| 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 | 57.3 | Low | 66.2 | Low | 221 Ų | 221 | 124.5 Ų | 124.5 | 100% | 1.089 | 64% | 0.642 | S | S | * | * | 0 | -32 | 0 | -62.7 | 179 | 85.7 | 0 | 0 | 113.3 | |||||
| 2 | F | 58.3 | Low | 65.9 | Low | 182 Ų | 182 | 123.8 Ų | 123.8 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -28.7 | -178.6 | -64.2 | -76.4 | 0 | 0 | 0 | 115.9 | G4 A5 L6 | F2-G4 VanDerWaalsContact C-N 3.32Å; F2-G4 PolarHBondContact O-N 3.36Å; F2-A5 PolarHBondContact O-N 2.92Å; F2-L6 WeakPolarHBondContact O-CB 3.46Å; F2-L6 PolarHBondContact O-N 3.42Å |
| 3 | L | 64.8 | Low | 65.4 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64 | -35.8 | 177.9 | -88.7 | 90.2 | 0 | 0 | 0 | 112.9 | L6 W7 | L3-L6 PolarHBondContact O-N 3.17Å; L3-W7 WeakPolarHBondContact O-CB 3.46Å; L3-W7 PolarHBondContact O-N 3.2Å |
| 4 | G | 71.4 | Confident | 64.7 | Low | 42 Ų | 42 | 123.4 Ų | 123.4 | 43% | 0.433 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2 W7 L8 | F2-G4 VanDerWaalsContact C-N 3.32Å; F2-G4 PolarHBondContact O-N 3.36Å; G4-W7 WeakPolarHBondContact O-CB 3.49Å; G4-W7 PolarHBondContact O-N 3.29Å; G4-L8 WeakPolarHBondContact O-CB 3.35Å; G4-L8 WeakPolarHBondContact O-CD1 3.4Å; G4-L8 PolarHBondContact O-N 3.11Å |
| 5 | A | 70.6 | Confident | 63.9 | Low | 49 Ų | 49 | 129.3 Ų | 129.3 | 41% | 0.405 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2 L8 L9 | F2-A5 PolarHBondContact O-N 2.92Å; A5-L8 PolarHBondContact O-N 3.35Å; A5-L9 WeakPolarHBondContact O-CB 3.03Å; A5-L9 PolarHBondContact O-N 3.05Å |
| 6 | L | 69.3 | Low | 63.1 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65 | -41.2 | 174.7 | -170.6 | 70.2 | 0 | 0 | 0 | 111.5 | F2 L3 L9 L10 | F2-L6 WeakPolarHBondContact O-CB 3.46Å; F2-L6 PolarHBondContact O-N 3.42Å; L3-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L10 PolarHBondContact O-N 3.37Å |
| 7 | W | 67.3 | Low | 62 | Low | 169 Ų | 169 | 127.2 Ų | 127.2 | 64% | 0.64 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.9 | -42.7 | 173.6 | -110.6 | 85.8 | 0 | 0 | 0 | 112.4 | L3 G4 L10 L11 | L3-W7 WeakPolarHBondContact O-CB 3.46Å; L3-W7 PolarHBondContact O-N 3.2Å; G4-W7 WeakPolarHBondContact O-CB 3.49Å; G4-W7 PolarHBondContact O-N 3.29Å; W7-L10 WeakPolarHBondContact O-CB 3.43Å; W7-L10 PolarHBondContact O-N 3.37Å; W7-L11 HydrophobicContact CE3-CD1 3.76Å; W7-L11 HydrophobicContact CE3-CG 4.17Å; W7-L11 HydrophobicContact CZ3-CD1 4.11Å; W7-L11 HydrophobicContact CZ3-CD2 4.38Å; W7-L11 HydrophobicContact CZ3-CG 4.43Å; W7-L11 WeakPolarHBondContact O-CG 3.15Å; W7-L11 PolarHBondContact O-N 2.99Å; W7-L11 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 66.9 | Low | 61 | Low | 112 Ų | 112 | 124.5 Ų | 124.5 | 59% | 0.586 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.4 | -45.6 | 175 | -92.8 | 141.8 | 0 | 0 | 0 | 111.7 | G4 A5 L10 L11 L12 | G4-L8 WeakPolarHBondContact O-CB 3.35Å; G4-L8 WeakPolarHBondContact O-CD1 3.4Å; G4-L8 PolarHBondContact O-N 3.11Å; A5-L8 PolarHBondContact O-N 3.35Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 3.07Å; L8-L11 VanDerWaalsContact O-N 3.11Å; L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 PolarHBondContact O-N 3.39Å |
| 9 | L | 69.4 | Low | 59.7 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 62% | 0.623 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -59.5 | -35.3 | 174.4 | -91.5 | 149.4 | 0 | 0 | 0 | 112.8 | A5 L6 L11 | A5-L9 WeakPolarHBondContact O-CB 3.03Å; A5-L9 PolarHBondContact O-N 3.05Å; L6-L9 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.34Å |
| 10 | L | 68.2 | Low | 58.7 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.4 | -27.7 | 176.6 | -149.7 | 85.2 | 0 | 0 | 0 | 112.9 | L6 W7 L8 P13 | L6-L10 PolarHBondContact O-N 3.37Å; W7-L10 WeakPolarHBondContact O-CB 3.43Å; W7-L10 PolarHBondContact O-N 3.37Å; L8-L10 VanDerWaalsContact C-N 3.26Å; L8-L10 PolarHBondContact O-N 3.04Å; L10-P13 WeakPolarHBondContact O-CD 3.36Å; L10-P13 WeakPolarHBondContact O-CG 3.49Å |
| 11 | L | 65 | Low | 58.1 | Low | 88 Ų | 88 | 124.5 Ų | 124.5 | 46% | 0.461 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -89.6 | -18.8 | -179.7 | -70.2 | 171.6 | 0 | 0 | 0 | 113.7 | W7 L8 L9 P13 L14 | W7-L11 HydrophobicContact CE3-CD1 3.76Å; W7-L11 HydrophobicContact CE3-CG 4.17Å; W7-L11 HydrophobicContact CZ3-CD1 4.11Å; W7-L11 HydrophobicContact CZ3-CD2 4.38Å; W7-L11 HydrophobicContact CZ3-CG 4.43Å; W7-L11 WeakPolarHBondContact O-CG 3.15Å; W7-L11 PolarHBondContact O-N 2.99Å; W7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 3.07Å; L8-L11 VanDerWaalsContact O-N 3.11Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-P13 VanDerWaalsContact C-CD 3.44Å; L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.01Å |
| 12 | L | 61.9 | Low | 57 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 60% | 0.602 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -55.7 | -38.1 | 177.5 | -105.6 | 79.1 | 0 | 0 | 0 | 115.6 | L8 L14 R15 | L8-L12 WeakPolarHBondContact O-CD1 3.36Å; L8-L12 PolarHBondContact O-N 3.39Å; L12-L14 PolarHBondContact O-N 3.49Å; L12-R15 PolarHBondContact O-N 3.12Å |
| 13 | P | 60 | Low | 56.4 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69.8 | -7.8 | 176.4 | 27.5 | -35.1 | 0 | 0 | 0 | 113.7 | L10 L11 | L10-P13 WeakPolarHBondContact O-CD 3.36Å; L10-P13 WeakPolarHBondContact O-CG 3.49Å; L11-P13 VanDerWaalsContact C-CD 3.44Å |
| 14 | L | 55.3 | Low | 55.2 | Low | 133 Ų | 133 | 121.8 Ų | 121.8 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -93.1 | 0.6 | 179 | -119.9 | 74.2 | 0 | 0 | 0 | 113.8 | L11 L12 P16 | L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.01Å; L12-L14 PolarHBondContact O-N 3.49Å; L14-P16 WeakPolarHBondContact O-CD 3.35Å |
| 15 | R | 52.1 | Low | 54.3 | Low | 212 Ų | 212 | 127.8 Ų | 127.8 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -78 | 109.1 | 178.6 | -169.2 | 79.7 | 174.6 | 157.2 | 1.5 | 109.4 | L12 | L12-R15 PolarHBondContact O-N 3.12Š| ||
| 16 | P | 51.7 | Low | 53.1 | Low | 92 Ų | 92 | 132.6 Ų | 132.6 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | trans | -68.1 | 136.7 | 175.9 | 28.8 | -33.1 | 0 | 0 | 0 | 109.7 | L14 | L14-P16 WeakPolarHBondContact O-CD 3.35Š| ||
| 17 | P | 44.2 | Very low | 52.1 | Low | 132 Ų | 132 | 132.2 Ų | 132.2 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -78.1 | 123.9 | 174.4 | 30.7 | -29.5 | 0 | 0 | 0 | 109.3 | ||
