| 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 | 28.9 | Very low | 37.3 | Very low | 207 Ų | 207 | 136.4 Ų | 136.4 | 100% | 1.02 | 71% | 0.713 | S | S | * | * | 0 | -77.4 | 0 | -58.7 | -169.3 | -169.9 | 0 | 0 | 111.8 | R3 C4 | M1-R3 PolarHBondContact O-N 3.43Å; M1-C4 WeakPolarHBondContact O-CB 3.4Å; M1-C4 PolarHBondContact O-N 3.33Å; M1-C4 PolarHBondContact O-SG 3.01Å | |||
| 2 | L | 28.1 | Very low | 37.6 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 7.5 | -169.6 | -110.7 | 74.2 | 0 | 0 | 0 | 118.9 | ||
| 3 | R | 31.3 | Very low | 38.1 | Very low | 228 Ų | 228 | 130.5 Ų | 130.5 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -12.1 | 165.2 | -76.8 | -174.1 | 174.8 | 168.2 | 0.2 | 113.7 | M1 L5 Y6 | M1-R3 PolarHBondContact O-N 3.43Å; R3-L5 PolarHBondContact O-N 3.04Å; R3-Y6 WeakPolarHBondContact O-CB 3.43Å; R3-Y6 PolarHBondContact O-N 3.36Å |
| 4 | C | 35.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -9.5 | -172.7 | -53.6 | 0 | 0 | 0 | 0 | 114.2 | M1 | M1-C4 WeakPolarHBondContact O-CB 3.4Å; M1-C4 PolarHBondContact O-N 3.33Å; M1-C4 PolarHBondContact O-SG 3.01Å |
| 5 | L | 44.3 | Very low | 37.7 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -11.8 | 174.1 | -68.1 | 166.8 | 0 | 0 | 0 | 113.1 | R3 N7 G8 | R3-L5 PolarHBondContact O-N 3.04Å; L5-N7 PolarHBondContact O-N 2.63Å; L5-G8 PolarHBondContact O-N 3.4Å |
| 6 | Y | 36.2 | Very low | 37.7 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.2 | -26.4 | -162.5 | -160 | -104.4 | 0 | 0 | 0 | 114.4 | R3 | R3-Y6 WeakPolarHBondContact O-CB 3.43Å; R3-Y6 PolarHBondContact O-N 3.36Å |
| 7 | N | 36.5 | Very low | 37.5 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -86.5 | -19.3 | 177.9 | -72.3 | 4.2 | 0 | 0 | 0 | 113.7 | L5 V9 | L5-N7 PolarHBondContact O-N 2.63Å; N7-V9 VanDerWaalsContact C-N 3.31Å; N7-V9 PolarHBondContact O-N 3.21Å |
| 8 | G | 37.1 | Very low | 37.5 | Very low | 43 Ų | 43 | 126.7 Ų | 126.7 | 44% | 0.443 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -67.2 | -31.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L5 L12 | L5-G8 PolarHBondContact O-N 3.4Å; G8-L12 WeakPolarHBondContact O-CG 3.27Å; G8-L12 PolarHBondContact O-N 3.07Å |
| 9 | V | 45.9 | Very low | 37.7 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.4 | -40 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | N7 V11 L12 V13 | N7-V9 VanDerWaalsContact C-N 3.31Å; N7-V9 PolarHBondContact O-N 3.21Å; V9-V11 PolarHBondContact O-N 2.98Å; V9-L12 PolarHBondContact O-N 3.16Å; V9-V13 HydrophobicContact CG1-CG2 4.48Å; V9-V13 WeakPolarHBondContact O-CG2 3.48Å; V9-V13 PolarHBondContact O-N 3.08Å |
| 10 | V | 43.1 | Very low | 37.2 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | -176 | -175 | 0 | 0 | 0 | 0 | 111.5 | V13 F14 | V10-V13 PolarHBondContact O-N 2.76Å; V10-F14 PolarHBondContact O-N 3.35Å |
| 11 | V | 42.8 | Very low | 36.9 | Very low | 88 Ų | 88 | 127 Ų | 127 | 53% | 0.533 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 111 | V9 F14 F15 | V9-V11 PolarHBondContact O-N 2.98Å; V11-F14 PolarHBondContact O-N 3.13Å; V11-F15 HydrophobicContact CG1-CD2 3.99Å; V11-F15 HydrophobicContact CG1-CE2 4.41Å; V11-F15 PolarHBondContact O-N 3.44Å |
| 12 | L | 41.6 | Very low | 37.2 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.4 | -32.4 | 177.4 | -74.5 | 170.8 | 0 | 0 | 0 | 113.2 | G8 V9 S16 | G8-L12 WeakPolarHBondContact O-CG 3.27Å; G8-L12 PolarHBondContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 3.16Å; L12-S16 VanDerWaalsContact O-CB 3.26Å; L12-S16 WeakPolarHBondContact O-CB 3.29Å; L12-S16 PolarHBondContact O-N 2.83Å; L12-S16 PolarHBondContact O-OG 2.85Å |
| 13 | V | 43.2 | Very low | 37.5 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 172.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V9 V10 S16 L17 | V9-V13 HydrophobicContact CG1-CG2 4.48Å; V9-V13 WeakPolarHBondContact O-CG2 3.48Å; V9-V13 PolarHBondContact O-N 3.08Å; V10-V13 PolarHBondContact O-N 2.76Å; V13-S16 PolarHBondContact O-OG 3.03Å; V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.39Å; V13-L17 VanDerWaalsContact O-N 3.11Å |
| 14 | F | 35.3 | Very low | 38.4 | Very low | 146 Ų | 146 | 112 Ų | 112 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67 | -43.9 | 176.6 | -108.4 | -88.9 | 0 | 0 | 0 | 112.8 | V10 V11 S16 L17 V18 | V10-F14 PolarHBondContact O-N 3.35Å; V11-F14 PolarHBondContact O-N 3.13Å; F14-S16 PolarHBondContact O-N 3.48Å; F14-L17 PolarHBondContact O-N 3.19Å; F14-V18 WeakPolarHBondContact O-CG2 3.45Å; F14-V18 PolarHBondContact O-N 3.32Å; F14-V18 VanDerWaalsContact O-N 3.14Å |
| 15 | F | 35.8 | Very low | 39.3 | Very low | 140 Ų | 140 | 110.4 Ų | 110.4 | 61% | 0.614 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.4 | -34.3 | 176.7 | -96.5 | -85.2 | 0 | 0 | 0 | 113.1 | V11 L17 V18 A19 | V11-F15 HydrophobicContact CG1-CD2 3.99Å; V11-F15 HydrophobicContact CG1-CE2 4.41Å; V11-F15 PolarHBondContact O-N 3.44Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 2.89Å; F15-V18 PolarHBondContact O-N 2.85Å; F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.28Å; F15-A19 PolarHBondContact O-N 3.11Å |
| 16 | S | 37.2 | Very low | 40.5 | Very low | 47 Ų | 47 | 108.5 Ų | 108.5 | 33% | 0.329 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.2 | -14.6 | 175.3 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | L12 V13 F14 R20 | L12-S16 VanDerWaalsContact O-CB 3.26Å; L12-S16 WeakPolarHBondContact O-CB 3.29Å; L12-S16 PolarHBondContact O-N 2.83Å; L12-S16 PolarHBondContact O-OG 2.85Å; V13-S16 PolarHBondContact O-OG 3.03Å; F14-S16 PolarHBondContact O-N 3.48Å; S16-R20 WeakPolarHBondContact O-CB 3.22Å; S16-R20 VanDerWaalsContact O-CD 3.3Å; S16-R20 WeakPolarHBondContact O-CD 3.44Å; S16-R20 VanDerWaalsContact O-CG 3.23Å; S16-R20 WeakPolarHBondContact O-CG 3.5Å |
| 17 | L | 34.9 | Very low | 42.1 | Very low | 132 Ų | 132 | 101.7 Ų | 101.7 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -83.6 | -26.4 | 167 | -76.8 | 166.7 | 0 | 0 | 0 | 113 | V13 F14 F15 | V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 WeakPolarHBondContact O-CG 3.49Å; V13-L17 PolarHBondContact O-N 3.39Å; V13-L17 VanDerWaalsContact O-N 3.11Å; F14-L17 PolarHBondContact O-N 3.19Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 2.89Å |
| 18 | V | 36.5 | Very low | 43.9 | Very low | 119 Ų | 119 | 97.8 Ų | 97.8 | 72% | 0.721 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -93.3 | -21 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | F14 F15 | F14-V18 WeakPolarHBondContact O-CG2 3.45Å; F14-V18 PolarHBondContact O-N 3.32Å; F14-V18 VanDerWaalsContact O-N 3.14Å; F15-V18 PolarHBondContact O-N 2.85Å |
| 19 | A | 41.4 | Very low | 45.4 | Very low | 79 Ų | 79 | 96.5 Ų | 96.5 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -119.4 | 39 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F15 | F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.28Å; F15-A19 PolarHBondContact O-N 3.11Å |
| 20 | R | 28 | Very low | 46 | Very low | 196 Ų | 196 | 99.7 Ų | 99.7 | 74% | 0.74 | 56% | 0.557 | S | S | * | * | trans | -120 | 137.3 | 170.3 | -85 | -176.4 | 167.5 | 177.2 | -5.2 | 112.3 | S16 | S16-R20 WeakPolarHBondContact O-CB 3.22Å; S16-R20 VanDerWaalsContact O-CD 3.3Å; S16-R20 WeakPolarHBondContact O-CD 3.44Å; S16-R20 VanDerWaalsContact O-CG 3.23Å; S16-R20 WeakPolarHBondContact O-CG 3.5Å | ||
| 21 | S | 31.4 | Very low | 46.4 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 78% | 0.783 | 56% | 0.561 | S | S | * | * | trans | 55.2 | 78.8 | 173.2 | 54.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 22 | C | 33.8 | Very low | 46.8 | Very low | 147 Ų | 147 | 101.4 Ų | 101.4 | 99% | 0.993 | 56% | 0.555 | S | S | * | * | -88.2 | 91.7 | 118.1 | -75.8 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 23 | G | 36.3 | Very low | 46.9 | Very low | 51 Ų | 51 | 99.1 Ų | 99.1 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | trans | -103.8 | 118.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E25 | G23-E25 PolarHBondContact O-N 2.8Š| ||
| 24 | I | 49.9 | Very low | 47.4 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | trans | -73.9 | 116.3 | 162.2 | -59.7 | 174.4 | 0 | 0 | 0 | 106.3 | I26 Q39 | I24-I26 HydrophobicContact CG2-CG1 4.33Å; I24-Q39 HydrophobicContact CG2-CG 3.7Å | ||
| 25 | E | 54.9 | Low | 48.5 | Very low | 79 Ų | 79 | 105.1 Ų | 105.1 | 37% | 0.369 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.5 | 178 | -161.1 | 174.7 | 174 | 0 | 0 | 109.5 | G23 Y40 F80 | G23-E25 PolarHBondContact O-N 2.8Å; E25-Y40 PolarHBondContact O-N 3.43Å; E25-F80 WeakPolarHBondContact OE2-CE1 3.38Å; E25-F80 VanDerWaalsContact OE2-CZ 3.31Å; E25-F80 WeakPolarHBondContact OE2-CZ 3.16Å |
| 26 | I | 68 | Low | 50.3 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.1 | 169.8 | -63.2 | 166.2 | 0 | 0 | 0 | 107.8 | I24 L38 Q39 | I24-I26 HydrophobicContact CG2-CG1 4.33Å; I26-L38 WeakPolarHBondContact CA-O 3.43Å; I26-Q39 HydrophobicContact CD1-CG 4.5Å; I26-Q39 HydrophobicContact CG1-CB 4.13Å; I26-Q39 HydrophobicContact CG1-CG 3.84Å |
| 27 | K | 71 | Confident | 52.3 | Low | 41 Ų | 41 | 99 Ų | 99 | 18% | 0.178 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.2 | 116.4 | -177 | -174.4 | 171.2 | 152.7 | -153.5 | 0 | 109.6 | L38 F72 E75 F76 | K27-L38 PolarHBondContact N-O 3.18Å; K27-L38 PolarHBondContact O-N 3.35Å; K27-F72 HydrophobicContact CG-CZ 4.18Å; K27-E75 PolarHBondContact NZ-O 3.18Å; K27-F76 HydrophobicContact CB-CD2 3.97Å; K27-F76 HydrophobicContact CB-CE2 3.78Å; K27-F76 HydrophobicContact CD-CD2 3.73Å; K27-F76 HydrophobicContact CD-CE2 3.98Å; K27-F76 HydrophobicContact CG-CD2 4.25Å; K27-F76 HydrophobicContact CG-CE2 4.44Å |
| 28 | C | 74.8 | Confident | 54.6 | Low | 48 Ų | 48 | 92.8 Ų | 92.8 | 32% | 0.324 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 147.2 | -179 | -48 | 0 | 0 | 0 | 0 | 111.3 | F36 C37 | C28-F36 WeakPolarHBondContact CA-O 3.49Å; C28-C37 HydrophobicContact CB-CB 4.01Å; C28-C37 WeakPolarHBondContact CB-SG 3.28Å; C28-C37 VanDerWaalsContact SG-CA 3.6Å; C28-C37 WeakPolarHBondContact SG-CB 3.38Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.49Å |
