N 3.44Å; K253-S257 PolarHBondContact O-OG 3.33Å; K253-D281 WeakPolarHBondContact CD-OD2 3.39Å; K253-D281 VanDerWaalsContact NZ-CG 3.32Å; K253-D281 IonicContact NZ-OD1 2.69Å; K253-D281 PolarHBondContact NZ-OD1 3.37Å; K253-D281 IonicContact NZ-OD2 3.06Å; K253-D281 PolarHBondContact NZ-OD2 2.81Å |
| 254 | I | 93.7 | Very high | 91 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 30% | 0.297 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.6 | -70 | 172.6 | 0 | 0 | 0 | 109.3 | L250 A251 L256 S257 T258 | L250-I254 HydrophobicContact CD2-CD1 3.5Å; L250-I254 HydrophobicContact CD2-CG1 4.44Å; L250-I254 HydrophobicContact CG-CD1 4.15Å; L250-I254 WeakPolarHBondContact O-CG1 3.5Å; L250-I254 PolarHBondContact O-N 3.44Å; A251-I254 PolarHBondContact O-N 2.86Å; I254-L256 PolarHBondContact O-N 2.99Å; I254-S257 PolarHBondContact O-N 3.36Å; I254-S257 PolarHBondContact O-OG 3.27Å; I254-T258 HydrophobicContact CG2-CG2 4.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.33Å; I254-T258 PolarHBondContact O-N 2.85Å; I254-T258 PolarHBondContact O-OG1 3.08Å |
| 255 | L | 94 | Very high | 91.5 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -53.6 | -178.8 | -172.7 | 154.3 | 0 | 0 | 0 | 111.6 | S200 F219 A222 A251 D252 S257 T258 L259 | S200-L255 WeakPolarHBondContact OG-CA 3.24Å; F219-L255 HydrophobicContact CD2-CD2 3.89Å; F219-L255 HydrophobicContact CE2-CD2 3.65Å; A222-L255 HydrophobicContact CB-CD1 3.77Å; A251-L255 WeakPolarHBondContact O-CB 3.5Å; A251-L255 PolarHBondContact O-N 3.36Å; D252-L255 PolarHBondContact O-N 3.34Å; L255-S257 PolarHBondContact O-N 3.25Å; L255-T258 PolarHBondContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; L255-L259 HydrophobicContact CD2-CD1 4.02Å; L255-L259 PolarHBondContact O-N 3.47Å; L255-L259 VanDerWaalsContact O-N 3.13Å |
| 256 | L | 93.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.9 | -71 | 174.8 | 0 | 0 | 0 | 112.2 | D252 I254 T258 L259 F260 I336 V339 | D252-L256 WeakPolarHBondContact O-CB 3.09Å; D252-L256 WeakPolarHBondContact O-CG 3.49Å; D252-L256 PolarHBondContact O-N 2.89Å; I254-L256 PolarHBondContact O-N 2.99Å; L256-T258 PolarHBondContact O-N 3.2Å; L256-L259 PolarHBondContact O-N 3.37Å; L256-F260 VanDerWaalsContact O-CD2 3.23Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 2.92Å; L256-I336 HydrophobicContact CD1-CG1 3.97Å; L256-I336 HydrophobicContact CD2-CG1 4.17Å; L256-V339 HydrophobicContact CD2-CG2 4.27Å |
| 257 | S | 93.9 | Very high | 92.5 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | K253 I254 L255 L259 F260 V261 | K253-S257 WeakPolarHBondContact O-CB 3.26Å; K253-S257 PolarHBondContact O-N 3.44Å; K253-S257 PolarHBondContact O-OG 3.33Å; I254-S257 PolarHBondContact O-N 3.36Å; I254-S257 PolarHBondContact O-OG 3.27Å; L255-S257 PolarHBondContact O-N 3.25Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.25Å; S257-F260 PolarHBondContact O-N 3.22Å; S257-V261 WeakPolarHBondContact O-CG2 3.15Å; S257-V261 PolarHBondContact O-N 3.24Å; S257-V261 VanDerWaalsContact O-N 3.16Å |
| 258 | T | 95.5 | Very high | 92.5 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.7 | 55 | 0 | 0 | 0 | 0 | 111.2 | I254 L255 L256 V261 T262 | I254-T258 HydrophobicContact CG2-CG2 4.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.33Å; I254-T258 PolarHBondContact O-N 2.85Å; I254-T258 PolarHBondContact O-OG1 3.08Å; L255-T258 PolarHBondContact O-N 3.1Å; L255-T258 PolarHBondContact O-OG1 3.33Å; L256-T258 PolarHBondContact O-N 3.2Å; T258-V261 PolarHBondContact O-N 3.29Å; T258-T262 WeakPolarHBondContact O-CG2 3.49Å; T258-T262 PolarHBondContact O-N 3.38Å; T258-T262 PolarHBondContact O-OG1 3.49Å; T258-T262 VanDerWaalsContact O-OG1 3.09Å |
| 259 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 178.7 | -94.6 | 175.6 | 0 | 0 | 0 | 113.8 | L203 V207 F219 L255 L256 S257 V261 T262 L263 V339 L343 | L203-L259 HydrophobicContact CD1-CD1 4.44Å; L203-L259 HydrophobicContact CD2-CD1 3.77Å; L203-L259 HydrophobicContact CD2-CD2 3.12Å; L203-L259 HydrophobicContact CD2-CG 3.49Å; L203-L259 VanDerWaalsContact CD2-CG 3.49Å; V207-L259 HydrophobicContact CG2-CD2 3.97Å; F219-L259 HydrophobicContact CD2-CD1 3.32Å; F219-L259 HydrophobicContact CE2-CD1 3.47Å; F219-L259 VanDerWaalsContact CE2-CD1 3.47Å; F219-L259 HydrophobicContact CG-CD1 4.18Å; F219-L259 HydrophobicContact CZ-CD1 4.41Å; L255-L259 HydrophobicContact CD2-CD1 4.02Å; L255-L259 PolarHBondContact O-N 3.47Å; L255-L259 VanDerWaalsContact O-N 3.13Å; L256-L259 PolarHBondContact O-N 3.37Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.25Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 3.1Å; L259-T262 PolarHBondContact O-N 2.77Å; L259-T262 PolarHBondContact O-OG1 3.18Å; L259-L263 HydrophobicContact CD2-CD1 4.25Å; L259-L263 HydrophobicContact CD2-CG 4.37Å; L259-L263 VanDerWaalsContact O-CB 3.25Å; L259-L263 WeakPolarHBondContact O-CB 3.41Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.2Å; L259-L263 PolarHBondContact O-N 3.27Å; L259-V339 HydrophobicContact CB-CG1 4.12Å; L259-V339 HydrophobicContact CD1-CG1 3.6Å; L259-V339 HydrophobicContact CG-CG1 4.32Å; L259-L343 HydrophobicContact CD2-CD1 3.64Å |
| 260 | F | 95.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 176 | -87.9 | -73.4 | 0 | 0 | 0 | 111 | L256 S257 T264 I269 L273 T274 V277 Q335 L338 V339 | L256-F260 VanDerWaalsContact O-CD2 3.23Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 2.92Å; S257-F260 PolarHBondContact O-N 3.22Å; F260-T264 WeakPolarHBondContact O-CB 3.24Å; F260-T264 PolarHBondContact O-N 2.91Å; F260-T264 PolarHBondContact O-OG1 3.4Å; F260-I269 HydrophobicContact CD1-CD1 3.85Å; F260-I269 HydrophobicContact CE1-CD1 4.11Å; F260-L273 HydrophobicContact CD1-CD2 4.32Å; F260-L273 HydrophobicContact CE1-CD2 3.79Å; F260-T274 HydrophobicContact CB-CG2 4.19Å; F260-T274 HydrophobicContact CD1-CG2 3.79Å; F260-T274 HydrophobicContact CG-CG2 4.47Å; F260-V277 HydrophobicContact CD2-CG1 4Å; F260-V277 HydrophobicContact CE1-CG1 4.45Å; F260-V277 HydrophobicContact CE1-CG2 4.36Å; F260-V277 HydrophobicContact CE2-CG1 3.88Å; F260-V277 HydrophobicContact CG-CG1 4.39Å; F260-V277 HydrophobicContact CZ-CG1 4.11Å; F260-V277 HydrophobicContact CZ-CG2 4.41Å; F260-Q335 HydrophobicContact CE2-CB 4.34Å; F260-Q335 HydrophobicContact CZ-CB 4.23Å; F260-Q335 HydrophobicContact CZ-CG 4.26Å; F260-L338 HydrophobicContact CE1-CD2 3.78Å; F260-L338 HydrophobicContact CZ-CD2 4.19Å; F260-V339 HydrophobicContact CD2-CG2 4.09Å; F260-V339 HydrophobicContact CE1-CG2 4.13Å; F260-V339 HydrophobicContact CE2-CG2 3.56Å; F260-V339 HydrophobicContact CZ-CG2 3.59Å |
| 261 | V | 95.7 | Very high | 93 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | S257 T258 L259 T264 Y265 L278 | S257-V261 WeakPolarHBondContact O-CG2 3.15Å; S257-V261 PolarHBondContact O-N 3.24Å; S257-V261 VanDerWaalsContact O-N 3.16Å; T258-V261 PolarHBondContact O-N 3.29Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 3.1Å; V261-T264 WeakPolarHBondContact O-CB 3.47Å; V261-T264 PolarHBondContact O-N 2.88Å; V261-Y265 PolarHBondContact O-N 3.28Å; V261-L278 HydrophobicContact CG2-CD1 3.75Å |
| 262 | T | 95.5 | Very high | 93 | Very high | 18 Ų | 18 | 47 Ų | 47 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.4 | -33.2 | -177 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | G204 V208 T258 L259 Y265 N266 | G204-T262 VanDerWaalsContact CA-CG2 3.43Å; V208-T262 HydrophobicContact CG2-CG2 3.96Å; T258-T262 WeakPolarHBondContact O-CG2 3.49Å; T258-T262 PolarHBondContact O-N 3.38Å; T258-T262 PolarHBondContact O-OG1 3.49Å; T258-T262 VanDerWaalsContact O-OG1 3.09Å; L259-T262 PolarHBondContact O-N 2.77Å; L259-T262 PolarHBondContact O-OG1 3.18Å; T262-Y265 WeakPolarHBondContact O-CB 3.37Å; T262-Y265 PolarHBondContact O-N 3.04Å; T262-N266 PolarHBondContact O-N 2.87Å |