| 18 | G | 44.3 | Very low | 51.3 | Low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 91 | 89.6 | 162 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 19 | A | 37.1 | Very low | 50.9 | Low | 108 Ų | 108 | 128 Ų | 128 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -109.7 | 88.9 | 153 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 20 | Q | 39.8 | Very low | 50.1 | Low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | -110.1 | 126.3 | 157.9 | -70.1 | -167.5 | 12.9 | 0 | 0 | 106.4 | ||||
| 21 | G | 44.5 | Very low | 49.8 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | -69.2 | 148.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 22 | Q | 35.5 | Very low | 50 | Low | 193 Ų | 193 | 129 Ų | 129 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -157.9 | 124 | 148.1 | -149 | 117.7 | -15 | 0 | 0 | 108.4 | ||||
| 23 | E | 45.7 | Very low | 50.7 | Low | 195 Ų | 195 | 127.8 Ų | 127.8 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | trans | -61.2 | 126.4 | 165 | -81.1 | 164.7 | 124.4 | 0 | 0 | 109.9 | ||||
| 24 | A | 38.7 | Very low | 51.7 | Low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -164.2 | 130.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 25 | D | 52.1 | Low | 52.9 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 118.4 | -178.9 | -173.5 | 34.5 | 0 | 0 | 0 | 113.2 | ||||
| 26 | E | 45.9 | Very low | 54.3 | Low | 151 Ų | 151 | 119.7 Ų | 119.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 179.9 | 146 | 155.4 | -114.1 | -103.8 | 124.7 | 0 | 0 | 108.9 | T28 | E26-T28 VanDerWaalsContact C-N 3.26Å; E26-T28 PolarHBondContact O-N 3.27Å; E26-T28 PolarHBondContact O-OG1 3.05Å |
| 27 | P | 48.6 | Very low | 55.8 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -72.5 | 82.1 | 179.8 | 31.5 | -31.5 | 0 | 0 | 0 | 109.7 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.5Š| ||
| 28 | T | 50.1 | Low | 57.9 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -75.2 | 125.1 | -177.6 | 6.5 | 0 | 0 | 0 | 0 | 110.1 | E26 W30 | E26-T28 VanDerWaalsContact C-N 3.26Å; E26-T28 PolarHBondContact O-N 3.27Å; E26-T28 PolarHBondContact O-OG1 3.05Å; T28-W30 PolarHBondContact O-N 2.93Å | ||
| 29 | P | 59.8 | Low | 59.8 | Low | 93 Ų | 93 | 122.2 Ų | 122.2 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | trans | -71.4 | 98.9 | 168.6 | -8 | 23.9 | 0 | 0 | 0 | 107.8 | P27 | P27-P29 WeakPolarHBondContact O-CD 3.5Š| ||
| 30 | W | 51 | Low | 62.4 | Low | 189 Ų | 189 | 122.4 Ų | 122.4 | 72% | 0.716 | 66% | 0.664 | S | S | * | * | trans | -18 | 110.6 | 179.9 | -63.2 | 82.9 | 0 | 0 | 0 | 115 | T28 S32 V33 | T28-W30 PolarHBondContact O-N 2.93Å; W30-S32 PolarHBondContact O-N 3.44Å; W30-V33 HydrophobicContact CB-CB 4.36Å; W30-V33 HydrophobicContact CB-CG2 3.75Å; W30-V33 PolarHBondContact O-N 3.16Å | ||
| 31 | P | 63.1 | Low | 64.7 | Low | 100 Ų | 100 | 122 Ų | 122 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56.4 | -32.8 | 179.5 | -24.2 | 31.3 | 0 | 0 | 0 | 113.6 | V33 K34 G35 | P31-V33 VanDerWaalsContact C-N 3.32Å; P31-V33 PolarHBondContact O-N 3.31Å; P31-K34 PolarHBondContact O-N 3.43Å; P31-G35 PolarHBondContact O-N 3.32Å; P31-G35 VanDerWaalsContact O-N 3.16Å |
| 32 | S | 68.1 | Low | 66.9 | Low | 68 Ų | 68 | 123.8 Ų | 123.8 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.4 | -35.3 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | W30 G35 L36 | W30-S32 PolarHBondContact O-N 3.44Å; S32-G35 PolarHBondContact O-N 2.98Å; S32-L36 WeakPolarHBondContact O-CB 3.43Å; S32-L36 PolarHBondContact O-N 2.76Å |
| 33 | V | 76.9 | Confident | 69.5 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.4 | -36.7 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | W30 P31 K37 | W30-V33 HydrophobicContact CB-CB 4.36Å; W30-V33 HydrophobicContact CB-CG2 3.75Å; W30-V33 PolarHBondContact O-N 3.16Å; P31-V33 VanDerWaalsContact C-N 3.32Å; P31-V33 PolarHBondContact O-N 3.31Å; V33-K37 VanDerWaalsContact O-CB 3.25Å; V33-K37 WeakPolarHBondContact O-CB 3.33Å; V33-K37 PolarHBondContact O-N 3.3Å |
| 34 | K | 80.9 | Confident | 71.7 | Confident | 143 Ų | 143 | 109.3 Ų | 109.3 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -44.8 | 173.9 | -69.9 | -177.7 | -178.4 | 176.4 | 0 | 111.3 | P31 K37 E38 | P31-K34 PolarHBondContact O-N 3.43Å; K34-K37 PolarHBondContact O-N 3.06Å; K34-E38 PolarHBondContact O-N 3.18Å; K34-E38 VanDerWaalsContact O-N 3.07Å |
| 35 | G | 80 | Confident | 74.1 | Confident | 39 Ų | 39 | 107.4 Ų | 107.4 | 40% | 0.402 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | P31 S32 E38 Q39 | P31-G35 PolarHBondContact O-N 3.32Å; P31-G35 VanDerWaalsContact O-N 3.16Å; S32-G35 PolarHBondContact O-N 2.98Å; G35-E38 PolarHBondContact O-N 2.93Å; G35-Q39 WeakPolarHBondContact O-CG 3.41Å; G35-Q39 PolarHBondContact O-N 2.96Å |
| 36 | L | 83.2 | Confident | 75.7 | Confident | 102 Ų | 102 | 105.3 Ų | 105.3 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.6 | -43.1 | 175.7 | -179.3 | 65 | 0 | 0 | 0 | 111.9 | S32 E38 Q39 L40 | S32-L36 WeakPolarHBondContact O-CB 3.43Å; S32-L36 PolarHBondContact O-N 2.76Å; L36-E38 VanDerWaalsContact C-N 3.27Å; L36-E38 PolarHBondContact O-N 3.16Å; L36-Q39 PolarHBondContact O-N 3.43Å; L36-L40 HydrophobicContact CD1-CD1 4.42Å; L36-L40 HydrophobicContact CG-CD1 4.03Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 2.83Å |
| 37 | K | 82.8 | Confident | 77.7 | Confident | 146 Ų | 146 | 100.8 Ų | 100.8 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 176.7 | -177.8 | 174.5 | 178.4 | 173.4 | 0 | 111.5 | V33 K34 L40 R41 | V33-K37 VanDerWaalsContact O-CB 3.25Å; V33-K37 WeakPolarHBondContact O-CB 3.33Å; V33-K37 PolarHBondContact O-N 3.3Å; K34-K37 PolarHBondContact O-N 3.06Å; K37-L40 PolarHBondContact O-N 3.3Å; K37-R41 WeakPolarHBondContact O-CB 3.38Å; K37-R41 PolarHBondContact O-N 3.01Å |
| 38 | E | 88.3 | Confident | 79.6 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 177.7 | -172.4 | 56.7 | -156.9 | 0 | 0 | 112.1 | K34 G35 L36 R41 K42 | K34-E38 PolarHBondContact O-N 3.18Å; K34-E38 VanDerWaalsContact O-N 3.07Å; G35-E38 PolarHBondContact O-N 2.93Å; L36-E38 VanDerWaalsContact C-N 3.27Å; L36-E38 PolarHBondContact O-N 3.16Å; E38-R41 PolarHBondContact O-N 3.41Å; E38-K42 WeakPolarHBondContact O-CG 3.43Å; E38-K42 PolarHBondContact O-N 3.25Å; E38-K42 WeakPolarHBondContact OE1-CE 3.43Å |
