| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.9 | Very low | 34 | Very low | 242 Ų | 242 | 143.7 Ų | 143.7 | 100% | 1.192 | 73% | 0.726 | S | S | * | * | 0 | 55.4 | 0 | -159 | 170.1 | 172 | 0 | 0 | 110.2 | |||||
| 2 | L | 36 | Very low | 34.2 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -117.8 | -6.7 | -172.2 | -87.2 | 151.2 | 0 | 0 | 0 | 113.2 | ||||
| 3 | L | 33.2 | Very low | 34.2 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -75.2 | -25.5 | -177.5 | -90.1 | 123.9 | 0 | 0 | 0 | 113.6 | Q6 | L3-Q6 PolarHBondContact O-N 3.38Š|
| 4 | F | 34.9 | Very low | 34.6 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 75% | 0.746 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -73.1 | -29.4 | 178.6 | -96.7 | -86.2 | 0 | 0 | 0 | 113.7 | Q6 | F4-Q6 VanDerWaalsContact C-N 3.27Å; F4-Q6 PolarHBondContact O-N 3.37Å |
| 5 | C | 33.6 | Very low | 35 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -70 | -21.3 | 176.8 | -85.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 6 | Q | 31.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 59% | 0.593 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.4 | -22.6 | 179.9 | -68.3 | -170.6 | -13 | 0 | 0 | 113.5 | L3 F4 F8 R9 | L3-Q6 PolarHBondContact O-N 3.38Å; F4-Q6 VanDerWaalsContact C-N 3.27Å; F4-Q6 PolarHBondContact O-N 3.37Å; Q6-F8 VanDerWaalsContact C-N 3.27Å; Q6-F8 PolarHBondContact O-N 3.48Å; Q6-R9 WeakPolarHBondContact O-CB 3.47Å; Q6-R9 PolarHBondContact O-N 3.31Å |
| 7 | L | 32.3 | Very low | 35.8 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.8 | -25.5 | 173.8 | -90.3 | 152.9 | 0 | 0 | 0 | 112.6 | R9 | L7-R9 PolarHBondContact O-N 3.14Å |
| 8 | F | 34.9 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 52% | 0.518 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -79.9 | -1.9 | 173.9 | -87.9 | -69.2 | 0 | 0 | 0 | 114.2 | Q6 C10 C40 | Q6-F8 VanDerWaalsContact C-N 3.27Å; Q6-F8 PolarHBondContact O-N 3.48Å; F8-C10 PolarHBondContact O-N 2.79Å; F8-C40 HydrophobicContact CD1-CB 3.26Å; F8-C40 WeakPolarHBondContact CD1-SG 3.13Å; F8-C40 HydrophobicContact CE1-CB 3.59Å; F8-C40 HydrophobicContact CG-CB 4.19Å; F8-C40 PolarHBondContact O-SG 2.99Å |
| 9 | R | 28.5 | Very low | 36.5 | Very low | 196 Ų | 196 | 126.1 Ų | 126.1 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -69.6 | -14.1 | -176.4 | -151.5 | 174.2 | -168.6 | -173.8 | 1.8 | 113.8 | Q6 L7 | Q6-R9 WeakPolarHBondContact O-CB 3.47Å; Q6-R9 PolarHBondContact O-N 3.31Å; L7-R9 PolarHBondContact O-N 3.14Å |
| 10 | C | 34.9 | Very low | 36.8 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -147.9 | 25.3 | -160.6 | -69.4 | 0 | 0 | 0 | 0 | 116.8 | F8 T12 | F8-C10 PolarHBondContact O-N 2.79Å; C10-T12 VanDerWaalsContact C-N 3.28Å; C10-T12 PolarHBondContact O-OG1 2.95Å |
| 11 | V | 36.6 | Very low | 36.9 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | trans | -99.8 | 57.9 | 155.9 | -169.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 12 | T | 35.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | 31.4 | 112 | 98.2 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | C10 | C10-T12 VanDerWaalsContact C-N 3.28Å; C10-T12 PolarHBondContact O-OG1 2.95Å | |||
| 13 | N | 34.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | trans | 87.7 | 38.7 | 158.7 | -138.6 | 8 | 0 | 0 | 0 | 118.3 | ||||