| 263 | L | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.6 | -32.2 | 173.1 | -70 | 169.7 | 0 | 0 | 0 | 111.9 | V207 L259 Y265 N266 L268 I269 V339 | V207-L263 HydrophobicContact CG1-CD2 3.76Å; V207-L263 HydrophobicContact CG1-CG 4.21Å; L259-L263 HydrophobicContact CD2-CD1 4.25Å; L259-L263 HydrophobicContact CD2-CG 4.37Å; L259-L263 VanDerWaalsContact O-CB 3.25Å; L259-L263 WeakPolarHBondContact O-CB 3.41Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.2Å; L259-L263 PolarHBondContact O-N 3.27Å; L263-Y265 VanDerWaalsContact C-N 3.34Å; L263-N266 PolarHBondContact O-N 2.99Å; L263-L268 HydrophobicContact CB-CB 4.45Å; L263-L268 HydrophobicContact CD2-CB 4.39Å; L263-L268 HydrophobicContact CD2-CD2 3.95Å; L263-L268 WeakPolarHBondContact O-CB 3.19Å; L263-L268 PolarHBondContact O-N 3.27Å; L263-I269 HydrophobicContact CB-CD1 3.66Å; L263-I269 HydrophobicContact CB-CG1 3.91Å; L263-I269 HydrophobicContact CD1-CD1 3.79Å; L263-I269 HydrophobicContact CG-CD1 4.38Å; L263-I269 PolarHBondContact O-N 2.81Å; L263-V339 HydrophobicContact CD1-CG1 4.28Å |
| 264 | T | 94.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 170.5 | -51.5 | 0 | 0 | 0 | 0 | 111 | F260 V261 N266 D267 V271 T274 | F260-T264 WeakPolarHBondContact O-CB 3.24Å; F260-T264 PolarHBondContact O-N 2.91Å; F260-T264 PolarHBondContact O-OG1 3.4Å; V261-T264 WeakPolarHBondContact O-CB 3.47Å; V261-T264 PolarHBondContact O-N 2.88Å; T264-N266 PolarHBondContact O-N 2.69Å; T264-D267 PolarHBondContact O-N 3.46Å; T264-V271 HydrophobicContact CG2-CB 4.27Å; T264-V271 HydrophobicContact CG2-CG2 3.66Å; T264-T274 VanDerWaalsContact OG1-CB 3.31Å; T264-T274 WeakPolarHBondContact OG1-CB 3.23Å; T264-T274 WeakPolarHBondContact OG1-CG2 3.29Å; T264-T274 PolarHBondContact OG1-OG1 3.45Å; T264-T274 VanDerWaalsContact OG1-OG1 3.06Å |
| 265 | Y | 95 | Very high | 93.2 | Very high | 169 Ų | 169 | 44.8 Ų | 44.8 | 66% | 0.663 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.1 | -33.8 | -179.8 | 179.2 | -94.5 | 0 | 0 | 0 | 112.5 | V208 V261 T262 L263 D267 | V208-Y265 HydrophobicContact CG1-CD1 4.1Å; V208-Y265 HydrophobicContact CG1-CE1 3.84Å; V208-Y265 HydrophobicContact CG2-CD1 4.03Å; V261-Y265 PolarHBondContact O-N 3.28Å; T262-Y265 WeakPolarHBondContact O-CB 3.37Å; T262-Y265 PolarHBondContact O-N 3.04Å; L263-Y265 VanDerWaalsContact C-N 3.34Å; Y265-D267 VanDerWaalsContact C-N 3.26Å; Y265-D267 PolarHBondContact O-N 3.15Å |
| 266 | N | 93 | Very high | 93.1 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 12 | 175 | -69.3 | -0.3 | 0 | 0 | 0 | 113.6 | V207 Y212 T262 L263 T264 L268 | V207-N266 PolarHBondContact O-ND2 3.02Å; Y212-N266 PolarHBondContact OH-ND2 3.05Å; T262-N266 PolarHBondContact O-N 2.87Å; L263-N266 PolarHBondContact O-N 2.99Å; T264-N266 PolarHBondContact O-N 2.69Å; N266-L268 HydrophobicContact CB-CD1 3.63Å; N266-L268 WeakPolarHBondContact O-CD1 3.3Å; N266-L268 PolarHBondContact O-N 3.1Å; N266-L268 VanDerWaalsContact O-N 3.1Å |
| 267 | D | 89.5 | Confident | 93 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 77% | 0.765 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 17.8 | -176.8 | -61.4 | -54.5 | 0 | 0 | 0 | 115 | T264 Y265 | T264-D267 PolarHBondContact O-N 3.46Å; Y265-D267 VanDerWaalsContact C-N 3.26Å; Y265-D267 PolarHBondContact O-N 3.15Å |
| 268 | L | 87.5 | Confident | 93 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -77.8 | -24.1 | 174.9 | -88.4 | 76.8 | 0 | 0 | 0 | 112.6 | Y212 L263 N266 T342 P346 W360 | Y212-L268 HydrophobicContact CE1-CD1 4.43Å; Y212-L268 HydrophobicContact CE1-CD2 4.12Å; L263-L268 HydrophobicContact CB-CB 4.45Å; L263-L268 HydrophobicContact CD2-CB 4.39Å; L263-L268 HydrophobicContact CD2-CD2 3.95Å; L263-L268 WeakPolarHBondContact O-CB 3.19Å; L263-L268 PolarHBondContact O-N 3.27Å; N266-L268 HydrophobicContact CB-CD1 3.63Å; N266-L268 WeakPolarHBondContact O-CD1 3.3Å; N266-L268 PolarHBondContact O-N 3.1Å; N266-L268 VanDerWaalsContact O-N 3.1Å; L268-T342 WeakPolarHBondContact CD2-O 3.47Å; L268-P346 HydrophobicContact CD2-CG 3.95Å; L268-W360 WeakPolarHBondContact O-CZ2 3.27Å |
| 269 | I | 88.6 | Confident | 92.9 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -127.4 | 132.4 | 177.1 | -59.9 | 179.6 | 0 | 0 | 0 | 108.6 | F260 L263 V271 L273 T274 L338 T342 | F260-I269 HydrophobicContact CD1-CD1 3.85Å; F260-I269 HydrophobicContact CE1-CD1 4.11Å; L263-I269 HydrophobicContact CB-CD1 3.66Å; L263-I269 HydrophobicContact CB-CG1 3.91Å; L263-I269 HydrophobicContact CD1-CD1 3.79Å; L263-I269 HydrophobicContact CG-CD1 4.38Å; L263-I269 PolarHBondContact O-N 2.81Å; I269-V271 PolarHBondContact O-N 3.47Å; I269-L273 HydrophobicContact CG2-CB 4.27Å; I269-L273 HydrophobicContact CG2-CD2 3.86Å; I269-L273 HydrophobicContact CG2-CG 4.47Å; I269-T274 HydrophobicContact CB-CG2 4.07Å; I269-T274 HydrophobicContact CG2-CG2 3.37Å; I269-L338 HydrophobicContact CD1-CD2 3.87Å; I269-T342 HydrophobicContact CD1-CG2 4.27Å; I269-T342 HydrophobicContact CG1-CG2 3.96Å |
| 270 | P | 91.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 54 Ų | 54 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | trans | -65 | 135.6 | 179.2 | 26.6 | -35.2 | 0 | 0 | 0 | 111.9 | P272 L273 T274 W360 | P270-P272 VanDerWaalsContact C-CD 3.41Å; P270-P272 VanDerWaalsContact C-N 3.33Å; P270-L273 HydrophobicContact CG-CB 4Å; P270-L273 WeakPolarHBondContact O-CB 3.33Å; P270-L273 PolarHBondContact O-N 2.56Å; P270-T274 PolarHBondContact O-N 3.12Å; P270-W360 HydrophobicContact CG-CD2 4.04Å; P270-W360 HydrophobicContact CG-CE3 3.88Å; P270-W360 HydrophobicContact CG-CG 4.41Å; P270-W360 HydrophobicContact CG-CZ3 4.33Å | ||
| 271 | V | 93.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -50.5 | -42.3 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | T264 I269 L273 T274 V275 | T264-V271 HydrophobicContact CG2-CB 4.27Å; T264-V271 HydrophobicContact CG2-CG2 3.66Å; I269-V271 PolarHBondContact O-N 3.47Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 2.63Å; V271-T274 PolarHBondContact O-N 3.12Å; V271-T274 PolarHBondContact O-OG1 3.48Å; V271-T274 VanDerWaalsContact O-OG1 3.08Å; V271-V275 HydrophobicContact CG1-CG2 4.1Å; V271-V275 WeakPolarHBondContact O-CG2 3.28Å; V271-V275 PolarHBondContact O-N 3.48Å |
| 272 | P | 93.5 | Very high | 92.3 | Very high | 100 Ų | 100 | 54 Ų | 54 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.4 | -37 | 177.6 | -26.1 | 35.5 | 0 | 0 | 0 | 113.7 | P270 L276 | P270-P272 VanDerWaalsContact C-CD 3.41Å; P270-P272 VanDerWaalsContact C-N 3.33Å; P272-L276 WeakPolarHBondContact O-CB 3.3Å; P272-L276 PolarHBondContact O-N 3.24Å |
| 273 | L | 90.9 | Very high | 92.1 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 179.7 | -171.1 | 155.1 | 0 | 0 | 0 | 110.4 | F260 I269 P270 V271 L276 V277 L338 W360 | F260-L273 HydrophobicContact CD1-CD2 4.32Å; F260-L273 HydrophobicContact CE1-CD2 3.79Å; I269-L273 HydrophobicContact CG2-CB 4.27Å; I269-L273 HydrophobicContact CG2-CD2 3.86Å; I269-L273 HydrophobicContact CG2-CG 4.47Å; P270-L273 HydrophobicContact CG-CB 4Å; P270-L273 WeakPolarHBondContact O-CB 3.33Å; P270-L273 PolarHBondContact O-N 2.56Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 2.63Å; L273-L276 WeakPolarHBondContact O-CB 2.98Å; L273-L276 PolarHBondContact O-N 3.49Å; L273-V277 HydrophobicContact CD2-CG2 3.85Å; L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 3.49Å; L273-L338 HydrophobicContact CD1-CD1 4Å; L273-L338 HydrophobicContact CD2-CD1 4.24Å; L273-W360 HydrophobicContact CD1-CB 3.67Å; L273-W360 HydrophobicContact CD1-CG 3.96Å |