| 39 | Q | 84.1 | Confident | 81.3 | Confident | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 173.6 | -68.8 | -66 | -19.4 | 0 | 0 | 111.9 | G35 L36 R41 K42 A43 | G35-Q39 WeakPolarHBondContact O-CG 3.41Å; G35-Q39 PolarHBondContact O-N 2.96Å; L36-Q39 PolarHBondContact O-N 3.43Å; Q39-R41 VanDerWaalsContact C-N 3.28Å; Q39-R41 PolarHBondContact O-N 2.91Å; Q39-K42 PolarHBondContact O-N 2.85Å; Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.25Å; Q39-A43 PolarHBondContact O-N 2.9Å |
| 40 | L | 90.9 | Very high | 82.6 | Confident | 112 Ų | 112 | 108.3 Ų | 108.3 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -34.6 | 174.7 | -78.3 | 167.5 | 0 | 0 | 0 | 112.2 | L36 K37 G44 | L36-L40 HydrophobicContact CD1-CD1 4.42Å; L36-L40 HydrophobicContact CG-CD1 4.03Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 2.83Å; K37-L40 PolarHBondContact O-N 3.3Å; L40-G44 WeakPolarHBondContact O-CA 3.37Å; L40-G44 PolarHBondContact O-N 3.02Å |
| 41 | R | 88.4 | Confident | 84.1 | Confident | 183 Ų | 183 | 106.5 Ų | 106.5 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -41.8 | 176.9 | -154.3 | -179.5 | -168.1 | 151.4 | 3.9 | 111.5 | K37 E38 Q39 G44 A45 | K37-R41 WeakPolarHBondContact O-CB 3.38Å; K37-R41 PolarHBondContact O-N 3.01Å; E38-R41 PolarHBondContact O-N 3.41Å; Q39-R41 VanDerWaalsContact C-N 3.28Å; Q39-R41 PolarHBondContact O-N 2.91Å; R41-G44 PolarHBondContact O-N 3.45Å; R41-A45 PolarHBondContact O-N 3.36Å |
| 42 | K | 90.2 | Very high | 85.2 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -49.1 | 174.4 | -70.6 | 174.4 | -177.9 | 177.4 | 0 | 111.6 | E38 Q39 G44 A45 L46 | E38-K42 WeakPolarHBondContact O-CG 3.43Å; E38-K42 PolarHBondContact O-N 3.25Å; E38-K42 WeakPolarHBondContact OE1-CE 3.43Å; Q39-K42 PolarHBondContact O-N 2.85Å; K42-G44 VanDerWaalsContact C-N 3.3Å; K42-G44 PolarHBondContact O-N 3.47Å; K42-A45 PolarHBondContact O-N 3.25Å; K42-L46 PolarHBondContact O-N 3.38Å; K42-L46 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 90.6 | Very high | 85.9 | Confident | 53 Ų | 53 | 108.7 Ų | 108.7 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q39 L46 S47 | Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.25Å; Q39-A43 PolarHBondContact O-N 2.9Å; A43-L46 PolarHBondContact O-N 3.37Å; A43-S47 VanDerWaalsContact O-CB 3.29Å; A43-S47 WeakPolarHBondContact O-CB 3.29Å; A43-S47 PolarHBondContact O-N 3.28Å; A43-S47 PolarHBondContact O-OG 2.98Å |
| 44 | G | 91.1 | Very high | 86 | Confident | 31 Ų | 31 | 107.4 Ų | 107.4 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L40 R41 K42 S47 K48 | L40-G44 WeakPolarHBondContact O-CA 3.37Å; L40-G44 PolarHBondContact O-N 3.02Å; R41-G44 PolarHBondContact O-N 3.45Å; K42-G44 VanDerWaalsContact C-N 3.3Å; K42-G44 PolarHBondContact O-N 3.47Å; G44-S47 WeakPolarHBondContact CA-OG 3.38Å; G44-S47 PolarHBondContact O-OG 3.3Å; G44-K48 VanDerWaalsContact O-CB 3.25Å; G44-K48 WeakPolarHBondContact O-CB 3.3Å; G44-K48 PolarHBondContact O-N 3.04Å |
| 45 | A | 90.4 | Very high | 85.9 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | R41 K42 R49 | R41-A45 PolarHBondContact O-N 3.36Å; K42-A45 PolarHBondContact O-N 3.25Å; A45-R49 PolarHBondContact O-N 2.79Å |
| 46 | L | 84.6 | Confident | 85.9 | Confident | 124 Ų | 124 | 103 Ų | 103 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -43.9 | 175.6 | -70.2 | 172 | 0 | 0 | 0 | 111.8 | K42 A43 K48 R49 Y50 | K42-L46 PolarHBondContact O-N 3.38Å; K42-L46 VanDerWaalsContact O-N 3.16Å; A43-L46 PolarHBondContact O-N 3.37Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-R49 PolarHBondContact O-N 3.38Å; L46-Y50 PolarHBondContact O-N 3.46Å |
| 47 | S | 88.1 | Confident | 85.6 | Confident | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 178.4 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | A43 G44 Y50 W51 | A43-S47 VanDerWaalsContact O-CB 3.29Å; A43-S47 WeakPolarHBondContact O-CB 3.29Å; A43-S47 PolarHBondContact O-N 3.28Å; A43-S47 PolarHBondContact O-OG 2.98Å; G44-S47 WeakPolarHBondContact CA-OG 3.38Å; G44-S47 PolarHBondContact O-OG 3.3Å; S47-Y50 PolarHBondContact O-N 2.74Å; S47-W51 VanDerWaalsContact O-CB 3.31Å; S47-W51 WeakPolarHBondContact O-CB 3.27Å; S47-W51 VanDerWaalsContact O-CD1 3.25Å; S47-W51 PolarHBondContact O-N 2.67Å |
| 48 | K | 89.1 | Confident | 85.2 | Confident | 134 Ų | 134 | 97.8 Ų | 97.8 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 176.4 | -172.2 | 179.7 | 178.7 | -173.2 | 0 | 111.8 | G44 L46 Y50 W51 E52 | G44-K48 VanDerWaalsContact O-CB 3.25Å; G44-K48 WeakPolarHBondContact O-CB 3.3Å; G44-K48 PolarHBondContact O-N 3.04Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-Y50 VanDerWaalsContact C-N 3.33Å; K48-Y50 PolarHBondContact O-N 2.77Å; K48-W51 PolarHBondContact O-N 3.49Å; K48-E52 VanDerWaalsContact CE-OE1 3.22Å; K48-E52 WeakPolarHBondContact CE-OE1 3.31Å; K48-E52 IonicContact NZ-OE1 3.99Å; K48-E52 PolarHBondContact O-N 3.43Å |
| 49 | R | 86.3 | Confident | 84.5 | Confident | 186 Ų | 186 | 101.4 Ų | 101.4 | 70% | 0.702 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 177.4 | -73.9 | -174.9 | 178.5 | -173.8 | -0.6 | 112.4 | A45 L46 L53 | A45-R49 PolarHBondContact O-N 2.79Å; L46-R49 PolarHBondContact O-N 3.38Å; R49-L53 PolarHBondContact O-N 2.9Å |
| 50 | Y | 85.6 | Confident | 83.5 | Confident | 141 Ų | 141 | 99.8 Ų | 99.8 | 55% | 0.553 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 174.5 | 172.7 | -92 | 0 | 0 | 0 | 111.3 | L46 S47 K48 E52 L53 F54 | L46-Y50 PolarHBondContact O-N 3.46Å; S47-Y50 PolarHBondContact O-N 2.74Å; K48-Y50 VanDerWaalsContact C-N 3.33Å; K48-Y50 PolarHBondContact O-N 2.77Å; Y50-E52 PolarHBondContact O-N 2.89Å; Y50-L53 PolarHBondContact O-N 3.34Å; Y50-F54 HydrophobicContact CE1-CB 4.18Å; Y50-F54 HydrophobicContact CE1-CG 4.34Å; Y50-F54 VanDerWaalsContact O-CB 3.27Å; Y50-F54 WeakPolarHBondContact O-CB 3.25Å; Y50-F54 PolarHBondContact O-N 3.34Å |