| 29 | D | 66.9 | Low | 56.9 | Low | 16 Ų | 16 | 88.4 Ų | 88.4 | 9% | 0.086 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.1 | 169.2 | -171 | 20.1 | 0 | 0 | 0 | 110.6 | K31 T32 F36 F72 | D29-K31 VanDerWaalsContact OD1-CB 3.27Å; D29-K31 WeakPolarHBondContact OD1-CB 3.36Å; D29-K31 VanDerWaalsContact OD1-CG 3.3Å; D29-K31 WeakPolarHBondContact OD1-CG 3.36Å; D29-K31 PolarHBondContact OD1-N 3.12Å; D29-T32 WeakPolarHBondContact OD2-CB 3.25Å; D29-T32 WeakPolarHBondContact OD2-CG2 3.3Å; D29-T32 PolarHBondContact OD2-N 3.27Å; D29-T32 PolarHBondContact OD2-OG1 2.83Å; D29-F36 PolarHBondContact N-O 3.43Å; D29-F72 HydrophobicContact CB-CD1 4.16Å; D29-F72 HydrophobicContact CB-CD2 3.67Å; D29-F72 HydrophobicContact CB-CE1 4.1Å; D29-F72 HydrophobicContact CB-CE2 3.61Å; D29-F72 HydrophobicContact CB-CG 3.95Å; D29-F72 HydrophobicContact CB-CZ 3.83Å |
| 30 | I | 58.3 | Low | 59 | Low | 161 Ų | 161 | 85.9 Ų | 85.9 | 83% | 0.826 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -96.4 | -20.1 | 176.2 | -51.2 | 175.6 | 0 | 0 | 0 | 109.9 | T32 | I30-T32 PolarHBondContact O-N 3.16Š|
| 31 | K | 52.6 | Low | 61.9 | Low | 150 Ų | 150 | 76.8 Ų | 76.8 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.7 | -175 | -58.9 | 164.2 | 179.4 | 167 | 0 | 112.9 | D29 E75 | D29-K31 VanDerWaalsContact OD1-CB 3.27Å; D29-K31 WeakPolarHBondContact OD1-CB 3.36Å; D29-K31 VanDerWaalsContact OD1-CG 3.3Å; D29-K31 WeakPolarHBondContact OD1-CG 3.36Å; D29-K31 PolarHBondContact OD1-N 3.12Å; K31-E75 IonicContact NZ-OE1 2.78Å; K31-E75 PolarHBondContact NZ-OE1 2.75Å; K31-E75 IonicContact NZ-OE2 3.63Å; K31-E75 PolarHBondContact NZ-OE2 3.44Å |
| 32 | T | 50.1 | Low | 64.2 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.1 | -167.3 | 42.1 | 0 | 0 | 0 | 0 | 115.7 | D29 I30 R34 | D29-T32 WeakPolarHBondContact OD2-CB 3.25Å; D29-T32 WeakPolarHBondContact OD2-CG2 3.3Å; D29-T32 PolarHBondContact OD2-N 3.27Å; D29-T32 PolarHBondContact OD2-OG1 2.83Å; I30-T32 PolarHBondContact O-N 3.16Å; T32-R34 PolarHBondContact O-N 3.37Å |
| 33 | G | 44 | Very low | 66.6 | Low | 74 Ų | 74 | 72.4 Ų | 72.4 | 76% | 0.763 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 68.6 | -13.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 34 | R | 53.6 | Low | 68.9 | Low | 217 Ų | 217 | 72.7 Ų | 72.7 | 82% | 0.819 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -103.7 | 134.2 | 162.9 | -65.4 | -179 | 177.2 | -178.2 | -1.3 | 107.7 | T32 F36 | T32-R34 PolarHBondContact O-N 3.37Å; R34-F36 VanDerWaalsContact C-N 3.28Å; R34-F36 PolarHBondContact O-N 3.11Å |
| 35 | N | 58.5 | Low | 70.6 | Confident | 131 Ų | 131 | 68.2 Ų | 68.2 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | trans | -68.3 | 78.1 | -177.3 | -68.3 | -8.8 | 0 | 0 | 0 | 112 | C37 | N35-C37 PolarHBondContact O-N 2.95Å; N35-C37 VanDerWaalsContact O-N 3.11Å | ||
| 36 | F | 74.2 | Confident | 72.2 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 90.1 | 170.8 | -171.4 | -115 | 0 | 0 | 0 | 109 | C28 D29 R34 L38 L62 Q69 F72 | C28-F36 WeakPolarHBondContact CA-O 3.49Å; D29-F36 PolarHBondContact N-O 3.43Å; R34-F36 VanDerWaalsContact C-N 3.28Å; R34-F36 PolarHBondContact O-N 3.11Å; F36-L38 HydrophobicContact CD1-CD2 4.35Å; F36-L38 HydrophobicContact CE1-CD2 3.74Å; F36-L38 HydrophobicContact CE1-CG 4.42Å; F36-L38 HydrophobicContact CZ-CD2 3.91Å; F36-L62 HydrophobicContact CE2-CD1 3.94Å; F36-L62 HydrophobicContact CZ-CD1 3.73Å; F36-L62 HydrophobicContact CZ-CD2 4.41Å; F36-L62 HydrophobicContact CZ-CG 4.36Å; F36-Q69 HydrophobicContact CD1-CB 4.22Å; F36-Q69 HydrophobicContact CD1-CG 3.84Å; F36-Q69 HydrophobicContact CD2-CG 3.82Å; F36-Q69 HydrophobicContact CE1-CB 3.62Å; F36-Q69 HydrophobicContact CE1-CG 3.69Å; F36-Q69 HydrophobicContact CE2-CB 4.13Å; F36-Q69 HydrophobicContact CE2-CG 3.68Å; F36-Q69 HydrophobicContact CG-CG 3.89Å; F36-Q69 HydrophobicContact CZ-CB 3.56Å; F36-Q69 HydrophobicContact CZ-CG 3.61Å; F36-F72 AromaticContact CD1-CD1 3.75Å; F36-F72 HydrophobicContact CD1-CD1 3.75Å; F36-F72 HydrophobicContact CD1-CE1 4.44Å; F36-F72 HydrophobicContact CE1-CD1 4.06Å |
| 37 | C | 78.7 | Confident | 73.3 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.6 | -179.6 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | C28 N35 | C28-C37 HydrophobicContact CB-CB 4.01Å; C28-C37 WeakPolarHBondContact CB-SG 3.28Å; C28-C37 VanDerWaalsContact SG-CA 3.6Å; C28-C37 WeakPolarHBondContact SG-CB 3.38Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.49Å; N35-C37 PolarHBondContact O-N 2.95Å; N35-C37 VanDerWaalsContact O-N 3.11Å |
| 38 | L | 84.2 | Confident | 74.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.7 | 172.1 | -56.6 | -175.5 | 0 | 0 | 0 | 109.2 | I26 K27 F36 L62 F72 L73 F76 V147 | I26-L38 WeakPolarHBondContact CA-O 3.43Å; K27-L38 PolarHBondContact N-O 3.18Å; K27-L38 PolarHBondContact O-N 3.35Å; F36-L38 HydrophobicContact CD1-CD2 4.35Å; F36-L38 HydrophobicContact CE1-CD2 3.74Å; F36-L38 HydrophobicContact CE1-CG 4.42Å; F36-L38 HydrophobicContact CZ-CD2 3.91Å; L38-L62 HydrophobicContact CD2-CD1 3.31Å; L38-L62 HydrophobicContact CD2-CD2 3.54Å; L38-L62 HydrophobicContact CD2-CG 4.05Å; L38-F72 HydrophobicContact CD1-CD1 3.73Å; L38-F72 HydrophobicContact CD1-CE1 3.74Å; L38-F72 HydrophobicContact CG-CD1 4.09Å; L38-F72 HydrophobicContact CG-CE1 3.85Å; L38-L73 HydrophobicContact CD1-CD1 3.93Å; L38-F76 HydrophobicContact CB-CD2 4.41Å; L38-F76 HydrophobicContact CD1-CB 3.89Å; L38-F76 HydrophobicContact CD1-CD2 4.02Å; L38-F76 HydrophobicContact CD1-CG 3.96Å; L38-V147 HydrophobicContact CB-CG1 3.81Å; L38-V147 HydrophobicContact CD2-CG1 3.9Å; L38-V147 HydrophobicContact CG-CG1 4.3Å |
| 39 | Q | 85.1 | Confident | 74.6 | Confident | 28 Ų | 28 | 67 Ų | 67 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.2 | 168.6 | -177 | 172 | -29 | 0 | 0 | 109.1 | I24 I26 F41 L59 V147 C148 | I24-Q39 HydrophobicContact CG2-CG 3.7Å; I26-Q39 HydrophobicContact CD1-CG 4.5Å; I26-Q39 HydrophobicContact CG1-CB 4.13Å; I26-Q39 HydrophobicContact CG1-CG 3.84Å; Q39-F41 HydrophobicContact CB-CE2 4.27Å; Q39-F41 HydrophobicContact CG-CD2 4.37Å; Q39-F41 HydrophobicContact CG-CE2 3.63Å; Q39-F41 HydrophobicContact CG-CZ 4.06Å; Q39-L59 HydrophobicContact CB-CD1 4.25Å; Q39-V147 WeakPolarHBondContact O-CA 3.17Å; Q39-C148 PolarHBondContact N-O 3.19Å; Q39-C148 PolarHBondContact O-N 3.1Å |
| 40 | Y | 85.8 | Confident | 75.6 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.3 | -176.9 | 175.8 | -122.6 | 0 | 0 | 0 | 112.5 | E25 P42 F76 F80 I84 S145 F146 V147 | E25-Y40 PolarHBondContact O-N 3.43Å; Y40-P42 HydrophobicContact CD1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CB 3.77Å; Y40-F76 HydrophobicContact CD1-CE1 4.24Å; Y40-F76 HydrophobicContact CD1-CZ 4.21Å; Y40-F76 HydrophobicContact CD2-CE1 4.2Å; Y40-F76 AromaticContact CG-CE1 3.82Å; Y40-F76 HydrophobicContact CG-CE1 3.82Å; Y40-F76 AromaticContact CG-CZ 3.89Å; Y40-F76 HydrophobicContact CG-CZ 3.89Å; Y40-F80 HydrophobicContact CD1-CE1 4.43Å; Y40-F80 HydrophobicContact CD1-CZ 4.09Å; Y40-F80 HydrophobicContact CE1-CE1 4.36Å; Y40-F80 HydrophobicContact CE1-CZ 4.34Å; Y40-I84 HydrophobicContact CD1-CD1 4.18Å; Y40-I84 HydrophobicContact CD2-CD1 4.36Å; Y40-I84 HydrophobicContact CE1-CD1 3.61Å; Y40-I84 HydrophobicContact CE2-CD1 3.82Å; Y40-I84 VanDerWaalsContact CZ-CD1 3.41Å; Y40-S145 WeakPolarHBondContact OH-CB 3.35Å; Y40-S145 PolarHBondContact OH-OG 3.41Å; Y40-S145 VanDerWaalsContact OH-OG 3.11Å; Y40-F146 WeakPolarHBondContact CD2-O 3.24Å; Y40-V147 HydrophobicContact CD2-CG2 3.9Å |
| 41 | F | 87.5 | Confident | 77 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.6 | 176.1 | -67 | -99.2 | 0 | 0 | 0 | 108.4 | Q39 H43 E53 H57 S145 F146 C148 | Q39-F41 HydrophobicContact CB-CE2 4.27Å; Q39-F41 HydrophobicContact CG-CD2 4.37Å; Q39-F41 HydrophobicContact CG-CE2 3.63Å; Q39-F41 HydrophobicContact CG-CZ 4.06Å; F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 AromaticContact CD1-CE1 3.82Å; F41-H43 PolarHBondContact O-N 3.32Å; F41-E53 WeakPolarHBondContact CD1-OE1 3.28Å; F41-E53 HydrophobicContact CE1-CG 4.47Å; F41-H57 AromaticContact CE1-CD2 3.85Å; F41-H57 AromaticContact CE1-NE2 3.72Å; F41-H57 AromaticContact CZ-CD2 3.55Å; F41-H57 AromaticContact CZ-NE2 3.84Å; F41-S145 VanDerWaalsContact O-CB 3.23Å; F41-S145 WeakPolarHBondContact O-CB 3.23Å; F41-F146 HydrophobicContact CB-CD1 3.93Å; F41-F146 HydrophobicContact CB-CD2 4.02Å; F41-F146 HydrophobicContact CB-CE1 3.52Å; F41-F146 HydrophobicContact CB-CE2 3.63Å; F41-F146 HydrophobicContact CB-CG 4.15Å; F41-F146 HydrophobicContact CB-CZ 3.35Å; F41-F146 HydrophobicContact CD1-CE2 4.13Å; F41-F146 AromaticContact CD1-CZ 3.88Å; F41-F146 HydrophobicContact CD1-CZ 3.88Å; F41-F146 AromaticContact CD2-CD2 3.93Å; F41-F146 HydrophobicContact CD2-CD2 3.93Å; F41-F146 AromaticContact CD2-CE2 3.47Å; F41-F146 HydrophobicContact CD2-CE2 3.47Å; F41-F146 VanDerWaalsContact CD2-CE2 3.47Å; F41-F146 HydrophobicContact CD2-CZ 4.01Å; F41-F146 HydrophobicContact CE2-CE2 4.11Å; F41-F146 HydrophobicContact CG-CD2 4.16Å; F41-F146 HydrophobicContact CG-CE1 4.19Å; F41-F146 AromaticContact CG-CE2 3.48Å; F41-F146 HydrophobicContact CG-CE2 3.48Å; F41-F146 VanDerWaalsContact CG-CE2 3.48Å; F41-F146 AromaticContact CG-CZ 3.49Å; F41-F146 HydrophobicContact CG-CZ 3.49Å; F41-F146 VanDerWaalsContact CG-CZ 3.49Å; F41-F146 PolarHBondContact N-O 3.45Å; F41-F146 PolarHBondContact O-N 3.02Å; F41-C148 HydrophobicContact CE2-CB 4.03Å; F41-C148 WeakPolarHBondContact CE2-SG 3.18Å |
| 42 | P | 80.7 | Confident | 78.4 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -9.8 | -171.5 | 29.9 | -35.6 | 0 | 0 | 0 | 114.4 | Y40 | Y40-P42 HydrophobicContact CD1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CB 3.77Å |
| 43 | H | 83.3 | Confident | 80.1 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.3 | 175.3 | 59.6 | -90.3 | 0 | 0 | 0 | 112.1 | F41 E53 S145 F146 | F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 AromaticContact CD1-CE1 3.82Å; F41-H43 PolarHBondContact O-N 3.32Å; H43-E53 IonicContact CD2-OE2 3.98Å; H43-E53 IonicContact CE1-OE1 3.66Å; H43-E53 PolarHBondContact CE1-OE1 3.47Å; H43-E53 IonicContact CE1-OE2 3.34Å; H43-E53 IonicContact NE2-OE1 3.57Å; H43-E53 PolarHBondContact NE2-OE1 3.12Å; H43-E53 VanDerWaalsContact NE2-OE1 3.07Å; H43-E53 IonicContact NE2-OE2 2.68Å; H43-E53 PolarHBondContact NE2-OE2 3.47Å; H43-S145 WeakPolarHBondContact O-CA 3.49Å; H43-F146 AromaticContact CD2-CE1 3.98Å; H43-F146 AromaticContact NE2-CE1 3.63Å; H43-F146 AromaticContact NE2-CZ 3.84Å |
