| 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 | 44 | Very low | 52.4 | Low | 244 Ų | 244 | 126.3 Ų | 126.3 | 100% | 1.202 | 72% | 0.721 | S | S | * | * | 0 | 106 | 0 | -71.7 | -176.6 | 179.6 | 0 | 0 | 107.2 | |||||
| 2 | T | 49.8 | Very low | 52.4 | Low | 142 Ų | 142 | 121.3 Ų | 121.3 | 87% | 0.871 | 71% | 0.707 | S | S | * | * | trans | -90.2 | 114 | -162.1 | 11.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | Q | 51 | Low | 52.5 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -88.4 | 108.3 | -179.5 | -142.4 | 172.9 | 9 | 0 | 0 | 108.5 | T5 | Q3-T5 PolarHBondContact O-N 3.47Å; Q3-T5 VanDerWaalsContact O-N 3.11Å; Q3-T5 PolarHBondContact O-OG1 3.48Å | ||
| 4 | N | 56 | Low | 52.3 | Low | 130 Ų | 130 | 119.5 Ų | 119.5 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | -69.4 | 109.4 | 175.8 | -80.5 | -2 | 0 | 0 | 0 | 109.1 | ||||
| 5 | T | 52.1 | Low | 52.2 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.9 | 175.3 | -33 | 0 | 0 | 0 | 0 | 107.3 | Q3 A12 | Q3-T5 PolarHBondContact O-N 3.47Å; Q3-T5 VanDerWaalsContact O-N 3.11Å; Q3-T5 PolarHBondContact O-OG1 3.48Å; T5-A12 HydrophobicContact CG2-CB 4.03Å |
| 6 | V | 53.6 | Low | 52.2 | Low | 93 Ų | 93 | 125.1 Ų | 125.1 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.2 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | V8 M13 | V6-V8 HydrophobicContact CG1-CG2 4.09Å; V6-M13 PolarHBondContact O-N 3.37Å |
| 7 | I | 54.6 | Low | 51.9 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 60% | 0.595 | 71% | 0.709 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.9 | 177.8 | -56.7 | 176.5 | 0 | 0 | 0 | 107.4 | ||
| 8 | V | 55.3 | Low | 51.6 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.7 | 168.2 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | V6 G10 V11 | V6-V8 HydrophobicContact CG1-CG2 4.09Å; V8-G10 PolarHBondContact O-N 3.37Å; V8-V11 PolarHBondContact O-N 3Å |
| 9 | N | 57.4 | Low | 51.6 | Low | 160 Ų | 160 | 126.7 Ų | 126.7 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.4 | 41.1 | -176.8 | -70.4 | -7.5 | 0 | 0 | 0 | 115.6 | V11 | N9-V11 PolarHBondContact O-N 3.04Š|
| 10 | G | 54.4 | Low | 51.7 | Low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73 | 7.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V8 | V8-G10 PolarHBondContact O-N 3.37Š|
| 11 | V | 48.5 | Very low | 51.6 | Low | 85 Ų | 85 | 126.6 Ų | 126.6 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 119 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109 | V8 N9 M13 | V8-V11 PolarHBondContact O-N 3Å; N9-V11 PolarHBondContact O-N 3.04Å; V11-M13 PolarHBondContact O-N 3.4Å |
| 12 | A | 51.9 | Low | 52.2 | Low | 67 Ų | 67 | 123.6 Ų | 123.6 | 55% | 0.554 | 71% | 0.712 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 107.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T5 | T5-A12 HydrophobicContact CG2-CB 4.03Å |
| 13 | M | 54.2 | Low | 52.8 | Low | 137 Ų | 137 | 122 Ų | 122 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.3 | 175.9 | -76.8 | -79.7 | -159.9 | 0 | 0 | 109.8 | V6 V11 S15 | V6-M13 PolarHBondContact O-N 3.37Å; V11-M13 PolarHBondContact O-N 3.4Å; M13-S15 PolarHBondContact O-N 3.14Å |
| 14 | A | 49.7 | Very low | 53 | Low | 80 Ų | 80 | 121.2 Ų | 121.2 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 111.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R16 | A14-R16 PolarHBondContact O-N 3.34Å |
| 15 | S | 50.6 | Low | 53.5 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | -75.7 | 112.8 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 111 | M13 | M13-S15 PolarHBondContact O-N 3.14Š| ||
| 16 | R | 52.3 | Low | 53.9 | Low | 239 Ų | 239 | 123.2 Ų | 123.2 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -93.7 | 135.5 | 168.7 | -155.5 | 173.3 | -172.8 | 179.2 | 2.1 | 109 | A14 | A14-R16 PolarHBondContact O-N 3.34Š| ||
| 17 | P | 46.6 | Very low | 54.1 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -80.3 | 157.4 | -171.2 | 32.4 | -33.7 | 0 | 0 | 0 | 112.1 | ||||
| 18 | S | 46.3 | Very low | 54.4 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | 83.8 | 90.5 | 159.9 | 68.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 19 | Q | 52.7 | Low | 54.6 | Low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -144.9 | 137.4 | 136.2 | -125.2 | 176.4 | 17 | 0 | 0 | 108.8 | T21 | Q19-T21 PolarHBondContact O-N 2.92Š| ||
| 20 | P | 52.7 | Low | 54.7 | Low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -68.8 | 118.2 | -177.3 | 2.9 | 11.4 | 0 | 0 | 0 | 108.8 | H22 | P20-H22 PolarHBondContact O-N 2.85Š| ||
| 21 | T | 50.6 | Low | 55.2 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -76.4 | 105.3 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 109 | Q19 V23 | Q19-T21 PolarHBondContact O-N 2.92Å; T21-V23 HydrophobicContact CG2-CG2 4.16Å; T21-V23 PolarHBondContact O-N 3.27Å | ||
| 22 | H | 56.8 | Low | 56.1 | Low | 180 Ų | 180 | 127.2 Ų | 127.2 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | trans | -76.3 | 99.3 | 174.1 | -151.7 | -96.2 | 0 | 0 | 0 | 108.6 | P20 N24 | P20-H22 PolarHBondContact O-N 2.85Å; H22-N24 PolarHBondContact O-N 3.35Å | ||
| 23 | V | 61.1 | Low | 56.5 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | trans | -84.6 | 100.8 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | T21 V25 | T21-V23 HydrophobicContact CG2-CG2 4.16Å; T21-V23 PolarHBondContact O-N 3.27Å; V23-V25 HydrophobicContact CG1-CG2 3.87Å; V23-V25 PolarHBondContact O-N 3.46Å | ||
| 24 | N | 55.3 | Low | 57.3 | Low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | -82 | 101.3 | 173.2 | -162.3 | 5.7 | 0 | 0 | 0 | 109.1 | H22 H26 | H22-N24 PolarHBondContact O-N 3.35Å; N24-H26 PolarHBondContact O-N 3.14Å | ||
| 25 | V | 66.1 | Low | 58.2 | Low | 107 Ų | 107 | 128 Ų | 128 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | -86.7 | 100.3 | 177.9 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | V23 I27 | V23-V25 HydrophobicContact CG1-CG2 3.87Å; V23-V25 PolarHBondContact O-N 3.46Å; V25-I27 HydrophobicContact CG1-CG1 4.08Å; V25-I27 PolarHBondContact O-N 2.93Å | ||
| 26 | H | 60.6 | Low | 59.2 | Low | 154 Ų | 154 | 129.7 Ų | 129.7 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -84.4 | 98.8 | 173.4 | -162.5 | -80.2 | 0 | 0 | 0 | 109.6 | N24 H28 | N24-H26 PolarHBondContact O-N 3.14Å; H26-H28 PolarHBondContact O-N 2.96Å; H26-H28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | I | 58.8 | Low | 60.2 | Low | 140 Ų | 140 | 124 Ų | 124 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | trans | -75.6 | 100.2 | 175.8 | -57.9 | 177.4 | 0 | 0 | 0 | 108.2 | V25 Q29 | V25-I27 HydrophobicContact CG1-CG1 4.08Å; V25-I27 PolarHBondContact O-N 2.93Å; I27-Q29 PolarHBondContact O-N 3.49Å; I27-Q29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | H | 59.8 | Low | 61.5 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | trans | -77.3 | 94 | 173.9 | -147.5 | -68.2 | 0 | 0 | 0 | 108.9 | H26 E30 | H26-H28 PolarHBondContact O-N 2.96Å; H26-H28 VanDerWaalsContact O-N 3.11Å; H28-E30 PolarHBondContact O-N 2.9Å | ||
| 29 | Q | 59.8 | Low | 62.6 | Low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | trans | -80.2 | 98.6 | 175.8 | -165.1 | 177 | 7.1 | 0 | 0 | 108.8 | I27 S31 | I27-Q29 PolarHBondContact O-N 3.49Å; I27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-S31 PolarHBondContact O-N 3.47Å | ||
| 30 | E | 59.9 | Low | 63.4 | Low | 95 Ų | 95 | 116 Ų | 116 | 44% | 0.444 | 64% | 0.636 | S | S | . | * | trans | -62.4 | 121.4 | 168.9 | -71.1 | -166.7 | 160.9 | 0 | 0 | 108.8 | H28 | H28-E30 PolarHBondContact O-N 2.9Š| ||
| 31 | S | 64.6 | Low | 63.9 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | trans | -64.3 | 145.5 | 178.1 | -155.6 | 0 | 0 | 0 | 0 | 110.1 | Q29 L33 T34 Q35 | Q29-S31 PolarHBondContact O-N 3.47Å; S31-L33 PolarHBondContact O-N 3.24Å; S31-T34 WeakPolarHBondContact O-CA 3.39Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.29Å; S31-T34 PolarHBondContact O-OG1 2.92Å; S31-Q35 PolarHBondContact O-N 3.31Å | ||
| 32 | A | 68 | Low | 64.3 | Low | 70 Ų | 70 | 109.4 Ų | 109.4 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54.7 | -26.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q35 L36 | A32-Q35 PolarHBondContact O-N 3.41Å; A32-L36 WeakPolarHBondContact O-CB 3.36Å; A32-L36 PolarHBondContact O-N 3.4Å |
| 33 | L | 61.1 | Low | 64.3 | Low | 115 Ų | 115 | 106 Ų | 106 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -36 | 175.1 | -160.2 | 143.5 | 0 | 0 | 0 | 112.3 | S31 L36 L37 | S31-L33 PolarHBondContact O-N 3.24Å; L33-L36 PolarHBondContact O-N 3.27Å; L33-L37 HydrophobicContact CD2-CD1 3.65Å; L33-L37 HydrophobicContact CD2-CG 4.24Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.03Å |
| 34 | T | 69.1 | Low | 64.2 | Low | 65 Ų | 65 | 106.8 Ų | 106.8 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -40.2 | 174.8 | -36.8 | 0 | 0 | 0 | 0 | 110.8 | S31 L37 K38 | S31-T34 WeakPolarHBondContact O-CA 3.39Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.29Å; S31-T34 PolarHBondContact O-OG1 2.92Å; T34-L37 PolarHBondContact O-N 3.46Å; T34-K38 VanDerWaalsContact O-CB 3.31Å; T34-K38 WeakPolarHBondContact O-CB 3.01Å; T34-K38 PolarHBondContact O-N 2.91Å |
| 35 | Q | 70.2 | Confident | 64.2 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.6 | -40 | 172.9 | -77.4 | -174.9 | -11.1 | 0 | 0 | 112.2 | S31 A32 K38 A39 | S31-Q35 PolarHBondContact O-N 3.31Å; A32-Q35 PolarHBondContact O-N 3.41Å; Q35-K38 PolarHBondContact O-N 3.36Å; Q35-A39 WeakPolarHBondContact O-CB 3.3Å; Q35-A39 PolarHBondContact O-N 2.96Å |
| 36 | L | 70 | Confident | 63.6 | Low | 127 Ų | 127 | 111.6 Ų | 111.6 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -42 | 173.2 | -98.4 | 160.2 | 0 | 0 | 0 | 112.3 | A32 L33 K38 A39 G40 | A32-L36 WeakPolarHBondContact O-CB 3.36Å; A32-L36 PolarHBondContact O-N 3.4Å; L33-L36 PolarHBondContact O-N 3.27Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.4Å; L36-A39 PolarHBondContact O-N 3.23Å; L36-G40 PolarHBondContact O-N 2.88Å |
| 37 | L | 74.7 | Confident | 63.1 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -36.5 | 173.5 | -79.5 | 168.9 | 0 | 0 | 0 | 111.9 | L33 T34 G41 | L33-L37 HydrophobicContact CD2-CD1 3.65Å; L33-L37 HydrophobicContact CD2-CG 4.24Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.03Å; T34-L37 PolarHBondContact O-N 3.46Å; L37-G41 PolarHBondContact O-N 3.5Å |
| 38 | K | 73.2 | Confident | 62.7 | Low | 139 Ų | 139 | 106.6 Ų | 106.6 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.3 | -41.8 | 176.9 | -155.1 | 172.3 | -168.7 | 171 | 0 | 111.3 | T34 Q35 L36 G41 S42 | T34-K38 VanDerWaalsContact O-CB 3.31Å; T34-K38 WeakPolarHBondContact O-CB 3.01Å; T34-K38 PolarHBondContact O-N 2.91Å; Q35-K38 PolarHBondContact O-N 3.36Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.4Å; K38-G41 PolarHBondContact O-N 2.96Å; K38-S42 PolarHBondContact O-N 3.27Å |
| 39 | A | 70.5 | Confident | 61.8 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.2 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q35 L36 S42 L43 | Q35-A39 WeakPolarHBondContact O-CB 3.3Å; Q35-A39 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 3.23Å; A39-S42 WeakPolarHBondContact O-CB 3.26Å; A39-S42 PolarHBondContact O-N 3.06Å; A39-L43 PolarHBondContact O-N 3.5Å |
| 40 | G | 67.7 | Low | 61 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -37.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L36 S42 L43 K44 | L36-G40 PolarHBondContact O-N 2.88Å; G40-S42 VanDerWaalsContact C-N 3.31Å; G40-S42 PolarHBondContact O-N 3.21Å; G40-L43 PolarHBondContact O-N 3Å; G40-K44 PolarHBondContact O-N 3.18Å |
| 41 | G | 64.1 | Low | 60.3 | Low | 36 Ų | 36 | 100.1 Ų | 100.1 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.1 | -31.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L37 K38 K44 K45 | L37-G41 PolarHBondContact O-N 3.5Å; K38-G41 PolarHBondContact O-N 2.96Å; G41-K44 WeakPolarHBondContact O-CB 3.42Å; G41-K45 PolarHBondContact O-N 2.94Å |
| 42 | S | 59.2 | Low | 59.2 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.4 | -40.3 | 172.7 | -146.4 | 0 | 0 | 0 | 0 | 111.6 | K38 A39 G40 K44 K45 F46 | K38-S42 PolarHBondContact O-N 3.27Å; A39-S42 WeakPolarHBondContact O-CB 3.26Å; A39-S42 PolarHBondContact O-N 3.06Å; G40-S42 VanDerWaalsContact C-N 3.31Å; G40-S42 PolarHBondContact O-N 3.21Å; S42-K44 PolarHBondContact O-N 3.33Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.47Å; S42-F46 PolarHBondContact O-N 3.14Å |
| 43 | L | 57.6 | Low | 58.2 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.5 | -35.4 | 172.8 | -147.2 | 87 | 0 | 0 | 0 | 111.7 | A39 G40 K45 F46 L47 | A39-L43 PolarHBondContact O-N 3.5Å; G40-L43 PolarHBondContact O-N 3Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.27Å; L43-F46 PolarHBondContact O-N 3.15Å; L43-F46 VanDerWaalsContact O-N 3.09Å; L43-L47 HydrophobicContact CD2-CD1 3.72Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 PolarHBondContact O-N 3.46Å |
| 44 | K | 57.8 | Low | 57.6 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61 | -36.6 | 172.4 | -172.7 | -176.4 | 178.2 | -179.4 | 0 | 112.1 | G40 G41 S42 F46 F48 | G40-K44 PolarHBondContact O-N 3.18Å; G41-K44 WeakPolarHBondContact O-CB 3.42Å; S42-K44 PolarHBondContact O-N 3.33Å; K44-F46 VanDerWaalsContact C-N 3.3Å; K44-F48 HydrophobicContact CB-CD2 4.44Å; K44-F48 HydrophobicContact CG-CD2 3.79Å; K44-F48 HydrophobicContact CG-CE2 4.25Å; K44-F48 VanDerWaalsContact O-CB 3.3Å; K44-F48 WeakPolarHBondContact O-CB 3.3Å; K44-F48 VanDerWaalsContact O-CD2 3.27Å; K44-F48 WeakPolarHBondContact O-CD2 3.26Å; K44-F48 PolarHBondContact O-N 3.41Å; K44-F48 VanDerWaalsContact O-N 3.16Å |
| 45 | K | 56.2 | Low | 56.8 | Low | 159 Ų | 159 | 107.2 Ų | 107.2 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69 | -31.2 | 173.9 | -71.6 | -176.9 | 178.9 | -179.4 | 0 | 112.2 | G41 S42 L43 | G41-K45 PolarHBondContact O-N 2.94Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.47Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.27Å |
| 46 | F | 53.5 | Low | 56.1 | Low | 188 Ų | 188 | 105.7 Ų | 105.7 | 83% | 0.825 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -78.5 | -39 | -178.9 | -137.8 | -87.3 | 0 | 0 | 0 | 113 | S42 L43 K44 | S42-F46 PolarHBondContact O-N 3.14Å; L43-F46 PolarHBondContact O-N 3.15Å; L43-F46 VanDerWaalsContact O-N 3.09Å; K44-F46 VanDerWaalsContact C-N 3.3Å |
| 47 | L | 49.7 | Very low | 55.5 | Low | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82.1 | -22.7 | -179.9 | -78.6 | 153.6 | 0 | 0 | 0 | 113.4 | L43 | L43-L47 HydrophobicContact CD2-CD1 3.72Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 PolarHBondContact O-N 3.46Å |
| 48 | F | 49.5 | Very low | 54.7 | Low | 65 Ų | 65 | 102 Ų | 102 | 29% | 0.285 | 59% | 0.589 | S | S | . | * | trans | -122.5 | 38.1 | -172.1 | -60 | -85.9 | 0 | 0 | 0 | 113.5 | K44 P50 R59 V223 | K44-F48 HydrophobicContact CB-CD2 4.44Å; K44-F48 HydrophobicContact CG-CD2 3.79Å; K44-F48 HydrophobicContact CG-CE2 4.25Å; K44-F48 VanDerWaalsContact O-CB 3.3Å; K44-F48 WeakPolarHBondContact O-CB 3.3Å; K44-F48 VanDerWaalsContact O-CD2 3.27Å; K44-F48 WeakPolarHBondContact O-CD2 3.26Å; K44-F48 PolarHBondContact O-N 3.41Å; K44-F48 VanDerWaalsContact O-N 3.16Å; F48-P50 WeakPolarHBondContact O-CD 3.43Å; F48-R59 PolarHBondContact O-NH2 2.92Å; F48-V223 HydrophobicContact CZ-CG1 4.17Å | ||