| 51 | W | 82.6 | Confident | 82.1 | Confident | 150 Ų | 150 | 101.3 Ų | 101.3 | 57% | 0.568 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | -178.6 | -92.1 | 110.7 | 0 | 0 | 0 | 113 | S47 K48 F54 S55 | S47-W51 VanDerWaalsContact O-CB 3.31Å; S47-W51 WeakPolarHBondContact O-CB 3.27Å; S47-W51 VanDerWaalsContact O-CD1 3.25Å; S47-W51 PolarHBondContact O-N 2.67Å; K48-W51 PolarHBondContact O-N 3.49Å; W51-F54 AromaticContact CE3-CD1 3.73Å; W51-F54 HydrophobicContact CE3-CD1 3.73Å; W51-F54 HydrophobicContact CE3-CE1 4.41Å; W51-F54 HydrophobicContact CH2-CD1 4.25Å; W51-F54 HydrophobicContact CH2-CE1 4.16Å; W51-F54 AromaticContact CZ3-CD1 3.48Å; W51-F54 HydrophobicContact CZ3-CD1 3.48Å; W51-F54 VanDerWaalsContact CZ3-CD1 3.48Å; W51-F54 AromaticContact CZ3-CE1 3.71Å; W51-F54 HydrophobicContact CZ3-CE1 3.71Å; W51-F54 PolarHBondContact O-N 3.21Å; W51-S55 WeakPolarHBondContact O-CB 3.49Å; W51-S55 PolarHBondContact O-N 3.48Å; W51-S55 PolarHBondContact O-OG 2.79Å |
| 52 | E | 87 | Confident | 81 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.9 | -76.3 | -179.8 | -174.8 | 0 | 0 | 111.7 | K48 Y50 S55 C56 | K48-E52 VanDerWaalsContact CE-OE1 3.22Å; K48-E52 WeakPolarHBondContact CE-OE1 3.31Å; K48-E52 IonicContact NZ-OE1 3.99Å; K48-E52 PolarHBondContact O-N 3.43Å; Y50-E52 PolarHBondContact O-N 2.89Å; E52-S55 WeakPolarHBondContact CA-OG 3.01Å; E52-S55 PolarHBondContact O-N 2.93Å; E52-S55 PolarHBondContact O-OG 3.36Å; E52-C56 PolarHBondContact O-N 2.75Å; E52-C56 VanDerWaalsContact O-N 3.15Å; E52-C56 PolarHBondContact O-SG 2.75Å |
| 53 | L | 81.8 | Confident | 80.1 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 176.9 | -70.6 | 169.8 | 0 | 0 | 0 | 112.2 | R49 Y50 C56 T57 | R49-L53 PolarHBondContact O-N 2.9Å; Y50-L53 PolarHBondContact O-N 3.34Å; L53-C56 PolarHBondContact O-N 2.97Å; L53-T57 PolarHBondContact O-N 3.15Å; L53-T57 VanDerWaalsContact O-N 3.08Å; L53-T57 PolarHBondContact O-OG1 3.39Å |
| 54 | F | 80.1 | Confident | 78.8 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 28% | 0.281 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 179 | -178.4 | -104.1 | 0 | 0 | 0 | 111.5 | Y50 W51 C56 T57 L58 | Y50-F54 HydrophobicContact CE1-CB 4.18Å; Y50-F54 HydrophobicContact CE1-CG 4.34Å; Y50-F54 VanDerWaalsContact O-CB 3.27Å; Y50-F54 WeakPolarHBondContact O-CB 3.25Å; Y50-F54 PolarHBondContact O-N 3.34Å; W51-F54 AromaticContact CE3-CD1 3.73Å; W51-F54 HydrophobicContact CE3-CD1 3.73Å; W51-F54 HydrophobicContact CE3-CE1 4.41Å; W51-F54 HydrophobicContact CH2-CD1 4.25Å; W51-F54 HydrophobicContact CH2-CE1 4.16Å; W51-F54 AromaticContact CZ3-CD1 3.48Å; W51-F54 HydrophobicContact CZ3-CD1 3.48Å; W51-F54 VanDerWaalsContact CZ3-CD1 3.48Å; W51-F54 AromaticContact CZ3-CE1 3.71Å; W51-F54 HydrophobicContact CZ3-CE1 3.71Å; W51-F54 PolarHBondContact O-N 3.21Å; F54-C56 PolarHBondContact O-N 2.81Å; F54-T57 WeakPolarHBondContact O-CB 3.22Å; F54-T57 PolarHBondContact O-N 2.88Å; F54-T57 VanDerWaalsContact O-N 3.15Å; F54-L58 HydrophobicContact CD1-CD1 3.81Å; F54-L58 HydrophobicContact CD1-CG 4.41Å; F54-L58 HydrophobicContact CE1-CD1 3.25Å; F54-L58 HydrophobicContact CE1-CG 4.05Å; F54-L58 HydrophobicContact CE2-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.65Å; F54-L58 HydrophobicContact CZ-CD2 4.32Å; F54-L58 HydrophobicContact CZ-CG 4.09Å; F54-L58 WeakPolarHBondContact O-CG 3.41Å; F54-L58 PolarHBondContact O-N 3.08Å; F54-L58 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 79.1 | Confident | 77.3 | Confident | 54 Ų | 54 | 108.3 Ų | 108.3 | 38% | 0.378 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | W51 E52 T57 L58 W59 | W51-S55 WeakPolarHBondContact O-CB 3.49Å; W51-S55 PolarHBondContact O-N 3.48Å; W51-S55 PolarHBondContact O-OG 2.79Å; E52-S55 WeakPolarHBondContact CA-OG 3.01Å; E52-S55 PolarHBondContact O-N 2.93Å; E52-S55 PolarHBondContact O-OG 3.36Å; S55-T57 VanDerWaalsContact C-N 3.26Å; S55-T57 PolarHBondContact O-N 3.15Å; S55-L58 PolarHBondContact O-N 3.48Å; S55-L58 VanDerWaalsContact O-N 3.15Å; S55-W59 PolarHBondContact O-N 2.93Å |
| 56 | C | 79.4 | Confident | 75.6 | Confident | 34 Ų | 34 | 111.9 Ų | 111.9 | 23% | 0.23 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | E52 L53 F54 L58 W59 P60 C63 | E52-C56 PolarHBondContact O-N 2.75Å; E52-C56 VanDerWaalsContact O-N 3.15Å; E52-C56 PolarHBondContact O-SG 2.75Å; L53-C56 PolarHBondContact O-N 2.97Å; F54-C56 PolarHBondContact O-N 2.81Å; C56-L58 VanDerWaalsContact C-N 3.31Å; C56-W59 CarbonylContact O-C 3.57Å; C56-P60 VanDerWaalsContact O-CA 3.29Å; C56-P60 WeakPolarHBondContact O-CA 3.37Å; C56-C63 WeakPolarHBondContact CA-SG 3.34Å; C56-C63 HydrophobicContact CB-CB 3.87Å; C56-C63 WeakPolarHBondContact CB-SG 3.49Å; C56-C63 WeakPolarHBondContact SG-CB 3.24Å; C56-C63 CovalentContact SG-SG 2.03Å; C56-C63 PolarHBondContact SG-SG 3.08Å |
| 57 | T | 76.5 | Confident | 74 | Confident | 78 Ų | 78 | 114.9 Ų | 114.9 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -32 | 174.9 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | L53 F54 S55 | L53-T57 PolarHBondContact O-N 3.15Å; L53-T57 VanDerWaalsContact O-N 3.08Å; L53-T57 PolarHBondContact O-OG1 3.39Å; F54-T57 WeakPolarHBondContact O-CB 3.22Å; F54-T57 PolarHBondContact O-N 2.88Å; F54-T57 VanDerWaalsContact O-N 3.15Å; S55-T57 VanDerWaalsContact C-N 3.26Å; S55-T57 PolarHBondContact O-N 3.15Å |
| 58 | L | 76.1 | Confident | 72.3 | Confident | 61 Ų | 61 | 116.6 Ų | 116.6 | 32% | 0.319 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -84.4 | -42.4 | 179.7 | -70.6 | 179.7 | 0 | 0 | 0 | 113.4 | F54 S55 C56 L77 | F54-L58 HydrophobicContact CD1-CD1 3.81Å; F54-L58 HydrophobicContact CD1-CG 4.41Å; F54-L58 HydrophobicContact CE1-CD1 3.25Å; F54-L58 HydrophobicContact CE1-CG 4.05Å; F54-L58 HydrophobicContact CE2-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.65Å; F54-L58 HydrophobicContact CZ-CD2 4.32Å; F54-L58 HydrophobicContact CZ-CG 4.09Å; F54-L58 WeakPolarHBondContact O-CG 3.41Å; F54-L58 PolarHBondContact O-N 3.08Å; F54-L58 VanDerWaalsContact O-N 3.08Å; S55-L58 PolarHBondContact O-N 3.48Å; S55-L58 VanDerWaalsContact O-N 3.15Å; C56-L58 VanDerWaalsContact C-N 3.31Å; L58-L77 HydrophobicContact CD2-CD1 3.52Å; L58-L77 HydrophobicContact CD2-CD2 3.84Å; L58-L77 HydrophobicContact CD2-CG 4.3Å |
| 59 | W | 72.2 | Confident | 70.4 | Confident | 167 Ų | 167 | 116.1 Ų | 116.1 | 63% | 0.633 | 57% | 0.572 | S | S | * | * | trans | -125.9 | 79.8 | -179.5 | -105.5 | -95.3 | 0 | 0 | 0 | 109.1 | S55 C56 D61 H62 | S55-W59 PolarHBondContact O-N 2.93Å; C56-W59 CarbonylContact O-C 3.57Å; W59-D61 PolarHBondContact O-N 3.41Å; W59-H62 PolarHBondContact O-N 3.28Å | ||