| 14 | I | 39.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | trans | -91.3 | 110.6 | 145.2 | -56 | 174.6 | 0 | 0 | 0 | 104.1 | P16 | I14-P16 WeakPolarHBondContact O-CD 3.32Š| ||
| 15 | N | 40.7 | Very low | 37.3 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | trans | -70.9 | 97.7 | 159.2 | -84.3 | -31.1 | 0 | 0 | 0 | 105.3 | T17 | N15-T17 PolarHBondContact O-N 3.01Š| ||
| 16 | P | 44.4 | Very low | 37.4 | Very low | 30 Ų | 30 | 120.4 Ų | 120.4 | 20% | 0.195 | 61% | 0.606 | C | S | . | * | trans | -54.8 | 116.5 | 171.8 | 24 | -34 | 0 | 0 | 0 | 106.9 | I14 F18 | I14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-F18 VanDerWaalsContact C-N 3.33Å; P16-F18 HydrophobicContact CB-CE1 4.22Å; P16-F18 HydrophobicContact CB-CE2 4.14Å; P16-F18 HydrophobicContact CB-CZ 3.92Å; P16-F18 HydrophobicContact CG-CD2 4.38Å; P16-F18 HydrophobicContact CG-CE1 4.16Å; P16-F18 HydrophobicContact CG-CE2 3.52Å; P16-F18 HydrophobicContact CG-CZ 3.38Å; P16-F18 WeakPolarHBondContact O-CD2 3.1Å; P16-F18 WeakPolarHBondContact O-CE2 3.43Å; P16-F18 PolarHBondContact O-N 3.26Å | ||
| 17 | T | 40.1 | Very low | 37.7 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 96 | 177 | -30.7 | 0 | 0 | 0 | 0 | 105.9 | N15 T19 | N15-T17 PolarHBondContact O-N 3.01Å; T17-T19 PolarHBondContact O-N 3.22Å |
| 18 | F | 44.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 55% | 0.553 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.1 | 111.2 | 177.6 | -60.7 | -79.1 | 0 | 0 | 0 | 108.4 | P16 V45 | P16-F18 VanDerWaalsContact C-N 3.33Å; P16-F18 HydrophobicContact CB-CE1 4.22Å; P16-F18 HydrophobicContact CB-CE2 4.14Å; P16-F18 HydrophobicContact CB-CZ 3.92Å; P16-F18 HydrophobicContact CG-CD2 4.38Å; P16-F18 HydrophobicContact CG-CE1 4.16Å; P16-F18 HydrophobicContact CG-CE2 3.52Å; P16-F18 HydrophobicContact CG-CZ 3.38Å; P16-F18 WeakPolarHBondContact O-CD2 3.1Å; P16-F18 WeakPolarHBondContact O-CE2 3.43Å; P16-F18 PolarHBondContact O-N 3.26Å; F18-V45 HydrophobicContact CD1-CB 3.94Å; F18-V45 HydrophobicContact CD1-CG1 4.2Å; F18-V45 HydrophobicContact CE1-CB 4.02Å; F18-V45 HydrophobicContact CE1-CG1 4.24Å; F18-V45 HydrophobicContact CE1-CG2 4.3Å |
| 19 | T | 39.8 | Very low | 38.1 | Very low | 78 Ų | 78 | 116 Ų | 116 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 93.1 | 170.3 | -49.8 | 0 | 0 | 0 | 0 | 107 | T17 R21 | T17-T19 PolarHBondContact O-N 3.22Å; T19-R21 HydrophobicContact CG2-CG 4.44Å; T19-R21 PolarHBondContact O-N 3.45Å |
| 20 | V | 43.2 | Very low | 38.4 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 35% | 0.345 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.2 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | Y49 | V20-Y49 HydrophobicContact CG1-CD1 4.43Å; V20-Y49 HydrophobicContact CG1-CE1 3.6Å |
| 21 | R | 37.9 | Very low | 38.6 | Very low | 181 Ų | 181 | 117.5 Ų | 117.5 | 68% | 0.683 | 62% | 0.622 | S | S | * | * | trans | -105.6 | 107.1 | 172.1 | -84.8 | -171 | 172 | -171.8 | -1.3 | 108.7 | T19 | T19-R21 HydrophobicContact CG2-CG 4.44Å; T19-R21 PolarHBondContact O-N 3.45Å | ||