| 44 | A | 84.2 | Confident | 82.2 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K143 L144 | A44-K143 HydrophobicContact CB-CB 3.89Å; A44-L144 CarbonylContact C-O 3.45Å; A44-L144 WeakPolarHBondContact CA-O 3.39Å |
| 45 | A | 86.7 | Confident | 83.6 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 156.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D49 A50 W88 K143 L144 F146 | A45-D49 HydrophobicContact CB-CB 4.11Å; A45-A50 HydrophobicContact CB-CB 4.13Å; A45-W88 PolarHBondContact O-NE1 3.44Å; A45-K143 WeakPolarHBondContact O-CA 3.21Å; A45-L144 PolarHBondContact N-O 2.66Å; A45-L144 PolarHBondContact O-N 2.88Å; A45-L144 VanDerWaalsContact O-N 3.16Å; A45-F146 HydrophobicContact CB-CD1 3.84Å; A45-F146 HydrophobicContact CB-CE1 3.61Å |
| 46 | T | 89.1 | Confident | 84.6 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | trans | -70.9 | 161.7 | 167.5 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | K48 D49 A50 S142 K143 | T46-K48 PolarHBondContact O-N 3.5Å; T46-D49 WeakPolarHBondContact CB-OD2 3.39Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.38Å; T46-D49 PolarHBondContact N-OD2 2.82Å; T46-D49 PolarHBondContact O-N 2.89Å; T46-D49 PolarHBondContact OG1-N 3.23Å; T46-D49 VanDerWaalsContact OG1-N 3.15Å; T46-D49 PolarHBondContact OG1-OD2 3.18Å; T46-A50 VanDerWaalsContact O-CB 3.26Å; T46-A50 WeakPolarHBondContact O-CB 3.05Å; T46-A50 PolarHBondContact O-N 2.04Å; T46-S142 WeakPolarHBondContact CA-O 3.43Å; T46-K143 HydrophobicContact CG2-CG 4.05Å | ||
| 47 | F | 91.3 | Very high | 84.8 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.9 | -37.9 | 177.2 | -179 | -85.4 | 0 | 0 | 0 | 111.8 | Q51 L61 W88 I89 F92 C122 C140 | F47-Q51 WeakPolarHBondContact O-CB 3.24Å; F47-Q51 PolarHBondContact O-N 3.36Å; F47-L61 HydrophobicContact CD1-CD1 4.38Å; F47-L61 HydrophobicContact CD2-CD1 3.9Å; F47-L61 HydrophobicContact CE1-CD1 4.26Å; F47-L61 HydrophobicContact CE2-CD1 3.79Å; F47-L61 HydrophobicContact CG-CD1 4.21Å; F47-L61 HydrophobicContact CZ-CD1 3.96Å; F47-W88 HydrophobicContact CB-CD2 4.36Å; F47-W88 HydrophobicContact CB-CH2 4.42Å; F47-W88 HydrophobicContact CB-CZ2 4.05Å; F47-W88 HydrophobicContact CD2-CD2 4.35Å; F47-W88 HydrophobicContact CD2-CE3 4.22Å; F47-I89 VanDerWaalsContact CE2-O 3.26Å; F47-I89 WeakPolarHBondContact CE2-O 3.05Å; F47-F92 HydrophobicContact CE1-CB 4.1Å; F47-F92 HydrophobicContact CE1-CD1 4.12Å; F47-F92 HydrophobicContact CE1-CG 4.13Å; F47-F92 HydrophobicContact CE2-CB 4.16Å; F47-F92 HydrophobicContact CZ-CB 3.7Å; F47-F92 AromaticContact CZ-CD1 3.77Å; F47-F92 HydrophobicContact CZ-CD1 3.77Å; F47-F92 AromaticContact CZ-CG 3.96Å; F47-F92 HydrophobicContact CZ-CG 3.96Å; F47-C122 HydrophobicContact CB-CB 4Å; F47-C122 VanDerWaalsContact CD1-SG 3.52Å; F47-C122 HydrophobicContact CD2-CB 3.5Å; F47-C122 VanDerWaalsContact CD2-SG 3.56Å; F47-C122 HydrophobicContact CE2-CB 4.03Å; F47-C122 HydrophobicContact CG-CB 3.8Å; F47-C122 WeakPolarHBondContact CG-SG 3.34Å; F47-C140 HydrophobicContact CB-CB 4.12Å; F47-C140 PolarHBondContact N-O 2.93Å |
| 48 | K | 87 | Confident | 84.8 | Confident | 148 Ų | 148 | 58.4 Ų | 58.4 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70.9 | -43.1 | 179.5 | -169.3 | 174.1 | -177.1 | 176 | 0 | 112.2 | T46 A50 Q51 I52 | T46-K48 PolarHBondContact O-N 3.5Å; K48-A50 VanDerWaalsContact C-N 3.33Å; K48-Q51 PolarHBondContact O-N 3.49Å; K48-I52 HydrophobicContact CG-CD1 4.46Å; K48-I52 WeakPolarHBondContact O-CG1 3.41Å; K48-I52 PolarHBondContact O-N 3.41Å; K48-I52 VanDerWaalsContact O-N 3.1Å |
| 49 | D | 86.1 | Confident | 84.7 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 173.5 | -58.2 | -36.6 | 0 | 0 | 0 | 110.2 | A45 T46 Q51 I52 E53 | A45-D49 HydrophobicContact CB-CB 4.11Å; T46-D49 WeakPolarHBondContact CB-OD2 3.39Å; T46-D49 WeakPolarHBondContact CG2-OD2 3.38Å; T46-D49 PolarHBondContact N-OD2 2.82Å; T46-D49 PolarHBondContact O-N 2.89Å; T46-D49 PolarHBondContact OG1-N 3.23Å; T46-D49 VanDerWaalsContact OG1-N 3.15Å; T46-D49 PolarHBondContact OG1-OD2 3.18Å; D49-Q51 PolarHBondContact O-N 2.98Å; D49-I52 WeakPolarHBondContact O-CB 3.48Å; D49-I52 PolarHBondContact O-N 3.1Å; D49-I52 VanDerWaalsContact O-N 3.1Å; D49-E53 PolarHBondContact O-N 3.03Å |
| 50 | A | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A45 T46 K48 I52 E53 C54 L61 F146 | A45-A50 HydrophobicContact CB-CB 4.13Å; T46-A50 VanDerWaalsContact O-CB 3.26Å; T46-A50 WeakPolarHBondContact O-CB 3.05Å; T46-A50 PolarHBondContact O-N 2.04Å; K48-A50 VanDerWaalsContact C-N 3.33Å; A50-I52 VanDerWaalsContact C-N 3.33Å; A50-E53 PolarHBondContact O-N 3.31Å; A50-C54 WeakPolarHBondContact O-CB 3.36Å; A50-C54 PolarHBondContact O-N 2.03Å; A50-C54 PolarHBondContact O-SG 3.47Å; A50-L61 HydrophobicContact CB-CD1 4.3Å; A50-L61 HydrophobicContact CB-CD2 3.88Å; A50-L61 HydrophobicContact CB-CG 4.45Å; A50-F146 HydrophobicContact CB-CB 4.06Å; A50-F146 HydrophobicContact CB-CD1 3.84Å; A50-F146 HydrophobicContact CB-CD2 3.73Å; A50-F146 HydrophobicContact CB-CE1 4.18Å; A50-F146 HydrophobicContact CB-CE2 4.06Å; A50-F146 HydrophobicContact CB-CG 3.61Å; A50-F146 HydrophobicContact CB-CZ 4.28Å |
| 51 | Q | 86.4 | Confident | 85 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 171.7 | -165.1 | -168.3 | 18.9 | 0 | 0 | 111.9 | F47 K48 D49 K55 L61 | F47-Q51 WeakPolarHBondContact O-CB 3.24Å; F47-Q51 PolarHBondContact O-N 3.36Å; K48-Q51 PolarHBondContact O-N 3.49Å; D49-Q51 PolarHBondContact O-N 2.98Å; Q51-K55 WeakPolarHBondContact O-CB 3.49Å; Q51-K55 WeakPolarHBondContact O-CG 3.4Å; Q51-K55 PolarHBondContact O-N 2.86Å; Q51-L61 HydrophobicContact CB-CD1 3.94Å |
| 52 | I | 83.5 | Confident | 85 | Confident | 83 Ų | 83 | 57 Ų | 57 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69 | -45.7 | 174.8 | -67.9 | 163.7 | 0 | 0 | 0 | 110.2 | K48 D49 A50 K55 Q56 | K48-I52 HydrophobicContact CG-CD1 4.46Å; K48-I52 WeakPolarHBondContact O-CG1 3.41Å; K48-I52 PolarHBondContact O-N 3.41Å; K48-I52 VanDerWaalsContact O-N 3.1Å; D49-I52 WeakPolarHBondContact O-CB 3.48Å; D49-I52 PolarHBondContact O-N 3.1Å; D49-I52 VanDerWaalsContact O-N 3.1Å; A50-I52 VanDerWaalsContact C-N 3.33Å; I52-K55 PolarHBondContact O-N 3.25Å; I52-Q56 WeakPolarHBondContact O-CG 3.38Å; I52-Q56 PolarHBondContact O-N 2.92Å |
| 53 | E | 84.9 | Confident | 85.2 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | -178.8 | -159.4 | 172.3 | 156.7 | 0 | 0 | 111.6 | F41 H43 D49 A50 K55 Q56 H57 F146 | F41-E53 WeakPolarHBondContact CD1-OE1 3.28Å; F41-E53 HydrophobicContact CE1-CG 4.47Å; H43-E53 IonicContact CD2-OE2 3.98Å; H43-E53 IonicContact CE1-OE1 3.66Å; H43-E53 PolarHBondContact CE1-OE1 3.47Å; H43-E53 IonicContact CE1-OE2 3.34Å; H43-E53 IonicContact NE2-OE1 3.57Å; H43-E53 PolarHBondContact NE2-OE1 3.12Å; H43-E53 VanDerWaalsContact NE2-OE1 3.07Å; H43-E53 IonicContact NE2-OE2 2.68Å; H43-E53 PolarHBondContact NE2-OE2 3.47Å; D49-E53 PolarHBondContact O-N 3.03Å; A50-E53 PolarHBondContact O-N 3.31Å; E53-K55 VanDerWaalsContact C-N 3.34Å; E53-K55 PolarHBondContact O-N 3.2Å; E53-Q56 PolarHBondContact O-N 2.75Å; E53-H57 PolarHBondContact O-CD2 2.91Å; E53-H57 PolarHBondContact O-N 3.28Å; E53-F146 HydrophobicContact CB-CE2 4.3Å; E53-F146 HydrophobicContact CB-CZ 4.07Å; E53-F146 HydrophobicContact CG-CZ 4.16Å; E53-F146 WeakPolarHBondContact OE2-CZ 3Å |
| 54 | C | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 170.6 | -64.8 | 0 | 0 | 0 | 0 | 112 | A50 Q56 H57 N58 L59 S60 L61 C148 | A50-C54 WeakPolarHBondContact O-CB 3.36Å; A50-C54 PolarHBondContact O-N 2.03Å; A50-C54 PolarHBondContact O-SG 3.47Å; C54-Q56 VanDerWaalsContact C-N 3.34Å; C54-Q56 PolarHBondContact O-N 2.82Å; C54-H57 CarbonylContact O-C 3.53Å; C54-H57 WeakPolarHBondContact O-CA 3.08Å; C54-H57 PolarHBondContact O-N 3.28Å; C54-N58 PolarHBondContact O-N 2.82Å; C54-L59 CarbonylContact C-O 3.59Å; C54-L59 HydrophobicContact CB-CB 4.41Å; C54-L59 CarbonylContact O-C 3.58Å; C54-L59 WeakPolarHBondContact O-CA 3.42Å; C54-L59 PolarHBondContact O-N 3.28Å; C54-L59 VanDerWaalsContact O-O 3.06Å; C54-S60 VanDerWaalsContact CB-C 3.49Å; C54-L61 PolarHBondContact SG-N 2.8Å; C54-C148 WeakPolarHBondContact CA-SG 2.99Å; C54-C148 HydrophobicContact CB-CB 3.81Å; C54-C148 WeakPolarHBondContact CB-SG 3.43Å; C54-C148 WeakPolarHBondContact SG-CB 3.27Å; C54-C148 CovalentContact SG-SG 2.03Å; C54-C148 PolarHBondContact SG-SG 3.04Å |
| 55 | K | 83.8 | Confident | 84.5 | Confident | 124 Ų | 124 | 48 Ų | 48 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.5 | -81 | 179 | 174.4 | 178.8 | 0 | 112.9 | Q51 I52 E53 H57 N58 L59 | Q51-K55 WeakPolarHBondContact O-CB 3.49Å; Q51-K55 WeakPolarHBondContact O-CG 3.4Å; Q51-K55 PolarHBondContact O-N 2.86Å; I52-K55 PolarHBondContact O-N 3.25Å; E53-K55 VanDerWaalsContact C-N 3.34Å; E53-K55 PolarHBondContact O-N 3.2Å; K55-H57 PolarHBondContact O-N 2.92Å; K55-N58 PolarHBondContact O-N 3.01Å; K55-L59 WeakPolarHBondContact CA-O 3.31Å; K55-L59 PolarHBondContact N-O 2.92Å |
| 56 | Q | 78.6 | Confident | 83.7 | Confident | 146 Ų | 146 | 50.2 Ų | 50.2 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.6 | -27.9 | 172.8 | -72.8 | 175.4 | 6.3 | 0 | 0 | 112.3 | I52 E53 C54 N58 | I52-Q56 WeakPolarHBondContact O-CG 3.38Å; I52-Q56 PolarHBondContact O-N 2.92Å; E53-Q56 PolarHBondContact O-N 2.75Å; C54-Q56 VanDerWaalsContact C-N 3.34Å; C54-Q56 PolarHBondContact O-N 2.82Å; Q56-N58 VanDerWaalsContact C-N 3.33Å |
| 57 | H | 79 | Confident | 82.7 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 43% | 0.431 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 11 | 171.8 | -74.8 | -72.2 | 0 | 0 | 0 | 114.3 | F41 E53 C54 K55 L59 | F41-H57 AromaticContact CE1-CD2 3.85Å; F41-H57 AromaticContact CE1-NE2 3.72Å; F41-H57 AromaticContact CZ-CD2 3.55Å; F41-H57 AromaticContact CZ-NE2 3.84Å; E53-H57 PolarHBondContact O-CD2 2.91Å; E53-H57 PolarHBondContact O-N 3.28Å; C54-H57 CarbonylContact O-C 3.53Å; C54-H57 WeakPolarHBondContact O-CA 3.08Å; C54-H57 PolarHBondContact O-N 3.28Å; K55-H57 PolarHBondContact O-N 2.92Å; H57-L59 HydrophobicContact CB-CD1 4.48Å; H57-L59 HydrophobicContact CB-CG 4.49Å; H57-L59 PolarHBondContact O-N 2.93Å |
| 58 | N | 77.5 | Confident | 81.8 | Confident | 152 Ų | 152 | 56.8 Ų | 56.8 | 81% | 0.813 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 19.7 | -171.9 | -73.5 | -24.5 | 0 | 0 | 0 | 115.1 | C54 K55 Q56 | C54-N58 PolarHBondContact O-N 2.82Å; K55-N58 PolarHBondContact O-N 3.01Å; Q56-N58 VanDerWaalsContact C-N 3.33Å |