| 60 | P | 63.1 | Low | 69 | Low | 85 Ų | 85 | 111.8 Ų | 111.8 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -64.4 | -28.1 | -177 | 24 | -32.3 | 0 | 0 | 0 | 112.7 | C56 H62 C63 | C56-P60 VanDerWaalsContact O-CA 3.29Å; C56-P60 WeakPolarHBondContact O-CA 3.37Å; P60-H62 PolarHBondContact O-N 2.03Å; P60-H62 VanDerWaalsContact O-N 3.08Å; P60-C63 PolarHBondContact O-N 3.15Å |
| 61 | D | 61.4 | Low | 67.4 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -69.7 | -2.1 | -178.2 | -55.5 | -48.2 | 0 | 0 | 0 | 114.7 | W59 | W59-D61 PolarHBondContact O-N 3.41Š|
| 62 | H | 64.8 | Low | 66 | Low | 159 Ų | 159 | 108.6 Ų | 108.6 | 74% | 0.736 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -116.8 | 5.3 | -177.1 | -76.7 | 15.1 | 0 | 0 | 0 | 113.7 | W59 P60 | W59-H62 PolarHBondContact O-N 3.28Å; P60-H62 PolarHBondContact O-N 2.03Å; P60-H62 VanDerWaalsContact O-N 3.08Å |
| 63 | C | 72 | Confident | 64.5 | Low | 41 Ų | 41 | 108.1 Ų | 108.1 | 28% | 0.277 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -110.1 | 124.7 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | C56 P60 D65 | C56-C63 WeakPolarHBondContact CA-SG 3.34Å; C56-C63 HydrophobicContact CB-CB 3.87Å; C56-C63 WeakPolarHBondContact CB-SG 3.49Å; C56-C63 WeakPolarHBondContact SG-CB 3.24Å; C56-C63 CovalentContact SG-SG 2.03Å; C56-C63 PolarHBondContact SG-SG 3.08Å; P60-C63 PolarHBondContact O-N 3.15Å; C63-D65 PolarHBondContact O-N 2.86Å |
| 64 | E | 63.2 | Low | 63 | Low | 180 Ų | 180 | 107 Ų | 107 | 84% | 0.841 | 60% | 0.597 | S | S | * | * | trans | -53.1 | 132.2 | 174.5 | -63.7 | -80.4 | 139.6 | 0 | 0 | 109.8 | Q66 | E64-Q66 PolarHBondContact O-N 2.97Š| ||
| 65 | D | 59.8 | Low | 61.7 | Low | 145 Ų | 145 | 112.9 Ų | 112.9 | 78% | 0.775 | 62% | 0.617 | S | S | * | * | trans | -34.7 | 95.4 | -168.8 | -53.6 | -43.6 | 0 | 0 | 0 | 114.8 | C63 E67 | C63-D65 PolarHBondContact O-N 2.86Å; D65-E67 PolarHBondContact O-N 2.81Å | ||
| 66 | Q | 55.2 | Low | 60.7 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | trans | -82.4 | 102.6 | 159.7 | -95.5 | -176.8 | 94.4 | 0 | 0 | 108.2 | E64 T68 | E64-Q66 PolarHBondContact O-N 2.97Å; Q66-T68 PolarHBondContact O-N 3.48Å | ||
| 67 | E | 50.5 | Low | 59.5 | Low | 187 Ų | 187 | 115.9 Ų | 115.9 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -65 | 32.5 | 176.3 | -106.5 | 157.6 | 140.1 | 0 | 0 | 115.5 | D65 | D65-E67 PolarHBondContact O-N 2.81Š|
| 68 | T | 52.2 | Low | 58.7 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -126.3 | 113.7 | 164 | 26.3 | 0 | 0 | 0 | 0 | 107.9 | Q66 V70 | Q66-T68 PolarHBondContact O-N 3.48Å; T68-V70 PolarHBondContact O-N 2.83Å |
| 69 | P | 48.6 | Very low | 57.8 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | trans | -67.4 | 89.6 | 169.8 | 28.4 | -30.1 | 0 | 0 | 0 | 106.6 | P71 | P69-P71 VanDerWaalsContact O-CD 3.3Å; P69-P71 WeakPolarHBondContact O-CD 3.29Å; P69-P71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | V | 57.6 | Low | 57 | Low | 95 Ų | 95 | 121.4 Ų | 121.4 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | trans | -60.2 | 115.7 | 163.8 | 177.2 | 0 | 0 | 0 | 0 | 104 | T68 L73 | T68-V70 PolarHBondContact O-N 2.83Å; V70-L73 HydrophobicContact CG1-CD1 4.03Å | ||
| 71 | P | 51.3 | Low | 57.3 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | trans | -53.8 | 132.5 | 179.4 | 21.4 | -30.9 | 0 | 0 | 0 | 106.6 | P69 L73 | P69-P71 VanDerWaalsContact O-CD 3.3Å; P69-P71 WeakPolarHBondContact O-CD 3.29Å; P69-P71 VanDerWaalsContact O-N 3.12Å; P71-L73 PolarHBondContact O-N 3.28Å | ||
| 72 | P | 55 | Low | 57.6 | Low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 65% | 0.648 | S | S | * | * | trans | -54.5 | 109.8 | -176.6 | 22 | -31.4 | 0 | 0 | 0 | 105.8 | G74 | P72-G74 PolarHBondContact O-N 3.21Š| ||
| 73 | L | 54.8 | Low | 58.1 | Low | 98 Ų | 98 | 122.1 Ų | 122.1 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | trans | -56.4 | 117.5 | 175.7 | -77.2 | 100.4 | 0 | 0 | 0 | 103.7 | V70 P71 W75 | V70-L73 HydrophobicContact CG1-CD1 4.03Å; P71-L73 PolarHBondContact O-N 3.28Å; L73-W75 PolarHBondContact O-N 3.49Å | ||
| 74 | G | 51 | Low | 58.3 | Low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | trans | -68.9 | 51.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P72 S76 | P72-G74 PolarHBondContact O-N 3.21Å; G74-S76 PolarHBondContact O-N 2.68Å | ||
| 75 | W | 52.3 | Low | 58.9 | Low | 188 Ų | 188 | 119 Ų | 119 | 71% | 0.712 | 64% | 0.635 | S | S | * | * | trans | -71.5 | 124.6 | 166.9 | -63.8 | 79.7 | 0 | 0 | 0 | 106.5 | L73 L77 | L73-W75 PolarHBondContact O-N 3.49Å; W75-L77 HydrophobicContact CB-CD1 4.15Å; W75-L77 HydrophobicContact CB-CG 4.22Å; W75-L77 PolarHBondContact O-N 2.96Å | ||
| 76 | S | 58.2 | Low | 59.7 | Low | 81 Ų | 81 | 117 Ų | 117 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | trans | -70.3 | 42.5 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113 | G74 L79 W80 | G74-S76 PolarHBondContact O-N 2.68Å; S76-L79 PolarHBondContact O-N 3.38Å; S76-W80 PolarHBondContact O-N 3.07Å | ||
| 77 | L | 53.5 | Low | 60.9 | Low | 70 Ų | 70 | 115.1 Ų | 115.1 | 37% | 0.366 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -50.4 | -34.2 | 171 | -78.4 | 157.6 | 0 | 0 | 0 | 113.4 | L58 W75 L79 W80 G81 | L58-L77 HydrophobicContact CD2-CD1 3.52Å; L58-L77 HydrophobicContact CD2-CD2 3.84Å; L58-L77 HydrophobicContact CD2-CG 4.3Å; W75-L77 HydrophobicContact CB-CD1 4.15Å; W75-L77 HydrophobicContact CB-CG 4.22Å; W75-L77 PolarHBondContact O-N 2.96Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.41Å; L77-W80 PolarHBondContact O-N 2.74Å; L77-G81 VanDerWaalsContact O-CA 3.3Å; L77-G81 WeakPolarHBondContact O-CA 3.09Å; L77-G81 PolarHBondContact O-N 3.43Å |
| 78 | P | 60.1 | Low | 62.3 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.7 | -37.4 | 179.2 | -24.2 | 34.2 | 0 | 0 | 0 | 113.1 | R82 | P78-R82 WeakPolarHBondContact O-CB 3.34Å; P78-R82 PolarHBondContact O-N 3.08Å; P78-R82 VanDerWaalsContact O-N 3.07Å |
| 79 | L | 57.5 | Low | 63.3 | Low | 134 Ų | 134 | 110.5 Ų | 110.5 | 70% | 0.702 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.6 | -40.1 | -178.3 | -71.4 | 169.9 | 0 | 0 | 0 | 112.1 | S76 L77 R83 | S76-L79 PolarHBondContact O-N 3.38Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.41Å; L79-R83 WeakPolarHBondContact O-CB 3.23Å; L79-R83 PolarHBondContact O-N 3.31Å; L79-R83 VanDerWaalsContact O-N 3.08Å |