| 22 | K | 37.8 | Very low | 38.8 | Very low | 75 Ų | 75 | 118 Ų | 118 | 33% | 0.326 | 61% | 0.614 | S | S | . | * | trans | -86.4 | 126.7 | 173.7 | -163.8 | -176.6 | -157.7 | 129.5 | 0 | 108.8 | S24 R25 C27 Y49 | K22-S24 VanDerWaalsContact CD-O 3.28Å; K22-S24 WeakPolarHBondContact CD-O 3.49Å; K22-S24 WeakPolarHBondContact CE-O 3.43Å; K22-S24 WeakPolarHBondContact CG-O 3.23Å; K22-S24 PolarHBondContact O-N 3.4Å; K22-R25 WeakPolarHBondContact CD-O 3.44Å; K22-R25 VanDerWaalsContact CE-O 3.26Å; K22-R25 WeakPolarHBondContact CE-O 3.4Å; K22-C27 PolarHBondContact NZ-O 3.22Å; K22-Y49 HydrophobicContact CB-CE1 3.8Å; K22-Y49 HydrophobicContact CB-CE2 4.4Å; K22-Y49 WeakPolarHBondContact CB-OH 2.85Å; K22-Y49 HydrophobicContact CD-CE1 4.38Å; K22-Y49 HydrophobicContact CD-CE2 3.63Å; K22-Y49 WeakPolarHBondContact CD-OH 3.17Å; K22-Y49 VanDerWaalsContact CE-CZ 3.45Å; K22-Y49 WeakPolarHBondContact CE-OH 3.39Å; K22-Y49 HydrophobicContact CG-CD2 4.29Å; K22-Y49 HydrophobicContact CG-CE1 3.76Å; K22-Y49 HydrophobicContact CG-CE2 3.48Å; K22-Y49 VanDerWaalsContact CG-CE2 3.48Å; K22-Y49 WeakPolarHBondContact CG-OH 3.34Å; K22-Y49 VanDerWaalsContact NZ-CE2 3.3Å; K22-Y49 PolarHBondContact NZ-OH 3.28Å | ||
| 23 | M | 41.6 | Very low | 38.9 | Very low | 159 Ų | 159 | 119.4 Ų | 119.4 | 78% | 0.783 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -80.7 | -2.9 | -178.9 | -140.3 | 155 | -177.2 | 0 | 0 | 113 | ||
| 24 | S | 36.8 | Very low | 39.3 | Very low | 70 Ų | 70 | 115.7 Ų | 115.7 | 49% | 0.49 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -158.5 | 122.4 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | K22 | K22-S24 VanDerWaalsContact CD-O 3.28Å; K22-S24 WeakPolarHBondContact CD-O 3.49Å; K22-S24 WeakPolarHBondContact CE-O 3.43Å; K22-S24 WeakPolarHBondContact CG-O 3.23Å; K22-S24 PolarHBondContact O-N 3.4Å |
| 25 | R | 34.7 | Very low | 39.2 | Very low | 214 Ų | 214 | 115.7 Ų | 115.7 | 81% | 0.808 | 62% | 0.621 | S | S | * | * | trans | 69.1 | 116.5 | 167.1 | -66.6 | -177.3 | -179.7 | 179.8 | 0.8 | 119.5 | K22 C27 | K22-R25 WeakPolarHBondContact CD-O 3.44Å; K22-R25 VanDerWaalsContact CE-O 3.26Å; K22-R25 WeakPolarHBondContact CE-O 3.4Å; R25-C27 PolarHBondContact O-N 3.3Å | ||
| 26 | D | 36.2 | Very low | 39.4 | Very low | 175 Ų | 175 | 115.4 Ų | 115.4 | 94% | 0.936 | 63% | 0.626 | S | S | * | * | trans | -43.8 | 89.4 | 167.6 | -59.4 | -69.9 | 0 | 0 | 0 | 113.9 | ||||
| 27 | C | 37.5 | Very low | 39.5 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 55% | 0.547 | 63% | 0.633 | S | S | . | * | trans | -134.1 | 133.7 | 168.5 | -104.1 | 0 | 0 | 0 | 0 | 108.5 | K22 R25 | K22-C27 PolarHBondContact NZ-O 3.22Å; R25-C27 PolarHBondContact O-N 3.3Å | ||
| 28 | P | 36.2 | Very low | 39.6 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.8 | -172.2 | 26.2 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 29 | C | 38.6 | Very low | 39.7 | Very low | 79 Ų | 79 | 115.7 Ų | 115.7 | 53% | 0.534 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 132 | -170.3 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 30 | E | 36.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 114.4 Ų | 114.4 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 141.4 | 165 | -74.3 | 177.8 | 161.3 | 0 | 0 | 109.8 | F32 | E30-F32 HydrophobicContact CB-CE2 4.08Å; E30-F32 HydrophobicContact CB-CZ 4.18Å; E30-F32 VanDerWaalsContact O-CD2 3.23Å; E30-F32 WeakPolarHBondContact O-CD2 3.28Å; E30-F32 WeakPolarHBondContact O-CE2 3.4Å; E30-F32 PolarHBondContact O-N 2.78Å |
| 31 | N | 38.5 | Very low | 39.8 | Very low | 166 Ų | 166 | 120.4 Ų | 120.4 | 89% | 0.888 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 117.9 | 176.8 | -73.2 | -31.6 | 0 | 0 | 0 | 109.4 | ||