| 49 | H | 41.6 | Very low | 54 | Low | 168 Ų | 168 | 99.7 Ų | 99.7 | 78% | 0.778 | 58% | 0.576 | S | S | * | * | trans | -96.5 | 76.8 | 167.1 | -137.5 | 83.1 | 0 | 0 | 0 | 111.2 | ||||
| 50 | P | 43.3 | Very low | 53.6 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 42% | 0.416 | 57% | 0.565 | S | S | . | * | trans | -82.5 | 130.4 | 162.6 | 33.5 | -28.6 | 0 | 0 | 0 | 107.9 | F48 R59 | F48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-R59 VanDerWaalsContact CG-NH1 3.33Å | ||
| 51 | G | 44.6 | Very low | 53.8 | Low | 58 Ų | 58 | 97.6 Ų | 97.6 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | trans | -53.8 | 139 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 52 | D | 42.2 | Very low | 54.5 | Low | 146 Ų | 146 | 104.1 Ų | 104.1 | 78% | 0.781 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 32.2 | 110.9 | 147.9 | -56 | -33.8 | 0 | 0 | 0 | 118.4 | ||
| 53 | T | 45.5 | Very low | 55.5 | Low | 141 Ų | 141 | 102 Ų | 102 | 87% | 0.865 | 55% | 0.546 | S | S | * | . | trans | 64.3 | 66.8 | 151.3 | 58.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 54 | V | 50.2 | Low | 56.6 | Low | 91 Ų | 91 | 97.7 Ų | 97.7 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | trans | -126.6 | 133.3 | 163.6 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | S56 A58 | V54-S56 PolarHBondContact O-N 3.45Å; V54-A58 HydrophobicContact CG1-CB 4.05Å | ||
| 55 | P | 52.2 | Low | 57.9 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | trans | -53.6 | 134.2 | -179.7 | 18.8 | -31 | 0 | 0 | 0 | 111.4 | T57 A58 R59 | P55-T57 PolarHBondContact O-N 2.97Å; P55-A58 HydrophobicContact CG-CB 4.38Å; P55-A58 PolarHBondContact O-N 2.93Å; P55-R59 PolarHBondContact O-N 2.88Å | ||
| 56 | S | 55.6 | Low | 59.4 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -52.7 | -32.9 | -168.7 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | V54 I60 | V54-S56 PolarHBondContact O-N 3.45Å; S56-I60 WeakPolarHBondContact O-CD1 3.07Å; S56-I60 VanDerWaalsContact O-CG1 3.3Å; S56-I60 WeakPolarHBondContact O-CG1 3.26Å; S56-I60 PolarHBondContact O-N 3.4Å |
| 57 | T | 56.4 | Low | 61.1 | Low | 113 Ų | 113 | 82 Ų | 82 | 69% | 0.693 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 179.3 | -35.3 | 0 | 0 | 0 | 0 | 112.3 | P55 R59 I60 G61 | P55-T57 PolarHBondContact O-N 2.97Å; T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.29Å; T57-I60 PolarHBondContact O-N 3.46Å; T57-G61 PolarHBondContact O-N 3.08Å |
| 58 | A | 58.8 | Low | 63 | Low | 58 Ų | 58 | 76 Ų | 76 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V54 P55 Y62 | V54-A58 HydrophobicContact CG1-CB 4.05Å; P55-A58 HydrophobicContact CG-CB 4.38Å; P55-A58 PolarHBondContact O-N 2.93Å; A58-Y62 PolarHBondContact O-N 3.28Å |
| 59 | R | 58.6 | Low | 65 | Low | 90 Ų | 90 | 76 Ų | 76 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.6 | -178 | 178.1 | 163.7 | 169.6 | 4.1 | 112.2 | F48 P50 P55 T57 Y62 E63 | F48-R59 PolarHBondContact O-NH2 2.92Å; P50-R59 VanDerWaalsContact CG-NH1 3.33Å; P55-R59 PolarHBondContact O-N 2.88Å; T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.29Å; R59-Y62 PolarHBondContact O-N 3.04Å; R59-E63 IonicContact CZ-OE1 3.38Å; R59-E63 IonicContact NE-OE1 2.91Å; R59-E63 PolarHBondContact NE-OE1 3.38Å; R59-E63 IonicContact NH2-OE1 3.88Å; R59-E63 PolarHBondContact NH2-OE1 2.98Å; R59-E63 WeakPolarHBondContact O-CG 3.35Å; R59-E63 PolarHBondContact O-N 3.46Å |
| 60 | I | 62.3 | Low | 67.5 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | -179.9 | -67.7 | 165.1 | 0 | 0 | 0 | 110.8 | S56 T57 Y62 E63 Q64 N231 | S56-I60 WeakPolarHBondContact O-CD1 3.07Å; S56-I60 VanDerWaalsContact O-CG1 3.3Å; S56-I60 WeakPolarHBondContact O-CG1 3.26Å; S56-I60 PolarHBondContact O-N 3.4Å; T57-I60 PolarHBondContact O-N 3.46Å; I60-Y62 PolarHBondContact O-N 3.06Å; I60-E63 PolarHBondContact O-N 2.96Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 PolarHBondContact O-N 3.32Å; I60-N231 WeakPolarHBondContact CG2-ND2 3.46Å; I60-N231 WeakPolarHBondContact CG2-OD1 3.46Å |
| 61 | G | 71.5 | Confident | 69.8 | Low | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T57 Q64 L65 E117 | T57-G61 PolarHBondContact O-N 3.08Å; G61-Q64 PolarHBondContact O-N 3.07Å; G61-L65 WeakPolarHBondContact O-CB 3.32Å; G61-L65 PolarHBondContact O-N 3.45Å; G61-E117 WeakPolarHBondContact CA-OE1 3.25Å |
| 62 | Y | 78 | Confident | 72.2 | Confident | 173 Ų | 173 | 67.6 Ų | 67.6 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 175.1 | -171.3 | -95.8 | 0 | 0 | 0 | 112.4 | A58 R59 I60 L65 A66 | A58-Y62 PolarHBondContact O-N 3.28Å; R59-Y62 PolarHBondContact O-N 3.04Å; I60-Y62 PolarHBondContact O-N 3.06Å; Y62-L65 PolarHBondContact O-N 2.92Å; Y62-A66 WeakPolarHBondContact O-CB 3.3Å; Y62-A66 PolarHBondContact O-N 2.73Å |
| 63 | E | 79.3 | Confident | 74.7 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.4 | -73.6 | 178.2 | -171.5 | 0 | 0 | 111.2 | R59 I60 A66 L67 | R59-E63 IonicContact CZ-OE1 3.38Å; R59-E63 IonicContact NE-OE1 2.91Å; R59-E63 PolarHBondContact NE-OE1 3.38Å; R59-E63 IonicContact NH2-OE1 3.88Å; R59-E63 PolarHBondContact NH2-OE1 2.98Å; R59-E63 WeakPolarHBondContact O-CG 3.35Å; R59-E63 PolarHBondContact O-N 3.46Å; I60-E63 PolarHBondContact O-N 2.96Å; E63-A66 PolarHBondContact O-N 2.85Å; E63-L67 VanDerWaalsContact O-CG 3.28Å; E63-L67 WeakPolarHBondContact O-CG 3.47Å; E63-L67 PolarHBondContact O-N 3.5Å |
| 64 | Q | 81.7 | Confident | 77 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 177.5 | -179.2 | 159.9 | -20.6 | 0 | 0 | 112.4 | I60 G61 L67 G68 A113 | I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 PolarHBondContact O-N 3.32Å; G61-Q64 PolarHBondContact O-N 3.07Å; Q64-L67 PolarHBondContact O-N 3.4Å; Q64-G68 PolarHBondContact O-N 3.38Å; Q64-A113 PolarHBondContact NE2-O 2.98Å; Q64-A113 VanDerWaalsContact NE2-O 3.15Å |
| 65 | L | 84.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.7 | -175.6 | 135.8 | 0 | 0 | 0 | 111.6 | G61 Y62 L67 G68 V69 | G61-L65 WeakPolarHBondContact O-CB 3.32Å; G61-L65 PolarHBondContact O-N 3.45Å; Y62-L65 PolarHBondContact O-N 2.92Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 3.36Å; L65-G68 PolarHBondContact O-N 2.94Å; L65-V69 HydrophobicContact CD2-CG2 4.39Å; L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 3.42Å |
| 66 | A | 88.8 | Confident | 81.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y62 E63 T70 | Y62-A66 WeakPolarHBondContact O-CB 3.3Å; Y62-A66 PolarHBondContact O-N 2.73Å; E63-A66 PolarHBondContact O-N 2.85Å; A66-T70 WeakPolarHBondContact O-CB 3.44Å; A66-T70 PolarHBondContact O-N 3.3Å; A66-T70 PolarHBondContact O-OG1 3.28Å |
| 67 | L | 88.9 | Confident | 83.1 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 174.9 | -72.3 | 169.5 | 0 | 0 | 0 | 111.9 | E63 Q64 L65 T70 Q71 V220 V223 V227 | E63-L67 VanDerWaalsContact O-CG 3.28Å; E63-L67 WeakPolarHBondContact O-CG 3.47Å; E63-L67 PolarHBondContact O-N 3.5Å; Q64-L67 PolarHBondContact O-N 3.4Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 3.36Å; L67-T70 WeakPolarHBondContact O-CB 3.42Å; L67-T70 PolarHBondContact O-N 2.95Å; L67-Q71 WeakPolarHBondContact O-CG 3.3Å; L67-Q71 PolarHBondContact O-N 2.85Å; L67-V220 HydrophobicContact CD2-CG1 4.23Å; L67-V223 HydrophobicContact CD1-CG1 4.01Å; L67-V223 HydrophobicContact CD2-CB 4.37Å; L67-V223 HydrophobicContact CD2-CG1 3.85Å; L67-V227 HydrophobicContact CD1-CG2 4.13Å |
| 68 | G | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q64 L65 T70 Q71 I72 | Q64-G68 PolarHBondContact O-N 3.38Å; L65-G68 PolarHBondContact O-N 2.94Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 3.49Å; G68-Q71 WeakPolarHBondContact O-CB 3.28Å; G68-Q71 PolarHBondContact O-N 3.27Å; G68-I72 WeakPolarHBondContact O-CG1 2.87Å; G68-I72 PolarHBondContact O-N 2.9Å |
| 69 | V | 92.1 | Very high | 86.4 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L65 Q71 I72 L73 I114 | L65-V69 HydrophobicContact CD2-CG2 4.39Å; L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.39Å; L65-V69 PolarHBondContact O-N 3.42Å; V69-Q71 VanDerWaalsContact C-N 3.33Å; V69-Q71 PolarHBondContact O-N 2.91Å; V69-I72 PolarHBondContact O-N 3.29Å; V69-L73 HydrophobicContact CG1-CD1 4.09Å; V69-L73 HydrophobicContact CG1-CG 4.39Å; V69-L73 WeakPolarHBondContact O-CG 3.27Å; V69-L73 PolarHBondContact O-N 3.36Å; V69-I114 HydrophobicContact CG2-CD1 4.35Å |
| 70 | T | 92.9 | Very high | 88.1 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | A66 L67 G68 L73 L74 V220 | A66-T70 WeakPolarHBondContact O-CB 3.44Å; A66-T70 PolarHBondContact O-N 3.3Å; A66-T70 PolarHBondContact O-OG1 3.28Å; L67-T70 WeakPolarHBondContact O-CB 3.42Å; L67-T70 PolarHBondContact O-N 2.95Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 3.49Å; T70-L73 PolarHBondContact O-N 2.77Å; T70-L74 VanDerWaalsContact O-CB 3.23Å; T70-L74 WeakPolarHBondContact O-CB 3.38Å; T70-L74 PolarHBondContact O-N 3.41Å; T70-V220 HydrophobicContact CG2-CG1 4.39Å; T70-V220 HydrophobicContact CG2-CG2 4.04Å |
| 71 | Q | 93 | Very high | 89.5 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 174.3 | -75 | 177.5 | -22.5 | 0 | 0 | 111.3 | L67 G68 V69 L73 L74 G75 V106 V220 S224 | L67-Q71 WeakPolarHBondContact O-CG 3.3Å; L67-Q71 PolarHBondContact O-N 2.85Å; G68-Q71 WeakPolarHBondContact O-CB 3.28Å; G68-Q71 PolarHBondContact O-N 3.27Å; V69-Q71 VanDerWaalsContact C-N 3.33Å; V69-Q71 PolarHBondContact O-N 2.91Å; Q71-L73 PolarHBondContact O-N 2.93Å; Q71-L74 PolarHBondContact O-N 3.49Å; Q71-G75 PolarHBondContact O-N 2.94Å; Q71-V106 HydrophobicContact CB-CG1 3.84Å; Q71-V106 HydrophobicContact CG-CG1 4.24Å; Q71-V106 VanDerWaalsContact O-CG1 3.3Å; Q71-V106 WeakPolarHBondContact O-CG1 3.3Å; Q71-V220 HydrophobicContact CG-CG1 3.65Å; Q71-S224 PolarHBondContact NE2-OG 3.25Å |
| 72 | I | 93.5 | Very high | 90.3 | Very high | 49 Ų | 49 | 45 Ų | 45 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -50.7 | 177.8 | -67.1 | 166.9 | 0 | 0 | 0 | 110.7 | G68 V69 L74 G75 V76 I114 | G68-I72 WeakPolarHBondContact O-CG1 2.87Å; G68-I72 PolarHBondContact O-N 2.9Å; V69-I72 PolarHBondContact O-N 3.29Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.47Å; I72-G75 PolarHBondContact O-N 2.91Å; I72-G75 VanDerWaalsContact O-N 3.17Å; I72-V76 HydrophobicContact CG2-CG2 4.45Å; I72-V76 WeakPolarHBondContact O-CG2 3.39Å; I72-V76 PolarHBondContact O-N 3.03Å; I72-I114 HydrophobicContact CD1-CD1 3.69Å |
| 73 | L | 95.4 | Very high | 90.8 | Very high | 109 Ų | 109 | 40.4 Ų | 40.4 | 57% | 0.571 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.4 | -44.7 | 179.8 | -71.4 | 174.9 | 0 | 0 | 0 | 111.6 | V69 T70 Q71 G75 V76 V77 | V69-L73 HydrophobicContact CG1-CD1 4.09Å; V69-L73 HydrophobicContact CG1-CG 4.39Å; V69-L73 WeakPolarHBondContact O-CG 3.27Å; V69-L73 PolarHBondContact O-N 3.36Å; T70-L73 PolarHBondContact O-N 2.77Å; Q71-L73 PolarHBondContact O-N 2.93Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.17Å; L73-V76 PolarHBondContact O-N 3.44Å; L73-V77 VanDerWaalsContact O-CG2 3.31Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.5Å |
| 74 | L | 94.9 | Very high | 91.2 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -31.5 | -179.6 | -161.1 | 62.6 | 0 | 0 | 0 | 112.4 | T70 Q71 I72 S78 V213 L216 K217 | T70-L74 VanDerWaalsContact O-CB 3.23Å; T70-L74 WeakPolarHBondContact O-CB 3.38Å; T70-L74 PolarHBondContact O-N 3.41Å; Q71-L74 PolarHBondContact O-N 3.49Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.47Å; L74-S78 WeakPolarHBondContact O-CB 3.4Å; L74-S78 PolarHBondContact O-N 3.43Å; L74-V213 HydrophobicContact CD1-CB 4.28Å; L74-V213 HydrophobicContact CD1-CG1 3.71Å; L74-V213 HydrophobicContact CD1-CG2 4.24Å; L74-V213 HydrophobicContact CG-CG1 4.03Å; L74-L216 HydrophobicContact CD1-CB 4.23Å; L74-L216 HydrophobicContact CD1-CD1 4.45Å; L74-L216 HydrophobicContact CD2-CB 3.82Å; L74-K217 HydrophobicContact CB-CG 4.4Å; L74-K217 HydrophobicContact CD2-CB 3.99Å; L74-K217 HydrophobicContact CD2-CG 3.28Å; L74-K217 VanDerWaalsContact CD2-N 3.35Å; L74-K217 HydrophobicContact CG-CD 4.47Å; L74-K217 HydrophobicContact CG-CG 3.55Å; L74-K217 WeakPolarHBondContact O-CE 3.3Å |
| 75 | G | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q71 I72 L73 S78 C79 | Q71-G75 PolarHBondContact O-N 2.94Å; I72-G75 PolarHBondContact O-N 2.91Å; I72-G75 VanDerWaalsContact O-N 3.17Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.17Å; G75-S78 VanDerWaalsContact O-CB 3.3Å; G75-S78 WeakPolarHBondContact O-CB 3.48Å; G75-S78 PolarHBondContact O-N 3.37Å; G75-C79 PolarHBondContact O-N 3.22Å; G75-C79 PolarHBondContact O-SG 3.27Å; G75-C79 VanDerWaalsContact O-SG 3.38Å |
| 76 | V | 95.3 | Very high | 91.2 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | I72 L73 S78 C79 V80 I107 | I72-V76 HydrophobicContact CG2-CG2 4.45Å; I72-V76 WeakPolarHBondContact O-CG2 3.39Å; I72-V76 PolarHBondContact O-N 3.03Å; L73-V76 PolarHBondContact O-N 3.44Å; V76-S78 PolarHBondContact O-N 3.32Å; V76-C79 PolarHBondContact O-N 2.87Å; V76-V80 HydrophobicContact CG1-CG2 4.45Å; V76-V80 WeakPolarHBondContact O-CG2 3.45Å; V76-V80 PolarHBondContact O-N 2.95Å; V76-I107 HydrophobicContact CG2-CD1 4.24Å |
| 77 | V | 95 | Very high | 90.9 | Very high | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L73 V80 L81 V213 | L73-V77 VanDerWaalsContact O-CG2 3.31Å; L73-V77 WeakPolarHBondContact O-CG2 3.37Å; L73-V77 PolarHBondContact O-N 3.5Å; V77-V80 PolarHBondContact O-N 3.5Å; V77-L81 HydrophobicContact CG1-CD1 3.93Å; V77-L81 HydrophobicContact CG1-CG 4.39Å; V77-L81 WeakPolarHBondContact O-CB 3.41Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.41Å; V77-L81 PolarHBondContact O-N 3.46Å; V77-V213 HydrophobicContact CG1-CG2 3.87Å |
| 78 | S | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 113.1 | L74 G75 V76 L81 G82 A99 F210 K217 | L74-S78 WeakPolarHBondContact O-CB 3.4Å; L74-S78 PolarHBondContact O-N 3.43Å; G75-S78 VanDerWaalsContact O-CB 3.3Å; G75-S78 WeakPolarHBondContact O-CB 3.48Å; G75-S78 PolarHBondContact O-N 3.37Å; V76-S78 PolarHBondContact O-N 3.32Å; S78-L81 PolarHBondContact O-N 2.94Å; S78-G82 PolarHBondContact O-N 2.86Å; S78-A99 PolarHBondContact OG-O 2.82Å; S78-F210 WeakPolarHBondContact OG-CE2 3.43Å; S78-K217 PolarHBondContact OG-NZ 3.22Å |
| 79 | C | 92.7 | Very high | 89 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.3 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | G75 V76 L81 G82 V83 | G75-C79 PolarHBondContact O-N 3.22Å; G75-C79 PolarHBondContact O-SG 3.27Å; G75-C79 VanDerWaalsContact O-SG 3.38Å; V76-C79 PolarHBondContact O-N 2.87Å; C79-L81 PolarHBondContact O-N 2.74Å; C79-G82 CarbonylContact O-C 3.41Å; C79-G82 WeakPolarHBondContact O-CA 3.46Å; C79-G82 PolarHBondContact O-N 3.49Å; C79-G82 VanDerWaalsContact O-N 3.09Å; C79-V83 WeakPolarHBondContact O-CG2 3.49Å; C79-V83 PolarHBondContact O-N 3.36Å |