| 274 | T | 93.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | -177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | F260 T264 I269 P270 V271 L276 V277 L278 | F260-T274 HydrophobicContact CB-CG2 4.19Å; F260-T274 HydrophobicContact CD1-CG2 3.79Å; F260-T274 HydrophobicContact CG-CG2 4.47Å; T264-T274 VanDerWaalsContact OG1-CB 3.31Å; T264-T274 WeakPolarHBondContact OG1-CB 3.23Å; T264-T274 WeakPolarHBondContact OG1-CG2 3.29Å; T264-T274 PolarHBondContact OG1-OG1 3.45Å; T264-T274 VanDerWaalsContact OG1-OG1 3.06Å; I269-T274 HydrophobicContact CB-CG2 4.07Å; I269-T274 HydrophobicContact CG2-CG2 3.37Å; P270-T274 PolarHBondContact O-N 3.12Å; V271-T274 PolarHBondContact O-N 3.12Å; V271-T274 PolarHBondContact O-OG1 3.48Å; V271-T274 VanDerWaalsContact O-OG1 3.08Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 2.95Å; T274-V277 PolarHBondContact O-N 3.27Å; T274-L278 VanDerWaalsContact O-CB 3.28Å; T274-L278 WeakPolarHBondContact O-CB 3.36Å; T274-L278 VanDerWaalsContact O-CG 3.26Å; T274-L278 WeakPolarHBondContact O-CG 3.43Å; T274-L278 PolarHBondContact O-N 2.88Å |
| 275 | V | 94.8 | Very high | 91.5 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 53% | 0.527 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 169.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V271 S279 | V271-V275 HydrophobicContact CG1-CG2 4.1Å; V271-V275 WeakPolarHBondContact O-CG2 3.28Å; V271-V275 PolarHBondContact O-N 3.48Å; V275-S279 WeakPolarHBondContact O-CB 3.2Å; V275-S279 PolarHBondContact O-N 2.71Å; V275-S279 PolarHBondContact O-OG 3.34Å |
| 276 | L | 92.2 | Very high | 91.3 | Very high | 116 Ų | 116 | 61 Ų | 61 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.3 | -46.9 | 177.6 | -172.8 | 158.4 | 0 | 0 | 0 | 111.7 | P272 L273 T274 S279 R280 | P272-L276 WeakPolarHBondContact O-CB 3.3Å; P272-L276 PolarHBondContact O-N 3.24Å; L273-L276 WeakPolarHBondContact O-CB 2.98Å; L273-L276 PolarHBondContact O-N 3.49Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 2.95Å; L276-S279 PolarHBondContact O-OG 2.73Å; L276-R280 WeakPolarHBondContact O-CB 3.31Å; L276-R280 PolarHBondContact O-N 2.66Å; L276-R280 VanDerWaalsContact O-N 3.13Å |
| 277 | V | 91.7 | Very high | 91 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | -179.8 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | F260 L273 T274 R280 D281 Q335 | F260-V277 HydrophobicContact CD2-CG1 4Å; F260-V277 HydrophobicContact CE1-CG1 4.45Å; F260-V277 HydrophobicContact CE1-CG2 4.36Å; F260-V277 HydrophobicContact CE2-CG1 3.88Å; F260-V277 HydrophobicContact CG-CG1 4.39Å; F260-V277 HydrophobicContact CZ-CG1 4.11Å; F260-V277 HydrophobicContact CZ-CG2 4.41Å; L273-V277 HydrophobicContact CD2-CG2 3.85Å; L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 3.49Å; T274-V277 PolarHBondContact O-N 3.27Å; V277-R280 PolarHBondContact O-N 2.87Å; V277-D281 PolarHBondContact O-N 2.84Å; V277-D281 VanDerWaalsContact O-N 3.08Å; V277-Q335 VanDerWaalsContact CG1-NE2 3.25Å |
| 278 | L | 93.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | -179.2 | -69.5 | 174.4 | 0 | 0 | 0 | 112.1 | V261 T274 R280 D281 T282 | V261-L278 HydrophobicContact CG2-CD1 3.75Å; T274-L278 VanDerWaalsContact O-CB 3.28Å; T274-L278 WeakPolarHBondContact O-CB 3.36Å; T274-L278 VanDerWaalsContact O-CG 3.26Å; T274-L278 WeakPolarHBondContact O-CG 3.43Å; T274-L278 PolarHBondContact O-N 2.88Å; L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 3.42Å; L278-D281 PolarHBondContact O-N 3.06Å; L278-T282 WeakPolarHBondContact O-CB 3.48Å; L278-T282 VanDerWaalsContact O-CG2 3.32Å; L278-T282 WeakPolarHBondContact O-CG2 3.41Å; L278-T282 PolarHBondContact O-N 3.15Å; L278-T282 PolarHBondContact O-OG1 2.67Å |
| 279 | S | 93.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | V275 L276 T282 A283 | V275-S279 WeakPolarHBondContact O-CB 3.2Å; V275-S279 PolarHBondContact O-N 2.71Å; V275-S279 PolarHBondContact O-OG 3.34Å; L276-S279 PolarHBondContact O-OG 2.73Å; S279-T282 WeakPolarHBondContact CA-OG1 3.46Å; S279-T282 PolarHBondContact O-OG1 3.05Å; S279-A283 WeakPolarHBondContact O-CB 3.37Å; S279-A283 PolarHBondContact O-N 3.08Å |
| 280 | R | 91.9 | Very high | 90.4 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 173.6 | -175.9 | -151.4 | 67.9 | -164.8 | -8.4 | 111.8 | L276 V277 L278 A283 L284 N331 | L276-R280 WeakPolarHBondContact O-CB 3.31Å; L276-R280 PolarHBondContact O-N 2.66Å; L276-R280 VanDerWaalsContact O-N 3.13Å; V277-R280 PolarHBondContact O-N 2.87Å; L278-R280 VanDerWaalsContact C-N 3.32Å; L278-R280 PolarHBondContact O-N 3.42Å; R280-A283 PolarHBondContact O-N 3.46Å; R280-L284 HydrophobicContact CG-CD1 4.46Å; R280-L284 WeakPolarHBondContact O-CG 3.46Å; R280-L284 PolarHBondContact O-N 2.88Å; R280-N331 PolarHBondContact NH1-ND2 2.74Å; R280-N331 PolarHBondContact NH1-OD1 3.21Å |
| 281 | D | 91 | Very high | 89.9 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.07 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | -176.8 | -83.5 | -6.7 | 0 | 0 | 0 | 112.5 | K253 V277 L278 L284 I285 | K253-D281 WeakPolarHBondContact CD-OD2 3.39Å; K253-D281 VanDerWaalsContact NZ-CG 3.32Å; K253-D281 IonicContact NZ-OD1 2.69Å; K253-D281 PolarHBondContact NZ-OD1 3.37Å; K253-D281 IonicContact NZ-OD2 3.06Å; K253-D281 PolarHBondContact NZ-OD2 2.81Å; V277-D281 PolarHBondContact O-N 2.84Å; V277-D281 VanDerWaalsContact O-N 3.08Å; L278-D281 PolarHBondContact O-N 3.06Å; D281-L284 PolarHBondContact O-N 3.5Å; D281-I285 WeakPolarHBondContact O-CG1 3.26Å; D281-I285 PolarHBondContact O-N 3.34Å |
| 282 | T | 90.8 | Very high | 89.3 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 41% | 0.405 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 172.9 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | L278 S279 L284 I285 F286 | L278-T282 WeakPolarHBondContact O-CB 3.48Å; L278-T282 VanDerWaalsContact O-CG2 3.32Å; L278-T282 WeakPolarHBondContact O-CG2 3.41Å; L278-T282 PolarHBondContact O-N 3.15Å; L278-T282 PolarHBondContact O-OG1 2.67Å; S279-T282 WeakPolarHBondContact CA-OG1 3.46Å; S279-T282 PolarHBondContact O-OG1 3.05Å; T282-L284 VanDerWaalsContact C-N 3.31Å; T282-L284 PolarHBondContact O-N 3.01Å; T282-I285 PolarHBondContact O-N 3.16Å; T282-I285 VanDerWaalsContact O-N 3.15Å; T282-F286 WeakPolarHBondContact O-CD2 3.43Å; T282-F286 PolarHBondContact O-N 3.35Å |
| 283 | A | 90.9 | Very high | 88.6 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S279 R280 F286 A287 | S279-A283 WeakPolarHBondContact O-CB 3.37Å; S279-A283 PolarHBondContact O-N 3.08Å; R280-A283 PolarHBondContact O-N 3.46Å; A283-F286 PolarHBondContact O-N 2.79Å; A283-A287 VanDerWaalsContact O-CB 3.25Å; A283-A287 WeakPolarHBondContact O-CB 3.48Å; A283-A287 PolarHBondContact O-N 2.84Å |
| 284 | L | 87.4 | Confident | 88.1 | Confident | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.1 | -72.8 | 174.3 | 0 | 0 | 0 | 112.3 | R280 D281 T282 S288 | R280-L284 HydrophobicContact CG-CD1 4.46Å; R280-L284 WeakPolarHBondContact O-CG 3.46Å; R280-L284 PolarHBondContact O-N 2.88Å; D281-L284 PolarHBondContact O-N 3.5Å; T282-L284 VanDerWaalsContact C-N 3.31Å; T282-L284 PolarHBondContact O-N 3.01Å; L284-S288 WeakPolarHBondContact O-CB 3.42Å; L284-S288 PolarHBondContact O-N 2.79Å; L284-S288 PolarHBondContact O-OG 2.88Å |
| 285 | I | 88.5 | Confident | 87 | Confident | 88 Ų | 88 | 72 Ų | 72 | 45% | 0.451 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 174.9 | -66.2 | 164.3 | 0 | 0 | 0 | 109.7 | D281 T282 A287 S288 I289 | D281-I285 WeakPolarHBondContact O-CG1 3.26Å; D281-I285 PolarHBondContact O-N 3.34Å; T282-I285 PolarHBondContact O-N 3.16Å; T282-I285 VanDerWaalsContact O-N 3.15Å; I285-A287 PolarHBondContact O-N 2.78Å; I285-S288 WeakPolarHBondContact O-CB 3.39Å; I285-S288 PolarHBondContact O-N 3.22Å; I285-I289 HydrophobicContact CG2-CD1 3.89Å; I285-I289 WeakPolarHBondContact O-CG1 3.32Å; I285-I289 PolarHBondContact O-N 3.1Å |
| 286 | F | 90.7 | Very high | 85.7 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 63% | 0.627 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 178 | -78.9 | -65.6 | 0 | 0 | 0 | 112.8 | T282 A283 S288 I289 F290 | T282-F286 WeakPolarHBondContact O-CD2 3.43Å; T282-F286 PolarHBondContact O-N 3.35Å; A283-F286 PolarHBondContact O-N 2.79Å; F286-S288 VanDerWaalsContact C-N 3.3Å; F286-S288 PolarHBondContact O-N 2.79Å; F286-I289 PolarHBondContact O-N 2.77Å; F286-F290 WeakPolarHBondContact O-CB 3.26Å; F286-F290 PolarHBondContact O-N 3.11Å |