| 59 | L | 83.8 | Confident | 81.4 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | trans | -106.6 | 175.2 | 176.5 | -61.4 | 176.3 | 0 | 0 | 0 | 111 | Q39 C54 K55 H57 C148 D150 | Q39-L59 HydrophobicContact CB-CD1 4.25Å; C54-L59 CarbonylContact C-O 3.59Å; C54-L59 HydrophobicContact CB-CB 4.41Å; C54-L59 CarbonylContact O-C 3.58Å; C54-L59 WeakPolarHBondContact O-CA 3.42Å; C54-L59 PolarHBondContact O-N 3.28Å; C54-L59 VanDerWaalsContact O-O 3.06Å; K55-L59 WeakPolarHBondContact CA-O 3.31Å; K55-L59 PolarHBondContact N-O 2.92Å; H57-L59 HydrophobicContact CB-CD1 4.48Å; H57-L59 HydrophobicContact CB-CG 4.49Å; H57-L59 PolarHBondContact O-N 2.93Å; L59-C148 HydrophobicContact CB-CB 3.85Å; L59-C148 HydrophobicContact CD1-CB 3.64Å; L59-C148 HydrophobicContact CG-CB 4.41Å; L59-D150 WeakPolarHBondContact CD2-OD1 3.42Å | ||
| 60 | S | 86.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 163.7 | 161.1 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | C54 S101 S102 C148 G149 | C54-S60 VanDerWaalsContact CB-C 3.49Å; S60-S101 PolarHBondContact OG-OG 2.9Å; S60-S101 VanDerWaalsContact OG-OG 3.06Å; S60-S102 PolarHBondContact OG-N 3.47Å; S60-C148 CarbonylContact O-C 3.6Å; S60-C148 WeakPolarHBondContact O-CA 3.47Å; S60-C148 WeakPolarHBondContact O-CB 3.4Å; S60-G149 PolarHBondContact N-O 2.83Å; S60-G149 PolarHBondContact O-N 3.44Å |
| 61 | L | 89.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 141.7 | 156.2 | -79.2 | 168.5 | 0 | 0 | 0 | 109.2 | F47 A50 Q51 C54 T63 W88 G90 F146 | F47-L61 HydrophobicContact CD1-CD1 4.38Å; F47-L61 HydrophobicContact CD2-CD1 3.9Å; F47-L61 HydrophobicContact CE1-CD1 4.26Å; F47-L61 HydrophobicContact CE2-CD1 3.79Å; F47-L61 HydrophobicContact CG-CD1 4.21Å; F47-L61 HydrophobicContact CZ-CD1 3.96Å; A50-L61 HydrophobicContact CB-CD1 4.3Å; A50-L61 HydrophobicContact CB-CD2 3.88Å; A50-L61 HydrophobicContact CB-CG 4.45Å; Q51-L61 HydrophobicContact CB-CD1 3.94Å; C54-L61 PolarHBondContact SG-N 2.8Å; L61-T63 PolarHBondContact O-N 3.03Å; L61-W88 HydrophobicContact CD2-CB 4.45Å; L61-G90 VanDerWaalsContact CB-CA 3.42Å; L61-F146 HydrophobicContact CD2-CB 4.04Å; L61-F146 HydrophobicContact CD2-CD2 4.05Å; L61-F146 HydrophobicContact CD2-CG 4.43Å |
| 62 | L | 88.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 123.7 | -164 | -175.6 | 65.4 | 0 | 0 | 0 | 113 | F36 L38 V64 L73 I89 G90 W100 V147 | F36-L62 HydrophobicContact CE2-CD1 3.94Å; F36-L62 HydrophobicContact CZ-CD1 3.73Å; F36-L62 HydrophobicContact CZ-CD2 4.41Å; F36-L62 HydrophobicContact CZ-CG 4.36Å; L38-L62 HydrophobicContact CD2-CD1 3.31Å; L38-L62 HydrophobicContact CD2-CD2 3.54Å; L38-L62 HydrophobicContact CD2-CG 4.05Å; L62-V64 HydrophobicContact CD2-CG2 3.73Å; L62-V64 HydrophobicContact CG-CG2 3.82Å; L62-L73 HydrophobicContact CD2-CD1 3.87Å; L62-L73 HydrophobicContact CD2-CD2 3.99Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; L62-I89 HydrophobicContact CD2-CG2 4.41Å; L62-G90 PolarHBondContact O-N 3.26Å; L62-W100 VanDerWaalsContact O-CZ3 3.31Å; L62-W100 WeakPolarHBondContact O-CZ3 3.37Å; L62-V147 HydrophobicContact CB-CB 4.39Å; L62-V147 HydrophobicContact CB-CG1 4.26Å; L62-V147 WeakPolarHBondContact CB-O 3.37Å; L62-V147 HydrophobicContact CD2-CB 4.47Å; L62-V147 HydrophobicContact CD2-CG1 4.04Å; L62-V147 PolarHBondContact N-O 2.85Å |
| 63 | T | 83.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 122.3 | 170.9 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | L61 W100 S102 Y104 P152 | L61-T63 PolarHBondContact O-N 3.03Å; T63-W100 HydrophobicContact CG2-CB 4.48Å; T63-W100 HydrophobicContact CG2-CD2 3.77Å; T63-W100 HydrophobicContact CG2-CE3 4.01Å; T63-W100 HydrophobicContact CG2-CG 3.99Å; T63-S102 VanDerWaalsContact OG1-CB 3.28Å; T63-S102 WeakPolarHBondContact OG1-CB 3.37Å; T63-S102 PolarHBondContact OG1-OG 2.66Å; T63-Y104 HydrophobicContact CG2-CD1 3.92Å; T63-Y104 HydrophobicContact CG2-CG 3.96Å; T63-P152 HydrophobicContact CG2-CG 3.8Å |
| 64 | V | 80.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -114.6 | 97.8 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | L62 Q69 Q70 L73 W100 P108 W135 | L62-V64 HydrophobicContact CD2-CG2 3.73Å; L62-V64 HydrophobicContact CG-CG2 3.82Å; V64-Q69 HydrophobicContact CG1-CB 3.82Å; V64-Q70 HydrophobicContact CG1-CB 4.01Å; V64-L73 HydrophobicContact CG2-CD2 4.38Å; V64-W100 HydrophobicContact CB-CH2 3.98Å; V64-W100 VanDerWaalsContact N-CH2 3.26Å; V64-W100 WeakPolarHBondContact O-CZ2 3.16Å; V64-P108 WeakPolarHBondContact O-CG 3.49Å; V64-W135 HydrophobicContact CB-CH2 4.06Å; V64-W135 HydrophobicContact CB-CZ2 3.58Å; V64-W135 HydrophobicContact CG1-CH2 4.34Å; V64-W135 HydrophobicContact CG1-CZ2 3.67Å; V64-W135 HydrophobicContact CG2-CZ2 4.35Å; V64-W135 WeakPolarHBondContact O-CH2 3.37Å | ||
| 65 | S | 72.3 | Confident | 79.9 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | trans | -91.8 | -21.1 | -176 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | Q69 | S65-Q69 PolarHBondContact OG-OE1 2.8Š| ||
| 66 | T | 70.6 | Confident | 79.9 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -131.4 | 158.3 | -175.6 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | S68 Q69 Q70 | T66-S68 VanDerWaalsContact C-N 3.32Å; T66-S68 PolarHBondContact O-N 2.91Å; T66-S68 PolarHBondContact OG1-OG 3.47Å; T66-Q69 VanDerWaalsContact N-OE1 3.11Å; T66-Q69 WeakPolarHBondContact O-CB 3.28Å; T66-Q69 PolarHBondContact O-N 2.79Å; T66-Q69 VanDerWaalsContact O-N 3.15Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.44Å; T66-Q69 PolarHBondContact OG1-N 3.04Å; T66-Q70 PolarHBondContact O-N 3.02Å; T66-Q70 VanDerWaalsContact O-N 3.14Å |
| 67 | K | 68.1 | Low | 80.1 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 173.2 | -172.9 | 168 | 172.6 | 176.5 | 0 | 112.7 | Q69 Q70 E71 F111 E241 | K67-Q69 VanDerWaalsContact C-N 3.32Å; K67-Q69 PolarHBondContact O-N 3.37Å; K67-Q70 PolarHBondContact O-N 3.36Å; K67-E71 WeakPolarHBondContact O-CG 3.36Å; K67-E71 PolarHBondContact O-N 2.79Å; K67-F111 HydrophobicContact CB-CE1 4.18Å; K67-F111 HydrophobicContact CB-CZ 3.99Å; K67-F111 HydrophobicContact CG-CE1 4.26Å; K67-E241 WeakPolarHBondContact CD-OE1 3.26Å; K67-E241 IonicContact NZ-OE1 3.76Å; K67-E241 PolarHBondContact NZ-OE1 2.58Å |
| 68 | S | 70.7 | Confident | 80.1 | Confident | 58 Ų | 58 | 39.1 Ų | 39.1 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 174.1 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | T66 E71 F72 | T66-S68 VanDerWaalsContact C-N 3.32Å; T66-S68 PolarHBondContact O-N 2.91Å; T66-S68 PolarHBondContact OG1-OG 3.47Å; S68-E71 PolarHBondContact O-N 3.27Å; S68-F72 WeakPolarHBondContact O-CB 3.29Å; S68-F72 PolarHBondContact O-N 2.92Å |
| 69 | Q | 79.5 | Confident | 80 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 174.7 | -71.7 | 171.5 | -21.1 | 0 | 0 | 111.8 | F36 V64 S65 T66 K67 F72 L73 | F36-Q69 HydrophobicContact CD1-CB 4.22Å; F36-Q69 HydrophobicContact CD1-CG 3.84Å; F36-Q69 HydrophobicContact CD2-CG 3.82Å; F36-Q69 HydrophobicContact CE1-CB 3.62Å; F36-Q69 HydrophobicContact CE1-CG 3.69Å; F36-Q69 HydrophobicContact CE2-CB 4.13Å; F36-Q69 HydrophobicContact CE2-CG 3.68Å; F36-Q69 HydrophobicContact CG-CG 3.89Å; F36-Q69 HydrophobicContact CZ-CB 3.56Å; F36-Q69 HydrophobicContact CZ-CG 3.61Å; V64-Q69 HydrophobicContact CG1-CB 3.82Å; S65-Q69 PolarHBondContact OG-OE1 2.8Å; T66-Q69 VanDerWaalsContact N-OE1 3.11Å; T66-Q69 WeakPolarHBondContact O-CB 3.28Å; T66-Q69 PolarHBondContact O-N 2.79Å; T66-Q69 VanDerWaalsContact O-N 3.15Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.44Å; T66-Q69 PolarHBondContact OG1-N 3.04Å; K67-Q69 VanDerWaalsContact C-N 3.32Å; K67-Q69 PolarHBondContact O-N 3.37Å; Q69-F72 PolarHBondContact O-N 2.63Å; Q69-L73 PolarHBondContact O-N 2.94Å |
| 70 | Q | 80 | Confident | 79.6 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -37.9 | 174.1 | -177.1 | 62.5 | 7.7 | 0 | 0 | 112.3 | V64 T66 K67 F72 L73 R74 F111 S133 W135 | V64-Q70 HydrophobicContact CG1-CB 4.01Å; T66-Q70 PolarHBondContact O-N 3.02Å; T66-Q70 VanDerWaalsContact O-N 3.14Å; K67-Q70 PolarHBondContact O-N 3.36Å; Q70-F72 VanDerWaalsContact C-N 3.35Å; Q70-L73 PolarHBondContact O-N 2.8Å; Q70-R74 PolarHBondContact O-N 3.22Å; Q70-F111 HydrophobicContact CB-CD1 3.93Å; Q70-F111 HydrophobicContact CB-CE1 3.87Å; Q70-F111 HydrophobicContact CB-CG 4.39Å; Q70-F111 HydrophobicContact CB-CZ 4.28Å; Q70-F111 HydrophobicContact CG-CD1 3.65Å; Q70-F111 HydrophobicContact CG-CE1 4.08Å; Q70-F111 HydrophobicContact CG-CG 4.1Å; Q70-S133 PolarHBondContact NE2-O 3.5Å; Q70-S133 PolarHBondContact NE2-OG 3.28Å; Q70-W135 VanDerWaalsContact CD-NE1 3.3Å |
| 71 | E | 76.5 | Confident | 78.7 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 174.2 | -69 | -160.7 | 121 | 0 | 0 | 112.5 | K67 S68 R74 E75 | K67-E71 WeakPolarHBondContact O-CG 3.36Å; K67-E71 PolarHBondContact O-N 2.79Å; S68-E71 PolarHBondContact O-N 3.27Å; E71-R74 WeakPolarHBondContact O-CB 3.1Å; E71-R74 PolarHBondContact O-N 2.81Å; E71-R74 IonicContact OE1-CZ 3.7Å; E71-R74 IonicContact OE1-NH1 3.8Å; E71-R74 IonicContact OE1-NH2 2.82Å; E71-R74 PolarHBondContact OE1-NH2 3.24Å; E71-E75 PolarHBondContact O-N 2.87Å |
| 72 | F | 82.5 | Confident | 77.7 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 171.5 | -173.1 | -109.8 | 0 | 0 | 0 | 112.3 | K27 D29 F36 L38 S68 Q69 Q70 R74 E75 F76 | K27-F72 HydrophobicContact CG-CZ 4.18Å; D29-F72 HydrophobicContact CB-CD1 4.16Å; D29-F72 HydrophobicContact CB-CD2 3.67Å; D29-F72 HydrophobicContact CB-CE1 4.1Å; D29-F72 HydrophobicContact CB-CE2 3.61Å; D29-F72 HydrophobicContact CB-CG 3.95Å; D29-F72 HydrophobicContact CB-CZ 3.83Å; F36-F72 AromaticContact CD1-CD1 3.75Å; F36-F72 HydrophobicContact CD1-CD1 3.75Å; F36-F72 HydrophobicContact CD1-CE1 4.44Å; F36-F72 HydrophobicContact CE1-CD1 4.06Å; L38-F72 HydrophobicContact CD1-CD1 3.73Å; L38-F72 HydrophobicContact CD1-CE1 3.74Å; L38-F72 HydrophobicContact CG-CD1 4.09Å; L38-F72 HydrophobicContact CG-CE1 3.85Å; S68-F72 WeakPolarHBondContact O-CB 3.29Å; S68-F72 PolarHBondContact O-N 2.92Å; Q69-F72 PolarHBondContact O-N 2.63Å; Q70-F72 VanDerWaalsContact C-N 3.35Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.25Å; F72-E75 CarbonylContact O-C 3.58Å; F72-E75 PolarHBondContact O-N 2.81Å; F72-F76 WeakPolarHBondContact O-CB 3.43Å; F72-F76 PolarHBondContact O-N 3.5Å |