| 32 | F | 40.5 | Very low | 40.4 | Very low | 130 Ų | 130 | 112.4 Ų | 112.4 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 126.7 | 174.6 | -64.7 | -85.2 | 0 | 0 | 0 | 110.8 | E30 V54 | E30-F32 HydrophobicContact CB-CE2 4.08Å; E30-F32 HydrophobicContact CB-CZ 4.18Å; E30-F32 VanDerWaalsContact O-CD2 3.23Å; E30-F32 WeakPolarHBondContact O-CD2 3.28Å; E30-F32 WeakPolarHBondContact O-CE2 3.4Å; E30-F32 PolarHBondContact O-N 2.78Å; F32-V54 HydrophobicContact CE1-CG2 4.39Å |
| 33 | T | 37.5 | Very low | 40.8 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 87% | 0.871 | 61% | 0.61 | S | S | * | * | trans | -93.3 | 101.6 | 169.6 | 46.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 34 | A | 42.5 | Very low | 40.9 | Very low | 66 Ų | 66 | 104.7 Ų | 104.7 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | trans | -75.1 | 137.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 35 | S | 39 | Very low | 41.5 | Very low | 91 Ų | 91 | 101.8 Ų | 101.8 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | trans | -52.4 | 155.2 | 166.8 | -40.3 | 0 | 0 | 0 | 0 | 109.5 | L37 | S35-L37 PolarHBondContact O-N 2.89Š| ||
| 36 | P | 43.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 93.1 Ų | 93.1 | 82% | 0.818 | 53% | 0.534 | S | S | * | . | trans | -68 | 82.7 | -177.7 | 29.2 | -33.6 | 0 | 0 | 0 | 109.7 | ||||
| 37 | L | 46.9 | Very low | 43.1 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | trans | -50.8 | 144.5 | 154.2 | -70 | 160.9 | 0 | 0 | 0 | 105.4 | S35 L39 I42 | S35-L37 PolarHBondContact O-N 2.89Å; L37-L39 WeakPolarHBondContact O-CG 3.26Å; L37-L39 PolarHBondContact O-N 3.02Å; L37-I42 HydrophobicContact CB-CD1 4Å; L37-I42 HydrophobicContact CD1-CD1 4.33Å | ||
| 38 | C | 42.4 | Very low | 43.6 | Very low | 105 Ų | 105 | 86 Ų | 86 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | trans | -62.2 | 83.1 | 169.2 | -82.7 | 0 | 0 | 0 | 0 | 108.4 | C40 | C38-C40 PolarHBondContact O-N 3.27Š| ||
| 39 | L | 45.5 | Very low | 44.3 | Very low | 92 Ų | 92 | 83.3 Ų | 83.3 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -4.7 | -175.1 | -79.1 | 160.2 | 0 | 0 | 0 | 112.3 | L37 R41 I42 | L37-L39 WeakPolarHBondContact O-CG 3.26Å; L37-L39 PolarHBondContact O-N 3.02Å; L39-R41 PolarHBondContact O-N 2.74Å; L39-I42 HydrophobicContact CD2-CB 4.46Å; L39-I42 HydrophobicContact CD2-CD1 4.32Å; L39-I42 PolarHBondContact O-N 2.62Å |
| 40 | C | 42.4 | Very low | 44.5 | Very low | 51 Ų | 51 | 84.3 Ų | 84.3 | 35% | 0.345 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.5 | -178.1 | -48.6 | 0 | 0 | 0 | 0 | 114 | F8 C38 | F8-C40 HydrophobicContact CD1-CB 3.26Å; F8-C40 WeakPolarHBondContact CD1-SG 3.13Å; F8-C40 HydrophobicContact CE1-CB 3.59Å; F8-C40 HydrophobicContact CG-CB 4.19Å; F8-C40 PolarHBondContact O-SG 2.99Å; C38-C40 PolarHBondContact O-N 3.27Å |
| 41 | R | 43.6 | Very low | 44.8 | Very low | 182 Ų | 182 | 82.5 Ų | 82.5 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -122.2 | -13.5 | 175.8 | -69.4 | -174.5 | 169.5 | 176.3 | -4.3 | 114.6 | L39 C43 N60 | L39-R41 PolarHBondContact O-N 2.74Å; R41-C43 PolarHBondContact O-N 2.63Å; R41-N60 WeakPolarHBondContact CB-OD1 3.2Å; R41-N60 PolarHBondContact O-OD1 3.02Å |