| 287 | A | 86.8 | Confident | 84.1 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A283 I285 F290 I291 | A283-A287 VanDerWaalsContact O-CB 3.25Å; A283-A287 WeakPolarHBondContact O-CB 3.48Å; A283-A287 PolarHBondContact O-N 2.84Å; I285-A287 PolarHBondContact O-N 2.78Å; A287-F290 PolarHBondContact O-N 2.98Å; A287-I291 VanDerWaalsContact O-CG1 3.26Å; A287-I291 WeakPolarHBondContact O-CG1 3.17Å; A287-I291 PolarHBondContact O-N 3.32Å |
| 288 | S | 82.7 | Confident | 82.5 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.5 | L284 I285 F286 R292 | L284-S288 WeakPolarHBondContact O-CB 3.42Å; L284-S288 PolarHBondContact O-N 2.79Å; L284-S288 PolarHBondContact O-OG 2.88Å; I285-S288 WeakPolarHBondContact O-CB 3.39Å; I285-S288 PolarHBondContact O-N 3.22Å; F286-S288 VanDerWaalsContact C-N 3.3Å; F286-S288 PolarHBondContact O-N 2.79Å; S288-R292 PolarHBondContact O-N 3.31Å; S288-R292 VanDerWaalsContact O-N 3.1Å |
| 289 | I | 84.7 | Confident | 80.6 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176 | -66.5 | 167.1 | 0 | 0 | 0 | 110.3 | I285 F286 I291 R292 L293 F307 | I285-I289 HydrophobicContact CG2-CD1 3.89Å; I285-I289 WeakPolarHBondContact O-CG1 3.32Å; I285-I289 PolarHBondContact O-N 3.1Å; F286-I289 PolarHBondContact O-N 2.77Å; I289-I291 PolarHBondContact O-N 3.46Å; I289-R292 WeakPolarHBondContact O-CB 3.49Å; I289-R292 PolarHBondContact O-N 2.84Å; I289-R292 VanDerWaalsContact O-N 3.16Å; I289-L293 HydrophobicContact CG2-CD1 3.83Å; I289-L293 HydrophobicContact CG2-CG 4.19Å; I289-L293 VanDerWaalsContact O-CG 3.3Å; I289-L293 WeakPolarHBondContact O-CG 3.45Å; I289-L293 PolarHBondContact O-N 2.79Å; I289-F307 HydrophobicContact CG2-CE2 4.31Å; I289-F307 HydrophobicContact CG2-CZ 4.07Å |
| 290 | F | 85.3 | Confident | 78.7 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | -179.5 | -177.7 | -105 | 0 | 0 | 0 | 113 | F286 A287 R292 L293 K294 | F286-F290 WeakPolarHBondContact O-CB 3.26Å; F286-F290 PolarHBondContact O-N 3.11Å; A287-F290 PolarHBondContact O-N 2.98Å; F290-R292 VanDerWaalsContact C-N 3.32Å; F290-R292 PolarHBondContact O-N 2.8Å; F290-L293 PolarHBondContact O-N 3.39Å; F290-K294 HydrophobicContact CD1-CD 4.36Å; F290-K294 HydrophobicContact CE1-CD 3.76Å; F290-K294 VanDerWaalsContact CE1-CE 3.5Å; F290-K294 HydrophobicContact CZ-CD 3.97Å; F290-K294 PolarHBondContact O-N 3.32Å |
| 291 | I | 82.3 | Confident | 76.9 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.2 | -68.4 | 165.9 | 0 | 0 | 0 | 110.6 | A287 I289 K294 S295 | A287-I291 VanDerWaalsContact O-CG1 3.26Å; A287-I291 WeakPolarHBondContact O-CG1 3.17Å; A287-I291 PolarHBondContact O-N 3.32Å; I289-I291 PolarHBondContact O-N 3.46Å; I291-K294 PolarHBondContact O-N 2.87Å; I291-S295 PolarHBondContact O-N 3.37Å; I291-S295 PolarHBondContact O-OG 3.2Å; I291-S295 VanDerWaalsContact O-OG 3.13Å |
| 292 | R | 78.5 | Confident | 75.1 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 16% | 0.162 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.5 | -174.3 | 60.7 | 167.9 | -165.4 | -7.2 | 111.9 | S288 I289 F290 K294 S295 I296 F307 K312 P313 | S288-R292 PolarHBondContact O-N 3.31Å; S288-R292 VanDerWaalsContact O-N 3.1Å; I289-R292 WeakPolarHBondContact O-CB 3.49Å; I289-R292 PolarHBondContact O-N 2.84Å; I289-R292 VanDerWaalsContact O-N 3.16Å; F290-R292 VanDerWaalsContact C-N 3.32Å; F290-R292 PolarHBondContact O-N 2.8Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.12Å; R292-S295 WeakPolarHBondContact CA-OG 3.38Å; R292-S295 PolarHBondContact O-N 3.35Å; R292-S295 PolarHBondContact O-OG 2.72Å; R292-I296 HydrophobicContact CG-CD1 4.01Å; R292-I296 WeakPolarHBondContact O-CG1 3.42Å; R292-I296 PolarHBondContact O-N 3.1Å; R292-I296 VanDerWaalsContact O-N 3.17Å; R292-F307 HydrophobicContact CB-CE2 4.29Å; R292-F307 HydrophobicContact CG-CD2 4.25Å; R292-F307 HydrophobicContact CG-CE2 3.93Å; R292-K312 PolarHBondContact NH2-O 3.44Å; R292-K312 VanDerWaalsContact NH2-O 3.07Å; R292-P313 PolarHBondContact NH1-O 3.12Å |
| 293 | L | 80.9 | Confident | 73.4 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.6 | -70.4 | 172 | 0 | 0 | 0 | 112 | I289 F290 S297 F307 | I289-L293 HydrophobicContact CG2-CD1 3.83Å; I289-L293 HydrophobicContact CG2-CG 4.19Å; I289-L293 VanDerWaalsContact O-CG 3.3Å; I289-L293 WeakPolarHBondContact O-CG 3.45Å; I289-L293 PolarHBondContact O-N 2.79Å; F290-L293 PolarHBondContact O-N 3.39Å; L293-S297 PolarHBondContact O-N 2.76Å; L293-S297 PolarHBondContact O-OG 2.98Å; L293-F307 HydrophobicContact CD2-CD2 3.56Å; L293-F307 HydrophobicContact CD2-CE2 3.71Å; L293-F307 HydrophobicContact CD2-CG 4.43Å; L293-F307 HydrophobicContact CG-CD2 4.3Å; L293-F307 HydrophobicContact CG-CE2 4Å |
| 294 | K | 79 | Confident | 71.9 | Confident | 131 Ų | 131 | 96.1 Ų | 96.1 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68 | -38.9 | 174.9 | -81.3 | -171.2 | 167.8 | 179.4 | 0 | 113.5 | F290 I291 R292 | F290-K294 HydrophobicContact CD1-CD 4.36Å; F290-K294 HydrophobicContact CE1-CD 3.76Å; F290-K294 VanDerWaalsContact CE1-CE 3.5Å; F290-K294 HydrophobicContact CZ-CD 3.97Å; F290-K294 PolarHBondContact O-N 3.32Å; I291-K294 PolarHBondContact O-N 2.87Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.12Å |
| 295 | S | 70.5 | Confident | 70.8 | Confident | 47 Ų | 47 | 103 Ų | 103 | 33% | 0.329 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.5 | -31.7 | -179 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | I291 R292 | I291-S295 PolarHBondContact O-N 3.37Å; I291-S295 PolarHBondContact O-OG 3.2Å; I291-S295 VanDerWaalsContact O-OG 3.13Å; R292-S295 WeakPolarHBondContact CA-OG 3.38Å; R292-S295 PolarHBondContact O-N 3.35Å; R292-S295 PolarHBondContact O-OG 2.72Å |
| 296 | I | 67.3 | Low | 69.6 | Low | 30 Ų | 30 | 100.1 Ų | 100.1 | 15% | 0.154 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -75 | -33.7 | 178.2 | -65.5 | 169.2 | 0 | 0 | 0 | 112.1 | R292 V298 D299 T306 F307 | R292-I296 HydrophobicContact CG-CD1 4.01Å; R292-I296 WeakPolarHBondContact O-CG1 3.42Å; R292-I296 PolarHBondContact O-N 3.1Å; R292-I296 VanDerWaalsContact O-N 3.17Å; I296-V298 PolarHBondContact O-N 3.28Å; I296-D299 PolarHBondContact O-N 3.03Å; I296-T306 HydrophobicContact CG2-CG2 3.95Å; I296-F307 HydrophobicContact CD1-CB 4.44Å; I296-F307 HydrophobicContact CD1-CD2 4.15Å |
| 297 | S | 59.2 | Low | 68.2 | Low | 99 Ų | 99 | 96 Ų | 96 | 69% | 0.692 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.6 | -174.8 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | L293 | L293-S297 PolarHBondContact O-N 2.76Å; L293-S297 PolarHBondContact O-OG 2.98Å |
| 298 | V | 58.4 | Low | 67.2 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -29.1 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | I296 | I296-V298 PolarHBondContact O-N 3.28Š|
| 299 | D | 52.1 | Low | 66.2 | Low | 134 Ų | 134 | 100.1 Ų | 100.1 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -14.7 | -163.5 | -85.7 | -20.7 | 0 | 0 | 0 | 116.9 | I296 | I296-D299 PolarHBondContact O-N 3.03Š|
| 300 | S | 53.3 | Low | 64.8 | Low | 72 Ų | 72 | 101.6 Ų | 101.6 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -164.8 | 145.9 | -179.7 | -80.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 301 | G | 53.9 | Low | 63.3 | Low | 66 Ų | 66 | 101.8 Ų | 101.8 | 68% | 0.68 | 53% | 0.527 | S | S | * | . | trans | -47.5 | 144.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S303 | G301-S303 PolarHBondContact O-N 3.47Š| ||
| 302 | K | 53.4 | Low | 61.9 | Low | 224 Ų | 224 | 100.7 Ų | 100.7 | 97% | 0.974 | 52% | 0.519 | S | S | * | . | trans | -48.9 | 94.9 | -176.5 | -62.7 | 170.7 | -178.5 | 171.6 | 0 | 112.4 | ||||
| 303 | S | 55 | Low | 60.5 | Low | 58 Ų | 58 | 104 Ų | 104 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | trans | -139.3 | 126.3 | 167.6 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | G301 R305 T306 | G301-S303 PolarHBondContact O-N 3.47Å; S303-R305 PolarHBondContact O-N 2.95Å; S303-R305 VanDerWaalsContact O-N 3.09Å; S303-R305 PolarHBondContact OG-N 3.08Å; S303-T306 WeakPolarHBondContact O-CB 3.31Å; S303-T306 PolarHBondContact O-N 2.91Å | ||