| 73 | L | 85.2 | Confident | 77 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 173.3 | -173.8 | 60.9 | 0 | 0 | 0 | 111.8 | L38 L62 V64 Q69 Q70 F76 Q77 L87 I89 S125 | L38-L73 HydrophobicContact CD1-CD1 3.93Å; L62-L73 HydrophobicContact CD2-CD1 3.87Å; L62-L73 HydrophobicContact CD2-CD2 3.99Å; L62-L73 HydrophobicContact CD2-CG 4.46Å; V64-L73 HydrophobicContact CG2-CD2 4.38Å; Q69-L73 PolarHBondContact O-N 2.94Å; Q70-L73 PolarHBondContact O-N 2.8Å; L73-F76 WeakPolarHBondContact O-CB 3.29Å; L73-F76 PolarHBondContact O-N 2.97Å; L73-Q77 WeakPolarHBondContact O-CG 3.42Å; L73-Q77 PolarHBondContact O-N 3.17Å; L73-L87 HydrophobicContact CD1-CD1 4.29Å; L73-L87 HydrophobicContact CD1-CD2 4.36Å; L73-I89 HydrophobicContact CD2-CG2 3.89Å; L73-S125 WeakPolarHBondContact CD2-OG 3.41Å |
| 74 | R | 81.2 | Confident | 76.9 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -51.6 | 169.1 | -178.7 | -171.3 | 60.4 | -161.7 | -11 | 111.7 | Q70 E71 F72 F76 Q77 T78 I127 G131 | Q70-R74 PolarHBondContact O-N 3.22Å; E71-R74 WeakPolarHBondContact O-CB 3.1Å; E71-R74 PolarHBondContact O-N 2.81Å; E71-R74 IonicContact OE1-CZ 3.7Å; E71-R74 IonicContact OE1-NH1 3.8Å; E71-R74 IonicContact OE1-NH2 2.82Å; E71-R74 PolarHBondContact OE1-NH2 3.24Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.25Å; R74-F76 PolarHBondContact O-N 3Å; R74-F76 VanDerWaalsContact O-N 3.12Å; R74-Q77 PolarHBondContact O-N 3.02Å; R74-T78 HydrophobicContact CG-CG2 4.25Å; R74-T78 WeakPolarHBondContact O-CG2 3.42Å; R74-T78 PolarHBondContact O-N 2.02Å; R74-T78 PolarHBondContact O-OG1 2.76Å; R74-T78 VanDerWaalsContact O-OG1 3.12Å; R74-I127 HydrophobicContact CG-CD1 4.38Å; R74-G131 WeakPolarHBondContact CD-O 3.36Å |
| 75 | E | 80.3 | Confident | 76.9 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.2 | -20 | 173.7 | -77.6 | -169.6 | -178.4 | 0 | 0 | 112.9 | K27 K31 E71 F72 | K27-E75 PolarHBondContact NZ-O 3.18Å; K31-E75 IonicContact NZ-OE1 2.78Å; K31-E75 PolarHBondContact NZ-OE1 2.75Å; K31-E75 IonicContact NZ-OE2 3.63Å; K31-E75 PolarHBondContact NZ-OE2 3.44Å; E71-E75 PolarHBondContact O-N 2.87Å; F72-E75 CarbonylContact O-C 3.58Å; F72-E75 PolarHBondContact O-N 2.81Å |
| 76 | F | 83.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -75.1 | -61.7 | 169.5 | -171.5 | -84.2 | 0 | 0 | 0 | 111.4 | K27 L38 Y40 F72 L73 R74 T78 K79 F80 I84 | K27-F76 HydrophobicContact CB-CD2 3.97Å; K27-F76 HydrophobicContact CB-CE2 3.78Å; K27-F76 HydrophobicContact CD-CD2 3.73Å; K27-F76 HydrophobicContact CD-CE2 3.98Å; K27-F76 HydrophobicContact CG-CD2 4.25Å; K27-F76 HydrophobicContact CG-CE2 4.44Å; L38-F76 HydrophobicContact CB-CD2 4.41Å; L38-F76 HydrophobicContact CD1-CB 3.89Å; L38-F76 HydrophobicContact CD1-CD2 4.02Å; L38-F76 HydrophobicContact CD1-CG 3.96Å; Y40-F76 HydrophobicContact CD1-CE1 4.24Å; Y40-F76 HydrophobicContact CD1-CZ 4.21Å; Y40-F76 HydrophobicContact CD2-CE1 4.2Å; Y40-F76 AromaticContact CG-CE1 3.82Å; Y40-F76 HydrophobicContact CG-CE1 3.82Å; Y40-F76 AromaticContact CG-CZ 3.89Å; Y40-F76 HydrophobicContact CG-CZ 3.89Å; F72-F76 WeakPolarHBondContact O-CB 3.43Å; F72-F76 PolarHBondContact O-N 3.5Å; L73-F76 WeakPolarHBondContact O-CB 3.29Å; L73-F76 PolarHBondContact O-N 2.97Å; R74-F76 PolarHBondContact O-N 3Å; R74-F76 VanDerWaalsContact O-N 3.12Å; F76-T78 VanDerWaalsContact C-N 3.35Å; F76-T78 PolarHBondContact O-N 2.78Å; F76-K79 PolarHBondContact O-N 3.11Å; F76-F80 HydrophobicContact CD1-CE2 4.04Å; F76-F80 AromaticContact CE1-CE2 3.5Å; F76-F80 HydrophobicContact CE1-CE2 3.5Å; F76-F80 AromaticContact CE1-CZ 3.94Å; F76-F80 HydrophobicContact CE1-CZ 3.94Å; F76-F80 HydrophobicContact CE2-CE2 4.39Å; F76-F80 AromaticContact CZ-CE2 3.67Å; F76-F80 HydrophobicContact CZ-CE2 3.67Å; F76-F80 AromaticContact CZ-CZ 3.73Å; F76-F80 HydrophobicContact CZ-CZ 3.73Å; F76-F80 WeakPolarHBondContact O-CD2 3.39Å; F76-I84 HydrophobicContact CD1-CD1 4.42Å; F76-I84 HydrophobicContact CE1-CD1 3.92Å |
| 77 | Q | 82.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | -175.9 | -75.8 | -177.3 | -103.4 | 0 | 0 | 113.6 | L73 R74 K79 I84 I85 L87 S125 I127 | L73-Q77 WeakPolarHBondContact O-CG 3.42Å; L73-Q77 PolarHBondContact O-N 3.17Å; R74-Q77 PolarHBondContact O-N 3.02Å; Q77-K79 VanDerWaalsContact C-N 3.3Å; Q77-K79 PolarHBondContact O-N 3.27Å; Q77-I84 HydrophobicContact CB-CB 4.34Å; Q77-I84 HydrophobicContact CG-CB 4.24Å; Q77-I84 HydrophobicContact CG-CG2 4.49Å; Q77-I84 PolarHBondContact NE2-O 3.01Å; Q77-I84 PolarHBondContact O-N 2.9Å; Q77-I85 PolarHBondContact NE2-O 3.11Å; Q77-L87 HydrophobicContact CG-CD2 3.45Å; Q77-L87 VanDerWaalsContact CG-CD2 3.45Å; Q77-L87 HydrophobicContact CG-CG 4.36Å; Q77-S125 PolarHBondContact NE2-O 2.86Å; Q77-S125 PolarHBondContact OE1-OG 3.35Å; Q77-I127 HydrophobicContact CB-CD1 3.43Å; Q77-I127 VanDerWaalsContact CB-CD1 3.43Å; Q77-I127 HydrophobicContact CB-CG1 4.22Å; Q77-I127 HydrophobicContact CG-CD1 4.45Å |
| 78 | T | 77.8 | Confident | 79.5 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.8 | -177.6 | 60 | 0 | 0 | 0 | 0 | 114.8 | R74 F76 I127 | R74-T78 HydrophobicContact CG-CG2 4.25Å; R74-T78 WeakPolarHBondContact O-CG2 3.42Å; R74-T78 PolarHBondContact O-N 2.02Å; R74-T78 PolarHBondContact O-OG1 2.76Å; R74-T78 VanDerWaalsContact O-OG1 3.12Å; F76-T78 VanDerWaalsContact C-N 3.35Å; F76-T78 PolarHBondContact O-N 2.78Å; T78-I127 HydrophobicContact CG2-CD1 3.51Å |
| 79 | K | 77 | Confident | 80.4 | Confident | 142 Ų | 142 | 53 Ų | 53 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.2 | -173.8 | -155.9 | -162.8 | 166.3 | -159.9 | 0 | 113.5 | F76 Q77 | F76-K79 PolarHBondContact O-N 3.11Å; Q77-K79 VanDerWaalsContact C-N 3.3Å; Q77-K79 PolarHBondContact O-N 3.27Å |
| 80 | F | 74.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.219 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -85.1 | 149.9 | 177.5 | -67 | -96.2 | 0 | 0 | 0 | 110.7 | E25 Y40 F76 P82 P83 I84 | E25-F80 WeakPolarHBondContact OE2-CE1 3.38Å; E25-F80 VanDerWaalsContact OE2-CZ 3.31Å; E25-F80 WeakPolarHBondContact OE2-CZ 3.16Å; Y40-F80 HydrophobicContact CD1-CE1 4.43Å; Y40-F80 HydrophobicContact CD1-CZ 4.09Å; Y40-F80 HydrophobicContact CE1-CE1 4.36Å; Y40-F80 HydrophobicContact CE1-CZ 4.34Å; F76-F80 HydrophobicContact CD1-CE2 4.04Å; F76-F80 AromaticContact CE1-CE2 3.5Å; F76-F80 HydrophobicContact CE1-CE2 3.5Å; F76-F80 AromaticContact CE1-CZ 3.94Å; F76-F80 HydrophobicContact CE1-CZ 3.94Å; F76-F80 HydrophobicContact CE2-CE2 4.39Å; F76-F80 AromaticContact CZ-CE2 3.67Å; F76-F80 HydrophobicContact CZ-CE2 3.67Å; F76-F80 AromaticContact CZ-CZ 3.73Å; F76-F80 HydrophobicContact CZ-CZ 3.73Å; F76-F80 WeakPolarHBondContact O-CD2 3.39Å; F80-P82 VanDerWaalsContact C-C 3.45Å; F80-P82 CarbonylContact C-O 3.48Å; F80-P82 VanDerWaalsContact C-O 3.31Å; F80-P82 VanDerWaalsContact CB-O 3.32Å; F80-P82 WeakPolarHBondContact CB-O 3.22Å; F80-P82 CarbonylContact O-C 3.59Å; F80-P83 WeakPolarHBondContact O-CA 3.2Å; F80-I84 HydrophobicContact CB-CG1 4.18Å; F80-I84 HydrophobicContact CD1-CD1 4.33Å; F80-I84 HydrophobicContact CD2-CD1 3.32Å; F80-I84 HydrophobicContact CD2-CG1 3.78Å; F80-I84 HydrophobicContact CE1-CD1 4.39Å; F80-I84 HydrophobicContact CE2-CD1 3.41Å; F80-I84 VanDerWaalsContact CE2-CD1 3.41Å; F80-I84 HydrophobicContact CE2-CG1 4.36Å; F80-I84 HydrophobicContact CG-CD1 3.83Å; F80-I84 HydrophobicContact CG-CG1 3.92Å; F80-I84 HydrophobicContact CZ-CD1 3.97Å |
| 81 | E | 66.7 | Low | 81.2 | Confident | 197 Ų | 197 | 51 Ų | 51 | 92% | 0.921 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -120.8 | 108.3 | 170 | -71.1 | -168.3 | 145.8 | 0 | 0 | 109.2 | ||
| 82 | P | 68.5 | Low | 81.5 | Confident | 117 Ų | 117 | 48.6 Ų | 48.6 | 76% | 0.76 | 25% | 0.248 | S | C | * | . | S | Bend | cis | -67.7 | 156.2 | -6.3 | 31.3 | -36.4 | 0 | 0 | 0 | 113 | F80 | F80-P82 VanDerWaalsContact C-C 3.45Å; F80-P82 CarbonylContact C-O 3.48Å; F80-P82 VanDerWaalsContact C-O 3.31Å; F80-P82 VanDerWaalsContact CB-O 3.32Å; F80-P82 WeakPolarHBondContact CB-O 3.22Å; F80-P82 CarbonylContact O-C 3.59Å |
| 83 | P | 74.9 | Confident | 81 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | trans | -67.9 | 150.9 | -178.6 | 27.4 | -35.5 | 0 | 0 | 0 | 112.3 | F80 I85 | F80-P83 WeakPolarHBondContact O-CA 3.2Å; P83-I85 PolarHBondContact O-N 3.18Å | ||
| 84 | I | 81 | Confident | 79.8 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | trans | -76.3 | 99.1 | 179.8 | -57.1 | 164.7 | 0 | 0 | 0 | 108.8 | Y40 F76 Q77 F80 L87 | Y40-I84 HydrophobicContact CD1-CD1 4.18Å; Y40-I84 HydrophobicContact CD2-CD1 4.36Å; Y40-I84 HydrophobicContact CE1-CD1 3.61Å; Y40-I84 HydrophobicContact CE2-CD1 3.82Å; Y40-I84 VanDerWaalsContact CZ-CD1 3.41Å; F76-I84 HydrophobicContact CD1-CD1 4.42Å; F76-I84 HydrophobicContact CE1-CD1 3.92Å; Q77-I84 HydrophobicContact CB-CB 4.34Å; Q77-I84 HydrophobicContact CG-CB 4.24Å; Q77-I84 HydrophobicContact CG-CG2 4.49Å; Q77-I84 PolarHBondContact NE2-O 3.01Å; Q77-I84 PolarHBondContact O-N 2.9Å; F80-I84 HydrophobicContact CB-CG1 4.18Å; F80-I84 HydrophobicContact CD1-CD1 4.33Å; F80-I84 HydrophobicContact CD2-CD1 3.32Å; F80-I84 HydrophobicContact CD2-CG1 3.78Å; F80-I84 HydrophobicContact CE1-CD1 4.39Å; F80-I84 HydrophobicContact CE2-CD1 3.41Å; F80-I84 VanDerWaalsContact CE2-CD1 3.41Å; F80-I84 HydrophobicContact CE2-CG1 4.36Å; F80-I84 HydrophobicContact CG-CD1 3.83Å; F80-I84 HydrophobicContact CG-CG1 3.92Å; F80-I84 HydrophobicContact CZ-CD1 3.97Å; I84-L87 HydrophobicContact CG2-CB 4.29Å; I84-L87 HydrophobicContact CG2-CD2 4.05Å | ||
| 85 | I | 80.5 | Confident | 78.3 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 58% | 0.579 | 28% | 0.276 | S | S | * | . | trans | -63.6 | -47.8 | -176.8 | -57.3 | 175.8 | 0 | 0 | 0 | 111.1 | Q77 P83 N126 I127 | Q77-I85 PolarHBondContact NE2-O 3.11Å; P83-I85 PolarHBondContact O-N 3.18Å; I85-N126 CarbonylContact O-C 3.31Å; I85-N126 VanDerWaalsContact O-CA 3.29Å; I85-N126 WeakPolarHBondContact O-CA 3.46Å; I85-N126 PolarHBondContact O-OD1 3.06Å; I85-I127 PolarHBondContact O-N 3.42Å | ||
| 86 | A | 85 | Confident | 77.1 | Confident | 22 Ų | 22 | 51 Ų | 51 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M124 S125 L144 | A86-M124 HydrophobicContact CB-SD 3.68Å; A86-S125 WeakPolarHBondContact CA-O 3.48Å; A86-L144 HydrophobicContact CB-CD1 4.43Å; A86-L144 HydrophobicContact CB-CD2 4.27Å |