| 80 | V | 93.6 | Very high | 87.7 | Confident | 84 Ų | 84 | 54 Ų | 54 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | V76 V77 G82 V83 C84 | V76-V80 HydrophobicContact CG1-CG2 4.45Å; V76-V80 WeakPolarHBondContact O-CG2 3.45Å; V76-V80 PolarHBondContact O-N 2.95Å; V77-V80 PolarHBondContact O-N 3.5Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.4Å; V80-V83 PolarHBondContact O-N 3.21Å; V80-C84 PolarHBondContact O-N 2.96Å; V80-C84 PolarHBondContact O-SG 2.89Å |
| 81 | L | 91.4 | Very high | 86.3 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -35.7 | 174.5 | -70 | 170.6 | 0 | 0 | 0 | 111.6 | V77 S78 C79 C84 L85 I206 L209 F210 V213 | V77-L81 HydrophobicContact CG1-CD1 3.93Å; V77-L81 HydrophobicContact CG1-CG 4.39Å; V77-L81 WeakPolarHBondContact O-CB 3.41Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.41Å; V77-L81 PolarHBondContact O-N 3.46Å; S78-L81 PolarHBondContact O-N 2.94Å; C79-L81 PolarHBondContact O-N 2.74Å; L81-C84 WeakPolarHBondContact O-CB 3.23Å; L81-C84 PolarHBondContact O-N 3.13Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.22Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.48Å; L81-I206 HydrophobicContact CD2-CG2 4.07Å; L81-L209 HydrophobicContact CD2-CB 4.41Å; L81-F210 HydrophobicContact CB-CD2 4.11Å; L81-F210 HydrophobicContact CD1-CB 4.16Å; L81-F210 HydrophobicContact CD1-CD2 4.21Å; L81-V213 HydrophobicContact CD1-CB 4.41Å; L81-V213 HydrophobicContact CD1-CG2 3.95Å |
| 82 | G | 89.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S78 C79 V80 L85 S86 | S78-G82 PolarHBondContact O-N 2.86Å; C79-G82 CarbonylContact O-C 3.41Å; C79-G82 WeakPolarHBondContact O-CA 3.46Å; C79-G82 PolarHBondContact O-N 3.49Å; C79-G82 VanDerWaalsContact O-N 3.09Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.4Å; G82-L85 PolarHBondContact O-N 2.93Å; G82-S86 WeakPolarHBondContact O-CB 3.48Å; G82-S86 PolarHBondContact O-N 3.09Å; G82-S86 PolarHBondContact O-OG 3.03Å |
| 83 | V | 88.9 | Confident | 83.4 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | C79 V80 L85 S86 L87 F100 | C79-V83 WeakPolarHBondContact O-CG2 3.49Å; C79-V83 PolarHBondContact O-N 3.36Å; V80-V83 PolarHBondContact O-N 3.21Å; V83-L85 VanDerWaalsContact C-N 3.28Å; V83-L85 PolarHBondContact O-N 3.16Å; V83-S86 WeakPolarHBondContact O-CB 3.36Å; V83-S86 PolarHBondContact O-N 3.2Å; V83-L87 WeakPolarHBondContact O-CG 3.42Å; V83-L87 PolarHBondContact O-N 3.36Å; V83-L87 VanDerWaalsContact O-N 3.11Å; V83-F100 HydrophobicContact CG2-CE1 4.08Å; V83-F100 HydrophobicContact CG2-CZ 4.28Å |
| 84 | C | 87.6 | Confident | 82 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 31% | 0.311 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 176.7 | -65 | 0 | 0 | 0 | 0 | 112.5 | V80 L81 S86 F203 I206 | V80-C84 PolarHBondContact O-N 2.96Å; V80-C84 PolarHBondContact O-SG 2.89Å; L81-C84 WeakPolarHBondContact O-CB 3.23Å; L81-C84 PolarHBondContact O-N 3.13Å; C84-S86 VanDerWaalsContact C-N 3.32Å; C84-F203 WeakPolarHBondContact O-CE1 3.39Å; C84-I206 HydrophobicContact CB-CD1 4.21Å; C84-I206 HydrophobicContact CB-CG2 4.23Å |
| 85 | L | 85.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.2 | -29 | 175.4 | -71.4 | 169.1 | 0 | 0 | 0 | 113 | L81 G82 V83 G88 L93 S94 I206 R207 F210 | L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.22Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.48Å; G82-L85 PolarHBondContact O-N 2.93Å; V83-L85 VanDerWaalsContact C-N 3.28Å; V83-L85 PolarHBondContact O-N 3.16Å; L85-G88 PolarHBondContact O-N 3.05Å; L85-L93 HydrophobicContact CD1-CD2 3.85Å; L85-L93 HydrophobicContact CD2-CD2 4.39Å; L85-S94 PolarHBondContact O-OG 2.89Å; L85-I206 HydrophobicContact CD2-CB 4.48Å; L85-I206 HydrophobicContact CD2-CG2 3.69Å; L85-I206 HydrophobicContact CG-CG2 3.82Å; L85-R207 HydrophobicContact CD2-CG 3.9Å; L85-F210 HydrophobicContact CD1-CD1 4.39Å; L85-F210 HydrophobicContact CD1-CG 4.39Å |
| 86 | S | 81 | Confident | 79.8 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.2 | -27.1 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | G82 V83 C84 G88 | G82-S86 WeakPolarHBondContact O-CB 3.48Å; G82-S86 PolarHBondContact O-N 3.09Å; G82-S86 PolarHBondContact O-OG 3.03Å; V83-S86 WeakPolarHBondContact O-CB 3.36Å; V83-S86 PolarHBondContact O-N 3.2Å; C84-S86 VanDerWaalsContact C-N 3.32Å; S86-G88 PolarHBondContact O-N 3.43Å |
| 87 | L | 81.5 | Confident | 79.3 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 76% | 0.764 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -8.4 | 172.6 | -63.7 | 175 | 0 | 0 | 0 | 113.1 | V83 | V83-L87 WeakPolarHBondContact O-CG 3.42Å; V83-L87 PolarHBondContact O-N 3.36Å; V83-L87 VanDerWaalsContact O-N 3.11Å |
| 88 | G | 70.9 | Confident | 78.8 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -90.6 | -180 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L85 S86 W90 | L85-G88 PolarHBondContact O-N 3.05Å; S86-G88 PolarHBondContact O-N 3.43Å; G88-W90 PolarHBondContact O-N 2.89Å |
| 89 | P | 67.4 | Low | 78.5 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -55.4 | 135.9 | 169.4 | 23.1 | -30.5 | 0 | 0 | 0 | 109.2 | T91 F203 | P89-T91 VanDerWaalsContact O-CG2 3.3Å; P89-T91 WeakPolarHBondContact O-CG2 3.45Å; P89-T91 PolarHBondContact O-N 2.87Å; P89-F203 VanDerWaalsContact CD-CE2 3.44Å; P89-F203 HydrophobicContact CG-CD2 4.24Å |
| 90 | W | 64.2 | Low | 78.2 | Confident | 208 Ų | 208 | 51.3 Ų | 51.3 | 79% | 0.788 | 30% | 0.298 | S | S | * | . | trans | -54 | 110.8 | -178.9 | -174.7 | -87.6 | 0 | 0 | 0 | 109.8 | G88 A95 | G88-W90 PolarHBondContact O-N 2.89Å; W90-A95 HydrophobicContact CZ2-CB 3.97Å | ||
| 91 | T | 65.2 | Low | 78.1 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -124.2 | 154.1 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | P89 L93 S94 A95 F157 R207 | P89-T91 VanDerWaalsContact O-CG2 3.3Å; P89-T91 WeakPolarHBondContact O-CG2 3.45Å; P89-T91 PolarHBondContact O-N 2.87Å; T91-L93 PolarHBondContact O-N 3.38Å; T91-S94 WeakPolarHBondContact O-CA 3.27Å; T91-S94 WeakPolarHBondContact O-CB 3.43Å; T91-S94 PolarHBondContact O-N 3.44Å; T91-S94 PolarHBondContact OG1-OG 3.32Å; T91-A95 PolarHBondContact O-N 2.93Å; T91-F157 HydrophobicContact CG2-CE1 4.44Å; T91-F157 HydrophobicContact CG2-CE2 4.26Å; T91-F157 HydrophobicContact CG2-CZ 3.73Å; T91-R207 VanDerWaalsContact CB-NH2 3.3Å; T91-R207 PolarHBondContact OG1-NH2 3.11Å | ||
| 92 | V | 62 | Low | 78.1 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -50.7 | -34.2 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | A95 S96 | V92-A95 PolarHBondContact O-N 3.07Å; V92-S96 PolarHBondContact O-N 3.3Å |
| 93 | L | 62.3 | Low | 78.2 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 176 | -158.7 | 70.2 | 0 | 0 | 0 | 112.3 | L85 T91 S96 C98 R207 F210 | L85-L93 HydrophobicContact CD1-CD2 3.85Å; L85-L93 HydrophobicContact CD2-CD2 4.39Å; T91-L93 PolarHBondContact O-N 3.38Å; L93-S96 PolarHBondContact O-N 3.38Å; L93-S96 PolarHBondContact O-OG 3.3Å; L93-C98 VanDerWaalsContact CD1-SG 3.54Å; L93-R207 HydrophobicContact CD2-CG 4Å; L93-F210 HydrophobicContact CD2-CD1 4.26Å |
| 94 | S | 66.5 | Low | 78.3 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.8 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | L85 T91 S96 G97 | L85-S94 PolarHBondContact O-OG 2.89Å; T91-S94 WeakPolarHBondContact O-CA 3.27Å; T91-S94 WeakPolarHBondContact O-CB 3.43Å; T91-S94 PolarHBondContact O-N 3.44Å; T91-S94 PolarHBondContact OG1-OG 3.32Å; S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact O-N 3.46Å; S94-G97 PolarHBondContact O-N 2.86Å |
| 95 | A | 65.6 | Low | 78.5 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W90 T91 V92 G97 | W90-A95 HydrophobicContact CZ2-CB 3.97Å; T91-A95 PolarHBondContact O-N 2.93Å; V92-A95 PolarHBondContact O-N 3.07Å; A95-G97 PolarHBondContact O-N 3.25Å |
| 96 | S | 78.1 | Confident | 78.9 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.5 | 179.8 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | V92 L93 S94 C98 W101 | V92-S96 PolarHBondContact O-N 3.3Å; L93-S96 PolarHBondContact O-N 3.38Å; L93-S96 PolarHBondContact O-OG 3.3Å; S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact O-N 3.46Å; S96-C98 PolarHBondContact O-N 3Å; S96-C98 WeakPolarHBondContact OG-CB 3.46Å; S96-C98 PolarHBondContact OG-N 3.02Å; S96-C98 PolarHBondContact OG-SG 3.17Å; S96-C98 VanDerWaalsContact OG-SG 3.37Å; S96-W101 PolarHBondContact O-NE1 2.92Å |
| 97 | G | 83.4 | Confident | 79.4 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S94 A95 A99 F100 W101 | S94-G97 PolarHBondContact O-N 2.86Å; A95-G97 PolarHBondContact O-N 3.25Å; G97-A99 VanDerWaalsContact C-N 3.27Å; G97-A99 PolarHBondContact O-N 2.88Å; G97-F100 WeakPolarHBondContact O-CB 3.44Å; G97-F100 PolarHBondContact O-N 3.27Å; G97-W101 PolarHBondContact O-N 3.3Å |
| 98 | C | 85.8 | Confident | 80 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -34.7 | -169.2 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | L93 S96 F100 W101 A102 L145 | L93-C98 VanDerWaalsContact CD1-SG 3.54Å; S96-C98 PolarHBondContact O-N 3Å; S96-C98 WeakPolarHBondContact OG-CB 3.46Å; S96-C98 PolarHBondContact OG-N 3.02Å; S96-C98 PolarHBondContact OG-SG 3.17Å; S96-C98 VanDerWaalsContact OG-SG 3.37Å; C98-F100 VanDerWaalsContact C-N 3.26Å; C98-F100 PolarHBondContact O-N 2.95Å; C98-W101 HydrophobicContact CB-CH2 4.39Å; C98-W101 HydrophobicContact CB-CZ2 3.55Å; C98-A102 WeakPolarHBondContact O-CB 3.42Å; C98-A102 PolarHBondContact O-N 3.45Å; C98-L145 HydrophobicContact CB-CD1 3.82Å |
| 99 | A | 85.2 | Confident | 80.9 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S78 G97 G103 F210 | S78-A99 PolarHBondContact OG-O 2.82Å; G97-A99 VanDerWaalsContact C-N 3.27Å; G97-A99 PolarHBondContact O-N 2.88Å; A99-G103 PolarHBondContact O-N 2.86Å; A99-G103 VanDerWaalsContact O-N 3.15Å; A99-F210 VanDerWaalsContact CA-CZ 3.46Å; A99-F210 HydrophobicContact CB-CD2 4.36Å; A99-F210 HydrophobicContact CB-CE1 4.45Å; A99-F210 HydrophobicContact CB-CE2 3.62Å; A99-F210 HydrophobicContact CB-CZ 3.69Å |
| 100 | F | 87.7 | Confident | 81.9 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 37% | 0.373 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -78 | -54.3 | -179.9 | -63.6 | -69.7 | 0 | 0 | 0 | 111.5 | V83 G97 C98 G103 S104 | V83-F100 HydrophobicContact CG2-CE1 4.08Å; V83-F100 HydrophobicContact CG2-CZ 4.28Å; G97-F100 WeakPolarHBondContact O-CB 3.44Å; G97-F100 PolarHBondContact O-N 3.27Å; C98-F100 VanDerWaalsContact C-N 3.26Å; C98-F100 PolarHBondContact O-N 2.95Å; F100-G103 PolarHBondContact O-N 2.9Å; F100-S104 WeakPolarHBondContact O-CB 3.4Å; F100-S104 PolarHBondContact O-N 3.06Å; F100-S104 PolarHBondContact O-OG 3.33Å; F100-S104 VanDerWaalsContact O-OG 3.05Å |
| 101 | W | 91 | Very high | 83.2 | Confident | 86 Ų | 86 | 32.8 Ų | 32.8 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -40.2 | -178 | 55 | -99.5 | 0 | 0 | 0 | 112.4 | S96 G97 C98 G103 V105 T138 A141 A142 L145 | S96-W101 PolarHBondContact O-NE1 2.92Å; G97-W101 PolarHBondContact O-N 3.3Å; C98-W101 HydrophobicContact CB-CH2 4.39Å; C98-W101 HydrophobicContact CB-CZ2 3.55Å; W101-G103 VanDerWaalsContact C-N 3.27Å; W101-G103 PolarHBondContact O-N 3.35Å; W101-V105 VanDerWaalsContact O-CG2 3.27Å; W101-V105 WeakPolarHBondContact O-CG2 3.21Å; W101-V105 PolarHBondContact O-N 2.89Å; W101-V105 VanDerWaalsContact O-N 3.11Å; W101-T138 HydrophobicContact CE3-CG2 3.81Å; W101-T138 HydrophobicContact CZ3-CG2 3.86Å; W101-T138 VanDerWaalsContact CZ3-O 3.28Å; W101-T138 WeakPolarHBondContact CZ3-O 3.38Å; W101-A141 HydrophobicContact CH2-CB 3.65Å; W101-A141 HydrophobicContact CZ3-CB 4.1Å; W101-A142 HydrophobicContact CH2-CB 4.45Å; W101-L145 HydrophobicContact CH2-CD1 4.24Å; W101-L145 HydrophobicContact CZ2-CD1 3.68Å |
| 102 | A | 90.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.5 | -24.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | C98 V106 A142 K217 | C98-A102 WeakPolarHBondContact O-CB 3.42Å; C98-A102 PolarHBondContact O-N 3.45Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-A142 HydrophobicContact CB-CB 3.9Å; A102-K217 VanDerWaalsContact C-NZ 3.28Å; A102-K217 PolarHBondContact O-NZ 3.09Å |
| 103 | G | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.2 | -57.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A99 F100 W101 V105 V106 I107 | A99-G103 PolarHBondContact O-N 2.86Å; A99-G103 VanDerWaalsContact O-N 3.15Å; F100-G103 PolarHBondContact O-N 2.9Å; W101-G103 VanDerWaalsContact C-N 3.27Å; W101-G103 PolarHBondContact O-N 3.35Å; G103-V105 PolarHBondContact O-N 3.38Å; G103-V106 PolarHBondContact O-N 2.89Å; G103-I107 WeakPolarHBondContact O-CG1 3.31Å; G103-I107 PolarHBondContact O-N 2.87Å |
| 104 | S | 91.9 | Very high | 86.1 | Confident | 67 Ų | 67 | 29.9 Ų | 29.9 | 47% | 0.469 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.8 | -43.3 | -176.1 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | F100 V106 I107 A108 | F100-S104 WeakPolarHBondContact O-CB 3.4Å; F100-S104 PolarHBondContact O-N 3.06Å; F100-S104 PolarHBondContact O-OG 3.33Å; F100-S104 VanDerWaalsContact O-OG 3.05Å; S104-V106 VanDerWaalsContact C-N 3.32Å; S104-V106 PolarHBondContact O-N 3.34Å; S104-I107 PolarHBondContact O-N 2.7Å; S104-A108 PolarHBondContact O-N 2.92Å |
| 105 | V | 92.7 | Very high | 86.9 | Confident | 41 Ų | 41 | 32.4 Ų | 32.4 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | W101 G103 A108 A109 A134 T138 | W101-V105 VanDerWaalsContact O-CG2 3.27Å; W101-V105 WeakPolarHBondContact O-CG2 3.21Å; W101-V105 PolarHBondContact O-N 2.89Å; W101-V105 VanDerWaalsContact O-N 3.11Å; G103-V105 PolarHBondContact O-N 3.38Å; V105-A108 PolarHBondContact O-N 3.22Å; V105-A109 WeakPolarHBondContact O-CB 3.3Å; V105-A109 PolarHBondContact O-N 3.39Å; V105-A134 HydrophobicContact CG1-CB 3.99Å; V105-T138 HydrophobicContact CB-CG2 4.44Å; V105-T138 HydrophobicContact CG1-CG2 4.31Å; V105-T138 HydrophobicContact CG2-CG2 4.26Å |
| 106 | V | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72 | -35.1 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | Q71 A102 G103 S104 A108 A109 G110 K217 | Q71-V106 HydrophobicContact CB-CG1 3.84Å; Q71-V106 HydrophobicContact CG-CG1 4.24Å; Q71-V106 VanDerWaalsContact O-CG1 3.3Å; Q71-V106 WeakPolarHBondContact O-CG1 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; G103-V106 PolarHBondContact O-N 2.89Å; S104-V106 VanDerWaalsContact C-N 3.32Å; S104-V106 PolarHBondContact O-N 3.34Å; V106-A108 VanDerWaalsContact C-N 3.35Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-G110 PolarHBondContact O-N 2.89Å; V106-K217 HydrophobicContact CG1-CG 4.49Å; V106-K217 HydrophobicContact CG2-CD 4.05Å; V106-K217 HydrophobicContact CG2-CG 4.39Å |
| 107 | I | 93.3 | Very high | 87.3 | Confident | 53 Ų | 53 | 34 Ų | 34 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 171.1 | -63.9 | 169.7 | 0 | 0 | 0 | 110.2 | V76 G103 S104 A109 G110 A111 | V76-I107 HydrophobicContact CG2-CD1 4.24Å; G103-I107 WeakPolarHBondContact O-CG1 3.31Å; G103-I107 PolarHBondContact O-N 2.87Å; S104-I107 PolarHBondContact O-N 2.7Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.46Å; I107-G110 PolarHBondContact O-N 3.32Å; I107-A111 WeakPolarHBondContact O-CB 3.33Å; I107-A111 PolarHBondContact O-N 2.95Å |