| 304 | W | 61.2 | Low | 59.2 | Low | 215 Ų | 215 | 104.2 Ų | 104.2 | 81% | 0.814 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -51.9 | -29.4 | 173.4 | -67.6 | 89.5 | 0 | 0 | 0 | 112.4 | T306 F307 F308 | W304-T306 VanDerWaalsContact C-N 3.26Å; W304-T306 PolarHBondContact O-N 2.81Å; W304-F307 WeakPolarHBondContact O-CB 3.5Å; W304-F307 PolarHBondContact O-N 2.82Å; W304-F307 VanDerWaalsContact O-N 3.17Å; W304-F308 VanDerWaalsContact O-CD2 3.28Å; W304-F308 WeakPolarHBondContact O-CD2 3.46Å; W304-F308 PolarHBondContact O-N 3.36Å |
| 305 | R | 63.2 | Low | 57.8 | Low | 211 Ų | 211 | 102.7 Ų | 102.7 | 80% | 0.796 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.1 | -30.6 | 177.8 | -62.6 | -176.6 | 178.1 | 170.3 | -0.2 | 113 | S303 F307 F308 D309 | S303-R305 PolarHBondContact O-N 2.95Å; S303-R305 VanDerWaalsContact O-N 3.09Å; S303-R305 PolarHBondContact OG-N 3.08Å; R305-F307 VanDerWaalsContact C-N 3.34Å; R305-F308 PolarHBondContact O-N 2.87Å; R305-D309 PolarHBondContact O-N 2.8Å |
| 306 | T | 63.1 | Low | 57.1 | Low | 27 Ų | 27 | 106.4 Ų | 106.4 | 17% | 0.166 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -74.8 | -27.3 | 177.7 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | I296 S303 W304 D309 | I296-T306 HydrophobicContact CG2-CG2 3.95Å; S303-T306 WeakPolarHBondContact O-CB 3.31Å; S303-T306 PolarHBondContact O-N 2.91Å; W304-T306 VanDerWaalsContact C-N 3.26Å; W304-T306 PolarHBondContact O-N 2.81Å; T306-D309 WeakPolarHBondContact O-CB 3.42Å; T306-D309 PolarHBondContact O-N 3.32Å |
| 307 | F | 61.5 | Low | 56.1 | Low | 58 Ų | 58 | 110.4 Ų | 110.4 | 25% | 0.254 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -44.7 | 172.3 | 178.4 | -96.6 | 0 | 0 | 0 | 111.1 | I289 R292 L293 I296 W304 R305 D309 | I289-F307 HydrophobicContact CG2-CE2 4.31Å; I289-F307 HydrophobicContact CG2-CZ 4.07Å; R292-F307 HydrophobicContact CB-CE2 4.29Å; R292-F307 HydrophobicContact CG-CD2 4.25Å; R292-F307 HydrophobicContact CG-CE2 3.93Å; L293-F307 HydrophobicContact CD2-CD2 3.56Å; L293-F307 HydrophobicContact CD2-CE2 3.71Å; L293-F307 HydrophobicContact CD2-CG 4.43Å; L293-F307 HydrophobicContact CG-CD2 4.3Å; L293-F307 HydrophobicContact CG-CE2 4Å; I296-F307 HydrophobicContact CD1-CB 4.44Å; I296-F307 HydrophobicContact CD1-CD2 4.15Å; W304-F307 WeakPolarHBondContact O-CB 3.5Å; W304-F307 PolarHBondContact O-N 2.82Å; W304-F307 VanDerWaalsContact O-N 3.17Å; R305-F307 VanDerWaalsContact C-N 3.34Å; F307-D309 PolarHBondContact O-N 3.02Å |
| 308 | F | 66 | Low | 55.6 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 9.1 | 177 | -65.6 | -70.2 | 0 | 0 | 0 | 114.2 | W304 R305 I310 | W304-F308 VanDerWaalsContact O-CD2 3.28Å; W304-F308 WeakPolarHBondContact O-CD2 3.46Å; W304-F308 PolarHBondContact O-N 3.36Å; R305-F308 PolarHBondContact O-N 2.87Å; F308-I310 PolarHBondContact O-N 3.11Å |
| 309 | D | 61.6 | Low | 55.3 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | trans | -79.2 | 91.6 | 179 | -155 | 4.6 | 0 | 0 | 0 | 109.5 | R305 T306 F307 T311 K312 | R305-D309 PolarHBondContact O-N 2.8Å; T306-D309 WeakPolarHBondContact O-CB 3.42Å; T306-D309 PolarHBondContact O-N 3.32Å; F307-D309 PolarHBondContact O-N 3.02Å; D309-T311 PolarHBondContact O-N 2.9Å; D309-T311 VanDerWaalsContact O-N 3.16Å; D309-K312 PolarHBondContact O-N 2.84Å | ||
| 310 | I | 54.9 | Low | 55.4 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.5 | -20.9 | -172.2 | -62.9 | 155.8 | 0 | 0 | 0 | 112 | I242 L243 F308 K312 | I242-I310 HydrophobicContact CG2-CG2 3.89Å; L243-I310 HydrophobicContact CD2-CD1 3.87Å; L243-I310 HydrophobicContact CD2-CG2 4.26Å; F308-I310 PolarHBondContact O-N 3.11Å; I310-K312 VanDerWaalsContact C-N 3.32Å; I310-K312 PolarHBondContact O-N 3.33Å |
| 311 | T | 54 | Low | 55.2 | Low | 116 Ų | 116 | 109 Ų | 109 | 71% | 0.712 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -18.3 | -175.6 | -43.4 | 0 | 0 | 0 | 0 | 113.7 | D309 | D309-T311 PolarHBondContact O-N 2.9Å; D309-T311 VanDerWaalsContact O-N 3.16Å |
| 312 | K | 52.5 | Low | 55.3 | Low | 74 Ų | 74 | 112.9 Ų | 112.9 | 32% | 0.322 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -80.3 | 121.6 | 178.8 | -70.2 | -175.1 | -177.2 | -175.5 | 0 | 110.3 | R292 D309 I310 V314 | R292-K312 PolarHBondContact NH2-O 3.44Å; R292-K312 VanDerWaalsContact NH2-O 3.07Å; D309-K312 PolarHBondContact O-N 2.84Å; I310-K312 VanDerWaalsContact C-N 3.32Å; I310-K312 PolarHBondContact O-N 3.33Å; K312-V314 PolarHBondContact O-N 3.11Å |
| 313 | P | 49.8 | Very low | 55.6 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 131 | -178.2 | 22.5 | -32.3 | 0 | 0 | 0 | 110 | R292 V315 | R292-P313 PolarHBondContact NH1-O 3.12Å; P313-V315 PolarHBondContact O-N 2.89Å |
| 314 | V | 52.9 | Low | 56.3 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 53% | 0.527 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 129.2 | 166.4 | -175.3 | 0 | 0 | 0 | 0 | 105.5 | M246 K312 V316 | M246-V314 HydrophobicContact SD-CG2 4.33Å; K312-V314 PolarHBondContact O-N 3.11Å; V314-V316 PolarHBondContact O-N 3.22Å |
| 315 | V | 50 | Low | 56.4 | Low | 98 Ų | 98 | 101.7 Ų | 101.7 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | trans | -53.2 | 111 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 106.8 | P313 I317 | P313-V315 PolarHBondContact O-N 2.89Å; V315-I317 HydrophobicContact CG1-CG1 4.16Å; V315-I317 PolarHBondContact O-N 2.86Å | ||
| 316 | V | 55.5 | Low | 56.6 | Low | 125 Ų | 125 | 94.5 Ų | 94.5 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | trans | -70.7 | 91.2 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 104.4 | V314 T318 | V314-V316 PolarHBondContact O-N 3.22Å; V316-T318 PolarHBondContact O-N 3.15Å | ||
| 317 | I | 46.9 | Very low | 57.1 | Low | 114 Ų | 114 | 97.9 Ų | 97.9 | 59% | 0.585 | 56% | 0.556 | S | S | * | * | trans | -64.2 | 99.4 | 167.3 | -61.4 | 165.9 | 0 | 0 | 0 | 103.4 | V315 P319 | V315-I317 HydrophobicContact CG1-CG1 4.16Å; V315-I317 PolarHBondContact O-N 2.86Å; I317-P319 VanDerWaalsContact O-CD 3.23Å; I317-P319 WeakPolarHBondContact O-CD 3.3Å | ||
| 318 | T | 49.3 | Very low | 57.6 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 66% | 0.656 | 57% | 0.568 | S | S | * | * | trans | -49.6 | 114.8 | 163.3 | 42.6 | 0 | 0 | 0 | 0 | 105.1 | V316 S320 | V316-T318 PolarHBondContact O-N 3.15Å; T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.39Å | ||
| 319 | P | 50.7 | Low | 58.2 | Low | 85 Ų | 85 | 98.5 Ų | 98.5 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | trans | -63.2 | 100.9 | -178.6 | 23.9 | -31.2 | 0 | 0 | 0 | 106.5 | I317 L321 A325 | I317-P319 VanDerWaalsContact O-CD 3.23Å; I317-P319 WeakPolarHBondContact O-CD 3.3Å; P319-L321 PolarHBondContact O-N 3.2Å; P319-L321 VanDerWaalsContact O-N 3.09Å; P319-A325 HydrophobicContact CB-CB 3.96Å; P319-A325 HydrophobicContact CG-CB 4.41Å | ||
| 320 | S | 54.9 | Low | 59.2 | Low | 108 Ų | 108 | 99.8 Ų | 99.8 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -73.6 | 0.4 | -172.5 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | T318 | T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.39Å |
| 321 | L | 48.3 | Very low | 60.5 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -141.9 | 105 | 174.6 | -65.6 | 170.5 | 0 | 0 | 0 | 108.5 | P319 S323 K324 | P319-L321 PolarHBondContact O-N 3.2Å; P319-L321 VanDerWaalsContact O-N 3.09Å; L321-S323 PolarHBondContact O-N 3.04Å; L321-K324 PolarHBondContact O-N 3.25Å; L321-K324 VanDerWaalsContact O-N 3.08Å |
| 322 | I | 55.8 | Low | 61.9 | Low | 148 Ų | 148 | 94.3 Ų | 94.3 | 76% | 0.759 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -48.2 | -22.9 | 178 | -66.3 | 156.8 | 0 | 0 | 0 | 112.5 | S326 | I322-S326 WeakPolarHBondContact O-CB 3.47Å; I322-S326 PolarHBondContact O-OG 3.25Å |