| 87 | L | 88.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.3 | 172.6 | 59.1 | 83.6 | 0 | 0 | 0 | 112 | L73 Q77 I84 I89 M124 S125 S145 V147 | L73-L87 HydrophobicContact CD1-CD1 4.29Å; L73-L87 HydrophobicContact CD1-CD2 4.36Å; Q77-L87 HydrophobicContact CG-CD2 3.45Å; Q77-L87 VanDerWaalsContact CG-CD2 3.45Å; Q77-L87 HydrophobicContact CG-CG 4.36Å; I84-L87 HydrophobicContact CG2-CB 4.29Å; I84-L87 HydrophobicContact CG2-CD2 4.05Å; L87-I89 HydrophobicContact CD1-CG2 3.81Å; L87-M124 CarbonylContact O-C 3.16Å; L87-M124 WeakPolarHBondContact O-CA 3.3Å; L87-M124 WeakPolarHBondContact O-CB 3.4Å; L87-S125 PolarHBondContact N-O 2.74Å; L87-S125 PolarHBondContact O-N 2.84Å; L87-S145 CarbonylContact C-O 3.46Å; L87-S145 WeakPolarHBondContact CA-O 3.02Å; L87-S145 WeakPolarHBondContact CB-O 3.38Å; L87-V147 HydrophobicContact CD1-CB 4.43Å; L87-V147 HydrophobicContact CD1-CG2 3.93Å; L87-V147 HydrophobicContact CD2-CG2 3.8Å; L87-V147 HydrophobicContact CG-CG2 4.4Å |
| 88 | W | 92.8 | Very high | 75.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135.9 | 172.1 | -71.1 | 131.1 | 0 | 0 | 0 | 112.2 | A45 F47 L61 C122 M124 I138 S142 L144 S145 F146 V147 | A45-W88 PolarHBondContact O-NE1 3.44Å; F47-W88 HydrophobicContact CB-CD2 4.36Å; F47-W88 HydrophobicContact CB-CH2 4.42Å; F47-W88 HydrophobicContact CB-CZ2 4.05Å; F47-W88 HydrophobicContact CD2-CD2 4.35Å; F47-W88 HydrophobicContact CD2-CE3 4.22Å; L61-W88 HydrophobicContact CD2-CB 4.45Å; W88-C122 HydrophobicContact CE3-CB 4.16Å; W88-C122 HydrophobicContact CH2-CB 3.67Å; W88-C122 HydrophobicContact CZ3-CB 3.43Å; W88-C122 VanDerWaalsContact CZ3-CB 3.43Å; W88-C122 WeakPolarHBondContact CZ3-O 3.48Å; W88-M124 HydrophobicContact CE3-CB 4.31Å; W88-I138 HydrophobicContact CH2-CD1 3.89Å; W88-I138 HydrophobicContact CH2-CG1 3.51Å; W88-I138 HydrophobicContact CZ2-CD1 4.47Å; W88-I138 HydrophobicContact CZ2-CG1 4.49Å; W88-I138 HydrophobicContact CZ3-CD1 4.15Å; W88-I138 HydrophobicContact CZ3-CG1 3.68Å; W88-S142 VanDerWaalsContact CZ2-O 3.25Å; W88-S142 WeakPolarHBondContact CZ2-O 3.2Å; W88-S142 PolarHBondContact NE1-O 3.14Å; W88-L144 HydrophobicContact CD2-CB 4.35Å; W88-L144 HydrophobicContact CD2-CD1 4.04Å; W88-L144 HydrophobicContact CE3-CD1 4.18Å; W88-L144 HydrophobicContact CG-CB 4.13Å; W88-L144 HydrophobicContact CG-CD1 4.46Å; W88-S145 PolarHBondContact N-O 3.14Å; W88-F146 HydrophobicContact CB-CB 3.77Å; W88-F146 HydrophobicContact CG-CB 4.47Å; W88-V147 PolarHBondContact O-N 3.01Å |
| 89 | I | 90.8 | Very high | 74.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 173.1 | 163.2 | 59.1 | 166.7 | 0 | 0 | 0 | 109.7 | F47 L62 L73 L87 L91 W100 A123 W135 | F47-I89 VanDerWaalsContact CE2-O 3.26Å; F47-I89 WeakPolarHBondContact CE2-O 3.05Å; L62-I89 HydrophobicContact CD2-CG2 4.41Å; L73-I89 HydrophobicContact CD2-CG2 3.89Å; L87-I89 HydrophobicContact CD1-CG2 3.81Å; I89-L91 VanDerWaalsContact C-N 3.27Å; I89-L91 HydrophobicContact CD1-CB 4.22Å; I89-L91 HydrophobicContact CG1-CB 4.46Å; I89-L91 PolarHBondContact O-N 2.8Å; I89-W100 HydrophobicContact CD1-CH2 4.35Å; I89-W100 HydrophobicContact CD1-CZ3 4.37Å; I89-A123 HydrophobicContact CD1-CB 4.1Å; I89-A123 HydrophobicContact CG1-CB 3.96Å; I89-A123 WeakPolarHBondContact CG1-O 3.39Å; I89-A123 PolarHBondContact N-O 3.49Å; I89-W135 HydrophobicContact CD1-CB 4.49Å; I89-W135 HydrophobicContact CD1-CD2 3.57Å; I89-W135 HydrophobicContact CD1-CE3 4.21Å; I89-W135 HydrophobicContact CD1-CG 3.68Å; I89-W135 HydrophobicContact CD1-CZ2 4.26Å |
| 90 | G | 87.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L61 L62 W100 S101 | L61-G90 VanDerWaalsContact CB-CA 3.42Å; L62-G90 PolarHBondContact O-N 3.26Å; G90-W100 CarbonylContact O-C 3.59Å; G90-W100 WeakPolarHBondContact O-CA 3.3Å; G90-S101 WeakPolarHBondContact CA-OG 3.39Å; G90-S101 WeakPolarHBondContact O-CB 3.45Å; G90-S101 PolarHBondContact O-N 3.48Å; G90-S101 PolarHBondContact O-OG 3.01Å |
| 91 | L | 87.2 | Confident | 75 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.8 | -178.6 | -174.5 | 68.7 | 0 | 0 | 0 | 110.6 | I89 L98 W100 V107 A123 W135 F137 | I89-L91 VanDerWaalsContact C-N 3.27Å; I89-L91 HydrophobicContact CD1-CB 4.22Å; I89-L91 HydrophobicContact CG1-CB 4.46Å; I89-L91 PolarHBondContact O-N 2.8Å; L91-L98 HydrophobicContact CD1-CB 4.33Å; L91-L98 HydrophobicContact CD1-CD2 4.42Å; L91-L98 HydrophobicContact CD2-CD2 4.36Å; L91-L98 HydrophobicContact CG-CD2 4.33Å; L91-W100 HydrophobicContact CB-CD2 4.34Å; L91-W100 HydrophobicContact CB-CE3 3.81Å; L91-W100 HydrophobicContact CB-CH2 3.94Å; L91-W100 HydrophobicContact CB-CZ2 4.46Å; L91-W100 HydrophobicContact CB-CZ3 3.6Å; L91-W100 HydrophobicContact CD1-CD2 4.01Å; L91-W100 HydrophobicContact CD1-CE3 4.35Å; L91-W100 HydrophobicContact CD1-CG 4.4Å; L91-W100 HydrophobicContact CD1-CZ2 4.29Å; L91-V107 HydrophobicContact CD1-CG1 3.8Å; L91-V107 HydrophobicContact CD1-CG2 4.08Å; L91-V107 HydrophobicContact CD2-CG1 4.33Å; L91-A123 HydrophobicContact CB-CB 3.83Å; L91-A123 HydrophobicContact CD2-CB 4.26Å; L91-A123 HydrophobicContact CG-CB 4.26Å; L91-A123 VanDerWaalsContact O-CB 3.28Å; L91-A123 WeakPolarHBondContact O-CB 3.21Å; L91-A123 PolarHBondContact O-N 3.17Å; L91-W135 HydrophobicContact CD2-CD2 4.47Å; L91-W135 HydrophobicContact CD2-CE3 3.43Å; L91-W135 VanDerWaalsContact CD2-CE3 3.43Å; L91-W135 HydrophobicContact CD2-CZ3 3.62Å; L91-F137 HydrophobicContact CD2-CZ 3.75Å; L91-F137 HydrophobicContact CG-CE1 4.42Å; L91-F137 HydrophobicContact CG-CZ 4.1Å |
| 92 | F | 83.6 | Confident | 75.3 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 18% | 0.18 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 170.5 | 177 | 70.7 | -74 | 0 | 0 | 0 | 111.6 | F47 E94 R99 C122 | F47-F92 HydrophobicContact CE1-CB 4.1Å; F47-F92 HydrophobicContact CE1-CD1 4.12Å; F47-F92 HydrophobicContact CE1-CG 4.13Å; F47-F92 HydrophobicContact CE2-CB 4.16Å; F47-F92 HydrophobicContact CZ-CB 3.7Å; F47-F92 AromaticContact CZ-CD1 3.77Å; F47-F92 HydrophobicContact CZ-CD1 3.77Å; F47-F92 AromaticContact CZ-CG 3.96Å; F47-F92 HydrophobicContact CZ-CG 3.96Å; F92-E94 HydrophobicContact CE2-CB 3.97Å; F92-R99 HydrophobicContact CD1-CB 4.42Å; F92-R99 WeakPolarHBondContact CD1-O 3.07Å; F92-R99 HydrophobicContact CE1-CB 3.87Å; F92-R99 WeakPolarHBondContact CE1-O 3.47Å; F92-R99 HydrophobicContact CZ-CB 3.92Å; F92-R99 PolarHBondContact N-O 3Å; F92-R99 PolarHBondContact O-N 2.97Å; F92-C122 HydrophobicContact CB-CB 4.37Å |
| 93 | T | 70.6 | Confident | 75.3 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126 | 177.4 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | H97 L98 V119 G121 F137 | T93-H97 CarbonylContact C-O 3.56Å; T93-H97 WeakPolarHBondContact CA-O 3.04Å; T93-L98 HydrophobicContact CG2-CD2 3.91Å; T93-V119 HydrophobicContact CG2-CG1 3.86Å; T93-V119 WeakPolarHBondContact CG2-O 3.4Å; T93-G121 PolarHBondContact N-O 3.13Å; T93-G121 PolarHBondContact OG1-N 2.83Å; T93-G121 PolarHBondContact OG1-O 3.23Å; T93-F137 HydrophobicContact CG2-CD1 3.77Å; T93-F137 HydrophobicContact CG2-CE1 3.7Å |
| 94 | E | 61.3 | Low | 75 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.6 | 172.3 | -163.8 | 175.7 | -173.5 | 0 | 0 | 108.1 | F92 G96 H97 R99 | F92-E94 HydrophobicContact CE2-CB 3.97Å; E94-G96 PolarHBondContact O-N 3.14Å; E94-G96 VanDerWaalsContact O-N 3.13Å; E94-H97 PolarHBondContact N-O 2.88Å; E94-H97 PolarHBondContact O-N 2.83Å; E94-R99 IonicContact OE1-NH1 3.4Å; E94-R99 WeakPolarHBondContact OE2-CD 3Å; E94-R99 IonicContact OE2-CZ 3.46Å; E94-R99 IonicContact OE2-NE 3.17Å; E94-R99 IonicContact OE2-NH1 2.7Å; E94-R99 PolarHBondContact OE2-NH1 3.11Å |
| 95 | N | 49.3 | Very low | 74.2 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39.9 | -177.9 | -55.7 | -27.1 | 0 | 0 | 0 | 114 | H97 F415 | N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.01Å; N95-F415 HydrophobicContact CB-CD1 4.28Å; N95-F415 HydrophobicContact CB-CE1 4.3Å; N95-F415 WeakPolarHBondContact ND2-CD1 3.26Å |
| 96 | G | 55.1 | Low | 73.4 | Confident | 51 Ų | 51 | 32.4 Ų | 32.4 | 53% | 0.526 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E94 | E94-G96 PolarHBondContact O-N 3.14Å; E94-G96 VanDerWaalsContact O-N 3.13Å |
| 97 | H | 55.9 | Low | 72.5 | Confident | 70 Ų | 70 | 32 Ų | 32 | 32% | 0.324 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.4 | 172.6 | -67.8 | -94.8 | 0 | 0 | 0 | 111.4 | T93 E94 N95 | T93-H97 CarbonylContact C-O 3.56Å; T93-H97 WeakPolarHBondContact CA-O 3.04Å; E94-H97 PolarHBondContact N-O 2.88Å; E94-H97 PolarHBondContact O-N 2.83Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.01Å |
| 98 | L | 68.1 | Low | 71.2 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133 | 174.6 | -71.3 | 167.9 | 0 | 0 | 0 | 111 | L91 T93 V107 Q109 I112 V119 F137 | L91-L98 HydrophobicContact CD1-CB 4.33Å; L91-L98 HydrophobicContact CD1-CD2 4.42Å; L91-L98 HydrophobicContact CD2-CD2 4.36Å; L91-L98 HydrophobicContact CG-CD2 4.33Å; T93-L98 HydrophobicContact CG2-CD2 3.91Å; L98-V107 HydrophobicContact CB-CB 4.4Å; L98-V107 HydrophobicContact CB-CG1 3.97Å; L98-V107 HydrophobicContact CB-CG2 4.12Å; L98-V107 HydrophobicContact CD1-CG1 4.03Å; L98-Q109 HydrophobicContact CD1-CG 3.98Å; L98-I112 HydrophobicContact CD1-CD1 3.65Å; L98-I112 HydrophobicContact CD2-CD1 4.44Å; L98-V119 HydrophobicContact CD2-CG1 3.78Å; L98-V119 HydrophobicContact CG-CG1 4.37Å; L98-F137 HydrophobicContact CD2-CE1 3.64Å; L98-F137 HydrophobicContact CD2-CE2 4.29Å; L98-F137 HydrophobicContact CD2-CZ 3.34Å |
| 99 | R | 69.7 | Low | 69.6 | Low | 86 Ų | 86 | 34.5 Ų | 34.5 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144 | -178.3 | -68.2 | -174.9 | 170.5 | -170.3 | -9.3 | 112.3 | F92 E94 I440 | F92-R99 HydrophobicContact CD1-CB 4.42Å; F92-R99 WeakPolarHBondContact CD1-O 3.07Å; F92-R99 HydrophobicContact CE1-CB 3.87Å; F92-R99 WeakPolarHBondContact CE1-O 3.47Å; F92-R99 HydrophobicContact CZ-CB 3.92Å; F92-R99 PolarHBondContact N-O 3Å; F92-R99 PolarHBondContact O-N 2.97Å; E94-R99 IonicContact OE1-NH1 3.4Å; E94-R99 WeakPolarHBondContact OE2-CD 3Å; E94-R99 IonicContact OE2-CZ 3.46Å; E94-R99 IonicContact OE2-NE 3.17Å; E94-R99 IonicContact OE2-NH1 2.7Å; E94-R99 PolarHBondContact OE2-NH1 3.11Å; R99-I440 VanDerWaalsContact NH2-CD1 3.26Å |