| 108 | A | 93.1 | Very high | 86.9 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S104 V105 V106 A111 G112 L131 | S104-A108 PolarHBondContact O-N 2.92Å; V105-A108 PolarHBondContact O-N 3.22Å; V106-A108 VanDerWaalsContact C-N 3.35Å; A108-A111 PolarHBondContact O-N 2.92Å; A108-G112 PolarHBondContact O-N 3.35Å; A108-L131 HydrophobicContact CB-CD2 4.25Å |
| 109 | A | 90 | Very high | 86.3 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V105 V106 I107 G112 A113 L131 | V105-A109 WeakPolarHBondContact O-CB 3.3Å; V105-A109 PolarHBondContact O-N 3.39Å; V106-A109 PolarHBondContact O-N 3.18Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.46Å; A109-G112 PolarHBondContact O-N 2.93Å; A109-A113 WeakPolarHBondContact O-CB 3.26Å; A109-A113 PolarHBondContact O-N 2.97Å; A109-L131 HydrophobicContact CB-CB 4.21Å |
| 110 | G | 88.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | V106 I107 A113 I114 | V106-G110 PolarHBondContact O-N 2.89Å; I107-G110 PolarHBondContact O-N 3.32Å; G110-A113 PolarHBondContact O-N 3.31Å; G110-I114 VanDerWaalsContact O-CG1 3.3Å; G110-I114 WeakPolarHBondContact O-CG1 3.33Å; G110-I114 PolarHBondContact O-N 3.21Å; G110-I114 VanDerWaalsContact O-N 3.14Å |
| 111 | A | 90.4 | Very high | 85 | Confident | 43 Ų | 43 | 49 Ų | 49 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I107 A108 A113 I114 V115 | I107-A111 WeakPolarHBondContact O-CB 3.33Å; I107-A111 PolarHBondContact O-N 2.95Å; A108-A111 PolarHBondContact O-N 2.92Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A111-A113 PolarHBondContact O-N 3.47Å; A111-I114 PolarHBondContact O-N 3.35Å; A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.18Å |
| 112 | G | 85.2 | Confident | 84.2 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A108 A109 I114 V115 H116 | A108-G112 PolarHBondContact O-N 3.35Å; A109-G112 PolarHBondContact O-N 2.93Å; G112-I114 PolarHBondContact O-N 2.79Å; G112-V115 PolarHBondContact O-N 3.38Å; G112-H116 WeakPolarHBondContact O-CB 3.34Å; G112-H116 PolarHBondContact O-N 3.18Å |
| 113 | A | 83 | Confident | 83.7 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q64 A109 G110 A111 E117 | Q64-A113 PolarHBondContact NE2-O 2.98Å; Q64-A113 VanDerWaalsContact NE2-O 3.15Å; A109-A113 WeakPolarHBondContact O-CB 3.26Å; A109-A113 PolarHBondContact O-N 2.97Å; G110-A113 PolarHBondContact O-N 3.31Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A111-A113 PolarHBondContact O-N 3.47Å; A113-E117 PolarHBondContact O-N 2.92Å |
| 114 | I | 83.3 | Confident | 83.2 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.4 | -39.7 | 176.4 | -65.3 | 165.6 | 0 | 0 | 0 | 111.2 | V69 I72 G110 A111 G112 E117 K118 | V69-I114 HydrophobicContact CG2-CD1 4.35Å; I72-I114 HydrophobicContact CD1-CD1 3.69Å; G110-I114 VanDerWaalsContact O-CG1 3.3Å; G110-I114 WeakPolarHBondContact O-CG1 3.33Å; G110-I114 PolarHBondContact O-N 3.21Å; G110-I114 VanDerWaalsContact O-N 3.14Å; A111-I114 PolarHBondContact O-N 3.35Å; G112-I114 PolarHBondContact O-N 2.79Å; I114-E117 PolarHBondContact O-N 3.2Å; I114-K118 PolarHBondContact O-N 3.23Å |
| 115 | V | 83 | Confident | 82.5 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 179.1 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | A111 G112 E117 K118 H119 | A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.18Å; G112-V115 PolarHBondContact O-N 3.38Å; V115-E117 PolarHBondContact O-N 3.38Å; V115-K118 PolarHBondContact O-N 2.94Å; V115-K118 VanDerWaalsContact O-N 3.14Å; V115-H119 PolarHBondContact O-N 3.3Å |
| 116 | H | 78.3 | Confident | 82 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.6 | -38.4 | 175.7 | 177.7 | -99.5 | 0 | 0 | 0 | 112.4 | G112 H119 G125 | G112-H116 WeakPolarHBondContact O-CB 3.34Å; G112-H116 PolarHBondContact O-N 3.18Å; H116-H119 CarbonylContact O-C 3.52Å; H116-G125 WeakPolarHBondContact CD2-CA 3.27Å; H116-G125 PolarHBondContact CD2-N 2.8Å; H116-G125 VanDerWaalsContact NE2-CA 3.35Å; H116-G125 WeakPolarHBondContact NE2-CA 3.27Å |
| 117 | E | 74 | Confident | 81.7 | Confident | 80 Ų | 80 | 70 Ų | 70 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 177.6 | -170.7 | 62.4 | -166.5 | 0 | 0 | 112.1 | G61 A113 I114 V115 | G61-E117 WeakPolarHBondContact CA-OE1 3.25Å; A113-E117 PolarHBondContact O-N 2.92Å; I114-E117 PolarHBondContact O-N 3.2Å; V115-E117 PolarHBondContact O-N 3.38Å |
| 118 | K | 74.9 | Confident | 81.3 | Confident | 151 Ų | 151 | 68 Ų | 68 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.8 | -31.1 | 179.4 | -70 | -172.1 | 178.1 | -169.5 | 0 | 113.5 | I114 V115 | I114-K118 PolarHBondContact O-N 3.23Å; V115-K118 PolarHBondContact O-N 2.94Å; V115-K118 VanDerWaalsContact O-N 3.14Å |
| 119 | H | 73.2 | Confident | 80.8 | Confident | 127 Ų | 127 | 68.5 Ų | 68.5 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -132 | 84.2 | -176.5 | -58.9 | 89.1 | 0 | 0 | 0 | 109.6 | V115 H116 G121 | V115-H119 PolarHBondContact O-N 3.3Å; H116-H119 CarbonylContact O-C 3.52Å; H119-G121 PolarHBondContact O-N 3.27Å |
| 120 | P | 70.2 | Confident | 80.8 | Confident | 116 Ų | 116 | 74 Ų | 74 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | trans | -69.6 | 92.9 | -179 | 28 | -33.9 | 0 | 0 | 0 | 109.9 | ||||
| 121 | G | 74.8 | Confident | 80.9 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | trans | -125.1 | 144.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H119 L123 A124 G125 | H119-G121 PolarHBondContact O-N 3.27Å; G121-L123 VanDerWaalsContact C-N 3.26Å; G121-L123 PolarHBondContact O-N 3.09Å; G121-A124 WeakPolarHBondContact O-CB 3.45Å; G121-A124 PolarHBondContact O-N 3.44Å; G121-G125 PolarHBondContact O-N 2.84Å | ||
| 122 | K | 74.9 | Confident | 80.8 | Confident | 189 Ų | 189 | 74.6 Ų | 74.6 | 82% | 0.822 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -51.8 | -45.4 | 178.9 | -69.6 | -176.8 | 179.8 | 178.4 | 0 | 112 | A124 G125 Y126 | K122-A124 PolarHBondContact O-N 3.15Å; K122-G125 PolarHBondContact O-N 3.01Å; K122-Y126 WeakPolarHBondContact O-CD2 3.3Å; K122-Y126 PolarHBondContact O-N 3.37Å |
| 123 | L | 79.8 | Confident | 81.1 | Confident | 137 Ų | 137 | 78.3 Ų | 78.3 | 72% | 0.717 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 176.9 | -75.2 | 167 | 0 | 0 | 0 | 112.7 | G121 G125 Y126 I127 | G121-L123 VanDerWaalsContact C-N 3.26Å; G121-L123 PolarHBondContact O-N 3.09Å; L123-G125 VanDerWaalsContact C-N 3.27Å; L123-G125 PolarHBondContact O-N 2.87Å; L123-Y126 PolarHBondContact O-N 3.36Å; L123-I127 WeakPolarHBondContact O-CB 3.5Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 3.5Å |
| 124 | A | 79.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 79.8 Ų | 79.8 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G121 K122 I127 S128 | G121-A124 WeakPolarHBondContact O-CB 3.45Å; G121-A124 PolarHBondContact O-N 3.44Å; K122-A124 PolarHBondContact O-N 3.15Å; A124-I127 PolarHBondContact O-N 3.37Å; A124-S128 VanDerWaalsContact O-CB 3.26Å; A124-S128 WeakPolarHBondContact O-CB 3.47Å; A124-S128 PolarHBondContact O-N 2.89Å |
| 125 | G | 79 | Confident | 81.9 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H116 G121 K122 L123 S128 S129 | H116-G125 WeakPolarHBondContact CD2-CA 3.27Å; H116-G125 PolarHBondContact CD2-N 2.8Å; H116-G125 VanDerWaalsContact NE2-CA 3.35Å; H116-G125 WeakPolarHBondContact NE2-CA 3.27Å; G121-G125 PolarHBondContact O-N 2.84Å; K122-G125 PolarHBondContact O-N 3.01Å; L123-G125 VanDerWaalsContact C-N 3.27Å; L123-G125 PolarHBondContact O-N 2.87Å; G125-S128 PolarHBondContact O-N 2.74Å; G125-S129 WeakPolarHBondContact O-CB 3.49Å; G125-S129 PolarHBondContact O-N 3.41Å |
| 126 | Y | 81.7 | Confident | 82.3 | Confident | 167 Ų | 167 | 77 Ų | 77 | 66% | 0.655 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.6 | -47 | 175.3 | -74.3 | -68.6 | 0 | 0 | 0 | 111.9 | K122 L123 S128 S129 L130 | K122-Y126 WeakPolarHBondContact O-CD2 3.3Å; K122-Y126 PolarHBondContact O-N 3.37Å; L123-Y126 PolarHBondContact O-N 3.36Å; Y126-S128 PolarHBondContact O-N 3.41Å; Y126-S129 PolarHBondContact O-N 2.91Å; Y126-L130 WeakPolarHBondContact O-CB 3.41Å; Y126-L130 VanDerWaalsContact O-CG 3.3Å; Y126-L130 WeakPolarHBondContact O-CG 3.48Å; Y126-L130 PolarHBondContact O-N 3.32Å |
| 127 | I | 85.4 | Confident | 83 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 179 | -68 | 167.2 | 0 | 0 | 0 | 110.6 | L123 A124 S129 L130 L131 | L123-I127 WeakPolarHBondContact O-CB 3.5Å; L123-I127 VanDerWaalsContact O-CG1 3.26Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 3.5Å; A124-I127 PolarHBondContact O-N 3.37Å; I127-S129 VanDerWaalsContact C-N 3.33Å; I127-S129 PolarHBondContact O-N 2.93Å; I127-L130 PolarHBondContact O-N 2.93Å; I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CB 3.1Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.23Å; I127-L131 PolarHBondContact O-N 3.05Å |
| 128 | S | 84.8 | Confident | 83.9 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 8% | 0.077 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | A124 G125 Y126 L131 T132 | A124-S128 VanDerWaalsContact O-CB 3.26Å; A124-S128 WeakPolarHBondContact O-CB 3.47Å; A124-S128 PolarHBondContact O-N 2.89Å; G125-S128 PolarHBondContact O-N 2.74Å; Y126-S128 PolarHBondContact O-N 3.41Å; S128-L131 PolarHBondContact O-N 3.23Å; S128-T132 WeakPolarHBondContact O-CB 3.46Å; S128-T132 PolarHBondContact O-N 2.88Å; S128-T132 PolarHBondContact O-OG1 3.45Å |
| 129 | S | 83.2 | Confident | 84.7 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.7 | -171 | 0 | 0 | 0 | 0 | 111.8 | G125 Y126 I127 T132 L133 | G125-S129 WeakPolarHBondContact O-CB 3.49Å; G125-S129 PolarHBondContact O-N 3.41Å; Y126-S129 PolarHBondContact O-N 2.91Å; I127-S129 VanDerWaalsContact C-N 3.33Å; I127-S129 PolarHBondContact O-N 2.93Å; S129-T132 PolarHBondContact O-N 3.16Å; S129-L133 WeakPolarHBondContact O-CB 3.35Å; S129-L133 PolarHBondContact O-N 3.19Å |
| 130 | L | 89.9 | Confident | 85.6 | Confident | 118 Ų | 118 | 65 Ų | 65 | 62% | 0.618 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 177 | -72.2 | 173.6 | 0 | 0 | 0 | 111.7 | Y126 I127 L133 A134 | Y126-L130 WeakPolarHBondContact O-CB 3.41Å; Y126-L130 VanDerWaalsContact O-CG 3.3Å; Y126-L130 WeakPolarHBondContact O-CG 3.48Å; Y126-L130 PolarHBondContact O-N 3.32Å; I127-L130 PolarHBondContact O-N 2.93Å; L130-L133 PolarHBondContact O-N 3.29Å; L130-A134 WeakPolarHBondContact O-CB 3.45Å; L130-A134 PolarHBondContact O-N 2.9Å |
| 131 | L | 89.8 | Confident | 86.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.8 | -73.6 | 168.9 | 0 | 0 | 0 | 111.7 | A108 A109 I127 S128 L133 A134 G135 | A108-L131 HydrophobicContact CB-CD2 4.25Å; A109-L131 HydrophobicContact CB-CB 4.21Å; I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CB 3.1Å; I127-L131 VanDerWaalsContact O-CG 3.27Å; I127-L131 WeakPolarHBondContact O-CG 3.23Å; I127-L131 PolarHBondContact O-N 3.05Å; S128-L131 PolarHBondContact O-N 3.23Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-A134 PolarHBondContact O-N 2.92Å; L131-G135 PolarHBondContact O-N 3.14Å |
| 132 | T | 88.5 | Confident | 87.5 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.2 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | S128 S129 G135 F136 L225 | S128-T132 WeakPolarHBondContact O-CB 3.46Å; S128-T132 PolarHBondContact O-N 2.88Å; S128-T132 PolarHBondContact O-OG1 3.45Å; S129-T132 PolarHBondContact O-N 3.16Å; T132-G135 PolarHBondContact O-N 3.49Å; T132-F136 PolarHBondContact O-N 2.87Å; T132-L225 HydrophobicContact CG2-CD2 3.8Å; T132-L225 HydrophobicContact CG2-CG 3.69Å |
| 133 | L | 91 | Very high | 88.3 | Confident | 93 Ų | 93 | 52 Ų | 52 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.7 | -173.1 | 65.8 | 0 | 0 | 0 | 111.8 | S129 L130 L131 G135 F136 A137 | S129-L133 WeakPolarHBondContact O-CB 3.35Å; S129-L133 PolarHBondContact O-N 3.19Å; L130-L133 PolarHBondContact O-N 3.29Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-F136 PolarHBondContact O-N 3.43Å; L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.35Å |
| 134 | A | 93.1 | Very high | 88.8 | Confident | 40 Ų | 40 | 50 Ų | 50 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | V105 L130 L131 A137 T138 | V105-A134 HydrophobicContact CG1-CB 3.99Å; L130-A134 WeakPolarHBondContact O-CB 3.45Å; L130-A134 PolarHBondContact O-N 2.9Å; L131-A134 PolarHBondContact O-N 2.92Å; A134-A137 PolarHBondContact O-N 3.3Å; A134-T138 WeakPolarHBondContact O-CB 3.36Å; A134-T138 VanDerWaalsContact O-CG2 3.27Å; A134-T138 WeakPolarHBondContact O-CG2 3.42Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 3.05Å |
| 135 | G | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 T132 L133 T138 A139 | L131-G135 PolarHBondContact O-N 3.14Å; T132-G135 PolarHBondContact O-N 3.49Å; L133-G135 VanDerWaalsContact C-N 3.33Å; G135-T138 WeakPolarHBondContact CA-OG1 3.44Å; G135-T138 PolarHBondContact O-OG1 2.8Å; G135-T138 VanDerWaalsContact O-OG1 3.05Å; G135-A139 VanDerWaalsContact O-CB 3.23Å; G135-A139 WeakPolarHBondContact O-CB 3.28Å; G135-A139 PolarHBondContact O-N 3.43Å |
| 136 | F | 91 | Very high | 89.6 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 175 | 173.5 | -97.8 | 0 | 0 | 0 | 112.2 | T132 L133 T138 A139 M140 V218 L222 L225 | T132-F136 PolarHBondContact O-N 2.87Å; L133-F136 PolarHBondContact O-N 3.43Å; F136-T138 VanDerWaalsContact C-N 3.33Å; F136-T138 PolarHBondContact O-N 3.29Å; F136-A139 PolarHBondContact O-N 2.8Å; F136-M140 HydrophobicContact CD2-CG 4.48Å; F136-M140 HydrophobicContact CE1-CG 4.09Å; F136-M140 HydrophobicContact CE2-CG 4.05Å; F136-M140 HydrophobicContact CZ-CG 3.83Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 2.94Å; F136-V218 HydrophobicContact CD2-CG1 4.22Å; F136-V218 HydrophobicContact CE2-CG1 3.81Å; F136-L222 HydrophobicContact CD2-CD2 4.11Å; F136-L222 HydrophobicContact CD2-CG 4.12Å; F136-L222 HydrophobicContact CE2-CD1 4.27Å; F136-L222 HydrophobicContact CE2-CD2 3.65Å; F136-L222 HydrophobicContact CE2-CG 3.82Å; F136-L222 HydrophobicContact CZ-CD2 4.34Å; F136-L225 HydrophobicContact CB-CD1 4.44Å |
| 137 | A | 93.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L133 A134 M140 A141 | L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.35Å; A134-A137 PolarHBondContact O-N 3.3Å; A137-M140 PolarHBondContact O-N 2.94Å; A137-A141 WeakPolarHBondContact O-CB 3.33Å; A137-A141 PolarHBondContact O-N 3.49Å |
| 138 | T | 92.2 | Very high | 89.9 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | W101 V105 A134 G135 F136 M140 A141 A142 | W101-T138 HydrophobicContact CE3-CG2 3.81Å; W101-T138 HydrophobicContact CZ3-CG2 3.86Å; W101-T138 VanDerWaalsContact CZ3-O 3.28Å; W101-T138 WeakPolarHBondContact CZ3-O 3.38Å; V105-T138 HydrophobicContact CB-CG2 4.44Å; V105-T138 HydrophobicContact CG1-CG2 4.31Å; V105-T138 HydrophobicContact CG2-CG2 4.26Å; A134-T138 WeakPolarHBondContact O-CB 3.36Å; A134-T138 VanDerWaalsContact O-CG2 3.27Å; A134-T138 WeakPolarHBondContact O-CG2 3.42Å; A134-T138 PolarHBondContact O-N 3.49Å; A134-T138 PolarHBondContact O-OG1 3.05Å; G135-T138 WeakPolarHBondContact CA-OG1 3.44Å; G135-T138 PolarHBondContact O-OG1 2.8Å; G135-T138 VanDerWaalsContact O-OG1 3.05Å; F136-T138 VanDerWaalsContact C-N 3.33Å; F136-T138 PolarHBondContact O-N 3.29Å; T138-M140 VanDerWaalsContact C-N 3.35Å; T138-A141 PolarHBondContact O-N 3.27Å; T138-A142 WeakPolarHBondContact O-CB 3.47Å; T138-A142 PolarHBondContact O-N 2.88Å |