| 42 | I | 50.1 | Low | 45.1 | Very low | 14 Ų | 14 | 81 Ų | 81 | 7% | 0.072 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 103.9 | -171.6 | -57 | 170 | 0 | 0 | 0 | 108.6 | L37 L39 V45 T58 | L37-I42 HydrophobicContact CB-CD1 4Å; L37-I42 HydrophobicContact CD1-CD1 4.33Å; L39-I42 HydrophobicContact CD2-CB 4.46Å; L39-I42 HydrophobicContact CD2-CD1 4.32Å; L39-I42 PolarHBondContact O-N 2.62Å; I42-V45 HydrophobicContact CG2-CG2 3.44Å; I42-V45 VanDerWaalsContact CG2-CG2 3.44Å; I42-T58 HydrophobicContact CD1-CG2 3.68Å; I42-T58 HydrophobicContact CG1-CG2 3.95Å; I42-T58 HydrophobicContact CG2-CG2 3.83Å |
| 43 | C | 45.6 | Very low | 45.1 | Very low | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.216 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -29.8 | 178.2 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | R41 Q59 K61 | R41-C43 PolarHBondContact O-N 2.63Å; C43-Q59 PolarHBondContact N-O 3.07Å; C43-K61 HydrophobicContact CB-CB 3.99Å; C43-K61 HydrophobicContact CB-CD 4.37Å |
| 44 | C | 44.2 | Very low | 45.5 | Very low | 39 Ų | 39 | 71.5 Ų | 71.5 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138 | -179.7 | -64.6 | 0 | 0 | 0 | 0 | 110 | Q59 | C44-Q59 HydrophobicContact CB-CB 4.3Å; C44-Q59 PolarHBondContact O-N 2.96Å |
| 45 | V | 50.4 | Low | 45.8 | Very low | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.6 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | F18 I42 V47 L56 I57 | F18-V45 HydrophobicContact CD1-CB 3.94Å; F18-V45 HydrophobicContact CD1-CG1 4.2Å; F18-V45 HydrophobicContact CE1-CB 4.02Å; F18-V45 HydrophobicContact CE1-CG1 4.24Å; F18-V45 HydrophobicContact CE1-CG2 4.3Å; I42-V45 HydrophobicContact CG2-CG2 3.44Å; I42-V45 VanDerWaalsContact CG2-CG2 3.44Å; V45-V47 HydrophobicContact CG1-CG2 4.23Å; V45-L56 HydrophobicContact CG1-CD2 3.11Å; V45-L56 HydrophobicContact CG1-CG 4.5Å; V45-I57 WeakPolarHBondContact CA-O 2.91Å |
| 46 | I | 51 | Low | 46.4 | Very low | 32 Ų | 32 | 67.9 Ų | 67.9 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.1 | 175.3 | -48.5 | 176.6 | 0 | 0 | 0 | 107.7 | Y48 I57 | I46-Y48 HydrophobicContact CB-CE2 3.89Å; I46-Y48 HydrophobicContact CG2-CD2 3.97Å; I46-Y48 HydrophobicContact CG2-CE1 4.49Å; I46-Y48 HydrophobicContact CG2-CE2 3.25Å; I46-I57 HydrophobicContact CB-CB 4.34Å; I46-I57 PolarHBondContact N-O 2.93Å; I46-I57 PolarHBondContact O-N 3.31Å |
| 47 | V | 51.8 | Low | 46.7 | Very low | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.5 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | V45 V54 I55 L56 | V45-V47 HydrophobicContact CG1-CG2 4.23Å; V47-V54 HydrophobicContact CG1-CG1 3.67Å; V47-I55 WeakPolarHBondContact CA-O 3.09Å; V47-L56 HydrophobicContact CG2-CD2 3.66Å; V47-L56 HydrophobicContact CG2-CG 4.47Å |
| 48 | Y | 49.2 | Very low | 47 | Very low | 92 Ų | 92 | 60 Ų | 60 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.7 | 169.7 | -62.6 | -94.7 | 0 | 0 | 0 | 108.7 | I46 I55 I57 | I46-Y48 HydrophobicContact CB-CE2 3.89Å; I46-Y48 HydrophobicContact CG2-CD2 3.97Å; I46-Y48 HydrophobicContact CG2-CE1 4.49Å; I46-Y48 HydrophobicContact CG2-CE2 3.25Å; Y48-I55 PolarHBondContact N-O 2.93Å; Y48-I55 PolarHBondContact O-N 2.95Å; Y48-I57 HydrophobicContact CD2-CD1 3.82Å; Y48-I57 HydrophobicContact CD2-CG1 4.14Å; Y48-I57 HydrophobicContact CE2-CD1 3.44Å; Y48-I57 VanDerWaalsContact CE2-CD1 3.44Å; Y48-I57 HydrophobicContact CE2-CG1 4.07Å |