| 80 | W | 55.8 | Low | 64.8 | Low | 189 Ų | 189 | 107.5 Ų | 107.5 | 72% | 0.716 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.9 | -35.8 | 178.2 | -163.1 | 28.5 | 0 | 0 | 0 | 111.9 | S76 L77 S84 | S76-W80 PolarHBondContact O-N 3.07Å; L77-W80 PolarHBondContact O-N 2.74Å; W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.3Å; W80-S84 PolarHBondContact O-N 3.08Å; W80-S84 PolarHBondContact O-OG 2.92Å |
| 81 | G | 69 | Low | 65.8 | Low | 29 Ų | 29 | 110.4 Ų | 110.4 | 30% | 0.299 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.9 | -53.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L77 R83 S84 L85 | L77-G81 VanDerWaalsContact O-CA 3.3Å; L77-G81 WeakPolarHBondContact O-CA 3.09Å; L77-G81 PolarHBondContact O-N 3.43Å; G81-R83 PolarHBondContact O-N 2.78Å; G81-S84 PolarHBondContact O-N 3.17Å; G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.23Å; G81-L85 WeakPolarHBondContact O-CG 3.46Å; G81-L85 PolarHBondContact O-N 3.3Å |
| 82 | R | 66.4 | Low | 66.7 | Low | 188 Ų | 188 | 109.4 Ų | 109.4 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -55.5 | -51.7 | 175.7 | -98.3 | -169.7 | 176.9 | 177.6 | -0.2 | 112.5 | P78 S84 L85 D86 | P78-R82 WeakPolarHBondContact O-CB 3.34Å; P78-R82 PolarHBondContact O-N 3.08Å; P78-R82 VanDerWaalsContact O-N 3.07Å; R82-S84 VanDerWaalsContact C-N 3.28Å; R82-S84 PolarHBondContact O-N 2.85Å; R82-L85 CarbonylContact O-C 3.58Å; R82-L85 PolarHBondContact O-N 3.25Å; R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 PolarHBondContact O-N 3.43Å |
| 83 | R | 75.3 | Confident | 67.4 | Low | 185 Ų | 185 | 105.4 Ų | 105.4 | 70% | 0.698 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -37.6 | -178.4 | -173.9 | 173.3 | -175.9 | 156.9 | 2.2 | 112.5 | L79 G81 V87 | L79-R83 WeakPolarHBondContact O-CB 3.23Å; L79-R83 PolarHBondContact O-N 3.31Å; L79-R83 VanDerWaalsContact O-N 3.08Å; G81-R83 PolarHBondContact O-N 2.78Å; R83-V87 VanDerWaalsContact O-CG2 3.27Å; R83-V87 WeakPolarHBondContact O-CG2 3.21Å; R83-V87 PolarHBondContact O-N 3.38Å; R83-V87 VanDerWaalsContact O-N 3.11Å |
| 84 | S | 76.4 | Confident | 68 | Low | 49 Ų | 49 | 111.1 Ų | 111.1 | 34% | 0.343 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -41.7 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | W80 G81 R82 V87 L88 | W80-S84 VanDerWaalsContact O-CB 3.24Å; W80-S84 WeakPolarHBondContact O-CB 3.3Å; W80-S84 PolarHBondContact O-N 3.08Å; W80-S84 PolarHBondContact O-OG 2.92Å; G81-S84 PolarHBondContact O-N 3.17Å; R82-S84 VanDerWaalsContact C-N 3.28Å; R82-S84 PolarHBondContact O-N 2.85Å; S84-V87 PolarHBondContact O-N 3.11Å; S84-L88 WeakPolarHBondContact O-CB 3.27Å; S84-L88 VanDerWaalsContact O-CG 3.26Å; S84-L88 WeakPolarHBondContact O-CG 3.26Å; S84-L88 PolarHBondContact O-N 3.31Å |
| 85 | L | 77.3 | Confident | 68.7 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -39.3 | 174.7 | -70.8 | 172.7 | 0 | 0 | 0 | 111.8 | G81 R82 V87 L88 T89 | G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.23Å; G81-L85 WeakPolarHBondContact O-CG 3.46Å; G81-L85 PolarHBondContact O-N 3.3Å; R82-L85 CarbonylContact O-C 3.58Å; R82-L85 PolarHBondContact O-N 3.25Å; L85-V87 PolarHBondContact O-N 3.5Å; L85-L88 PolarHBondContact O-N 2.64Å; L85-T89 WeakPolarHBondContact O-CB 3.29Å; L85-T89 PolarHBondContact O-N 3.42Å; L85-T89 PolarHBondContact O-OG1 2.83Å |
| 86 | D | 75.4 | Confident | 69.1 | Low | 103 Ų | 103 | 108.6 Ų | 108.6 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 176.1 | -68.8 | -29.6 | 0 | 0 | 0 | 111.2 | R82 T89 A90 | R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 PolarHBondContact O-N 3.43Å; D86-T89 PolarHBondContact O-N 2.77Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.43Å; D86-A90 PolarHBondContact O-N 3.35Å |
| 87 | V | 80.9 | Confident | 69 | Low | 94 Ų | 94 | 112.7 Ų | 112.7 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | 176.3 | 171 | 0 | 0 | 0 | 0 | 111.3 | R83 S84 L85 T89 A90 W91 | R83-V87 VanDerWaalsContact O-CG2 3.27Å; R83-V87 WeakPolarHBondContact O-CG2 3.21Å; R83-V87 PolarHBondContact O-N 3.38Å; R83-V87 VanDerWaalsContact O-N 3.11Å; S84-V87 PolarHBondContact O-N 3.11Å; L85-V87 PolarHBondContact O-N 3.5Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-A90 PolarHBondContact O-N 2.93Å; V87-W91 WeakPolarHBondContact O-CB 3.32Å; V87-W91 PolarHBondContact O-N 3.49Å |
| 88 | L | 79 | Confident | 69.4 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | 176.1 | -74.2 | 169.3 | 0 | 0 | 0 | 111.5 | S84 L85 W91 L92 | S84-L88 WeakPolarHBondContact O-CB 3.27Å; S84-L88 VanDerWaalsContact O-CG 3.26Å; S84-L88 WeakPolarHBondContact O-CG 3.26Å; S84-L88 PolarHBondContact O-N 3.31Å; L85-L88 PolarHBondContact O-N 2.64Å; L88-W91 PolarHBondContact O-N 3.38Å; L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.29Å; L88-L92 PolarHBondContact O-N 3.05Å |
| 89 | T | 73.5 | Confident | 69.5 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 178 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | L85 D86 V87 W91 L92 C93 | L85-T89 WeakPolarHBondContact O-CB 3.29Å; L85-T89 PolarHBondContact O-N 3.42Å; L85-T89 PolarHBondContact O-OG1 2.83Å; D86-T89 PolarHBondContact O-N 2.77Å; V87-T89 VanDerWaalsContact C-N 3.34Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 3.1Å; T89-L92 PolarHBondContact O-N 3.14Å; T89-C93 VanDerWaalsContact O-CB 3.29Å; T89-C93 WeakPolarHBondContact O-CB 3.28Å; T89-C93 PolarHBondContact O-N 2.85Å; T89-C93 PolarHBondContact O-SG 3.21Å |
| 90 | A | 81.1 | Confident | 69.4 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D86 V87 R94 | D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.43Å; D86-A90 PolarHBondContact O-N 3.35Å; V87-A90 PolarHBondContact O-N 2.93Å; A90-R94 PolarHBondContact O-N 3.37Å; A90-R94 VanDerWaalsContact O-N 3.1Å |
| 91 | W | 79 | Confident | 69.4 | Low | 155 Ų | 155 | 104.4 Ų | 104.4 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.5 | -43.4 | 175.1 | -179.3 | 84 | 0 | 0 | 0 | 111.9 | V87 L88 T89 C93 R94 F95 | V87-W91 WeakPolarHBondContact O-CB 3.32Å; V87-W91 PolarHBondContact O-N 3.49Å; L88-W91 PolarHBondContact O-N 3.38Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 3.1Å; W91-C93 VanDerWaalsContact C-N 3.34Å; W91-C93 PolarHBondContact O-N 2.01Å; W91-R94 WeakPolarHBondContact O-CB 2.94Å; W91-R94 PolarHBondContact O-N 3.08Å; W91-R94 VanDerWaalsContact O-N 3.14Å; W91-F95 PolarHBondContact O-N 2.82Å |