| 139 | A | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G135 F136 A142 V143 K217 V218 | G135-A139 VanDerWaalsContact O-CB 3.23Å; G135-A139 WeakPolarHBondContact O-CB 3.28Å; G135-A139 PolarHBondContact O-N 3.43Å; F136-A139 PolarHBondContact O-N 2.8Å; A139-A142 PolarHBondContact O-N 2.85Å; A139-V143 WeakPolarHBondContact O-CG2 3.35Å; A139-V143 PolarHBondContact O-N 3.4Å; A139-K217 HydrophobicContact CB-CB 3.84Å; A139-V218 HydrophobicContact CB-CG2 3.73Å |
| 140 | M | 92 | Very high | 89.6 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.5 | -77.1 | -55.6 | -52.9 | 0 | 0 | 112.4 | F136 A137 T138 A142 V143 V144 V218 | F136-M140 HydrophobicContact CD2-CG 4.48Å; F136-M140 HydrophobicContact CE1-CG 4.09Å; F136-M140 HydrophobicContact CE2-CG 4.05Å; F136-M140 HydrophobicContact CZ-CG 3.83Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 2.94Å; A137-M140 PolarHBondContact O-N 2.94Å; T138-M140 VanDerWaalsContact C-N 3.35Å; M140-A142 VanDerWaalsContact C-N 3.3Å; M140-A142 PolarHBondContact O-N 3.39Å; M140-V143 PolarHBondContact O-N 3.45Å; M140-V144 WeakPolarHBondContact O-CG2 3.39Å; M140-V144 PolarHBondContact O-N 3.29Å; M140-V218 HydrophobicContact CG-CG2 4.13Å; M140-V218 HydrophobicContact SD-CB 4.34Å; M140-V218 HydrophobicContact SD-CG1 3.73Å; M140-V218 HydrophobicContact SD-CG2 3.58Å; M140-V218 VanDerWaalsContact SD-CG2 3.58Å |
| 141 | A | 93.4 | Very high | 89.1 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W101 A137 T138 V144 L145 | W101-A141 HydrophobicContact CH2-CB 3.65Å; W101-A141 HydrophobicContact CZ3-CB 4.1Å; A137-A141 WeakPolarHBondContact O-CB 3.33Å; A137-A141 PolarHBondContact O-N 3.49Å; T138-A141 PolarHBondContact O-N 3.27Å; A141-V144 PolarHBondContact O-N 3.25Å; A141-L145 WeakPolarHBondContact O-CG 3.49Å; A141-L145 PolarHBondContact O-N 3.36Å |
| 142 | A | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W101 A102 T138 A139 M140 L145 C146 | W101-A142 HydrophobicContact CH2-CB 4.45Å; A102-A142 HydrophobicContact CB-CB 3.9Å; T138-A142 WeakPolarHBondContact O-CB 3.47Å; T138-A142 PolarHBondContact O-N 2.88Å; A139-A142 PolarHBondContact O-N 2.85Å; M140-A142 VanDerWaalsContact C-N 3.3Å; M140-A142 PolarHBondContact O-N 3.39Å; A142-L145 PolarHBondContact O-N 2.74Å; A142-C146 WeakPolarHBondContact O-CB 3.34Å; A142-C146 PolarHBondContact O-N 3.25Å; A142-C146 PolarHBondContact O-SG 2.99Å |
| 143 | V | 92 | Very high | 86.9 | Confident | 23 Ų | 23 | 53 Ų | 53 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 173.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | A139 M140 L145 C146 V147 L211 C214 V215 V218 | A139-V143 WeakPolarHBondContact O-CG2 3.35Å; A139-V143 PolarHBondContact O-N 3.4Å; M140-V143 PolarHBondContact O-N 3.45Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.35Å; V143-C146 WeakPolarHBondContact O-CB 3.42Å; V143-C146 PolarHBondContact O-N 3.19Å; V143-V147 HydrophobicContact CG1-CG2 4.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.35Å; V143-V147 PolarHBondContact O-N 3.3Å; V143-L211 HydrophobicContact CG1-CD1 4.28Å; V143-C214 HydrophobicContact CG2-CB 3.67Å; V143-V215 HydrophobicContact CG2-CG2 4.39Å; V143-V218 HydrophobicContact CG2-CG2 4.29Å |
| 144 | V | 91.4 | Very high | 85.1 | Confident | 93 Ų | 93 | 54 Ų | 54 | 56% | 0.564 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.2 | -45.1 | 178.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | M140 A141 C146 V147 N148 | M140-V144 WeakPolarHBondContact O-CG2 3.39Å; M140-V144 PolarHBondContact O-N 3.29Å; A141-V144 PolarHBondContact O-N 3.25Å; V144-C146 PolarHBondContact O-N 2.94Å; V144-V147 PolarHBondContact O-N 2.86Å; V144-N148 VanDerWaalsContact O-CB 3.26Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.37Å |
| 145 | L | 88.2 | Confident | 83.2 | Confident | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.5 | -71.4 | 172.4 | 0 | 0 | 0 | 112.5 | C98 W101 A141 A142 V143 S149 | C98-L145 HydrophobicContact CB-CD1 3.82Å; W101-L145 HydrophobicContact CH2-CD1 4.24Å; W101-L145 HydrophobicContact CZ2-CD1 3.68Å; A141-L145 WeakPolarHBondContact O-CG 3.49Å; A141-L145 PolarHBondContact O-N 3.36Å; A142-L145 PolarHBondContact O-N 2.74Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.35Å; L145-S149 WeakPolarHBondContact O-CB 3.38Å; L145-S149 PolarHBondContact O-N 3.06Å |
| 146 | C | 87.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 175.6 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | A142 V143 V144 N148 S149 F150 F210 L211 | A142-C146 WeakPolarHBondContact O-CB 3.34Å; A142-C146 PolarHBondContact O-N 3.25Å; A142-C146 PolarHBondContact O-SG 2.99Å; V143-C146 WeakPolarHBondContact O-CB 3.42Å; V143-C146 PolarHBondContact O-N 3.19Å; V144-C146 PolarHBondContact O-N 2.94Å; C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact O-N 3.03Å; C146-S149 WeakPolarHBondContact O-CB 3.31Å; C146-S149 PolarHBondContact O-N 3.11Å; C146-S149 VanDerWaalsContact O-N 3.13Å; C146-F150 VanDerWaalsContact O-CD2 3.22Å; C146-F150 WeakPolarHBondContact O-CD2 3.43Å; C146-F150 PolarHBondContact O-N 2.98Å; C146-F210 WeakPolarHBondContact SG-CD1 3.29Å; C146-F210 WeakPolarHBondContact SG-CE1 3.45Å; C146-L211 HydrophobicContact CB-CB 4.33Å; C146-L211 HydrophobicContact CB-CD1 3.73Å |
| 147 | V | 88.5 | Confident | 79.5 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.5 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | V143 V144 S149 F150 I151 L211 | V143-V147 HydrophobicContact CG1-CG2 4.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.35Å; V143-V147 PolarHBondContact O-N 3.3Å; V144-V147 PolarHBondContact O-N 2.86Å; V147-S149 VanDerWaalsContact C-N 3.32Å; V147-S149 PolarHBondContact O-N 3.27Å; V147-F150 WeakPolarHBondContact O-CB 3.48Å; V147-F150 PolarHBondContact O-N 3.38Å; V147-F150 VanDerWaalsContact O-N 3.09Å; V147-I151 HydrophobicContact CG1-CD1 3.98Å; V147-I151 WeakPolarHBondContact O-CG1 3.28Å; V147-I151 PolarHBondContact O-N 3.4Å; V147-I151 VanDerWaalsContact O-N 3.09Å; V147-L211 HydrophobicContact CG2-CD1 4.2Å |
| 148 | N | 85.4 | Confident | 77.4 | Confident | 66 Ų | 66 | 68 Ų | 68 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.1 | -166.6 | 56.2 | 0 | 0 | 0 | 110.9 | V144 C146 F150 I151 W152 | V144-N148 VanDerWaalsContact O-CB 3.26Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.37Å; C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact O-N 3.03Å; N148-F150 PolarHBondContact O-N 2.95Å; N148-I151 PolarHBondContact O-N 3.49Å; N148-I151 VanDerWaalsContact O-N 3.09Å; N148-W152 VanDerWaalsContact ND2-CD1 3.33Å; N148-W152 PolarHBondContact ND2-NE1 2.92Å; N148-W152 PolarHBondContact O-N 3.37Å; N148-W152 PolarHBondContact OD1-NE1 3.19Å |
| 149 | S | 79.9 | Confident | 75.7 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -30 | 176 | -178.7 | 0 | 0 | 0 | 0 | 113.5 | L145 C146 V147 Q153 | L145-S149 WeakPolarHBondContact O-CB 3.38Å; L145-S149 PolarHBondContact O-N 3.06Å; C146-S149 WeakPolarHBondContact O-CB 3.31Å; C146-S149 PolarHBondContact O-N 3.11Å; C146-S149 VanDerWaalsContact O-N 3.13Å; V147-S149 VanDerWaalsContact C-N 3.32Å; V147-S149 PolarHBondContact O-N 3.27Å; S149-Q153 WeakPolarHBondContact O-CB 3.48Å; S149-Q153 VanDerWaalsContact O-CD 3.25Å; S149-Q153 WeakPolarHBondContact O-CG 3.45Å; S149-Q153 PolarHBondContact O-N 3.42Å; S149-Q153 PolarHBondContact O-NE2 2.88Å; S149-Q153 PolarHBondContact OG-NE2 3.35Å |
| 150 | F | 81.8 | Confident | 74.1 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.4 | -40.8 | 173.8 | -82.7 | -73.4 | 0 | 0 | 0 | 111.9 | C146 V147 N148 Q153 T204 R207 A208 L211 | C146-F150 VanDerWaalsContact O-CD2 3.22Å; C146-F150 WeakPolarHBondContact O-CD2 3.43Å; C146-F150 PolarHBondContact O-N 2.98Å; V147-F150 WeakPolarHBondContact O-CB 3.48Å; V147-F150 PolarHBondContact O-N 3.38Å; V147-F150 VanDerWaalsContact O-N 3.09Å; N148-F150 PolarHBondContact O-N 2.95Å; F150-Q153 PolarHBondContact O-N 3.34Å; F150-T204 HydrophobicContact CE1-CG2 4.48Å; F150-R207 HydrophobicContact CE1-CB 4.38Å; F150-R207 HydrophobicContact CE2-CB 4.21Å; F150-R207 HydrophobicContact CZ-CB 3.71Å; F150-A208 HydrophobicContact CZ-CB 4.27Å; F150-L211 HydrophobicContact CD2-CD2 4.36Å; F150-L211 HydrophobicContact CE2-CB 4.34Å; F150-L211 HydrophobicContact CE2-CD2 4.01Å |
| 151 | I | 79.5 | Confident | 72.5 | Confident | 109 Ų | 109 | 76 Ų | 76 | 56% | 0.559 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.6 | -48.3 | 179.7 | -64.5 | 165.9 | 0 | 0 | 0 | 110.8 | V147 N148 Q153 T154 | V147-I151 HydrophobicContact CG1-CD1 3.98Å; V147-I151 WeakPolarHBondContact O-CG1 3.28Å; V147-I151 PolarHBondContact O-N 3.4Å; V147-I151 VanDerWaalsContact O-N 3.09Å; N148-I151 PolarHBondContact O-N 3.49Å; N148-I151 VanDerWaalsContact O-N 3.09Å; I151-Q153 PolarHBondContact O-N 2.9Å; I151-T154 PolarHBondContact O-N 3.29Å; I151-T154 PolarHBondContact O-OG1 3.29Å |
| 152 | W | 69.6 | Low | 71.1 | Confident | 189 Ų | 189 | 77.7 Ų | 77.7 | 72% | 0.716 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.8 | -17.4 | -178.8 | -75.9 | 90.5 | 0 | 0 | 0 | 113.8 | N148 T154 | N148-W152 VanDerWaalsContact ND2-CD1 3.33Å; N148-W152 PolarHBondContact ND2-NE1 2.92Å; N148-W152 PolarHBondContact O-N 3.37Å; N148-W152 PolarHBondContact OD1-NE1 3.19Å; W152-T154 PolarHBondContact O-N 2.91Å |
| 153 | Q | 62.5 | Low | 70 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 21% | 0.21 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.4 | 177.6 | -85.7 | 173.3 | 33.4 | 0 | 0 | 114.9 | S149 F150 I151 E155 F157 R207 | S149-Q153 WeakPolarHBondContact O-CB 3.48Å; S149-Q153 VanDerWaalsContact O-CD 3.25Å; S149-Q153 WeakPolarHBondContact O-CG 3.45Å; S149-Q153 PolarHBondContact O-N 3.42Å; S149-Q153 PolarHBondContact O-NE2 2.88Å; S149-Q153 PolarHBondContact OG-NE2 3.35Å; F150-Q153 PolarHBondContact O-N 3.34Å; I151-Q153 PolarHBondContact O-N 2.9Å; Q153-E155 PolarHBondContact O-N 3.4Å; Q153-F157 HydrophobicContact CG-CE2 4.07Å; Q153-R207 VanDerWaalsContact NE2-NE 3.16Å |
| 154 | T | 53.4 | Low | 69.2 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.1 | 174.1 | -40.5 | 0 | 0 | 0 | 0 | 111.6 | I151 W152 | I151-T154 PolarHBondContact O-N 3.29Å; I151-T154 PolarHBondContact O-OG1 3.29Å; W152-T154 PolarHBondContact O-N 2.91Å |
| 155 | E | 51.4 | Low | 68 | Low | 145 Ų | 145 | 81.3 Ų | 81.3 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -79.6 | 123.8 | 169 | -69.7 | -60.2 | 152.4 | 0 | 0 | 110.1 | Q153 F157 | Q153-E155 PolarHBondContact O-N 3.4Å; E155-F157 PolarHBondContact O-N 2.88Å; E155-F157 VanDerWaalsContact O-N 3.11Å |
| 156 | P | 51.7 | Low | 66.7 | Low | 77 Ų | 77 | 87.3 Ų | 87.3 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | trans | -58 | 124.4 | -179.6 | 23.7 | -30.5 | 0 | 0 | 0 | 107.9 | L158 | P156-L158 PolarHBondContact O-N 3.4Š| ||
| 157 | F | 52 | Low | 65.3 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | trans | -57.8 | 83.4 | 161.1 | -91.6 | -92.4 | 0 | 0 | 0 | 107.8 | T91 Q153 E155 Y159 I160 | T91-F157 HydrophobicContact CG2-CE1 4.44Å; T91-F157 HydrophobicContact CG2-CE2 4.26Å; T91-F157 HydrophobicContact CG2-CZ 3.73Å; Q153-F157 HydrophobicContact CG-CE2 4.07Å; E155-F157 PolarHBondContact O-N 2.88Å; E155-F157 VanDerWaalsContact O-N 3.11Å; F157-Y159 PolarHBondContact O-N 3.39Å; F157-I160 HydrophobicContact CB-CD1 4.13Å; F157-I160 HydrophobicContact CB-CG1 4.38Å; F157-I160 PolarHBondContact O-N 2.97Å; F157-I160 VanDerWaalsContact O-N 3.09Å | ||
| 158 | L | 49.6 | Very low | 63.8 | Low | 133 Ų | 133 | 96.2 Ų | 96.2 | 70% | 0.696 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.6 | -23.3 | 178.6 | -87.8 | 146.8 | 0 | 0 | 0 | 111.2 | P156 I160 T162 | P156-L158 PolarHBondContact O-N 3.4Å; L158-I160 PolarHBondContact O-N 3.33Å; L158-T162 WeakPolarHBondContact O-CG2 3.44Å |
| 159 | Y | 56.3 | Low | 62.3 | Low | 176 Ų | 176 | 98.3 Ų | 98.3 | 69% | 0.69 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -35.2 | 178.6 | -160.7 | -105.8 | 0 | 0 | 0 | 113.4 | F157 D161 T162 V163 | F157-Y159 PolarHBondContact O-N 3.39Å; Y159-D161 PolarHBondContact O-N 2.96Å; Y159-T162 WeakPolarHBondContact CA-OG1 3.33Å; Y159-T162 PolarHBondContact O-N 3.15Å; Y159-T162 PolarHBondContact O-OG1 3.26Å; Y159-V163 HydrophobicContact CD1-CG2 4.16Å; Y159-V163 HydrophobicContact CE1-CG2 4.03Å; Y159-V163 WeakPolarHBondContact O-CG2 3.47Å; Y159-V163 PolarHBondContact O-N 2.91Å |
| 160 | I | 58.2 | Low | 61.3 | Low | 19 Ų | 19 | 103.9 Ų | 103.9 | 10% | 0.097 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | -173.4 | -73.4 | 172.9 | 0 | 0 | 0 | 111.9 | F157 L158 T162 V163 M196 | F157-I160 HydrophobicContact CB-CD1 4.13Å; F157-I160 HydrophobicContact CB-CG1 4.38Å; F157-I160 PolarHBondContact O-N 2.97Å; F157-I160 VanDerWaalsContact O-N 3.09Å; L158-I160 PolarHBondContact O-N 3.33Å; I160-T162 VanDerWaalsContact C-N 3.31Å; I160-V163 PolarHBondContact O-N 3.38Å; I160-M196 HydrophobicContact CB-CE 4.26Å; I160-M196 HydrophobicContact CG1-CE 4.18Å; I160-M196 HydrophobicContact CG2-CB 3.8Å; I160-M196 HydrophobicContact CG2-CE 3.67Å; I160-M196 HydrophobicContact CG2-CG 4.37Å |
| 161 | D | 58.9 | Low | 60.1 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -30.8 | 178.8 | -70.3 | -32.7 | 0 | 0 | 0 | 111.2 | Y159 V163 C164 R200 | Y159-D161 PolarHBondContact O-N 2.96Å; D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.44Å; D161-C164 PolarHBondContact O-N 3.3Å; D161-R200 IonicContact OD1-NH2 2.8Å |
| 162 | T | 64.4 | Low | 58.8 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71 | -23.3 | 178.4 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | L158 Y159 I160 C164 D165 | L158-T162 WeakPolarHBondContact O-CG2 3.44Å; Y159-T162 WeakPolarHBondContact CA-OG1 3.33Å; Y159-T162 PolarHBondContact O-N 3.15Å; Y159-T162 PolarHBondContact O-OG1 3.26Å; I160-T162 VanDerWaalsContact C-N 3.31Å; T162-C164 VanDerWaalsContact C-N 3.26Å; T162-C164 PolarHBondContact O-N 2.93Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 VanDerWaalsContact O-N 3.15Å |
| 163 | V | 69.2 | Low | 58 | Low | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -32.6 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | Y159 I160 D161 D165 | Y159-V163 HydrophobicContact CD1-CG2 4.16Å; Y159-V163 HydrophobicContact CE1-CG2 4.03Å; Y159-V163 WeakPolarHBondContact O-CG2 3.47Å; Y159-V163 PolarHBondContact O-N 2.91Å; I160-V163 PolarHBondContact O-N 3.38Å; D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.44Å; V163-D165 VanDerWaalsContact C-N 3.33Å |
| 164 | C | 73.6 | Confident | 57.8 | Low | 19 Ų | 19 | 108 Ų | 108 | 13% | 0.128 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.3 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | D161 T162 R166 C192 | D161-C164 PolarHBondContact O-N 3.3Å; T162-C164 VanDerWaalsContact C-N 3.26Å; T162-C164 PolarHBondContact O-N 2.93Å; C164-R166 PolarHBondContact O-N 3.34Å; C164-C192 VanDerWaalsContact CA-SG 3.57Å; C164-C192 HydrophobicContact CB-CB 3.83Å; C164-C192 WeakPolarHBondContact CB-SG 3.4Å; C164-C192 WeakPolarHBondContact SG-CB 3.4Å; C164-C192 CovalentContact SG-SG 2.05Å; C164-C192 PolarHBondContact SG-SG 3.41Å |