| 323 | S | 60.8 | Low | 63.6 | Low | 74 Ų | 74 | 97.6 Ų | 97.6 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.9 | -44.6 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 114 | L321 V327 | L321-S323 PolarHBondContact O-N 3.04Å; S323-V327 WeakPolarHBondContact O-CB 3.48Å; S323-V327 WeakPolarHBondContact O-CG2 3.27Å; S323-V327 PolarHBondContact O-N 3.23Å |
| 324 | K | 68.5 | Low | 65.4 | Low | 153 Ų | 153 | 97 Ų | 97 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -39.5 | -170.7 | -66.1 | -176.3 | -177.7 | 179.6 | 0 | 112.8 | L321 K328 | L321-K324 PolarHBondContact O-N 3.25Å; L321-K324 VanDerWaalsContact O-N 3.08Å; K324-K328 PolarHBondContact O-N 3.49Å; K324-K328 VanDerWaalsContact O-N 3.09Å |
| 325 | A | 63.6 | Low | 67.1 | Low | 35 Ų | 35 | 93.2 Ų | 93.2 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P319 V327 K328 I329 | P319-A325 HydrophobicContact CB-CB 3.96Å; P319-A325 HydrophobicContact CG-CB 4.41Å; A325-V327 VanDerWaalsContact C-N 3.35Å; A325-V327 PolarHBondContact O-N 3.38Å; A325-K328 WeakPolarHBondContact O-CB 3.44Å; A325-K328 PolarHBondContact O-N 3.21Å; A325-K328 VanDerWaalsContact O-N 3.13Å; A325-I329 WeakPolarHBondContact O-CG1 3.31Å; A325-I329 PolarHBondContact O-N 3.25Å |
| 326 | S | 68 | Low | 69.1 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176 | -60 | 0 | 0 | 0 | 0 | 111.8 | I322 K328 I329 V330 | I322-S326 WeakPolarHBondContact O-CB 3.47Å; I322-S326 PolarHBondContact O-OG 3.25Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 PolarHBondContact O-N 3.5Å; S326-I329 PolarHBondContact O-N 3.27Å; S326-V330 VanDerWaalsContact O-CG2 3.32Å; S326-V330 WeakPolarHBondContact O-CG2 3.42Å; S326-V330 PolarHBondContact O-N 2.97Å |
| 327 | V | 73.3 | Confident | 70.7 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.6 | -39.4 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | S323 A325 I329 V330 N331 | S323-V327 WeakPolarHBondContact O-CB 3.48Å; S323-V327 WeakPolarHBondContact O-CG2 3.27Å; S323-V327 PolarHBondContact O-N 3.23Å; A325-V327 VanDerWaalsContact C-N 3.35Å; A325-V327 PolarHBondContact O-N 3.38Å; V327-I329 PolarHBondContact O-N 2.99Å; V327-V330 PolarHBondContact O-N 3.12Å; V327-N331 WeakPolarHBondContact O-CB 3.42Å; V327-N331 PolarHBondContact O-N 3.35Å |
| 328 | K | 72.4 | Confident | 72.8 | Confident | 119 Ų | 119 | 81.9 Ų | 81.9 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176 | -173.4 | -178 | 177.7 | -176 | 0 | 112.1 | K324 A325 S326 T332 | K324-K328 PolarHBondContact O-N 3.49Å; K324-K328 VanDerWaalsContact O-N 3.09Å; A325-K328 WeakPolarHBondContact O-CB 3.44Å; A325-K328 PolarHBondContact O-N 3.21Å; A325-K328 VanDerWaalsContact O-N 3.13Å; S326-K328 VanDerWaalsContact C-N 3.31Å; S326-K328 PolarHBondContact O-N 3.5Å; K328-T332 PolarHBondContact O-N 2.86Å; K328-T332 PolarHBondContact O-OG1 3.47Å |
| 329 | I | 77.8 | Confident | 74.9 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.9 | -49.7 | 178.1 | -68.5 | 161.9 | 0 | 0 | 0 | 110 | A325 S326 V327 N331 T332 F333 | A325-I329 WeakPolarHBondContact O-CG1 3.31Å; A325-I329 PolarHBondContact O-N 3.25Å; S326-I329 PolarHBondContact O-N 3.27Å; V327-I329 PolarHBondContact O-N 2.99Å; I329-N331 VanDerWaalsContact C-N 3.3Å; I329-N331 PolarHBondContact O-N 2.6Å; I329-T332 PolarHBondContact O-N 2.8Å; I329-T332 VanDerWaalsContact O-N 3.08Å; I329-F333 HydrophobicContact CG2-CD2 3.55Å; I329-F333 HydrophobicContact CG2-CE2 3.34Å; I329-F333 VanDerWaalsContact O-CD2 3.23Å; I329-F333 WeakPolarHBondContact O-CD2 3.43Å; I329-F333 PolarHBondContact O-N 3.06Å |
| 330 | V | 82.3 | Confident | 76.8 | Confident | 97 Ų | 97 | 75 Ų | 75 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.4 | -44.1 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S326 V327 T332 F333 L334 | S326-V330 VanDerWaalsContact O-CG2 3.32Å; S326-V330 WeakPolarHBondContact O-CG2 3.42Å; S326-V330 PolarHBondContact O-N 2.97Å; V327-V330 PolarHBondContact O-N 3.12Å; V330-T332 VanDerWaalsContact C-N 3.33Å; V330-T332 PolarHBondContact O-N 2.78Å; V330-F333 PolarHBondContact O-N 3.07Å; V330-L334 WeakPolarHBondContact O-CB 3.35Å; V330-L334 PolarHBondContact O-N 3.47Å |
| 331 | N | 83.9 | Confident | 78.5 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.1 | -166.5 | -9.7 | 0 | 0 | 0 | 112.1 | R280 V327 I329 L334 Q335 | R280-N331 PolarHBondContact NH1-ND2 2.74Å; R280-N331 PolarHBondContact NH1-OD1 3.21Å; V327-N331 WeakPolarHBondContact O-CB 3.42Å; V327-N331 PolarHBondContact O-N 3.35Å; I329-N331 VanDerWaalsContact C-N 3.3Å; I329-N331 PolarHBondContact O-N 2.6Å; N331-L334 PolarHBondContact O-N 2.6Å; N331-Q335 VanDerWaalsContact O-CG 3.31Å; N331-Q335 WeakPolarHBondContact O-CG 2.92Å; N331-Q335 PolarHBondContact O-N 3.16Å |
| 332 | T | 83.1 | Confident | 80.5 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 177.9 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | K328 I329 V330 Q335 I336 | K328-T332 PolarHBondContact O-N 2.86Å; K328-T332 PolarHBondContact O-OG1 3.47Å; I329-T332 PolarHBondContact O-N 2.8Å; I329-T332 VanDerWaalsContact O-N 3.08Å; V330-T332 VanDerWaalsContact C-N 3.33Å; V330-T332 PolarHBondContact O-N 2.78Å; T332-Q335 PolarHBondContact O-N 3.4Å; T332-I336 HydrophobicContact CG2-CD1 4.35Å; T332-I336 WeakPolarHBondContact O-CG1 3.17Å; T332-I336 PolarHBondContact O-N 2.96Å |
| 333 | F | 87.5 | Confident | 82.2 | Confident | 142 Ų | 142 | 62 Ų | 62 | 62% | 0.623 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 173.6 | -78 | -65.1 | 0 | 0 | 0 | 112.8 | I329 V330 Q335 I336 G337 | I329-F333 HydrophobicContact CG2-CD2 3.55Å; I329-F333 HydrophobicContact CG2-CE2 3.34Å; I329-F333 VanDerWaalsContact O-CD2 3.23Å; I329-F333 WeakPolarHBondContact O-CD2 3.43Å; I329-F333 PolarHBondContact O-N 3.06Å; V330-F333 PolarHBondContact O-N 3.07Å; F333-Q335 VanDerWaalsContact C-N 3.27Å; F333-Q335 PolarHBondContact O-N 2.7Å; F333-I336 PolarHBondContact O-N 2.88Å; F333-G337 PolarHBondContact O-N 2.81Å |
| 334 | L | 87.8 | Confident | 83.6 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 175.9 | -174.5 | 69 | 0 | 0 | 0 | 111.1 | V330 N331 G337 L338 | V330-L334 WeakPolarHBondContact O-CB 3.35Å; V330-L334 PolarHBondContact O-N 3.47Å; N331-L334 PolarHBondContact O-N 2.6Å; L334-G337 PolarHBondContact O-N 3.23Å; L334-L338 WeakPolarHBondContact O-CB 3.39Å; L334-L338 PolarHBondContact O-N 2.88Å |
| 335 | Q | 89.6 | Confident | 84.6 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | 176.4 | -75.2 | -177.9 | -22.1 | 0 | 0 | 113.4 | F260 V277 N331 T332 F333 G337 L338 V339 | F260-Q335 HydrophobicContact CE2-CB 4.34Å; F260-Q335 HydrophobicContact CZ-CB 4.23Å; F260-Q335 HydrophobicContact CZ-CG 4.26Å; V277-Q335 VanDerWaalsContact CG1-NE2 3.25Å; N331-Q335 VanDerWaalsContact O-CG 3.31Å; N331-Q335 WeakPolarHBondContact O-CG 2.92Å; N331-Q335 PolarHBondContact O-N 3.16Å; T332-Q335 PolarHBondContact O-N 3.4Å; F333-Q335 VanDerWaalsContact C-N 3.27Å; F333-Q335 PolarHBondContact O-N 2.7Å; Q335-G337 VanDerWaalsContact C-N 3.27Å; Q335-G337 PolarHBondContact O-N 2.65Å; Q335-L338 PolarHBondContact O-N 2.83Å; Q335-V339 WeakPolarHBondContact O-CG2 3.24Å; Q335-V339 PolarHBondContact O-N 3.22Å |
| 336 | I | 90.5 | Very high | 85.7 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 174 | -66.6 | 165.9 | 0 | 0 | 0 | 108.9 | L256 T332 F333 L338 V339 C340 | L256-I336 HydrophobicContact CD1-CG1 3.97Å; L256-I336 HydrophobicContact CD2-CG1 4.17Å; T332-I336 HydrophobicContact CG2-CD1 4.35Å; T332-I336 WeakPolarHBondContact O-CG1 3.17Å; T332-I336 PolarHBondContact O-N 2.96Å; F333-I336 PolarHBondContact O-N 2.88Å; I336-L338 PolarHBondContact O-N 3.35Å; I336-V339 PolarHBondContact O-N 3.4Å; I336-C340 PolarHBondContact O-N 2.81Å; I336-C340 PolarHBondContact O-SG 2.87Å |