| 92 | L | 68.7 | Low | 68.9 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 177.1 | -166.6 | 69.6 | 0 | 0 | 0 | 111.3 | L88 T89 R94 F95 Q96 | L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.29Å; L88-L92 PolarHBondContact O-N 3.05Å; T89-L92 PolarHBondContact O-N 3.14Å; L92-R94 PolarHBondContact O-N 3.49Å; L92-F95 CarbonylContact O-C 3.58Å; L92-F95 PolarHBondContact O-N 2.73Å; L92-F95 VanDerWaalsContact O-N 3.11Å; L92-Q96 PolarHBondContact O-N 3.11Å |
| 93 | C | 70.2 | Confident | 68.4 | Low | 38 Ų | 38 | 101.6 Ų | 101.6 | 26% | 0.257 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -25.7 | 173.6 | -71.5 | 0 | 0 | 0 | 0 | 113.9 | T89 W91 Q96 C99 | T89-C93 VanDerWaalsContact O-CB 3.29Å; T89-C93 WeakPolarHBondContact O-CB 3.28Å; T89-C93 PolarHBondContact O-N 2.85Å; T89-C93 PolarHBondContact O-SG 3.21Å; W91-C93 VanDerWaalsContact C-N 3.34Å; W91-C93 PolarHBondContact O-N 2.01Å; C93-Q96 CarbonylContact C-O 3.36Å; C93-C99 WeakPolarHBondContact CA-SG 3.38Å; C93-C99 HydrophobicContact CB-CB 3.48Å; C93-C99 VanDerWaalsContact CB-CB 3.48Å; C93-C99 WeakPolarHBondContact CB-SG 3Å; C93-C99 WeakPolarHBondContact SG-CB 3.44Å; C93-C99 CovalentContact SG-SG 2.01Å; C93-C99 PolarHBondContact SG-SG 3.49Å |
| 94 | R | 67.9 | Low | 67.4 | Low | 219 Ų | 219 | 100.5 Ų | 100.5 | 83% | 0.826 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.8 | -28.9 | 173 | -176.3 | 178.2 | 179.8 | -171.3 | 0.5 | 111.7 | A90 W91 L92 | A90-R94 PolarHBondContact O-N 3.37Å; A90-R94 VanDerWaalsContact O-N 3.1Å; W91-R94 WeakPolarHBondContact O-CB 2.94Å; W91-R94 PolarHBondContact O-N 3.08Å; W91-R94 VanDerWaalsContact O-N 3.14Å; L92-R94 PolarHBondContact O-N 3.49Å |
| 95 | F | 66.2 | Low | 66.7 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -88.9 | -28.1 | -178 | -163.6 | -94.7 | 0 | 0 | 0 | 112.6 | W91 L92 | W91-F95 PolarHBondContact O-N 2.82Å; L92-F95 CarbonylContact O-C 3.58Å; L92-F95 PolarHBondContact O-N 2.73Å; L92-F95 VanDerWaalsContact O-N 3.11Å |
| 96 | Q | 59.1 | Low | 65.8 | Low | 62 Ų | 62 | 107 Ų | 107 | 29% | 0.29 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -124.5 | 126.3 | 176.3 | -61.4 | -169.3 | 68.2 | 0 | 0 | 108.2 | L92 C93 C98 | L92-Q96 PolarHBondContact O-N 3.11Å; C93-Q96 CarbonylContact C-O 3.36Å; Q96-C98 HydrophobicContact CB-CB 4.46Å; Q96-C98 PolarHBondContact O-N 3.37Å |
| 97 | D | 56.3 | Low | 64.8 | Low | 167 Ų | 167 | 107.5 Ų | 107.5 | 89% | 0.893 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -65.5 | 26.6 | -178.5 | -67.8 | -53.1 | 0 | 0 | 0 | 114.7 | ||
| 98 | C | 61.7 | Low | 63.5 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 36% | 0.358 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | -0.4 | -167.3 | -87.7 | 0 | 0 | 0 | 0 | 115.5 | Q96 C105 | Q96-C98 HydrophobicContact CB-CB 4.46Å; Q96-C98 PolarHBondContact O-N 3.37Å; C98-C105 HydrophobicContact CB-CB 3.49Å; C98-C105 VanDerWaalsContact CB-CB 3.49Å; C98-C105 WeakPolarHBondContact CB-SG 3.03Å; C98-C105 WeakPolarHBondContact SG-CB 3.36Å; C98-C105 CovalentContact SG-SG 2.02Å; C98-C105 PolarHBondContact SG-SG 3.04Å |
| 99 | C | 62.6 | Low | 62.2 | Low | 73 Ų | 73 | 108.2 Ų | 108.2 | 49% | 0.493 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109 | 3.3 | -168.1 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | C93 G101 | C93-C99 WeakPolarHBondContact CA-SG 3.38Å; C93-C99 HydrophobicContact CB-CB 3.48Å; C93-C99 VanDerWaalsContact CB-CB 3.48Å; C93-C99 WeakPolarHBondContact CB-SG 3Å; C93-C99 WeakPolarHBondContact SG-CB 3.44Å; C93-C99 CovalentContact SG-SG 2.01Å; C93-C99 PolarHBondContact SG-SG 3.49Å; C99-G101 PolarHBondContact O-N 2.77Å |
| 100 | S | 55.3 | Low | 61.3 | Low | 126 Ų | 126 | 111 Ų | 111 | 88% | 0.881 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -100.2 | 78.3 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 101 | G | 56.5 | Low | 60 | Low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 104.3 | 85.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C99 G103 | C99-G101 PolarHBondContact O-N 2.77Å; G101-G103 VanDerWaalsContact C-N 3.3Å; G101-G103 PolarHBondContact O-N 2.02Å |
| 102 | G | 58.1 | Low | 58.3 | Low | 99 Ų | 99 | 112.7 Ų | 112.7 | 100% | 1.021 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 62.7 | 1.9 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 103 | G | 55.2 | Low | 57.2 | Low | 58 Ų | 58 | 112.6 Ų | 112.6 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -173.4 | 126.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G101 | G101-G103 VanDerWaalsContact C-N 3.3Å; G101-G103 PolarHBondContact O-N 2.02Å |
| 104 | D | 56.2 | Low | 55.7 | Low | 163 Ų | 163 | 121.3 Ų | 121.3 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | trans | 63.5 | 63.1 | 165.5 | -58 | -19.4 | 0 | 0 | 0 | 117.7 | R106 | D104-R106 VanDerWaalsContact C-N 3.28Å; D104-R106 PolarHBondContact O-N 3.14Å | ||
| 105 | C | 60.9 | Low | 54.7 | Low | 61 Ų | 61 | 118 Ų | 118 | 41% | 0.412 | 70% | 0.697 | S | S | . | * | trans | -71.2 | 86.1 | 153.3 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | C98 I107 | C98-C105 HydrophobicContact CB-CB 3.49Å; C98-C105 VanDerWaalsContact CB-CB 3.49Å; C98-C105 WeakPolarHBondContact CB-SG 3.03Å; C98-C105 WeakPolarHBondContact SG-CB 3.36Å; C98-C105 CovalentContact SG-SG 2.02Å; C98-C105 PolarHBondContact SG-SG 3.04Å; C105-I107 PolarHBondContact O-N 2.89Å; C105-I107 VanDerWaalsContact O-N 3.14Å | ||
| 106 | R | 57.3 | Low | 53.5 | Low | 230 Ų | 230 | 114.7 Ų | 114.7 | 87% | 0.868 | 70% | 0.699 | S | S | * | * | trans | -80.4 | 95.2 | 172.6 | -160.6 | 176.5 | -176.5 | 158.4 | 0.7 | 108.9 | D104 S108 | D104-R106 VanDerWaalsContact C-N 3.28Å; D104-R106 PolarHBondContact O-N 3.14Å; R106-S108 VanDerWaalsContact C-N 3.34Å; R106-S108 PolarHBondContact O-N 3.02Å | ||
| 107 | I | 54.9 | Low | 52.7 | Low | 113 Ų | 113 | 121.1 Ų | 121.1 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | trans | -63.5 | 94.8 | 169.9 | -57.4 | 174.6 | 0 | 0 | 0 | 107.6 | C105 N109 | C105-I107 PolarHBondContact O-N 2.89Å; C105-I107 VanDerWaalsContact O-N 3.14Å; I107-N109 PolarHBondContact O-N 3.14Å | ||