| 165 | D | 67.4 | Low | 58.2 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -86.9 | 101.1 | 175.5 | -84 | -35.8 | 0 | 0 | 0 | 110.8 | T162 V163 S167 K189 | T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 VanDerWaalsContact O-N 3.15Å; V163-D165 VanDerWaalsContact C-N 3.33Å; D165-S167 PolarHBondContact O-N 3Å; D165-K189 IonicContact OD1-NZ 3.61Å; D165-K189 PolarHBondContact OD1-NZ 2.87Å |
| 166 | R | 59.7 | Low | 58.4 | Low | 187 Ų | 187 | 108 Ų | 108 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.5 | 169.8 | -166.2 | 174.4 | -169.4 | 145 | 4.5 | 109.3 | C164 D168 | C164-R166 PolarHBondContact O-N 3.34Å; R166-D168 PolarHBondContact O-N 2.84Å |
| 167 | S | 59.2 | Low | 58.7 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 127.4 | 171.3 | -49.5 | 0 | 0 | 0 | 0 | 109.9 | D165 | D165-S167 PolarHBondContact O-N 3Š|
| 168 | D | 55.8 | Low | 59 | Low | 146 Ų | 146 | 115 Ų | 115 | 78% | 0.781 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128 | 179.6 | -76.5 | -45 | 0 | 0 | 0 | 110.4 | R166 V170 | R166-D168 PolarHBondContact O-N 2.84Å; D168-V170 PolarHBondContact O-N 3.33Å |
| 169 | P | 55.2 | Low | 59.4 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 71% | 0.714 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.8 | 173.7 | 26.1 | -30.2 | 0 | 0 | 0 | 109.8 | F171 | P169-F171 PolarHBondContact O-N 3.44Š|
| 170 | V | 58.4 | Low | 59.6 | Low | 125 Ų | 125 | 115.4 Ų | 115.4 | 76% | 0.758 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -61.6 | -2.2 | -173.1 | 175.9 | 0 | 0 | 0 | 0 | 114.9 | D168 | D168-V170 PolarHBondContact O-N 3.33Š|
| 171 | F | 56 | Low | 59.6 | Low | 163 Ų | 163 | 120.4 Ų | 120.4 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | trans | -127.6 | 117 | -173.6 | -63.2 | -76.4 | 0 | 0 | 0 | 113.5 | P169 T173 | P169-F171 PolarHBondContact O-N 3.44Å; F171-T173 PolarHBondContact O-N 3.39Å | ||
| 172 | P | 53.3 | Low | 59.7 | Low | 132 Ų | 132 | 119 Ų | 119 | 86% | 0.857 | 60% | 0.604 | S | S | * | * | trans | -85.4 | 79.6 | 178.8 | 34.7 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 173 | T | 52.6 | Low | 59.5 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | trans | -102.5 | 113.1 | 170.7 | 28 | 0 | 0 | 0 | 0 | 110.4 | F171 | F171-T173 PolarHBondContact O-N 3.39Š| ||
| 174 | T | 57.4 | Low | 59.2 | Low | 85 Ų | 85 | 124.2 Ų | 124.2 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | trans | 78.5 | 96.2 | 170 | 62.5 | 0 | 0 | 0 | 0 | 118.3 | Y176 R177 W178 | T174-Y176 PolarHBondContact O-N 3.34Å; T174-R177 PolarHBondContact O-N 3.34Å; T174-R177 VanDerWaalsContact O-N 3.13Å; T174-R177 WeakPolarHBondContact OG1-CB 3.49Å; T174-W178 PolarHBondContact O-N 3.11Å; T174-W178 VanDerWaalsContact O-N 3.17Å | ||
| 175 | G | 61.1 | Low | 58.8 | Low | 43 Ų | 43 | 125.5 Ų | 125.5 | 44% | 0.443 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -26.2 | -64.5 | 165 | 0 | 0 | 0 | 0 | 0 | 115.9 | R177 W178 M179 | G175-R177 VanDerWaalsContact C-N 3.33Å; G175-R177 PolarHBondContact O-N 3.44Å; G175-W178 VanDerWaalsContact O-CZ3 3.22Å; G175-W178 WeakPolarHBondContact O-CZ3 3.22Å; G175-W178 PolarHBondContact O-N 2.97Å; G175-M179 PolarHBondContact O-N 3Å |
| 176 | Y | 55.7 | Low | 59 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 85% | 0.851 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70 | -28.8 | -171.7 | -114.8 | -94.2 | 0 | 0 | 0 | 114.5 | T174 | T174-Y176 PolarHBondContact O-N 3.34Å |
| 177 | R | 58.9 | Low | 59.6 | Low | 160 Ų | 160 | 126 Ų | 126 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.2 | -30.4 | -179.6 | -165.3 | -179 | -78.4 | -168.4 | -4.7 | 111.4 | T174 G175 R181 | T174-R177 PolarHBondContact O-N 3.34Å; T174-R177 VanDerWaalsContact O-N 3.13Å; T174-R177 WeakPolarHBondContact OG1-CB 3.49Å; G175-R177 VanDerWaalsContact C-N 3.33Å; G175-R177 PolarHBondContact O-N 3.44Å; R177-R181 WeakPolarHBondContact O-CB 3.48Å; R177-R181 PolarHBondContact O-N 3.3Å |
| 178 | W | 58 | Low | 60.4 | Low | 156 Ų | 156 | 126 Ų | 126 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 173.7 | 126.4 | 73.9 | 0 | 0 | 0 | 111.1 | T174 G175 R181 S182 | T174-W178 PolarHBondContact O-N 3.11Å; T174-W178 VanDerWaalsContact O-N 3.17Å; G175-W178 VanDerWaalsContact O-CZ3 3.22Å; G175-W178 WeakPolarHBondContact O-CZ3 3.22Å; G175-W178 PolarHBondContact O-N 2.97Å; W178-R181 PolarHBondContact O-N 3.37Å; W178-S182 WeakPolarHBondContact O-CA 3.31Å; W178-S182 WeakPolarHBondContact O-CB 3.28Å; W178-S182 PolarHBondContact O-N 3.37Å |
| 179 | M | 59.2 | Low | 61.4 | Low | 118 Ų | 118 | 122.4 Ų | 122.4 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -48.1 | -175 | -162.5 | 77.2 | -170.2 | 0 | 0 | 112.9 | G175 R181 S182 Q183 | G175-M179 PolarHBondContact O-N 3Å; M179-R181 PolarHBondContact O-N 2.86Å; M179-S182 WeakPolarHBondContact O-CB 3.39Å; M179-S182 PolarHBondContact O-N 3.36Å; M179-Q183 PolarHBondContact O-N 2.96Å; M179-Q183 VanDerWaalsContact O-N 3.09Å |
| 180 | R | 59.3 | Low | 62.6 | Low | 200 Ų | 200 | 122.8 Ų | 122.8 | 76% | 0.755 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 177.4 | -173.4 | -179.9 | -70.9 | 172.9 | -2.5 | 111.7 | S182 Q183 E184 | R180-S182 VanDerWaalsContact C-N 3.3Å; R180-S182 PolarHBondContact O-N 2.89Å; R180-Q183 PolarHBondContact O-N 3.4Å; R180-E184 PolarHBondContact O-N 3Å |
| 181 | R | 58.4 | Low | 63.8 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 47% | 0.468 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -32.6 | 175.5 | -168.6 | 176.9 | -67.9 | 127.7 | -6.3 | 111.7 | R177 W178 M179 N185 | R177-R181 WeakPolarHBondContact O-CB 3.48Å; R177-R181 PolarHBondContact O-N 3.3Å; W178-R181 PolarHBondContact O-N 3.37Å; M179-R181 PolarHBondContact O-N 2.86Å; R181-N185 WeakPolarHBondContact O-CB 3.44Å; R181-N185 PolarHBondContact O-N 3.35Å; R181-N185 PolarHBondContact O-ND2 3.35Å; R181-N185 PolarHBondContact O-OD1 3.17Å |
| 182 | S | 60.2 | Low | 65.2 | Low | 42 Ų | 42 | 114.4 Ų | 114.4 | 29% | 0.294 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.4 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | W178 M179 R180 Q186 | W178-S182 WeakPolarHBondContact O-CA 3.31Å; W178-S182 WeakPolarHBondContact O-CB 3.28Å; W178-S182 PolarHBondContact O-N 3.37Å; M179-S182 WeakPolarHBondContact O-CB 3.39Å; M179-S182 PolarHBondContact O-N 3.36Å; R180-S182 VanDerWaalsContact C-N 3.3Å; R180-S182 PolarHBondContact O-N 2.89Å; S182-Q186 WeakPolarHBondContact O-CB 3.4Å; S182-Q186 WeakPolarHBondContact O-CG 3.34Å; S182-Q186 PolarHBondContact O-N 2.74Å |
| 183 | Q | 60.4 | Low | 66.6 | Low | 147 Ų | 147 | 114 Ų | 114 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.9 | -42.8 | 177 | -166.6 | 178.4 | -3 | 0 | 0 | 112 | M179 R180 N185 Q186 W187 | M179-Q183 PolarHBondContact O-N 2.96Å; M179-Q183 VanDerWaalsContact O-N 3.09Å; R180-Q183 PolarHBondContact O-N 3.4Å; Q183-N185 VanDerWaalsContact C-N 3.35Å; Q183-Q186 PolarHBondContact O-N 3.04Å; Q183-W187 PolarHBondContact O-N 2.95Å |
| 184 | E | 62.5 | Low | 68.2 | Low | 126 Ų | 126 | 110.9 Ų | 110.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -38.2 | 174.1 | -168.9 | 173.2 | -174.7 | 0 | 0 | 111.9 | R180 Q188 | R180-E184 PolarHBondContact O-N 3Å; E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.44Å |
| 185 | N | 66.2 | Low | 69.5 | Low | 46 Ų | 46 | 113.4 Ų | 113.4 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 174.4 | -72.5 | -13.6 | 0 | 0 | 0 | 112.3 | R181 Q183 Q188 K189 | R181-N185 WeakPolarHBondContact O-CB 3.44Å; R181-N185 PolarHBondContact O-N 3.35Å; R181-N185 PolarHBondContact O-ND2 3.35Å; R181-N185 PolarHBondContact O-OD1 3.17Å; Q183-N185 VanDerWaalsContact C-N 3.35Å; N185-Q188 PolarHBondContact O-N 3.46Å; N185-K189 WeakPolarHBondContact O-CB 3.43Å; N185-K189 VanDerWaalsContact O-CG 3.29Å; N185-K189 WeakPolarHBondContact O-CG 3.46Å; N185-K189 PolarHBondContact O-N 2.89Å |
| 186 | Q | 71.3 | Confident | 70.4 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 177.5 | -87.5 | -169.7 | -18.5 | 0 | 0 | 111.5 | S182 Q183 Q188 K189 E190 | S182-Q186 WeakPolarHBondContact O-CB 3.4Å; S182-Q186 WeakPolarHBondContact O-CG 3.34Å; S182-Q186 PolarHBondContact O-N 2.74Å; Q183-Q186 PolarHBondContact O-N 3.04Å; Q186-Q188 VanDerWaalsContact C-N 3.32Å; Q186-Q188 PolarHBondContact O-N 2.86Å; Q186-K189 WeakPolarHBondContact O-CB 3.35Å; Q186-K189 PolarHBondContact O-N 3.41Å; Q186-K189 VanDerWaalsContact O-N 3.13Å; Q186-E190 WeakPolarHBondContact O-CG 3.36Å; Q186-E190 PolarHBondContact O-N 3.05Å |
| 187 | W | 72.7 | Confident | 71.8 | Confident | 172 Ų | 172 | 108.2 Ų | 108.2 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57 | -45.7 | 173.2 | 175.4 | -99.2 | 0 | 0 | 0 | 111.5 | Q183 K189 E190 E191 | Q183-W187 PolarHBondContact O-N 2.95Å; W187-K189 VanDerWaalsContact C-N 3.33Å; W187-K189 PolarHBondContact O-N 3.22Å; W187-E190 PolarHBondContact O-N 3.13Å; W187-E191 VanDerWaalsContact O-CB 3.29Å; W187-E191 WeakPolarHBondContact O-CB 3.44Å; W187-E191 PolarHBondContact O-N 3.48Å |
| 188 | Q | 76.6 | Confident | 73.1 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 176.4 | -71.7 | -177.9 | -17.5 | 0 | 0 | 113.3 | E184 N185 Q186 C192 | E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.44Å; N185-Q188 PolarHBondContact O-N 3.46Å; Q186-Q188 VanDerWaalsContact C-N 3.32Å; Q186-Q188 PolarHBondContact O-N 2.86Å; Q188-C192 WeakPolarHBondContact O-CB 3.15Å; Q188-C192 PolarHBondContact O-N 3.44Å |
| 189 | K | 76.1 | Confident | 74.4 | Confident | 71 Ų | 71 | 103.6 Ų | 103.6 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 176.3 | -78.7 | -174.4 | 176.1 | -154.3 | 0 | 112 | D165 N185 Q186 W187 C192 R193 | D165-K189 IonicContact OD1-NZ 3.61Å; D165-K189 PolarHBondContact OD1-NZ 2.87Å; N185-K189 WeakPolarHBondContact O-CB 3.43Å; N185-K189 VanDerWaalsContact O-CG 3.29Å; N185-K189 WeakPolarHBondContact O-CG 3.46Å; N185-K189 PolarHBondContact O-N 2.89Å; Q186-K189 WeakPolarHBondContact O-CB 3.35Å; Q186-K189 PolarHBondContact O-N 3.41Å; Q186-K189 VanDerWaalsContact O-N 3.13Å; W187-K189 VanDerWaalsContact C-N 3.33Å; W187-K189 PolarHBondContact O-N 3.22Å; K189-C192 PolarHBondContact O-N 2.85Å; K189-R193 WeakPolarHBondContact O-CB 3.48Å; K189-R193 PolarHBondContact O-N 3.25Å |
| 190 | E | 80.9 | Confident | 75.4 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.7 | -72.8 | 177.9 | -177.5 | 0 | 0 | 111.1 | Q186 W187 R193 A194 | Q186-E190 WeakPolarHBondContact O-CG 3.36Å; Q186-E190 PolarHBondContact O-N 3.05Å; W187-E190 PolarHBondContact O-N 3.13Å; E190-R193 WeakPolarHBondContact O-CB 3.3Å; E190-R193 PolarHBondContact O-N 2.98Å; E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 2.9Å |
| 191 | E | 83.8 | Confident | 76.7 | Confident | 70 Ų | 70 | 100.3 Ų | 100.3 | 33% | 0.327 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.6 | -170.6 | 68.5 | -170 | 0 | 0 | 111.3 | W187 R193 A194 Y195 | W187-E191 VanDerWaalsContact O-CB 3.29Å; W187-E191 WeakPolarHBondContact O-CB 3.44Å; W187-E191 PolarHBondContact O-N 3.48Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.03Å; E191-A194 WeakPolarHBondContact O-CB 3.36Å; E191-A194 PolarHBondContact O-N 2.89Å; E191-Y195 HydrophobicContact CG-CD2 3.99Å; E191-Y195 HydrophobicContact CG-CE2 3.5Å; E191-Y195 WeakPolarHBondContact O-CD2 3.42Å; E191-Y195 PolarHBondContact O-N 3.18Å; E191-Y195 WeakPolarHBondContact OE1-CE2 3.38Å; E191-Y195 VanDerWaalsContact OE1-CZ 3.27Å; E191-Y195 PolarHBondContact OE1-OH 2.95Å |
| 192 | C | 84.4 | Confident | 78.1 | Confident | 42 Ų | 42 | 98.9 Ų | 98.9 | 28% | 0.284 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 173 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | C164 Q188 K189 A194 Y195 M196 | C164-C192 VanDerWaalsContact CA-SG 3.57Å; C164-C192 HydrophobicContact CB-CB 3.83Å; C164-C192 WeakPolarHBondContact CB-SG 3.4Å; C164-C192 WeakPolarHBondContact SG-CB 3.4Å; C164-C192 CovalentContact SG-SG 2.05Å; C164-C192 PolarHBondContact SG-SG 3.41Å; Q188-C192 WeakPolarHBondContact O-CB 3.15Å; Q188-C192 PolarHBondContact O-N 3.44Å; K189-C192 PolarHBondContact O-N 2.85Å; C192-A194 VanDerWaalsContact C-N 3.33Å; C192-A194 PolarHBondContact O-N 3.2Å; C192-Y195 PolarHBondContact O-N 2.91Å; C192-M196 WeakPolarHBondContact O-CB 3.39Å; C192-M196 VanDerWaalsContact O-CG 3.29Å; C192-M196 WeakPolarHBondContact O-CG 3.33Å; C192-M196 PolarHBondContact O-N 3.48Å |
| 193 | R | 82.1 | Confident | 79.3 | Confident | 125 Ų | 125 | 98 Ų | 98 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.9 | -175.1 | -178.9 | -70.7 | 173.4 | -1.8 | 111.1 | K189 E190 E191 M196 Q197 | K189-R193 WeakPolarHBondContact O-CB 3.48Å; K189-R193 PolarHBondContact O-N 3.25Å; E190-R193 WeakPolarHBondContact O-CB 3.3Å; E190-R193 PolarHBondContact O-N 2.98Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.03Å; R193-M196 PolarHBondContact O-N 3.48Å; R193-Q197 HydrophobicContact CG-CG 4.49Å; R193-Q197 WeakPolarHBondContact O-CB 3.22Å; R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 3.41Å |
| 194 | A | 86.1 | Confident | 80.4 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E190 E191 C192 Q197 M198 | E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 2.9Å; E191-A194 WeakPolarHBondContact O-CB 3.36Å; E191-A194 PolarHBondContact O-N 2.89Å; C192-A194 VanDerWaalsContact C-N 3.33Å; C192-A194 PolarHBondContact O-N 3.2Å; A194-Q197 PolarHBondContact O-N 2.98Å; A194-M198 PolarHBondContact O-N 3.35Å |
| 195 | Y | 84.9 | Confident | 81.8 | Confident | 138 Ų | 138 | 90 Ų | 90 | 54% | 0.541 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.4 | -75.8 | -61.8 | 0 | 0 | 0 | 112.6 | E191 C192 Q197 M198 L199 | E191-Y195 HydrophobicContact CG-CD2 3.99Å; E191-Y195 HydrophobicContact CG-CE2 3.5Å; E191-Y195 WeakPolarHBondContact O-CD2 3.42Å; E191-Y195 PolarHBondContact O-N 3.18Å; E191-Y195 WeakPolarHBondContact OE1-CE2 3.38Å; E191-Y195 VanDerWaalsContact OE1-CZ 3.27Å; E191-Y195 PolarHBondContact OE1-OH 2.95Å; C192-Y195 PolarHBondContact O-N 2.91Å; Y195-Q197 VanDerWaalsContact C-N 3.32Å; Y195-Q197 PolarHBondContact O-N 3.46Å; Y195-M198 WeakPolarHBondContact O-CB 3.1Å; Y195-M198 PolarHBondContact O-N 3.46Å; Y195-L199 WeakPolarHBondContact O-CG 3.14Å; Y195-L199 PolarHBondContact O-N 3.17Å |
| 196 | M | 81.7 | Confident | 82.9 | Confident | 46 Ų | 46 | 88.8 Ų | 88.8 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 179.4 | -69.8 | -59.3 | -81.2 | 0 | 0 | 112.2 | I160 C192 R193 L199 R200 | I160-M196 HydrophobicContact CB-CE 4.26Å; I160-M196 HydrophobicContact CG1-CE 4.18Å; I160-M196 HydrophobicContact CG2-CB 3.8Å; I160-M196 HydrophobicContact CG2-CE 3.67Å; I160-M196 HydrophobicContact CG2-CG 4.37Å; C192-M196 WeakPolarHBondContact O-CB 3.39Å; C192-M196 VanDerWaalsContact O-CG 3.29Å; C192-M196 WeakPolarHBondContact O-CG 3.33Å; C192-M196 PolarHBondContact O-N 3.48Å; R193-M196 PolarHBondContact O-N 3.48Å; M196-L199 HydrophobicContact SD-CD1 3.98Å; M196-R200 WeakPolarHBondContact O-CB 3.46Å; M196-R200 PolarHBondContact O-N 3.24Å |
| 197 | Q | 84 | Confident | 83.6 | Confident | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 171.3 | -75.9 | 177.5 | -1.1 | 0 | 0 | 111.6 | R193 A194 Y195 R200 K201 | R193-Q197 HydrophobicContact CG-CG 4.49Å; R193-Q197 WeakPolarHBondContact O-CB 3.22Å; R193-Q197 WeakPolarHBondContact O-CG 3.47Å; R193-Q197 PolarHBondContact O-N 3.41Å; A194-Q197 PolarHBondContact O-N 2.98Å; Y195-Q197 VanDerWaalsContact C-N 3.32Å; Y195-Q197 PolarHBondContact O-N 3.46Å; Q197-R200 WeakPolarHBondContact O-CB 3.45Å; Q197-R200 PolarHBondContact O-N 3.21Å; Q197-K201 WeakPolarHBondContact O-CG 3.46Å; Q197-K201 PolarHBondContact O-N 3.11Å |