| 337 | G | 90.7 | Very high | 86.7 | Confident | 26 Ų | 26 | 52 Ų | 52 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | F333 L334 Q335 V339 C340 I341 | F333-G337 PolarHBondContact O-N 2.81Å; L334-G337 PolarHBondContact O-N 3.23Å; Q335-G337 VanDerWaalsContact C-N 3.27Å; Q335-G337 PolarHBondContact O-N 2.65Å; G337-V339 PolarHBondContact O-N 3.25Å; G337-C340 WeakPolarHBondContact O-CB 3.46Å; G337-C340 PolarHBondContact O-N 3.06Å; G337-I341 WeakPolarHBondContact O-CB 3.05Å; G337-I341 VanDerWaalsContact O-CG1 3.26Å; G337-I341 WeakPolarHBondContact O-CG1 3.25Å; G337-I341 PolarHBondContact O-N 3.01Å |
| 338 | L | 90.5 | Very high | 87.3 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.5 | -176.2 | 160.4 | 0 | 0 | 0 | 111.2 | F260 I269 L273 L334 Q335 I336 I341 T342 L359 | F260-L338 HydrophobicContact CE1-CD2 3.78Å; F260-L338 HydrophobicContact CZ-CD2 4.19Å; I269-L338 HydrophobicContact CD1-CD2 3.87Å; L273-L338 HydrophobicContact CD1-CD1 4Å; L273-L338 HydrophobicContact CD2-CD1 4.24Å; L334-L338 WeakPolarHBondContact O-CB 3.39Å; L334-L338 PolarHBondContact O-N 2.88Å; Q335-L338 PolarHBondContact O-N 2.83Å; I336-L338 PolarHBondContact O-N 3.35Å; L338-I341 PolarHBondContact O-N 3.16Å; L338-T342 HydrophobicContact CD2-CG2 3.93Å; L338-T342 HydrophobicContact CG-CG2 4.47Å; L338-T342 WeakPolarHBondContact O-CB 3.39Å; L338-T342 VanDerWaalsContact O-CG2 3.23Å; L338-T342 WeakPolarHBondContact O-CG2 3.49Å; L338-T342 PolarHBondContact O-N 3.4Å; L338-T342 PolarHBondContact O-OG1 3.23Å; L338-L359 HydrophobicContact CB-CD2 3.62Å; L338-L359 HydrophobicContact CD1-CD2 4.03Å; L338-L359 HydrophobicContact CG-CD2 3.64Å |
| 339 | V | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | F219 L256 L259 F260 L263 Q335 I336 G337 I341 T342 L343 | F219-V339 HydrophobicContact CE1-CG1 4.35Å; F219-V339 HydrophobicContact CE2-CG1 4.09Å; F219-V339 HydrophobicContact CZ-CB 4.47Å; F219-V339 HydrophobicContact CZ-CG1 3.84Å; L256-V339 HydrophobicContact CD2-CG2 4.27Å; L259-V339 HydrophobicContact CB-CG1 4.12Å; L259-V339 HydrophobicContact CD1-CG1 3.6Å; L259-V339 HydrophobicContact CG-CG1 4.32Å; F260-V339 HydrophobicContact CD2-CG2 4.09Å; F260-V339 HydrophobicContact CE1-CG2 4.13Å; F260-V339 HydrophobicContact CE2-CG2 3.56Å; F260-V339 HydrophobicContact CZ-CG2 3.59Å; L263-V339 HydrophobicContact CD1-CG1 4.28Å; Q335-V339 WeakPolarHBondContact O-CG2 3.24Å; Q335-V339 PolarHBondContact O-N 3.22Å; I336-V339 PolarHBondContact O-N 3.4Å; G337-V339 PolarHBondContact O-N 3.25Å; V339-I341 PolarHBondContact O-N 3.06Å; V339-T342 WeakPolarHBondContact CA-OG1 3.42Å; V339-T342 PolarHBondContact O-OG1 3.35Å; V339-L343 WeakPolarHBondContact O-CB 3.49Å; V339-L343 PolarHBondContact O-N 3.31Å |
| 340 | C | 91.6 | Very high | 87.6 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 32% | 0.324 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.3 | -51.7 | 174 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | F219 I336 G337 A344 | F219-C340 HydrophobicContact CE1-CB 4.41Å; F219-C340 VanDerWaalsContact CE1-SG 3.5Å; I336-C340 PolarHBondContact O-N 2.81Å; I336-C340 PolarHBondContact O-SG 2.87Å; G337-C340 WeakPolarHBondContact O-CB 3.46Å; G337-C340 PolarHBondContact O-N 3.06Å; C340-A344 VanDerWaalsContact O-CB 3.23Å; C340-A344 WeakPolarHBondContact O-CB 3.23Å; C340-A344 PolarHBondContact O-N 2.69Å |
| 341 | I | 90.6 | Very high | 86.6 | Confident | 79 Ų | 79 | 60 Ų | 60 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | -174.1 | -68.2 | 165.7 | 0 | 0 | 0 | 110.5 | G337 L338 V339 L343 A344 A345 L356 L359 | G337-I341 WeakPolarHBondContact O-CB 3.05Å; G337-I341 VanDerWaalsContact O-CG1 3.26Å; G337-I341 WeakPolarHBondContact O-CG1 3.25Å; G337-I341 PolarHBondContact O-N 3.01Å; L338-I341 PolarHBondContact O-N 3.16Å; V339-I341 PolarHBondContact O-N 3.06Å; I341-L343 PolarHBondContact O-N 2.76Å; I341-A344 PolarHBondContact O-N 3.33Å; I341-A345 WeakPolarHBondContact O-CB 3.5Å; I341-A345 PolarHBondContact O-N 3.2Å; I341-L356 HydrophobicContact CG2-CD1 4.47Å; I341-L359 HydrophobicContact CD1-CD1 3.64Å |
| 342 | T | 90.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.4 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | L268 I269 L338 V339 A344 P346 L356 | L268-T342 WeakPolarHBondContact CD2-O 3.47Å; I269-T342 HydrophobicContact CD1-CG2 4.27Å; I269-T342 HydrophobicContact CG1-CG2 3.96Å; L338-T342 HydrophobicContact CD2-CG2 3.93Å; L338-T342 HydrophobicContact CG-CG2 4.47Å; L338-T342 WeakPolarHBondContact O-CB 3.39Å; L338-T342 VanDerWaalsContact O-CG2 3.23Å; L338-T342 WeakPolarHBondContact O-CG2 3.49Å; L338-T342 PolarHBondContact O-N 3.4Å; L338-T342 PolarHBondContact O-OG1 3.23Å; V339-T342 WeakPolarHBondContact CA-OG1 3.42Å; V339-T342 PolarHBondContact O-OG1 3.35Å; T342-A344 VanDerWaalsContact C-N 3.35Å; T342-P346 WeakPolarHBondContact O-CD 3.46Å; T342-L356 HydrophobicContact CG2-CD2 3.74Å |
| 343 | L | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.5 | -29.9 | 179.7 | -162.2 | 146.4 | 0 | 0 | 0 | 112.4 | V207 A215 L216 L259 V339 I341 P346 | V207-L343 HydrophobicContact CG2-CD1 4.05Å; A215-L343 HydrophobicContact CB-CD1 4.45Å; A215-L343 HydrophobicContact CB-CD2 4.3Å; L216-L343 HydrophobicContact CB-CD2 3.44Å; L216-L343 VanDerWaalsContact CB-CD2 3.44Å; L216-L343 HydrophobicContact CD1-CD2 3.5Å; L216-L343 VanDerWaalsContact CD1-CD2 3.5Å; L216-L343 HydrophobicContact CG-CD2 4.06Å; L259-L343 HydrophobicContact CD2-CD1 3.64Å; V339-L343 WeakPolarHBondContact O-CB 3.49Å; V339-L343 PolarHBondContact O-N 3.31Å; I341-L343 PolarHBondContact O-N 2.76Å; L343-P346 WeakPolarHBondContact O-CD 3.23Å |
| 344 | A | 91.3 | Very high | 83.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.5 | -23.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L216 C340 I341 T342 V347 W348 | L216-A344 HydrophobicContact CD1-CB 4.05Å; L216-A344 HydrophobicContact CD2-CB 4.3Å; C340-A344 VanDerWaalsContact O-CB 3.23Å; C340-A344 WeakPolarHBondContact O-CB 3.23Å; C340-A344 PolarHBondContact O-N 2.69Å; I341-A344 PolarHBondContact O-N 3.33Å; T342-A344 VanDerWaalsContact C-N 3.35Å; A344-V347 WeakPolarHBondContact O-CB 3.3Å; A344-V347 PolarHBondContact O-N 3Å; A344-W348 HydrophobicContact CB-CE3 3.6Å; A344-W348 HydrophobicContact CB-CH2 4.19Å; A344-W348 HydrophobicContact CB-CZ3 3.39Å; A344-W348 PolarHBondContact O-N 2.91Å |
| 345 | A | 88.2 | Confident | 82.6 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -50.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I341 V347 N349 I350 L356 | I341-A345 WeakPolarHBondContact O-CB 3.5Å; I341-A345 PolarHBondContact O-N 3.2Å; A345-V347 VanDerWaalsContact C-N 3.29Å; A345-V347 PolarHBondContact O-N 3.13Å; A345-N349 PolarHBondContact O-N 2.86Å; A345-N349 VanDerWaalsContact O-N 3.16Å; A345-I350 PolarHBondContact O-N 3.27Å; A345-I350 VanDerWaalsContact O-N 3.09Å; A345-L356 HydrophobicContact CB-CD1 4.24Å |
| 346 | P | 86.6 | Confident | 81.6 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 26% | 0.26 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.4 | 177.1 | 30.5 | -38.8 | 0 | 0 | 0 | 113.4 | Y212 L268 T342 L343 | Y212-P346 HydrophobicContact CD1-CG 3.77Å; Y212-P346 HydrophobicContact CD2-CB 3.54Å; Y212-P346 HydrophobicContact CD2-CG 3.56Å; Y212-P346 HydrophobicContact CE1-CG 4.19Å; Y212-P346 HydrophobicContact CE2-CB 3.81Å; Y212-P346 HydrophobicContact CE2-CG 4Å; Y212-P346 HydrophobicContact CG-CB 3.97Å; Y212-P346 HydrophobicContact CG-CG 3.42Å; Y212-P346 VanDerWaalsContact CG-CG 3.42Å; L268-P346 HydrophobicContact CD2-CG 3.95Å; T342-P346 WeakPolarHBondContact O-CD 3.46Å; L343-P346 WeakPolarHBondContact O-CD 3.23Å |
| 347 | V | 88.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -41 | -179.6 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | L216 A344 A345 | L216-V347 HydrophobicContact CD2-CG1 4.39Å; L216-V347 HydrophobicContact CD2-CG2 4.36Å; A344-V347 WeakPolarHBondContact O-CB 3.3Å; A344-V347 PolarHBondContact O-N 3Å; A345-V347 VanDerWaalsContact C-N 3.29Å; A345-V347 PolarHBondContact O-N 3.13Å |