| 100 | W | 80.2 | Confident | 68 | Low | 8 Ų | 8 | 38.1 Ų | 38.1 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.1 | 170.5 | -68.1 | 106.6 | 0 | 0 | 0 | 111.3 | L62 T63 V64 I89 G90 L91 S102 G103 Y104 A106 W135 | L62-W100 VanDerWaalsContact O-CZ3 3.31Å; L62-W100 WeakPolarHBondContact O-CZ3 3.37Å; T63-W100 HydrophobicContact CG2-CB 4.48Å; T63-W100 HydrophobicContact CG2-CD2 3.77Å; T63-W100 HydrophobicContact CG2-CE3 4.01Å; T63-W100 HydrophobicContact CG2-CG 3.99Å; V64-W100 HydrophobicContact CB-CH2 3.98Å; V64-W100 VanDerWaalsContact N-CH2 3.26Å; V64-W100 WeakPolarHBondContact O-CZ2 3.16Å; I89-W100 HydrophobicContact CD1-CH2 4.35Å; I89-W100 HydrophobicContact CD1-CZ3 4.37Å; G90-W100 CarbonylContact O-C 3.59Å; G90-W100 WeakPolarHBondContact O-CA 3.3Å; L91-W100 HydrophobicContact CB-CD2 4.34Å; L91-W100 HydrophobicContact CB-CE3 3.81Å; L91-W100 HydrophobicContact CB-CH2 3.94Å; L91-W100 HydrophobicContact CB-CZ2 4.46Å; L91-W100 HydrophobicContact CB-CZ3 3.6Å; L91-W100 HydrophobicContact CD1-CD2 4.01Å; L91-W100 HydrophobicContact CD1-CE3 4.35Å; L91-W100 HydrophobicContact CD1-CG 4.4Å; L91-W100 HydrophobicContact CD1-CZ2 4.29Å; W100-S102 PolarHBondContact O-N 2.74Å; W100-G103 PolarHBondContact O-N 2.04Å; W100-Y104 AromaticContact CD1-CD1 3.8Å; W100-Y104 AromaticContact NE1-CD1 3.96Å; W100-A106 PolarHBondContact NE1-O 2.98Å; W100-W135 AromaticContact CH2-CH2 3.6Å; W100-W135 HydrophobicContact CH2-CH2 3.6Å; W100-W135 HydrophobicContact CH2-CZ2 4.17Å; W100-W135 AromaticContact CH2-CZ3 3.94Å; W100-W135 HydrophobicContact CH2-CZ3 3.94Å; W100-W135 AromaticContact CZ2-CH2 3.71Å; W100-W135 HydrophobicContact CZ2-CH2 3.71Å; W100-W135 AromaticContact CZ2-CZ3 3.95Å; W100-W135 HydrophobicContact CZ2-CZ3 3.95Å |
| 101 | S | 78.4 | Confident | 66.7 | Low | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.9 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | S60 G90 | S60-S101 PolarHBondContact OG-OG 2.9Å; S60-S101 VanDerWaalsContact OG-OG 3.06Å; G90-S101 WeakPolarHBondContact CA-OG 3.39Å; G90-S101 WeakPolarHBondContact O-CB 3.45Å; G90-S101 PolarHBondContact O-N 3.48Å; G90-S101 PolarHBondContact O-OG 3.01Å |
| 102 | S | 72.1 | Confident | 65.6 | Low | 24 Ų | 24 | 40 Ų | 40 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | S60 T63 W100 Y104 | S60-S102 PolarHBondContact OG-N 3.47Å; T63-S102 VanDerWaalsContact OG1-CB 3.28Å; T63-S102 WeakPolarHBondContact OG1-CB 3.37Å; T63-S102 PolarHBondContact OG1-OG 2.66Å; W100-S102 PolarHBondContact O-N 2.74Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 WeakPolarHBondContact OG-CB 3.41Å; S102-Y104 PolarHBondContact OG-N 3.18Å |
| 103 | G | 68.1 | Low | 64.3 | Low | 63 Ų | 63 | 41 Ų | 41 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | trans | 82.5 | 2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W100 S105 | W100-G103 PolarHBondContact O-N 2.04Å; G103-S105 PolarHBondContact O-N 2.76Å | ||
| 104 | Y | 69.3 | Low | 63.5 | Low | 37 Ų | 37 | 42 Ų | 42 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | trans | -62.2 | 125.4 | 178.6 | -170.6 | -105 | 0 | 0 | 0 | 111.6 | T63 W100 S102 A106 P152 I154 | T63-Y104 HydrophobicContact CG2-CD1 3.92Å; T63-Y104 HydrophobicContact CG2-CG 3.96Å; W100-Y104 AromaticContact CD1-CD1 3.8Å; W100-Y104 AromaticContact NE1-CD1 3.96Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 WeakPolarHBondContact OG-CB 3.41Å; S102-Y104 PolarHBondContact OG-N 3.18Å; Y104-A106 HydrophobicContact CD1-CB 4.43Å; Y104-A106 VanDerWaalsContact CD1-O 3.23Å; Y104-A106 WeakPolarHBondContact CD1-O 3.42Å; Y104-A106 HydrophobicContact CE1-CB 3.82Å; Y104-A106 VanDerWaalsContact CE1-O 3.29Å; Y104-A106 WeakPolarHBondContact CE1-O 3.47Å; Y104-P152 HydrophobicContact CD2-CB 3.65Å; Y104-P152 HydrophobicContact CD2-CG 3.88Å; Y104-P152 HydrophobicContact CE2-CB 3.76Å; Y104-P152 HydrophobicContact CE2-CG 4.25Å; Y104-P152 HydrophobicContact CG-CG 4.34Å; Y104-I154 HydrophobicContact CD2-CD1 3.98Å; Y104-I154 HydrophobicContact CE2-CD1 3.39Å; Y104-I154 HydrophobicContact CE2-CG1 4.06Å | ||
| 105 | S | 64.4 | Low | 62.9 | Low | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | trans | -77.5 | -26.8 | -166.9 | -43.4 | 0 | 0 | 0 | 0 | 114.7 | G103 Y156 T253 | G103-S105 PolarHBondContact O-N 2.76Å; S105-Y156 WeakPolarHBondContact CB-OH 3.4Å; S105-Y156 PolarHBondContact OG-OH 2.81Å; S105-T253 PolarHBondContact O-OG1 2.03Å | ||
| 106 | A | 63.6 | Low | 62.7 | Low | 6 Ų | 6 | 42.5 Ų | 42.5 | 5% | 0.05 | 26% | 0.261 | C | S | . | . | trans | -94.4 | 122.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W100 Y104 T253 | W100-A106 PolarHBondContact NE1-O 2.98Å; Y104-A106 HydrophobicContact CD1-CB 4.43Å; Y104-A106 VanDerWaalsContact CD1-O 3.23Å; Y104-A106 WeakPolarHBondContact CD1-O 3.42Å; Y104-A106 HydrophobicContact CE1-CB 3.82Å; Y104-A106 VanDerWaalsContact CE1-O 3.29Å; Y104-A106 WeakPolarHBondContact CE1-O 3.47Å; A106-T253 HydrophobicContact CB-CG2 4.16Å | ||
| 107 | V | 65.2 | Low | 62.3 | Low | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | trans | -108.1 | 109.7 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | L91 L98 Q109 | L91-V107 HydrophobicContact CD1-CG1 3.8Å; L91-V107 HydrophobicContact CD1-CG2 4.08Å; L91-V107 HydrophobicContact CD2-CG1 4.33Å; L98-V107 HydrophobicContact CB-CB 4.4Å; L98-V107 HydrophobicContact CB-CG1 3.97Å; L98-V107 HydrophobicContact CB-CG2 4.12Å; L98-V107 HydrophobicContact CD1-CG1 4.03Å; V107-Q109 PolarHBondContact O-N 3.21Å | ||
| 108 | P | 62.1 | Low | 62 | Low | 23 Ų | 23 | 43 Ų | 43 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -78.2 | 101.9 | 171.2 | 31.2 | -32.5 | 0 | 0 | 0 | 110.3 | V64 I110 F111 W135 | V64-P108 WeakPolarHBondContact O-CG 3.49Å; P108-I110 PolarHBondContact O-N 2.96Å; P108-F111 HydrophobicContact CB-CD2 4.35Å; P108-F111 HydrophobicContact CB-CE2 3.9Å; P108-F111 HydrophobicContact CG-CD2 4.25Å; P108-F111 HydrophobicContact CG-CE2 3.91Å; P108-W135 HydrophobicContact CG-CH2 4.15Å; P108-W135 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 109 | Q | 58.5 | Low | 61.2 | Low | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -66.5 | -12.1 | 178.8 | -74.1 | 164.7 | -39.7 | 0 | 0 | 114.2 | L98 V107 F111 I112 R242 Q259 | L98-Q109 HydrophobicContact CD1-CG 3.98Å; V107-Q109 PolarHBondContact O-N 3.21Å; Q109-F111 PolarHBondContact O-N 2.76Å; Q109-I112 HydrophobicContact CB-CD1 4.35Å; Q109-I112 HydrophobicContact CG-CD1 4.19Å; Q109-I112 PolarHBondContact O-N 3.14Å; Q109-R242 VanDerWaalsContact OE1-CZ 3.27Å; Q109-Q259 PolarHBondContact NE2-O 3.13Å; Q109-Q259 PolarHBondContact OE1-O 3.5Å |
| 110 | I | 58 | Low | 61 | Low | 77 Ų | 77 | 41.9 Ų | 41.9 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -53.4 | -23.4 | -172.7 | -50.6 | 171.4 | 0 | 0 | 0 | 113.4 | P108 S240 E241 | P108-I110 PolarHBondContact O-N 2.96Å; I110-S240 WeakPolarHBondContact CD1-O 3.26Å; I110-S240 WeakPolarHBondContact CG1-O 3.49Å; I110-E241 HydrophobicContact CD1-CG 4.29Å |
| 111 | F | 59.7 | Low | 61 | Low | 20 Ų | 20 | 42.1 Ų | 42.1 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -99.7 | -7.2 | -175.2 | -48.1 | -65.9 | 0 | 0 | 0 | 114.1 | K67 Q70 P108 Q109 T134 W135 | K67-F111 HydrophobicContact CB-CE1 4.18Å; K67-F111 HydrophobicContact CB-CZ 3.99Å; K67-F111 HydrophobicContact CG-CE1 4.26Å; Q70-F111 HydrophobicContact CB-CD1 3.93Å; Q70-F111 HydrophobicContact CB-CE1 3.87Å; Q70-F111 HydrophobicContact CB-CG 4.39Å; Q70-F111 HydrophobicContact CB-CZ 4.28Å; Q70-F111 HydrophobicContact CG-CD1 3.65Å; Q70-F111 HydrophobicContact CG-CE1 4.08Å; Q70-F111 HydrophobicContact CG-CG 4.1Å; P108-F111 HydrophobicContact CB-CD2 4.35Å; P108-F111 HydrophobicContact CB-CE2 3.9Å; P108-F111 HydrophobicContact CG-CD2 4.25Å; P108-F111 HydrophobicContact CG-CE2 3.91Å; Q109-F111 PolarHBondContact O-N 2.76Å; F111-T134 CarbonylContact O-C 2.94Å; F111-T134 WeakPolarHBondContact O-CA 3.06Å; F111-W135 HydrophobicContact CB-CD2 3.65Å; F111-W135 HydrophobicContact CB-CE3 3.96Å; F111-W135 HydrophobicContact CB-CG 4.11Å; F111-W135 HydrophobicContact CB-CH2 4.15Å; F111-W135 HydrophobicContact CB-CZ2 3.8Å; F111-W135 HydrophobicContact CB-CZ3 4.21Å; F111-W135 AromaticContact CD2-CH2 3.36Å; F111-W135 HydrophobicContact CD2-CH2 3.36Å; F111-W135 AromaticContact CD2-CZ2 3.44Å; F111-W135 HydrophobicContact CD2-CZ2 3.44Å; F111-W135 VanDerWaalsContact CD2-CZ2 3.44Å; F111-W135 AromaticContact CD2-CZ3 3.95Å; F111-W135 HydrophobicContact CD2-CZ3 3.95Å; F111-W135 HydrophobicContact CE2-CH2 4.19Å; F111-W135 HydrophobicContact CE2-CZ2 4.32Å; F111-W135 HydrophobicContact CG-CH2 4.13Å; F111-W135 AromaticContact CG-CZ2 3.84Å; F111-W135 HydrophobicContact CG-CZ2 3.84Å; F111-W135 PolarHBondContact O-N 3.14Å |
| 112 | I | 65.3 | Low | 61.3 | Low | 20 Ų | 20 | 41.6 Ų | 41.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 130.3 | -176.7 | -58.5 | 175.8 | 0 | 0 | 0 | 109.8 | L98 Q109 V119 W135 F137 I260 | L98-I112 HydrophobicContact CD1-CD1 3.65Å; L98-I112 HydrophobicContact CD2-CD1 4.44Å; Q109-I112 HydrophobicContact CB-CD1 4.35Å; Q109-I112 HydrophobicContact CG-CD1 4.19Å; Q109-I112 PolarHBondContact O-N 3.14Å; I112-V119 HydrophobicContact CG2-CG2 4.37Å; I112-W135 WeakPolarHBondContact CA-O 3.43Å; I112-W135 HydrophobicContact CG1-CB 4.49Å; I112-W135 HydrophobicContact CG1-CE3 4.03Å; I112-F137 HydrophobicContact CD1-CE2 3.92Å; I112-F137 HydrophobicContact CD1-CZ 4.24Å; I112-F137 HydrophobicContact CG1-CE2 4.02Å; I112-F137 HydrophobicContact CG2-CD2 4.24Å; I112-F137 HydrophobicContact CG2-CE2 3.85Å; I112-I260 HydrophobicContact CG2-CD1 4.46Å |
| 113 | S | 56.6 | Low | 62 | Low | 61 Ų | 61 | 40.4 Ų | 40.4 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | trans | -110.2 | 140.3 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | T134 W135 | S113-T134 WeakPolarHBondContact CB-OG1 3.34Å; S113-W135 PolarHBondContact N-O 3.36Å | ||
| 114 | G | 52.5 | Low | 62.8 | Low | 48 Ų | 48 | 38.2 Ų | 38.2 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 108.3 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 115 | K | 49.3 | Very low | 63.6 | Low | 122 Ų | 122 | 36.5 Ų | 36.5 | 53% | 0.53 | 23% | 0.227 | S | C | . | . | trans | -74.2 | 155 | 176 | -79 | -167.4 | 166.8 | -159.2 | 0 | 111.4 | E117 S118 | K115-E117 HydrophobicContact CB-CB 4.44Å; K115-E117 WeakPolarHBondContact CD-OE2 3.46Å; K115-E117 IonicContact NZ-OE1 3.72Å; K115-E117 IonicContact NZ-OE2 2.71Å; K115-E117 PolarHBondContact NZ-OE2 2.75Å; K115-E117 PolarHBondContact O-N 3.07Å; K115-S118 PolarHBondContact O-N 3.48Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.07Å | ||