| 49 | Y | 50.8 | Low | 47.2 | Very low | 70 Ų | 70 | 59.5 Ų | 59.5 | 28% | 0.275 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 96.9 | 173.9 | 61.7 | -76.6 | 0 | 0 | 0 | 107.7 | V20 K22 | V20-Y49 HydrophobicContact CG1-CD1 4.43Å; V20-Y49 HydrophobicContact CG1-CE1 3.6Å; K22-Y49 HydrophobicContact CB-CE1 3.8Å; K22-Y49 HydrophobicContact CB-CE2 4.4Å; K22-Y49 WeakPolarHBondContact CB-OH 2.85Å; K22-Y49 HydrophobicContact CD-CE1 4.38Å; K22-Y49 HydrophobicContact CD-CE2 3.63Å; K22-Y49 WeakPolarHBondContact CD-OH 3.17Å; K22-Y49 VanDerWaalsContact CE-CZ 3.45Å; K22-Y49 WeakPolarHBondContact CE-OH 3.39Å; K22-Y49 HydrophobicContact CG-CD2 4.29Å; K22-Y49 HydrophobicContact CG-CE1 3.76Å; K22-Y49 HydrophobicContact CG-CE2 3.48Å; K22-Y49 VanDerWaalsContact CG-CE2 3.48Å; K22-Y49 WeakPolarHBondContact CG-OH 3.34Å; K22-Y49 VanDerWaalsContact NZ-CE2 3.3Å; K22-Y49 PolarHBondContact NZ-OH 3.28Å |
| 50 | D | 42.6 | Very low | 47.1 | Very low | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -130.5 | 106.4 | 165.6 | -144.2 | -8.9 | 0 | 0 | 0 | 105.4 | ||
| 51 | V | 41.8 | Very low | 47 | Very low | 113 Ų | 113 | 63.3 Ų | 63.3 | 69% | 0.685 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 63.8 | 105.6 | 174.2 | -135.4 | 0 | 0 | 0 | 0 | 115.4 | S53 | V51-S53 VanDerWaalsContact C-N 3.26Å; V51-S53 PolarHBondContact O-N 2.98Å |
| 52 | T | 45.6 | Very low | 46.8 | Very low | 133 Ų | 133 | 64.7 Ų | 64.7 | 82% | 0.816 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 63.7 | -12.2 | 165.5 | 47.4 | 0 | 0 | 0 | 0 | 120.3 | N76 | T52-N76 PolarHBondContact O-ND2 3.27Š|
| 53 | S | 40.7 | Very low | 46.1 | Very low | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | trans | -136.6 | 140.3 | -179.1 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | V51 | V51-S53 VanDerWaalsContact C-N 3.26Å; V51-S53 PolarHBondContact O-N 2.98Å | ||
| 54 | V | 46.6 | Very low | 45.5 | Very low | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 106.5 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | F32 V47 L56 N76 | F32-V54 HydrophobicContact CE1-CG2 4.39Å; V47-V54 HydrophobicContact CG1-CG1 3.67Å; V54-L56 HydrophobicContact CG1-CD1 4.3Å; V54-L56 HydrophobicContact CG1-CG 4.33Å; V54-N76 WeakPolarHBondContact CG2-OD1 3.43Å |
| 55 | I | 48.9 | Very low | 45 | Very low | 55 Ų | 55 | 81.1 Ų | 81.1 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.6 | 177.2 | -55.8 | 174.6 | 0 | 0 | 0 | 108 | V47 Y48 I57 L71 | V47-I55 WeakPolarHBondContact CA-O 3.09Å; Y48-I55 PolarHBondContact N-O 2.93Å; Y48-I55 PolarHBondContact O-N 2.95Å; I55-I57 HydrophobicContact CG2-CG1 4.03Å; I55-L71 HydrophobicContact CG2-CD2 3.89Å; I55-L71 HydrophobicContact CG2-CG 4.19Å |
| 56 | L | 51 | Low | 44.1 | Very low | 26 Ų | 26 | 82.7 Ų | 82.7 | 14% | 0.136 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 102.9 | 179.1 | -86.9 | 158 | 0 | 0 | 0 | 109 | V45 V47 V54 L72 L74 | V45-L56 HydrophobicContact CG1-CD2 3.11Å; V45-L56 HydrophobicContact CG1-CG 4.5Å; V47-L56 HydrophobicContact CG2-CD2 3.66Å; V47-L56 HydrophobicContact CG2-CG 4.47Å; V54-L56 HydrophobicContact CG1-CD1 4.3Å; V54-L56 HydrophobicContact CG1-CG 4.33Å; L56-L72 PolarHBondContact N-O 2.92Å; L56-L74 HydrophobicContact CB-CB 4.4Å; L56-L74 HydrophobicContact CB-CD1 3.9Å; L56-L74 HydrophobicContact CD1-CB 3.81Å; L56-L74 HydrophobicContact CD1-CD1 3.07Å; L56-L74 HydrophobicContact CD1-CG 3.97Å; L56-L74 HydrophobicContact CG-CD1 4.02Å |