| 108 | S | 54.1 | Low | 51.7 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -77.9 | 91.4 | 173.7 | 69.2 | 0 | 0 | 0 | 0 | 108.6 | R106 N110 | R106-S108 VanDerWaalsContact C-N 3.34Å; R106-S108 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-N 3.05Å; S108-N110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | N | 50.9 | Low | 50.4 | Low | 106 Ų | 106 | 123 Ų | 123 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | trans | -78.1 | 95.9 | 168.8 | -170.2 | -59.4 | 0 | 0 | 0 | 108.3 | I107 L111 | I107-N109 PolarHBondContact O-N 3.14Å; N109-L111 WeakPolarHBondContact ND2-CD1 2.85Å; N109-L111 PolarHBondContact O-N 3.42Å; N109-L111 WeakPolarHBondContact OD1-CB 2.97Å; N109-L111 WeakPolarHBondContact OD1-CD1 3.03Å; N109-L111 WeakPolarHBondContact OD1-CG 2.87Å; N109-L111 PolarHBondContact OD1-N 2.81Å | ||
| 110 | N | 56.2 | Low | 49.3 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -81 | 58.6 | 170.6 | -170.3 | 4.5 | 0 | 0 | 0 | 110.3 | S108 | S108-N110 PolarHBondContact O-N 3.05Å; S108-N110 VanDerWaalsContact O-N 3.14Å | ||
| 111 | L | 53.9 | Low | 48.8 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -90.7 | -3.7 | 169 | -75.8 | 168.2 | 0 | 0 | 0 | 112.6 | N109 G113 | N109-L111 WeakPolarHBondContact ND2-CD1 2.85Å; N109-L111 PolarHBondContact O-N 3.42Å; N109-L111 WeakPolarHBondContact OD1-CB 2.97Å; N109-L111 WeakPolarHBondContact OD1-CD1 3.03Å; N109-L111 WeakPolarHBondContact OD1-CG 2.87Å; N109-L111 PolarHBondContact OD1-N 2.81Å; L111-G113 PolarHBondContact O-N 3Å | ||
| 112 | T | 42.9 | Very low | 47.7 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | -96.6 | 81.8 | 169.5 | 35.3 | 0 | 0 | 0 | 0 | 110.4 | R114 | T112-R114 PolarHBondContact O-N 3.26Š| ||
| 113 | G | 45.3 | Very low | 46.8 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -66.1 | 73 | 154 | 0 | 0 | 0 | 0 | 0 | 110.1 | L111 | L111-G113 PolarHBondContact O-N 3Š| ||
| 114 | R | 37.8 | Very low | 46.1 | Very low | 221 Ų | 221 | 128.7 Ų | 128.7 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -148.9 | 118.1 | 166.3 | -69.2 | -163.4 | -173.2 | -140.1 | 1.7 | 109.9 | T112 A116 | T112-R114 PolarHBondContact O-N 3.26Å; R114-A116 PolarHBondContact O-N 2.84Å | ||
| 115 | V | 46.8 | Very low | 45.3 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 90% | 0.903 | 76% | 0.758 | S | S | * | * | trans | -71.4 | 107.9 | 160.5 | -155.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 116 | A | 42.7 | Very low | 44.1 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -130.8 | 97.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | R114 A118 | R114-A116 PolarHBondContact O-N 2.84Å; A116-A118 PolarHBondContact O-N 3.47Å | ||
| 117 | E | 41.4 | Very low | 43.2 | Very low | 197 Ų | 197 | 123.8 Ų | 123.8 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -55.7 | 121.2 | 167.7 | -160.8 | 154.7 | 145.2 | 0 | 0 | 108.3 | ||||
| 118 | A | 35.9 | Very low | 42.5 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -140 | 129.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | A116 | A116-A118 PolarHBondContact O-N 3.47Š| ||
| 119 | D | 33 | Very low | 41.8 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -51.3 | 157.3 | -163.5 | -131.5 | -47 | 0 | 0 | 0 | 117.1 | ||||
| 120 | A | 40.9 | Very low | 41.3 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 121.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 121 | G | 42.9 | Very low | 40.3 | Very low | 66 Ų | 66 | 129.4 Ų | 129.4 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 173.1 | 125.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 122 | D | 34.8 | Very low | 39.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 79.7 | 78.9 | 169.9 | -59.3 | -36.5 | 0 | 0 | 0 | 117.7 | V124 | D122-V124 PolarHBondContact O-N 3.37Å; D122-V124 VanDerWaalsContact O-N 3.17Å | ||
| 123 | A | 39.1 | Very low | 39 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -62.6 | 103.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 124 | V | 40.5 | Very low | 38.7 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -95.2 | 98.2 | 163 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | D122 L126 | D122-V124 PolarHBondContact O-N 3.37Å; D122-V124 VanDerWaalsContact O-N 3.17Å; V124-L126 HydrophobicContact CG1-CD1 4.33Å; V124-L126 HydrophobicContact CG1-CG 4.12Å; V124-L126 PolarHBondContact O-N 3.18Å | ||
| 125 | A | 38.9 | Very low | 38.7 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -68.3 | 117.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 126 | L | 36.8 | Very low | 38.3 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -111.6 | 137.2 | 167 | -81.5 | 162.5 | 0 | 0 | 0 | 109.6 | V124 | V124-L126 HydrophobicContact CG1-CD1 4.33Å; V124-L126 HydrophobicContact CG1-CG 4.12Å; V124-L126 PolarHBondContact O-N 3.18Å | ||
| 127 | P | 36.8 | Very low | 38 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 64% | 0.643 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 163.3 | -166.6 | 30.6 | -36 | 0 | 0 | 0 | 114.2 | E129 | P127-E129 PolarHBondContact O-N 3.14Å; P127-E129 VanDerWaalsContact O-N 3.14Å | ||
| 128 | P | 40.4 | Very low | 37.8 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 91.4 | -173.8 | 33.5 | -34.3 | 0 | 0 | 0 | 112 | H130 | P128-H130 PolarHBondContact O-ND1 3.39Š| ||
| 129 | E | 39.1 | Very low | 37.9 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -80.6 | 124.9 | 167.8 | -70.6 | -83.8 | 132.6 | 0 | 0 | 109.6 | P127 V131 | P127-E129 PolarHBondContact O-N 3.14Å; P127-E129 VanDerWaalsContact O-N 3.14Å; E129-V131 PolarHBondContact O-N 3.17Å | ||
| 130 | H | 40.9 | Very low | 38.3 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -70 | 122 | -167.3 | -66.8 | 22.8 | 0 | 0 | 0 | 112.4 | P128 | P128-H130 PolarHBondContact O-ND1 3.39Š| ||
| 131 | V | 35.2 | Very low | 38.1 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | trans | -109.6 | 96.3 | 156.6 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | E129 | E129-V131 PolarHBondContact O-N 3.17Š| ||
| 132 | R | 35.9 | Very low | 37.7 | Very low | 227 Ų | 227 | 147.8 Ų | 147.8 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -73.1 | 124.2 | 163 | -76.2 | -173.2 | 179.4 | 129.1 | 0.2 | 107.8 | ||||
| 133 | L | 33.3 | Very low | 37.9 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 100% | 1.251 | 82% | 0.822 | S | S | * | * | trans | -108.6 | 0 | 153.3 | -81.3 | 163 | 0 | 0 | 0 | 107.7 |
Retrieved 133 of 133 residues in 293.8 ms
(Link to these results)