| 198 | M | 86.6 | Confident | 84.5 | Confident | 139 Ų | 139 | 78.1 Ų | 78.1 | 69% | 0.685 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 175.9 | -164.3 | -177 | -148.2 | 0 | 0 | 111.4 | A194 Y195 R200 K201 L202 | A194-M198 PolarHBondContact O-N 3.35Å; Y195-M198 WeakPolarHBondContact O-CB 3.1Å; Y195-M198 PolarHBondContact O-N 3.46Å; M198-R200 PolarHBondContact O-N 3.04Å; M198-K201 PolarHBondContact O-N 3.33Å; M198-L202 WeakPolarHBondContact O-CB 3.48Å; M198-L202 PolarHBondContact O-N 3.37Å |
| 199 | L | 84.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 174.2 | -74.7 | 171.1 | 0 | 0 | 0 | 111.5 | Y195 M196 K201 L202 F203 | Y195-L199 WeakPolarHBondContact O-CG 3.14Å; Y195-L199 PolarHBondContact O-N 3.17Å; M196-L199 HydrophobicContact SD-CD1 3.98Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.38Å; L199-L202 WeakPolarHBondContact O-CB 3.11Å; L199-L202 PolarHBondContact O-N 3.01Å; L199-F203 HydrophobicContact CD2-CE2 4.43Å; L199-F203 WeakPolarHBondContact O-CD2 3.21Å; L199-F203 PolarHBondContact O-N 3.01Å |
| 200 | R | 80.7 | Confident | 86.1 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 176.2 | -172.2 | -173.4 | -59.9 | -175 | 3.3 | 111.2 | D161 M196 Q197 M198 L202 F203 T204 | D161-R200 IonicContact OD1-NH2 2.8Å; M196-R200 WeakPolarHBondContact O-CB 3.46Å; M196-R200 PolarHBondContact O-N 3.24Å; Q197-R200 WeakPolarHBondContact O-CB 3.45Å; Q197-R200 PolarHBondContact O-N 3.21Å; M198-R200 PolarHBondContact O-N 3.04Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 3.28Å; R200-F203 PolarHBondContact O-N 3.09Å; R200-T204 PolarHBondContact O-N 3.09Å; R200-T204 PolarHBondContact O-OG1 3.12Å; R200-T204 VanDerWaalsContact O-OG1 3.04Å |
| 201 | K | 86 | Confident | 86.6 | Confident | 158 Ų | 158 | 70.9 Ų | 70.9 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 177.7 | -67 | -66.7 | -175.3 | 178.5 | 0 | 111.7 | Q197 M198 L199 T204 A205 | Q197-K201 WeakPolarHBondContact O-CG 3.46Å; Q197-K201 PolarHBondContact O-N 3.11Å; M198-K201 PolarHBondContact O-N 3.33Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.38Å; K201-T204 PolarHBondContact O-N 3.22Å; K201-A205 WeakPolarHBondContact O-CB 3.29Å; K201-A205 PolarHBondContact O-N 3.46Å |
| 202 | L | 88.7 | Confident | 87.1 | Confident | 95 Ų | 95 | 70 Ų | 70 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 176 | -178.2 | 66.2 | 0 | 0 | 0 | 111.7 | M198 L199 R200 T204 A205 I206 | M198-L202 WeakPolarHBondContact O-CB 3.48Å; M198-L202 PolarHBondContact O-N 3.37Å; L199-L202 WeakPolarHBondContact O-CB 3.11Å; L199-L202 PolarHBondContact O-N 3.01Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-L202 PolarHBondContact O-N 3.28Å; L202-T204 PolarHBondContact O-N 3.09Å; L202-A205 WeakPolarHBondContact O-CB 3.21Å; L202-A205 PolarHBondContact O-N 3.41Å; L202-I206 HydrophobicContact CD1-CD1 4.38Å; L202-I206 HydrophobicContact CG-CD1 4.01Å; L202-I206 WeakPolarHBondContact O-CG1 3.39Å; L202-I206 PolarHBondContact O-N 2.89Å |
| 203 | F | 84.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 178 | -80.9 | -68.4 | 0 | 0 | 0 | 112.8 | C84 P89 L199 R200 A205 I206 R207 | C84-F203 WeakPolarHBondContact O-CE1 3.39Å; P89-F203 VanDerWaalsContact CD-CE2 3.44Å; P89-F203 HydrophobicContact CG-CD2 4.24Å; L199-F203 HydrophobicContact CD2-CE2 4.43Å; L199-F203 WeakPolarHBondContact O-CD2 3.21Å; L199-F203 PolarHBondContact O-N 3.01Å; R200-F203 PolarHBondContact O-N 3.09Å; F203-A205 VanDerWaalsContact C-N 3.3Å; F203-A205 PolarHBondContact O-N 2.96Å; F203-I206 HydrophobicContact CD1-CD1 4.42Å; F203-I206 HydrophobicContact CE1-CD1 4.49Å; F203-I206 PolarHBondContact O-N 3.31Å; F203-R207 WeakPolarHBondContact O-CG 3.26Å; F203-R207 PolarHBondContact O-N 3.46Å |
| 204 | T | 84.6 | Confident | 88.2 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 172.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | F150 R200 K201 L202 R207 A208 | F150-T204 HydrophobicContact CE1-CG2 4.48Å; R200-T204 PolarHBondContact O-N 3.09Å; R200-T204 PolarHBondContact O-OG1 3.12Å; R200-T204 VanDerWaalsContact O-OG1 3.04Å; K201-T204 PolarHBondContact O-N 3.22Å; L202-T204 PolarHBondContact O-N 3.09Å; T204-R207 PolarHBondContact O-N 3.43Å; T204-A208 PolarHBondContact O-N 3.41Å |
| 205 | A | 90.7 | Very high | 88.5 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K201 L202 F203 R207 A208 L209 | K201-A205 WeakPolarHBondContact O-CB 3.29Å; K201-A205 PolarHBondContact O-N 3.46Å; L202-A205 WeakPolarHBondContact O-CB 3.21Å; L202-A205 PolarHBondContact O-N 3.41Å; F203-A205 VanDerWaalsContact C-N 3.3Å; F203-A205 PolarHBondContact O-N 2.96Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 2.9Å; A205-A208 PolarHBondContact O-N 2.89Å; A205-A208 VanDerWaalsContact O-N 3.15Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 2.96Å |
| 206 | I | 89.6 | Confident | 89 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.2 | -67.2 | 164.2 | 0 | 0 | 0 | 110.8 | L81 C84 L85 L202 F203 L209 F210 | L81-I206 HydrophobicContact CD2-CG2 4.07Å; C84-I206 HydrophobicContact CB-CD1 4.21Å; C84-I206 HydrophobicContact CB-CG2 4.23Å; L85-I206 HydrophobicContact CD2-CB 4.48Å; L85-I206 HydrophobicContact CD2-CG2 3.69Å; L85-I206 HydrophobicContact CG-CG2 3.82Å; L202-I206 HydrophobicContact CD1-CD1 4.38Å; L202-I206 HydrophobicContact CG-CD1 4.01Å; L202-I206 WeakPolarHBondContact O-CG1 3.39Å; L202-I206 PolarHBondContact O-N 2.89Å; F203-I206 HydrophobicContact CD1-CD1 4.42Å; F203-I206 HydrophobicContact CE1-CD1 4.49Å; F203-I206 PolarHBondContact O-N 3.31Å; I206-L209 PolarHBondContact O-N 3.2Å; I206-F210 WeakPolarHBondContact O-CB 3.49Å; I206-F210 PolarHBondContact O-N 2.95Å |
| 207 | R | 87.2 | Confident | 89.6 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.9 | -71.9 | -173.2 | -175.2 | 112 | 16.8 | 112.3 | L85 T91 L93 F150 Q153 F203 T204 A205 F210 L211 | L85-R207 HydrophobicContact CD2-CG 3.9Å; T91-R207 VanDerWaalsContact CB-NH2 3.3Å; T91-R207 PolarHBondContact OG1-NH2 3.11Å; L93-R207 HydrophobicContact CD2-CG 4Å; F150-R207 HydrophobicContact CE1-CB 4.38Å; F150-R207 HydrophobicContact CE2-CB 4.21Å; F150-R207 HydrophobicContact CZ-CB 3.71Å; Q153-R207 VanDerWaalsContact NE2-NE 3.16Å; F203-R207 WeakPolarHBondContact O-CG 3.26Å; F203-R207 PolarHBondContact O-N 3.46Å; T204-R207 PolarHBondContact O-N 3.43Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 2.9Å; R207-F210 PolarHBondContact O-N 2.93Å; R207-L211 PolarHBondContact O-N 2.86Å |
| 208 | A | 90.9 | Very high | 90 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F150 T204 A205 F210 L211 A212 | F150-A208 HydrophobicContact CZ-CB 4.27Å; T204-A208 PolarHBondContact O-N 3.41Å; A205-A208 PolarHBondContact O-N 2.89Å; A205-A208 VanDerWaalsContact O-N 3.15Å; A208-F210 VanDerWaalsContact C-N 3.35Å; A208-L211 PolarHBondContact O-N 3.26Å; A208-A212 PolarHBondContact O-N 2.92Å |
| 209 | L | 93.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 53% | 0.534 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 173.5 | -71.8 | 170.1 | 0 | 0 | 0 | 111.6 | L81 A205 I206 A212 V213 | L81-L209 HydrophobicContact CD2-CB 4.41Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 2.96Å; I206-L209 PolarHBondContact O-N 3.2Å; L209-A212 PolarHBondContact O-N 3.33Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 3.2Å |
| 210 | F | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.9 | -177.6 | -113.9 | 0 | 0 | 0 | 112.3 | S78 L81 L85 L93 A99 C146 I206 R207 A208 A212 V213 C214 | S78-F210 WeakPolarHBondContact OG-CE2 3.43Å; L81-F210 HydrophobicContact CB-CD2 4.11Å; L81-F210 HydrophobicContact CD1-CB 4.16Å; L81-F210 HydrophobicContact CD1-CD2 4.21Å; L85-F210 HydrophobicContact CD1-CD1 4.39Å; L85-F210 HydrophobicContact CD1-CG 4.39Å; L93-F210 HydrophobicContact CD2-CD1 4.26Å; A99-F210 VanDerWaalsContact CA-CZ 3.46Å; A99-F210 HydrophobicContact CB-CD2 4.36Å; A99-F210 HydrophobicContact CB-CE1 4.45Å; A99-F210 HydrophobicContact CB-CE2 3.62Å; A99-F210 HydrophobicContact CB-CZ 3.69Å; C146-F210 WeakPolarHBondContact SG-CD1 3.29Å; C146-F210 WeakPolarHBondContact SG-CE1 3.45Å; I206-F210 WeakPolarHBondContact O-CB 3.49Å; I206-F210 PolarHBondContact O-N 2.95Å; R207-F210 PolarHBondContact O-N 2.93Å; A208-F210 VanDerWaalsContact C-N 3.35Å; F210-A212 PolarHBondContact O-N 3.36Å; F210-V213 PolarHBondContact O-N 2.89Å; F210-C214 VanDerWaalsContact CZ-SG 3.52Å; F210-C214 PolarHBondContact O-N 3.42Å; F210-C214 PolarHBondContact O-SG 3.42Å |
| 211 | L | 92.5 | Very high | 91 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 172.7 | 177.1 | 64.4 | 0 | 0 | 0 | 111.6 | V143 C146 V147 F150 R207 A208 V213 C214 V215 | V143-L211 HydrophobicContact CG1-CD1 4.28Å; C146-L211 HydrophobicContact CB-CB 4.33Å; C146-L211 HydrophobicContact CB-CD1 3.73Å; V147-L211 HydrophobicContact CG2-CD1 4.2Å; F150-L211 HydrophobicContact CD2-CD2 4.36Å; F150-L211 HydrophobicContact CE2-CB 4.34Å; F150-L211 HydrophobicContact CE2-CD2 4.01Å; R207-L211 PolarHBondContact O-N 2.86Å; A208-L211 PolarHBondContact O-N 3.26Å; L211-V213 VanDerWaalsContact C-N 3.32Å; L211-V213 PolarHBondContact O-N 3.18Å; L211-C214 WeakPolarHBondContact O-CB 3.22Å; L211-C214 PolarHBondContact O-N 3.48Å; L211-C214 VanDerWaalsContact O-N 3.16Å; L211-V215 WeakPolarHBondContact O-CG2 3.44Å; L211-V215 PolarHBondContact O-N 3.19Å |
| 212 | A | 95.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A208 L209 F210 C214 V215 L216 | A208-A212 PolarHBondContact O-N 2.92Å; L209-A212 PolarHBondContact O-N 3.33Å; F210-A212 PolarHBondContact O-N 3.36Å; A212-C214 PolarHBondContact O-N 3.31Å; A212-V215 PolarHBondContact O-N 3.31Å; A212-L216 WeakPolarHBondContact O-CG 3.39Å; A212-L216 PolarHBondContact O-N 2.91Å |
| 213 | V | 94.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.2 | 165 | 0 | 0 | 0 | 0 | 111.5 | L74 V77 L81 L209 F210 L211 V215 L216 K217 | L74-V213 HydrophobicContact CD1-CB 4.28Å; L74-V213 HydrophobicContact CD1-CG1 3.71Å; L74-V213 HydrophobicContact CD1-CG2 4.24Å; L74-V213 HydrophobicContact CG-CG1 4.03Å; V77-V213 HydrophobicContact CG1-CG2 3.87Å; L81-V213 HydrophobicContact CD1-CB 4.41Å; L81-V213 HydrophobicContact CD1-CG2 3.95Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 3.2Å; F210-V213 PolarHBondContact O-N 2.89Å; L211-V213 VanDerWaalsContact C-N 3.32Å; L211-V213 PolarHBondContact O-N 3.18Å; V213-V215 PolarHBondContact O-N 3.19Å; V213-L216 PolarHBondContact O-N 3.32Å; V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 2.05Å |
| 214 | C | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 176.2 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | V143 F210 L211 A212 K217 V218 | V143-C214 HydrophobicContact CG2-CB 3.67Å; F210-C214 VanDerWaalsContact CZ-SG 3.52Å; F210-C214 PolarHBondContact O-N 3.42Å; F210-C214 PolarHBondContact O-SG 3.42Å; L211-C214 WeakPolarHBondContact O-CB 3.22Å; L211-C214 PolarHBondContact O-N 3.48Å; L211-C214 VanDerWaalsContact O-N 3.16Å; A212-C214 PolarHBondContact O-N 3.31Å; C214-K217 WeakPolarHBondContact O-CB 3.36Å; C214-K217 PolarHBondContact O-N 3.4Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å; C214-V218 PolarHBondContact O-N 2.69Å; C214-V218 VanDerWaalsContact O-N 3.14Å |
| 215 | V | 94 | Very high | 91.2 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111 | V143 L211 A212 V213 K217 V218 I219 | V143-V215 HydrophobicContact CG2-CG2 4.39Å; L211-V215 WeakPolarHBondContact O-CG2 3.44Å; L211-V215 PolarHBondContact O-N 3.19Å; A212-V215 PolarHBondContact O-N 3.31Å; V213-V215 PolarHBondContact O-N 3.19Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 3.49Å; V215-V218 WeakPolarHBondContact O-CB 3.49Å; V215-V218 PolarHBondContact O-N 3.43Å; V215-I219 HydrophobicContact CG1-CD1 3.99Å; V215-I219 WeakPolarHBondContact O-CG1 3.48Å; V215-I219 PolarHBondContact O-N 3.41Å |
| 216 | L | 95 | Very high | 90.9 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 174.9 | -71.8 | 169.6 | 0 | 0 | 0 | 111.7 | L74 A212 V213 V218 I219 V220 | L74-L216 HydrophobicContact CD1-CB 4.23Å; L74-L216 HydrophobicContact CD1-CD1 4.45Å; L74-L216 HydrophobicContact CD2-CB 3.82Å; A212-L216 WeakPolarHBondContact O-CG 3.39Å; A212-L216 PolarHBondContact O-N 2.91Å; V213-L216 PolarHBondContact O-N 3.32Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.11Å; L216-I219 PolarHBondContact O-N 3.28Å; L216-V220 WeakPolarHBondContact O-CB 3.46Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.47Å; L216-V220 PolarHBondContact O-N 2.77Å |
| 217 | K | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 177 | -73.7 | 172.3 | 170.3 | -169.8 | 0 | 111.5 | L74 S78 A102 V106 A139 V213 C214 V215 S221 | L74-K217 HydrophobicContact CB-CG 4.4Å; L74-K217 HydrophobicContact CD2-CB 3.99Å; L74-K217 HydrophobicContact CD2-CG 3.28Å; L74-K217 VanDerWaalsContact CD2-N 3.35Å; L74-K217 HydrophobicContact CG-CD 4.47Å; L74-K217 HydrophobicContact CG-CG 3.55Å; L74-K217 WeakPolarHBondContact O-CE 3.3Å; S78-K217 PolarHBondContact OG-NZ 3.22Å; A102-K217 VanDerWaalsContact C-NZ 3.28Å; A102-K217 PolarHBondContact O-NZ 3.09Å; V106-K217 HydrophobicContact CG1-CG 4.49Å; V106-K217 HydrophobicContact CG2-CD 4.05Å; V106-K217 HydrophobicContact CG2-CG 4.39Å; A139-K217 HydrophobicContact CB-CB 3.84Å; V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 2.05Å; C214-K217 WeakPolarHBondContact O-CB 3.36Å; C214-K217 PolarHBondContact O-N 3.4Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 3.49Å; K217-S221 VanDerWaalsContact O-CB 3.26Å; K217-S221 WeakPolarHBondContact O-CB 3.29Å; K217-S221 PolarHBondContact O-N 3.21Å; K217-S221 PolarHBondContact O-OG 3.27Å |
| 218 | V | 93.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | F136 A139 M140 V143 C214 V215 L216 S221 L222 | F136-V218 HydrophobicContact CD2-CG1 4.22Å; F136-V218 HydrophobicContact CE2-CG1 3.81Å; A139-V218 HydrophobicContact CB-CG2 3.73Å; M140-V218 HydrophobicContact CG-CG2 4.13Å; M140-V218 HydrophobicContact SD-CB 4.34Å; M140-V218 HydrophobicContact SD-CG1 3.73Å; M140-V218 HydrophobicContact SD-CG2 3.58Å; M140-V218 VanDerWaalsContact SD-CG2 3.58Å; V143-V218 HydrophobicContact CG2-CG2 4.29Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å; C214-V218 PolarHBondContact O-N 2.69Å; C214-V218 VanDerWaalsContact O-N 3.14Å; V215-V218 WeakPolarHBondContact O-CB 3.49Å; V215-V218 PolarHBondContact O-N 3.43Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.11Å; V218-S221 PolarHBondContact O-N 3.2Å; V218-L222 HydrophobicContact CG1-CD1 4.05Å; V218-L222 WeakPolarHBondContact O-CG 3.09Å; V218-L222 PolarHBondContact O-N 3.4Å |
| 219 | I | 93.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 46% | 0.456 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -50.9 | 179.3 | -64.2 | 166 | 0 | 0 | 0 | 110.8 | V215 L216 S221 L222 V223 | V215-I219 HydrophobicContact CG1-CD1 3.99Å; V215-I219 WeakPolarHBondContact O-CG1 3.48Å; V215-I219 PolarHBondContact O-N 3.41Å; L216-I219 PolarHBondContact O-N 3.28Å; I219-S221 VanDerWaalsContact C-N 3.3Å; I219-S221 PolarHBondContact O-N 3.29Å; I219-L222 PolarHBondContact O-N 3.13Å; I219-V223 WeakPolarHBondContact O-CG2 3.48Å; I219-V223 PolarHBondContact O-N 3.41Å |