| 57 | I | 50.8 | Low | 43.2 | Very low | 16 Ų | 16 | 87.2 Ų | 87.2 | 8% | 0.082 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.5 | 177.2 | -51.7 | -168.8 | 0 | 0 | 0 | 108.7 | V45 I46 Y48 I55 L71 | V45-I57 WeakPolarHBondContact CA-O 2.91Å; I46-I57 HydrophobicContact CB-CB 4.34Å; I46-I57 PolarHBondContact N-O 2.93Å; I46-I57 PolarHBondContact O-N 3.31Å; Y48-I57 HydrophobicContact CD2-CD1 3.82Å; Y48-I57 HydrophobicContact CD2-CG1 4.14Å; Y48-I57 HydrophobicContact CE2-CD1 3.44Å; Y48-I57 VanDerWaalsContact CE2-CD1 3.44Å; Y48-I57 HydrophobicContact CE2-CG1 4.07Å; I55-I57 HydrophobicContact CG2-CG1 4.03Å; I57-L71 HydrophobicContact CD1-CD1 4.15Å |
| 58 | T | 51.6 | Low | 42.4 | Very low | 11 Ų | 11 | 92 Ų | 92 | 7% | 0.067 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.2 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | I42 | I42-T58 HydrophobicContact CD1-CG2 3.68Å; I42-T58 HydrophobicContact CG1-CG2 3.95Å; I42-T58 HydrophobicContact CG2-CG2 3.83Å |
| 59 | Q | 46.5 | Very low | 42.1 | Very low | 94 Ų | 94 | 94.2 Ų | 94.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.1 | 170.9 | -71.4 | -177.2 | -6.7 | 0 | 0 | 109.7 | C43 C44 | C43-Q59 PolarHBondContact N-O 3.07Å; C44-Q59 HydrophobicContact CB-CB 4.3Å; C44-Q59 PolarHBondContact O-N 2.96Å |
| 60 | N | 44.5 | Very low | 41.7 | Very low | 55 Ų | 55 | 94.8 Ų | 94.8 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.8 | 169.7 | -76.3 | -14 | 0 | 0 | 0 | 108.7 | R41 Y62 | R41-N60 WeakPolarHBondContact CB-OD1 3.2Å; R41-N60 PolarHBondContact O-OD1 3.02Å; N60-Y62 PolarHBondContact O-N 3.34Å; N60-Y62 VanDerWaalsContact O-N 3.14Å |
| 61 | K | 40.4 | Very low | 41.6 | Very low | 169 Ų | 169 | 94.9 Ų | 94.9 | 74% | 0.735 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 10.2 | -178.1 | -125.5 | -179.2 | -175.9 | -177.7 | 0 | 114.6 | C43 | C43-K61 HydrophobicContact CB-CB 3.99Å; C43-K61 HydrophobicContact CB-CD 4.37Å |
| 62 | Y | 38.2 | Very low | 41.8 | Very low | 211 Ų | 211 | 93.4 Ų | 93.4 | 83% | 0.827 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | 22.1 | -169.8 | -83.9 | -77.5 | 0 | 0 | 0 | 114.6 | N60 | N60-Y62 PolarHBondContact O-N 3.34Å; N60-Y62 VanDerWaalsContact O-N 3.14Å |
| 63 | L | 37.2 | Very low | 41.6 | Very low | 105 Ų | 105 | 90.6 Ų | 90.6 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | trans | -101.8 | 93.6 | 160.2 | -79.8 | 159.7 | 0 | 0 | 0 | 107.6 | D65 N68 | L63-D65 PolarHBondContact O-N 3.19Å; L63-N68 HydrophobicContact CD1-CB 4.45Å | ||
| 64 | D | 33 | Very low | 41.7 | Very low | 154 Ų | 154 | 91.2 Ų | 91.2 | 82% | 0.824 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36 | 127.7 | 150 | -108.2 | -125.6 | 0 | 0 | 0 | 108.7 | ||
| 65 | D | 32.4 | Very low | 41.1 | Very low | 170 Ų | 170 | 98.5 Ų | 98.5 | 91% | 0.909 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 26 | 166.5 | -73.3 | -27.5 | 0 | 0 | 0 | 121.2 | L63 | L63-D65 PolarHBondContact O-N 3.19Š|
| 66 | G | 32.1 | Very low | 40.4 | Very low | 44 Ų | 44 | 100.4 Ų | 100.4 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | trans | 176.9 | 122.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N68 | G66-N68 PolarHBondContact O-N 3.05Š| ||
| 67 | C | 31.3 | Very low | 39.7 | Very low | 127 Ų | 127 | 109.9 Ų | 109.9 | 86% | 0.858 | 58% | 0.577 | S | S | * | * | trans | -60.2 | 90.6 | 164 | -88.7 | 0 | 0 | 0 | 0 | 108.9 | E69 | C67-E69 PolarHBondContact O-N 2.97Š| ||