| 348 | W | 86.3 | Confident | 80 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 65% | 0.648 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.3 | 179.5 | -69.5 | -46.2 | 0 | 0 | 0 | 113.8 | A344 I350 | A344-W348 HydrophobicContact CB-CE3 3.6Å; A344-W348 HydrophobicContact CB-CH2 4.19Å; A344-W348 HydrophobicContact CB-CZ3 3.39Å; A344-W348 PolarHBondContact O-N 2.91Å; W348-I350 HydrophobicContact CB-CD1 3.72Å; W348-I350 HydrophobicContact CB-CG1 3.63Å; W348-I350 HydrophobicContact CE3-CD1 4.02Å; W348-I350 HydrophobicContact CG-CD1 4.47Å; W348-I350 PolarHBondContact O-N 3.47Å; W348-I350 VanDerWaalsContact O-N 3.16Å |
| 349 | N | 79.9 | Confident | 79.1 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 38 | -175.2 | -67.3 | -50.2 | 0 | 0 | 0 | 112.7 | A345 E351 | A345-N349 PolarHBondContact O-N 2.86Å; A345-N349 VanDerWaalsContact O-N 3.16Å; N349-E351 PolarHBondContact O-N 3.04Å; N349-E351 VanDerWaalsContact O-N 3.16Å |
| 350 | I | 76.7 | Confident | 77.9 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | trans | -79.8 | 105.2 | -178.8 | -61.8 | 173.5 | 0 | 0 | 0 | 107.4 | A345 W348 C352 | A345-I350 PolarHBondContact O-N 3.27Å; A345-I350 VanDerWaalsContact O-N 3.09Å; W348-I350 HydrophobicContact CB-CD1 3.72Å; W348-I350 HydrophobicContact CB-CG1 3.63Å; W348-I350 HydrophobicContact CE3-CD1 4.02Å; W348-I350 HydrophobicContact CG-CD1 4.47Å; W348-I350 PolarHBondContact O-N 3.47Å; W348-I350 VanDerWaalsContact O-N 3.16Å; I350-C352 HydrophobicContact CG2-CB 3.64Å; I350-C352 WeakPolarHBondContact CG2-SG 3.46Å; I350-C352 PolarHBondContact O-N 2.95Å | ||
| 351 | E | 61 | Low | 77.3 | Confident | 188 Ų | 188 | 81.1 Ų | 81.1 | 88% | 0.879 | 40% | 0.403 | S | S | * | . | trans | -69.5 | 54.8 | 170.4 | -64.8 | -178.1 | 176.1 | 0 | 0 | 111.6 | N349 S353 | N349-E351 PolarHBondContact O-N 3.04Å; N349-E351 VanDerWaalsContact O-N 3.16Å; E351-S353 PolarHBondContact O-N 2.78Å | ||
| 352 | C | 59.7 | Low | 76.6 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | trans | -84 | 60 | -178.4 | -93.7 | 0 | 0 | 0 | 0 | 111.7 | I350 H354 L355 L356 | I350-C352 HydrophobicContact CG2-CB 3.64Å; I350-C352 WeakPolarHBondContact CG2-SG 3.46Å; I350-C352 PolarHBondContact O-N 2.95Å; C352-H354 VanDerWaalsContact C-N 3.27Å; C352-H354 PolarHBondContact O-N 3.26Å; C352-L355 HydrophobicContact CB-CB 4.03Å; C352-L356 HydrophobicContact CB-CD1 3.65Å; C352-L356 WeakPolarHBondContact O-CB 3.36Å; C352-L356 WeakPolarHBondContact O-CD1 3.24Å; C352-L356 PolarHBondContact O-N 2.96Å | ||
| 353 | S | 65 | Low | 75.8 | Confident | 80 Ų | 80 | 85.7 Ų | 85.7 | 56% | 0.559 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -38.3 | 177.3 | 64.5 | 0 | 0 | 0 | 0 | 112 | E351 R357 | E351-S353 PolarHBondContact O-N 2.78Å; S353-R357 VanDerWaalsContact O-CB 3.28Å; S353-R357 WeakPolarHBondContact O-CB 3.45Å; S353-R357 VanDerWaalsContact O-CD 3.22Å; S353-R357 WeakPolarHBondContact O-CD 3.49Å; S353-R357 WeakPolarHBondContact O-CG 3.49Å; S353-R357 PolarHBondContact O-N 3.42Å |
| 354 | H | 68.1 | Low | 74.9 | Confident | 146 Ų | 146 | 90.7 Ų | 90.7 | 68% | 0.676 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -79.2 | -48.2 | 176.9 | -86.8 | -64.6 | 0 | 0 | 0 | 113.4 | C352 L356 R357 T358 | C352-H354 VanDerWaalsContact C-N 3.27Å; C352-H354 PolarHBondContact O-N 3.26Å; H354-L356 PolarHBondContact O-N 3.14Å; H354-R357 PolarHBondContact O-N 3.25Å; H354-T358 WeakPolarHBondContact O-CG2 3.08Å; H354-T358 PolarHBondContact O-N 3.4Å; H354-T358 PolarHBondContact O-OG1 3Å |
| 355 | L | 66.5 | Low | 73.9 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.4 | -39.8 | -175.8 | -71.3 | -180 | 0 | 0 | 0 | 112.6 | C352 T358 L359 | C352-L355 HydrophobicContact CB-CB 4.03Å; L355-T358 WeakPolarHBondContact CA-OG1 3.19Å; L355-T358 PolarHBondContact O-N 3.27Å; L355-T358 PolarHBondContact O-OG1 3.01Å; L355-L359 VanDerWaalsContact O-CB 3.25Å; L355-L359 WeakPolarHBondContact O-CB 3.34Å; L355-L359 PolarHBondContact O-N 2.99Å; L355-L359 VanDerWaalsContact O-N 3.17Å |
| 356 | L | 68.4 | Low | 72.9 | Confident | 20 Ų | 20 | 101.5 Ų | 101.5 | 11% | 0.105 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 173.5 | -93.5 | 97.1 | 0 | 0 | 0 | 111.3 | I341 T342 A345 C352 H354 T358 L359 W360 | I341-L356 HydrophobicContact CG2-CD1 4.47Å; T342-L356 HydrophobicContact CG2-CD2 3.74Å; A345-L356 HydrophobicContact CB-CD1 4.24Å; C352-L356 HydrophobicContact CB-CD1 3.65Å; C352-L356 WeakPolarHBondContact O-CB 3.36Å; C352-L356 WeakPolarHBondContact O-CD1 3.24Å; C352-L356 PolarHBondContact O-N 2.96Å; H354-L356 PolarHBondContact O-N 3.14Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 2.96Å; L356-L359 PolarHBondContact O-N 2.89Å; L356-L359 VanDerWaalsContact O-N 3.12Å; L356-W360 HydrophobicContact CB-CD2 4.47Å; L356-W360 HydrophobicContact CB-CH2 4.38Å; L356-W360 HydrophobicContact CB-CZ2 3.92Å; L356-W360 HydrophobicContact CD2-CH2 4.2Å; L356-W360 HydrophobicContact CD2-CZ2 3.29Å; L356-W360 HydrophobicContact CG-CZ2 4.21Å; L356-W360 WeakPolarHBondContact O-CB 3.4Å; L356-W360 PolarHBondContact O-N 2.82Å |
| 357 | R | 72.1 | Confident | 71.9 | Confident | 181 Ų | 181 | 105.9 Ų | 105.9 | 68% | 0.683 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -30.4 | 178.9 | -77.8 | 178.7 | -176.1 | -139.6 | 2.1 | 114 | S353 H354 L359 W360 | S353-R357 VanDerWaalsContact O-CB 3.28Å; S353-R357 WeakPolarHBondContact O-CB 3.45Å; S353-R357 VanDerWaalsContact O-CD 3.22Å; S353-R357 WeakPolarHBondContact O-CD 3.49Å; S353-R357 WeakPolarHBondContact O-CG 3.49Å; S353-R357 PolarHBondContact O-N 3.42Å; H354-R357 PolarHBondContact O-N 3.25Å; R357-L359 VanDerWaalsContact C-N 3.35Å; R357-W360 HydrophobicContact CG-CE3 4.24Å; R357-W360 HydrophobicContact CG-CZ3 4.25Å |
| 358 | T | 75.4 | Confident | 70.7 | Confident | 106 Ų | 106 | 110.2 Ų | 110.2 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.6 | -24.4 | 174.2 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | H354 L355 L356 | H354-T358 WeakPolarHBondContact O-CG2 3.08Å; H354-T358 PolarHBondContact O-N 3.4Å; H354-T358 PolarHBondContact O-OG1 3Å; L355-T358 WeakPolarHBondContact CA-OG1 3.19Å; L355-T358 PolarHBondContact O-N 3.27Å; L355-T358 PolarHBondContact O-OG1 3.01Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 2.96Å |
| 359 | L | 70.9 | Confident | 69.4 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -89.7 | -28.7 | -176.7 | -166.4 | 138.3 | 0 | 0 | 0 | 111.9 | L338 I341 L355 L356 R357 | L338-L359 HydrophobicContact CB-CD2 3.62Å; L338-L359 HydrophobicContact CD1-CD2 4.03Å; L338-L359 HydrophobicContact CG-CD2 3.64Å; I341-L359 HydrophobicContact CD1-CD1 3.64Å; L355-L359 VanDerWaalsContact O-CB 3.25Å; L355-L359 WeakPolarHBondContact O-CB 3.34Å; L355-L359 PolarHBondContact O-N 2.99Å; L355-L359 VanDerWaalsContact O-N 3.17Å; L356-L359 PolarHBondContact O-N 2.89Å; L356-L359 VanDerWaalsContact O-N 3.12Å; R357-L359 VanDerWaalsContact C-N 3.35Å |
| 360 | W | 68.8 | Low | 68.4 | Low | 114 Ų | 114 | 102 Ų | 102 | 43% | 0.432 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 0 | 163.5 | -61.1 | -16 | 0 | 0 | 0 | 111.2 | L268 P270 L273 L356 R357 | L268-W360 WeakPolarHBondContact O-CZ2 3.27Å; P270-W360 HydrophobicContact CG-CD2 4.04Å; P270-W360 HydrophobicContact CG-CE3 3.88Å; P270-W360 HydrophobicContact CG-CG 4.41Å; P270-W360 HydrophobicContact CG-CZ3 4.33Å; L273-W360 HydrophobicContact CD1-CB 3.67Å; L273-W360 HydrophobicContact CD1-CG 3.96Å; L356-W360 HydrophobicContact CB-CD2 4.47Å; L356-W360 HydrophobicContact CB-CH2 4.38Å; L356-W360 HydrophobicContact CB-CZ2 3.92Å; L356-W360 HydrophobicContact CD2-CH2 4.2Å; L356-W360 HydrophobicContact CD2-CZ2 3.29Å; L356-W360 HydrophobicContact CG-CZ2 4.21Å; L356-W360 WeakPolarHBondContact O-CB 3.4Å; L356-W360 PolarHBondContact O-N 2.82Å; R357-W360 HydrophobicContact CG-CE3 4.24Å; R357-W360 HydrophobicContact CG-CZ3 4.25Å |
Retrieved 360 of 360 residues in 140.3 ms
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