| 220 | V | 91.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L67 T70 Q71 L216 V223 S224 | L67-V220 HydrophobicContact CD2-CG1 4.23Å; T70-V220 HydrophobicContact CG2-CG1 4.39Å; T70-V220 HydrophobicContact CG2-CG2 4.04Å; Q71-V220 HydrophobicContact CG-CG1 3.65Å; L216-V220 WeakPolarHBondContact O-CB 3.46Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.47Å; L216-V220 PolarHBondContact O-N 2.77Å; V220-V223 PolarHBondContact O-N 3.33Å; V220-S224 WeakPolarHBondContact O-CB 3.5Å; V220-S224 PolarHBondContact O-N 2.82Å; V220-S224 PolarHBondContact O-OG 2.88Å |
| 221 | S | 89.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 176.7 | -57 | 0 | 0 | 0 | 0 | 111.8 | K217 V218 I219 S224 L225 | K217-S221 VanDerWaalsContact O-CB 3.26Å; K217-S221 WeakPolarHBondContact O-CB 3.29Å; K217-S221 PolarHBondContact O-N 3.21Å; K217-S221 PolarHBondContact O-OG 3.27Å; V218-S221 PolarHBondContact O-N 3.2Å; I219-S221 VanDerWaalsContact C-N 3.3Å; I219-S221 PolarHBondContact O-N 3.29Å; S221-S224 PolarHBondContact O-N 3.4Å; S221-L225 WeakPolarHBondContact O-CB 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.46Å; S221-L225 PolarHBondContact O-N 3.3Å |
| 222 | L | 89.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 50 Ų | 50 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174 | -74.4 | 170.3 | 0 | 0 | 0 | 112.1 | F136 V218 I219 S224 L225 G226 | F136-L222 HydrophobicContact CD2-CD2 4.11Å; F136-L222 HydrophobicContact CD2-CG 4.12Å; F136-L222 HydrophobicContact CE2-CD1 4.27Å; F136-L222 HydrophobicContact CE2-CD2 3.65Å; F136-L222 HydrophobicContact CE2-CG 3.82Å; F136-L222 HydrophobicContact CZ-CD2 4.34Å; V218-L222 HydrophobicContact CG1-CD1 4.05Å; V218-L222 WeakPolarHBondContact O-CG 3.09Å; V218-L222 PolarHBondContact O-N 3.4Å; I219-L222 PolarHBondContact O-N 3.13Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-L225 PolarHBondContact O-N 3.35Å; L222-G226 PolarHBondContact O-N 3.34Å |
| 223 | V | 88.2 | Confident | 85 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | F48 L67 I219 V220 G226 V227 | F48-V223 HydrophobicContact CZ-CG1 4.17Å; L67-V223 HydrophobicContact CD1-CG1 4.01Å; L67-V223 HydrophobicContact CD2-CB 4.37Å; L67-V223 HydrophobicContact CD2-CG1 3.85Å; I219-V223 WeakPolarHBondContact O-CG2 3.48Å; I219-V223 PolarHBondContact O-N 3.41Å; V220-V223 PolarHBondContact O-N 3.33Å; V223-G226 PolarHBondContact O-N 3.15Å; V223-V227 WeakPolarHBondContact O-CG2 3.38Å; V223-V227 PolarHBondContact O-N 2.92Å |
| 224 | S | 84.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 179 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | Q71 V220 S221 L222 G226 V227 G228 | Q71-S224 PolarHBondContact NE2-OG 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.5Å; V220-S224 PolarHBondContact O-N 2.82Å; V220-S224 PolarHBondContact O-OG 2.88Å; S221-S224 PolarHBondContact O-N 3.4Å; L222-S224 VanDerWaalsContact C-N 3.33Å; S224-G226 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.42Å; S224-V227 PolarHBondContact O-N 3.35Å; S224-G228 PolarHBondContact O-N 2.92Å |
| 225 | L | 85.2 | Confident | 81.4 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 172.5 | -73.5 | 168.3 | 0 | 0 | 0 | 111.3 | T132 F136 S221 L222 G228 L229 | T132-L225 HydrophobicContact CG2-CD2 3.8Å; T132-L225 HydrophobicContact CG2-CG 3.69Å; F136-L225 HydrophobicContact CB-CD1 4.44Å; S221-L225 WeakPolarHBondContact O-CB 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.46Å; S221-L225 PolarHBondContact O-N 3.3Å; L222-L225 PolarHBondContact O-N 3.35Å; L225-G228 PolarHBondContact O-N 3.03Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.21Å |
| 226 | G | 83.3 | Confident | 79.2 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L222 V223 S224 R230 | L222-G226 PolarHBondContact O-N 3.34Å; V223-G226 PolarHBondContact O-N 3.15Å; S224-G226 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.42Å; G226-R230 WeakPolarHBondContact O-CB 3.21Å; G226-R230 PolarHBondContact O-N 3.34Å; G226-R230 VanDerWaalsContact O-N 3.13Å |
| 227 | V | 80.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 174.7 | 176 | 0 | 0 | 0 | 0 | 110.7 | L67 V223 S224 L229 R230 N231 | L67-V227 HydrophobicContact CD1-CG2 4.13Å; V223-V227 WeakPolarHBondContact O-CG2 3.38Å; V223-V227 PolarHBondContact O-N 2.92Å; S224-V227 PolarHBondContact O-N 3.35Å; V227-L229 PolarHBondContact O-N 2.8Å; V227-R230 WeakPolarHBondContact O-CB 3.12Å; V227-R230 PolarHBondContact O-N 3.36Å; V227-N231 PolarHBondContact O-N 3.49Å |
| 228 | G | 74.9 | Confident | 74.3 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S224 L225 R230 N231 L232 | S224-G228 PolarHBondContact O-N 2.92Å; L225-G228 PolarHBondContact O-N 3.03Å; G228-R230 PolarHBondContact O-N 3.3Å; G228-N231 PolarHBondContact O-N 3.36Å; G228-L232 WeakPolarHBondContact O-CG 3.49Å; G228-L232 PolarHBondContact O-N 3.2Å; G228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | L | 78.1 | Confident | 71.4 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 55% | 0.55 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.7 | -73.1 | 170.2 | 0 | 0 | 0 | 112.2 | L225 V227 N231 L232 C233 | L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.35Å; L225-L229 PolarHBondContact O-N 3.21Å; V227-L229 PolarHBondContact O-N 2.8Å; L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 3.48Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-C233 PolarHBondContact O-N 3.13Å; L229-C233 PolarHBondContact O-SG 2.65Å |
| 230 | R | 78.5 | Confident | 68.8 | Low | 170 Ų | 170 | 77 Ų | 77 | 64% | 0.642 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 175.8 | -171.2 | -179 | -177 | -162.5 | -1.7 | 111.5 | G226 V227 G228 G234 | G226-R230 WeakPolarHBondContact O-CB 3.21Å; G226-R230 PolarHBondContact O-N 3.34Å; G226-R230 VanDerWaalsContact O-N 3.13Å; V227-R230 WeakPolarHBondContact O-CB 3.12Å; V227-R230 PolarHBondContact O-N 3.36Å; G228-R230 PolarHBondContact O-N 3.3Å; R230-G234 PolarHBondContact O-N 3.3Å |
| 231 | N | 68.2 | Low | 66.4 | Low | 40 Ų | 40 | 83 Ų | 83 | 21% | 0.214 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 177.1 | -70.5 | -4.4 | 0 | 0 | 0 | 111.6 | I60 V227 G228 L229 G234 Q235 | I60-N231 WeakPolarHBondContact CG2-ND2 3.46Å; I60-N231 WeakPolarHBondContact CG2-OD1 3.46Å; V227-N231 PolarHBondContact O-N 3.49Å; G228-N231 PolarHBondContact O-N 3.36Å; L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 3.48Å; N231-G234 PolarHBondContact O-N 3.26Å; N231-Q235 PolarHBondContact O-N 3.09Å; N231-Q235 VanDerWaalsContact O-N 3.07Å |
| 232 | L | 67.9 | Low | 64.3 | Low | 104 Ų | 104 | 91.4 Ų | 91.4 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 177.1 | -69.4 | 171.6 | 0 | 0 | 0 | 112.5 | G228 L229 Q235 S236 | G228-L232 WeakPolarHBondContact O-CG 3.49Å; G228-L232 PolarHBondContact O-N 3.2Å; G228-L232 VanDerWaalsContact O-N 3.08Å; L229-L232 PolarHBondContact O-N 2.9Å; L232-Q235 PolarHBondContact O-N 3.38Å; L232-S236 WeakPolarHBondContact O-CB 3.15Å; L232-S236 PolarHBondContact O-N 3.06Å |
| 233 | C | 69.2 | Low | 62.2 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.2 | -32.5 | 177.9 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | L229 S237 | L229-C233 PolarHBondContact O-N 3.13Å; L229-C233 PolarHBondContact O-SG 2.65Å; C233-S237 PolarHBondContact O-OG 2.72Å; C233-S237 VanDerWaalsContact O-OG 3.06Å |
| 234 | G | 58.4 | Low | 59.8 | Low | 43 Ų | 43 | 95.2 Ų | 95.2 | 44% | 0.443 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R230 N231 | R230-G234 PolarHBondContact O-N 3.3Å; N231-G234 PolarHBondContact O-N 3.26Å |
| 235 | Q | 53.8 | Low | 57.8 | Low | 142 Ų | 142 | 97.8 Ų | 97.8 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.1 | -32.9 | 176.1 | -84.8 | -178.8 | -5.6 | 0 | 0 | 113.5 | N231 L232 S237 Q238 | N231-Q235 PolarHBondContact O-N 3.09Å; N231-Q235 VanDerWaalsContact O-N 3.07Å; L232-Q235 PolarHBondContact O-N 3.38Å; Q235-S237 PolarHBondContact O-N 3.17Å; Q235-S237 VanDerWaalsContact O-N 3.14Å; Q235-Q238 CarbonylContact O-C 3.6Å; Q235-Q238 PolarHBondContact O-N 3.39Å |
| 236 | S | 48.9 | Very low | 55.9 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -16.5 | 177.2 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | L232 Q238 P239 | L232-S236 WeakPolarHBondContact O-CB 3.15Å; L232-S236 PolarHBondContact O-N 3.06Å; S236-Q238 VanDerWaalsContact C-N 3.26Å; S236-P239 WeakPolarHBondContact O-CD 3.22Å |
| 237 | S | 45 | Very low | 54.1 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -5.8 | 173.4 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | C233 Q235 | C233-S237 PolarHBondContact O-OG 2.72Å; C233-S237 VanDerWaalsContact O-OG 3.06Å; Q235-S237 PolarHBondContact O-N 3.17Å; Q235-S237 VanDerWaalsContact O-N 3.14Å |
| 238 | Q | 38.6 | Very low | 52.4 | Low | 162 Ų | 162 | 119 Ų | 119 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -133.3 | 55.4 | -170.9 | -161.6 | 174.9 | 7.4 | 0 | 0 | 112.6 | Q235 S236 | Q235-Q238 CarbonylContact O-C 3.6Å; Q235-Q238 PolarHBondContact O-N 3.39Å; S236-Q238 VanDerWaalsContact C-N 3.26Å |
| 239 | P | 32.4 | Very low | 50.9 | Low | 91 Ų | 91 | 124.8 Ų | 124.8 | 59% | 0.591 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -143.9 | 82.7 | 150.3 | 35.8 | -16.7 | 0 | 0 | 0 | 111.2 | S236 | S236-P239 WeakPolarHBondContact O-CD 3.22Š|
| 240 | L | 39.7 | Very low | 49.4 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 89% | 0.89 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -161.4 | 14.8 | 164.6 | -113.6 | 154.8 | 0 | 0 | 0 | 114.6 | ||
| 241 | N | 39.2 | Very low | 47.6 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -122.5 | 4.9 | 179.1 | -110.9 | -2.9 | 0 | 0 | 0 | 115 | ||
| 242 | E | 45.4 | Very low | 46.4 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -9 | 174.7 | -87 | 178.3 | 133.1 | 0 | 0 | 114 | ||
| 243 | E | 45.5 | Very low | 45.4 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -4.2 | 173.2 | -140.6 | 175.9 | 125.8 | 0 | 0 | 113.3 | ||
| 244 | G | 38.5 | Very low | 44.2 | Very low | 44 Ų | 44 | 133 Ų | 133 | 45% | 0.454 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -11 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 245 | S | 43.3 | Very low | 43.9 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 51% | 0.51 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | -24.9 | -175.2 | -163.7 | 0 | 0 | 0 | 0 | 114 | K247 R248 | S245-K247 VanDerWaalsContact C-N 3.29Å; S245-K247 PolarHBondContact O-N 3.35Å; S245-R248 PolarHBondContact O-N 3.36Å |
| 246 | E | 45.7 | Very low | 44 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -19.3 | 173 | -82.2 | -171.1 | 136.6 | 0 | 0 | 113.1 | ||
| 247 | K | 45.6 | Very low | 43.9 | Very low | 175 Ų | 175 | 137 Ų | 137 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -8.1 | 172.7 | -73.9 | -178.2 | 179.9 | 172.6 | 0 | 114.3 | S245 | S245-K247 VanDerWaalsContact C-N 3.29Å; S245-K247 PolarHBondContact O-N 3.35Å |
| 248 | R | 43 | Very low | 44 | Very low | 212 Ų | 212 | 137.4 Ų | 137.4 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -94.6 | -9.5 | 175.9 | -72.3 | -150 | 176.2 | -134.2 | 1.3 | 114.6 | S245 | S245-R248 PolarHBondContact O-N 3.36Š|
| 249 | L | 44.3 | Very low | 44.3 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -0.7 | 176 | -70.8 | 166.9 | 0 | 0 | 0 | 113.7 | ||
| 250 | L | 46.2 | Very low | 44.9 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 9.9 | 179.7 | -91.7 | 146.5 | 0 | 0 | 0 | 113.7 | ||
| 251 | G | 41.3 | Very low | 45.1 | Very low | 60 Ų | 60 | 139.5 Ų | 139.5 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | trans | -126.1 | 21.2 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 252 | E | 43.7 | Very low | 45.3 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -110.2 | 63.7 | -176.8 | -162.4 | 163.5 | 120.9 | 0 | 0 | 111 | ||||
| 253 | N | 45.1 | Very low | 45.1 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -154.5 | 58.3 | 167.5 | -80.9 | -49.8 | 0 | 0 | 0 | 109.6 | ||||
| 254 | S | 45.1 | Very low | 45 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -136.3 | 96.2 | 173 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 255 | V | 51.1 | Low | 45.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -29.2 | 131.2 | 167.3 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 256 | P | 56.5 | Low | 45.3 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 140.6 | 173.6 | 32.5 | -29.5 | 0 | 0 | 0 | 111 | S258 | P256-S258 PolarHBondContact O-N 2.91Š|
| 257 | P | 46.1 | Very low | 45.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 121.4 | 174.1 | 31.5 | -28.8 | 0 | 0 | 0 | 109.5 | ||
| 258 | S | 48.2 | Very low | 45.6 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135.9 | 173.4 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | P256 | P256-S258 PolarHBondContact O-N 2.91Š|
| 259 | P | 44.3 | Very low | 45.7 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -118.8 | 112.1 | 158.9 | 33 | -18.2 | 0 | 0 | 0 | 109.7 | ||||
| 260 | S | 44.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -158.3 | 120.3 | 162.9 | -17.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 261 | R | 44.7 | Very low | 45.7 | Very low | 235 Ų | 235 | 136.3 Ų | 136.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 67.2 | 93.3 | 148.3 | -74 | -173.1 | 162.2 | 171.1 | -3.9 | 119.6 | ||||
| 262 | E | 43.1 | Very low | 46 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | 44.6 | 127.3 | 103.3 | -147.8 | 175.1 | -175 | 0 | 0 | 119.4 | |||||
| 263 | Q | 42.4 | Very low | 46.1 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 80.5 | 103.9 | 152.8 | -114.8 | 172.5 | 61.4 | 0 | 0 | 118.2 | ||||
| 264 | T | 41.9 | Very low | 46.1 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | 152.4 | 122.4 | 94.1 | -45.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 265 | S | 46.5 | Very low | 46.2 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 63.8 | 112 | 142.3 | -72.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 266 | T | 42.6 | Very low | 45.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | 86.7 | 109.1 | 119.2 | -37.7 | 0 | 0 | 0 | 0 | 119.8 | I268 | T266-I268 HydrophobicContact CG2-CG1 4.26Š| |||
| 267 | A | 49 | Very low | 45.1 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -147.5 | 108.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 268 | I | 47.6 | Very low | 45 | Very low | 140 Ų | 140 | 142 Ų | 142 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | 59 | 102.7 | 75 | -61.9 | -178 | 0 | 0 | 0 | 113 | T266 | T266-I268 HydrophobicContact CG2-CG1 4.26Š| |||
| 269 | V | 45.4 | Very low | 44.8 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 67 | 120.7 | 137.9 | -174.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 270 | L | 45.6 | Very low | 44.8 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 100% | 1.251 | 81% | 0.807 | S | S | * | * | cis | -144.9 | 0 | 49 | -164.3 | 95.2 | 0 | 0 | 0 | 110.7 |
Retrieved 270 of 270 residues in 146.6 ms
(Link to these results)