| 68 | N | 35.3 | Very low | 39.1 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 61% | 0.61 | 60% | 0.602 | S | S | * | * | trans | -83.1 | 97.5 | 163.5 | -135.4 | 29 | 0 | 0 | 0 | 106.3 | L63 G66 D70 | L63-N68 HydrophobicContact CD1-CB 4.45Å; G66-N68 PolarHBondContact O-N 3.05Å; N68-D70 PolarHBondContact O-N 2.99Å | ||
| 69 | E | 42.6 | Very low | 38.4 | Very low | 138 Ų | 138 | 120 Ų | 120 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | trans | -70.5 | 83.9 | 171 | -63.8 | -176 | 111.9 | 0 | 0 | 108.2 | C67 L71 | C67-E69 PolarHBondContact O-N 2.97Å; E69-L71 PolarHBondContact O-N 3.27Å | ||
| 70 | D | 42 | Very low | 38 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 44% | 0.439 | 64% | 0.641 | S | S | . | * | trans | -70.4 | 90.4 | 167.1 | -79.4 | -40 | 0 | 0 | 0 | 107.7 | N68 L72 | N68-D70 PolarHBondContact O-N 2.99Å; D70-L72 VanDerWaalsContact C-N 3.34Å; D70-L72 PolarHBondContact O-N 3.26Å | ||
| 71 | L | 41.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 53% | 0.529 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 85.4 | 179.3 | -145.8 | 123.8 | 0 | 0 | 0 | 108.5 | I55 I57 E69 A73 | I55-L71 HydrophobicContact CG2-CD2 3.89Å; I55-L71 HydrophobicContact CG2-CG 4.19Å; I57-L71 HydrophobicContact CD1-CD1 4.15Å; E69-L71 PolarHBondContact O-N 3.27Å; L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 3.44Å |
| 72 | L | 45.6 | Very low | 37.4 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.1 | 91.8 | 170.4 | -89.4 | 148.5 | 0 | 0 | 0 | 108.5 | L56 D70 L74 | L56-L72 PolarHBondContact N-O 2.92Å; D70-L72 VanDerWaalsContact C-N 3.34Å; D70-L72 PolarHBondContact O-N 3.26Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.96Å |
| 73 | A | 40.9 | Very low | 37.4 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.5 | 96.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | L71 Q75 | L71-A73 VanDerWaalsContact C-N 3.35Å; L71-A73 PolarHBondContact O-N 3.44Å; A73-Q75 VanDerWaalsContact C-N 3.34Å; A73-Q75 PolarHBondContact O-N 2.82Å |
| 74 | L | 43.2 | Very low | 37.4 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 37% | 0.366 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.9 | 93.8 | 170.5 | -100.1 | 157 | 0 | 0 | 0 | 107.2 | L56 L72 N76 | L56-L74 HydrophobicContact CB-CB 4.4Å; L56-L74 HydrophobicContact CB-CD1 3.9Å; L56-L74 HydrophobicContact CD1-CB 3.81Å; L56-L74 HydrophobicContact CD1-CD1 3.07Å; L56-L74 HydrophobicContact CD1-CG 3.97Å; L56-L74 HydrophobicContact CG-CD1 4.02Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 2.96Å; L74-N76 PolarHBondContact O-N 3.4Å |
| 75 | Q | 34.8 | Very low | 37.7 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 80% | 0.799 | 64% | 0.639 | S | S | * | * | trans | -61.3 | 123.6 | 169.6 | -122.3 | 171.6 | -7.2 | 0 | 0 | 107.8 | A73 I77 | A73-Q75 VanDerWaalsContact C-N 3.34Å; A73-Q75 PolarHBondContact O-N 2.82Å; Q75-I77 PolarHBondContact O-N 2.84Å | ||
| 76 | N | 33 | Very low | 38.2 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | -46.5 | 126.8 | 175.3 | -86.2 | -27.3 | 0 | 0 | 0 | 109.9 | T52 V54 L74 | T52-N76 PolarHBondContact O-ND2 3.27Å; V54-N76 WeakPolarHBondContact CG2-OD1 3.43Å; L74-N76 PolarHBondContact O-N 3.4Å | ||
| 77 | I | 35.7 | Very low | 38.7 | Very low | 225 Ų | 225 | 116.2 Ų | 116.2 | 100% | 1.154 | 63% | 0.631 | S | S | * | * | trans | -73.7 | 0 | 158.5 | -59.3 | 172.9 | 0 | 0 | 0 | 107.3 | Q75 | Q75-I77 PolarHBondContact O-N 2.84Š|
Retrieved 77 of 77 residues in 15.2 ms
(Link to these results)