| 116 | P | 45.1 | Very low | 64.4 | Low | 41 Ų | 41 | 35.9 Ų | 35.9 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -53.8 | -25.6 | 172.5 | -26.8 | 35.6 | 0 | 0 | 0 | 114.7 | S118 V119 I260 | P116-S118 VanDerWaalsContact C-N 3.34Å; P116-S118 PolarHBondContact O-N 2.8Å; P116-V119 WeakPolarHBondContact O-CB 3.38Å; P116-V119 PolarHBondContact O-N 2.93Å; P116-I260 HydrophobicContact CG-CB 4.45Å |
| 117 | E | 46.3 | Very low | 65 | Low | 71 Ų | 71 | 37 Ų | 37 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -63.3 | -30.3 | 177.8 | -68.6 | 136.9 | -140.1 | 0 | 0 | 114 | K115 V119 D554 L557 | K115-E117 HydrophobicContact CB-CB 4.44Å; K115-E117 WeakPolarHBondContact CD-OE2 3.46Å; K115-E117 IonicContact NZ-OE1 3.72Å; K115-E117 IonicContact NZ-OE2 2.71Å; K115-E117 PolarHBondContact NZ-OE2 2.75Å; K115-E117 PolarHBondContact O-N 3.07Å; E117-V119 VanDerWaalsContact C-N 3.33Å; E117-D554 HydrophobicContact CG-CB 3.7Å; E117-L557 HydrophobicContact CG-CD1 4.36Å |
| 118 | S | 49.2 | Very low | 64.8 | Low | 60 Ų | 60 | 38.8 Ų | 38.8 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -88.8 | 2.2 | 178.6 | 69 | 0 | 0 | 0 | 0 | 113.7 | K115 P116 A120 F137 | K115-S118 PolarHBondContact O-N 3.48Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.07Å; P116-S118 VanDerWaalsContact C-N 3.34Å; P116-S118 PolarHBondContact O-N 2.8Å; S118-A120 PolarHBondContact O-N 3.32Å; S118-F137 WeakPolarHBondContact O-CB 3.42Å |
| 119 | V | 52.8 | Low | 64.2 | Low | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -83.4 | 63.6 | -177.5 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | T93 L98 I112 P116 E117 F137 | T93-V119 HydrophobicContact CG2-CG1 3.86Å; T93-V119 WeakPolarHBondContact CG2-O 3.4Å; L98-V119 HydrophobicContact CD2-CG1 3.78Å; L98-V119 HydrophobicContact CG-CG1 4.37Å; I112-V119 HydrophobicContact CG2-CG2 4.37Å; P116-V119 WeakPolarHBondContact O-CB 3.38Å; P116-V119 PolarHBondContact O-N 2.93Å; E117-V119 VanDerWaalsContact C-N 3.33Å; V119-F137 HydrophobicContact CB-CD2 4.5Å; V119-F137 HydrophobicContact CG1-CD1 4.33Å; V119-F137 HydrophobicContact CG1-CD2 4.03Å; V119-F137 HydrophobicContact CG1-CE1 4.26Å; V119-F137 HydrophobicContact CG1-CE2 3.97Å; V119-F137 HydrophobicContact CG1-CG 4.22Å; V119-F137 HydrophobicContact CG1-CZ 4.1Å; V119-F137 HydrophobicContact CG2-CD2 4.39Å | ||
| 120 | A | 63.8 | Low | 63.6 | Low | 69 Ų | 69 | 46.2 Ų | 46.2 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | trans | -140.5 | 110.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S118 | S118-A120 PolarHBondContact O-N 3.32Š| ||
| 121 | G | 80 | Confident | 63.3 | Low | 13 Ų | 13 | 44.3 Ų | 44.3 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 131.7 | -138.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T93 | T93-G121 PolarHBondContact N-O 3.13Å; T93-G121 PolarHBondContact OG1-N 2.83Å; T93-G121 PolarHBondContact OG1-O 3.23Å |
| 122 | C | 85.8 | Confident | 63.1 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.3 | -179 | -70.4 | 0 | 0 | 0 | 0 | 109.8 | F47 W88 F92 F137 I138 C140 | F47-C122 HydrophobicContact CB-CB 4Å; F47-C122 VanDerWaalsContact CD1-SG 3.52Å; F47-C122 HydrophobicContact CD2-CB 3.5Å; F47-C122 VanDerWaalsContact CD2-SG 3.56Å; F47-C122 HydrophobicContact CE2-CB 4.03Å; F47-C122 HydrophobicContact CG-CB 3.8Å; F47-C122 WeakPolarHBondContact CG-SG 3.34Å; W88-C122 HydrophobicContact CE3-CB 4.16Å; W88-C122 HydrophobicContact CH2-CB 3.67Å; W88-C122 HydrophobicContact CZ3-CB 3.43Å; W88-C122 VanDerWaalsContact CZ3-CB 3.43Å; W88-C122 WeakPolarHBondContact CZ3-O 3.48Å; F92-C122 HydrophobicContact CB-CB 4.37Å; C122-F137 WeakPolarHBondContact O-CA 3.45Å; C122-I138 PolarHBondContact N-O 2.88Å; C122-I138 PolarHBondContact O-N 2.86Å; C122-C140 HydrophobicContact CB-CB 3.98Å; C122-C140 WeakPolarHBondContact CB-SG 3.21Å; C122-C140 PolarHBondContact N-SG 2.7Å; C122-C140 VanDerWaalsContact N-SG 3.36Å; C122-C140 WeakPolarHBondContact SG-CB 3.43Å; C122-C140 CovalentContact SG-SG 2.04Å; C122-C140 PolarHBondContact SG-SG 3.23Å |
| 123 | A | 86 | Confident | 63.1 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I89 L91 E136 F137 | I89-A123 HydrophobicContact CD1-CB 4.1Å; I89-A123 HydrophobicContact CG1-CB 3.96Å; I89-A123 WeakPolarHBondContact CG1-O 3.39Å; I89-A123 PolarHBondContact N-O 3.49Å; L91-A123 HydrophobicContact CB-CB 3.83Å; L91-A123 HydrophobicContact CD2-CB 4.26Å; L91-A123 HydrophobicContact CG-CB 4.26Å; L91-A123 VanDerWaalsContact O-CB 3.28Å; L91-A123 WeakPolarHBondContact O-CB 3.21Å; L91-A123 PolarHBondContact O-N 3.17Å; A123-E136 WeakPolarHBondContact CA-O 3.46Å; A123-F137 HydrophobicContact CB-CD1 4.18Å; A123-F137 HydrophobicContact CB-CE1 3.74Å; A123-F137 HydrophobicContact CB-CE2 4.25Å; A123-F137 HydrophobicContact CB-CZ 3.77Å |
| 124 | M | 86.4 | Confident | 63.8 | Low | 17 Ų | 17 | 47.2 Ų | 47.2 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 143.9 | 165.6 | 65.6 | 168.4 | -174.1 | 0 | 0 | 111.3 | A86 L87 W88 N126 W135 E136 I138 L144 | A86-M124 HydrophobicContact CB-SD 3.68Å; L87-M124 CarbonylContact O-C 3.16Å; L87-M124 WeakPolarHBondContact O-CA 3.3Å; L87-M124 WeakPolarHBondContact O-CB 3.4Å; W88-M124 HydrophobicContact CE3-CB 4.31Å; M124-N126 HydrophobicContact CE-CB 4.31Å; M124-W135 CarbonylContact O-C 3.51Å; M124-W135 VanDerWaalsContact O-CA 3.29Å; M124-W135 WeakPolarHBondContact O-CA 3.26Å; M124-E136 HydrophobicContact CE-CB 3.85Å; M124-E136 HydrophobicContact CE-CG 3.83Å; M124-E136 VanDerWaalsContact CE-OE2 3.25Å; M124-E136 WeakPolarHBondContact CE-OE2 3.3Å; M124-E136 HydrophobicContact CG-CB 4.2Å; M124-E136 WeakPolarHBondContact CG-O 3.43Å; M124-E136 PolarHBondContact N-O 2.79Å; M124-E136 PolarHBondContact O-N 3.15Å; M124-I138 HydrophobicContact CE-CG2 3.81Å; M124-I138 HydrophobicContact CG-CD1 4.4Å; M124-I138 HydrophobicContact CG-CG2 4.4Å; M124-I138 HydrophobicContact SD-CD1 3.88Å; M124-I138 HydrophobicContact SD-CG2 4.15Å; M124-L144 HydrophobicContact CB-CD1 3.52Å; M124-L144 HydrophobicContact CG-CD1 4.25Å; M124-L144 HydrophobicContact SD-CD1 3.84Å |
| 125 | S | 85.5 | Confident | 65.3 | Low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 107.5 | 170.3 | -176 | 0 | 0 | 0 | 0 | 109.5 | L73 Q77 A86 L87 S133 | L73-S125 WeakPolarHBondContact CD2-OG 3.41Å; Q77-S125 PolarHBondContact NE2-O 2.86Å; Q77-S125 PolarHBondContact OE1-OG 3.35Å; A86-S125 WeakPolarHBondContact CA-O 3.48Å; L87-S125 PolarHBondContact N-O 2.74Å; L87-S125 PolarHBondContact O-N 2.84Å; S125-S133 PolarHBondContact OG-OG 2.89Å |
| 126 | N | 81.8 | Confident | 66.6 | Low | 33 Ų | 33 | 42.7 Ų | 42.7 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.5 | -175.2 | -171.4 | 1.4 | 0 | 0 | 0 | 111.6 | I85 M124 S133 T134 E136 | I85-N126 CarbonylContact O-C 3.31Å; I85-N126 VanDerWaalsContact O-CA 3.29Å; I85-N126 WeakPolarHBondContact O-CA 3.46Å; I85-N126 PolarHBondContact O-OD1 3.06Å; M124-N126 HydrophobicContact CE-CB 4.31Å; N126-S133 WeakPolarHBondContact O-CA 3.36Å; N126-T134 PolarHBondContact N-O 2.97Å; N126-T134 PolarHBondContact O-N 2.74Å; N126-E136 PolarHBondContact ND2-OE2 3.1Å |
| 127 | I | 74.8 | Confident | 68.4 | Low | 29 Ų | 29 | 41.4 Ų | 41.4 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.2 | 168.8 | -65.4 | -166.6 | 0 | 0 | 0 | 110.6 | R74 Q77 T78 I85 | R74-I127 HydrophobicContact CG-CD1 4.38Å; Q77-I127 HydrophobicContact CB-CD1 3.43Å; Q77-I127 VanDerWaalsContact CB-CD1 3.43Å; Q77-I127 HydrophobicContact CB-CG1 4.22Å; Q77-I127 HydrophobicContact CG-CD1 4.45Å; T78-I127 HydrophobicContact CG2-CD1 3.51Å; I85-I127 PolarHBondContact O-N 3.42Å |
| 128 | S | 60.6 | Low | 70 | Confident | 51 Ų | 51 | 39.5 Ų | 39.5 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | trans | -66.9 | 155.6 | 168.4 | 67.5 | 0 | 0 | 0 | 0 | 112 | G130 G131 L132 | S128-G130 PolarHBondContact O-N 3.2Å; S128-G131 PolarHBondContact O-N 3.47Å; S128-L132 PolarHBondContact N-O 3.03Å; S128-L132 PolarHBondContact OG-O 2.73Å | ||
| 129 | S | 49.7 | Very low | 71.5 | Confident | 143 Ų | 143 | 40.8 Ų | 40.8 | 100% | 1 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9 | 177.2 | -47.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 130 | G | 47.1 | Very low | 72.9 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S128 L132 | S128-G130 PolarHBondContact O-N 3.2Å; G130-L132 VanDerWaalsContact C-N 3.32Å; G130-L132 PolarHBondContact O-N 2.77Å |
| 131 | G | 51.2 | Low | 73.7 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 81.3 | 2.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R74 S128 | R74-G131 WeakPolarHBondContact CD-O 3.36Å; S128-G131 PolarHBondContact O-N 3.47Å |
| 132 | L | 55.8 | Low | 73.8 | Confident | 117 Ų | 117 | 44.5 Ų | 44.5 | 61% | 0.613 | 29% | 0.285 | S | S | * | . | trans | -78.1 | 132.4 | 164.4 | -73.4 | 86.8 | 0 | 0 | 0 | 109.2 | S128 G130 | S128-L132 PolarHBondContact N-O 3.03Å; S128-L132 PolarHBondContact OG-O 2.73Å; G130-L132 VanDerWaalsContact C-N 3.32Å; G130-L132 PolarHBondContact O-N 2.77Å | ||
| 133 | S | 64.5 | Low | 73.8 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.1 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | Q70 S125 N126 | Q70-S133 PolarHBondContact NE2-O 3.5Å; Q70-S133 PolarHBondContact NE2-OG 3.28Å; S125-S133 PolarHBondContact OG-OG 2.89Å; N126-S133 WeakPolarHBondContact O-CA 3.36Å |
| 134 | T | 71.7 | Confident | 73.9 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.6 | -172.1 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | F111 S113 N126 | F111-T134 CarbonylContact O-C 2.94Å; F111-T134 WeakPolarHBondContact O-CA 3.06Å; S113-T134 WeakPolarHBondContact CB-OG1 3.34Å; N126-T134 PolarHBondContact N-O 2.97Å; N126-T134 PolarHBondContact O-N 2.74Å |
| 135 | W | 83.2 | Confident | 74 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.1 | 176.6 | -52.7 | -17.3 | 0 | 0 | 0 | 110.8 | V64 Q70 I89 L91 W100 P108 F111 I112 S113 M124 | V64-W135 HydrophobicContact CB-CH2 4.06Å; V64-W135 HydrophobicContact CB-CZ2 3.58Å; V64-W135 HydrophobicContact CG1-CH2 4.34Å; V64-W135 HydrophobicContact CG1-CZ2 3.67Å; V64-W135 HydrophobicContact CG2-CZ2 4.35Å; V64-W135 WeakPolarHBondContact O-CH2 3.37Å; Q70-W135 VanDerWaalsContact CD-NE1 3.3Å; I89-W135 HydrophobicContact CD1-CB 4.49Å; I89-W135 HydrophobicContact CD1-CD2 3.57Å; I89-W135 HydrophobicContact CD1-CE3 4.21Å; I89-W135 HydrophobicContact CD1-CG 3.68Å; I89-W135 HydrophobicContact CD1-CZ2 4.26Å; L91-W135 HydrophobicContact CD2-CD2 4.47Å; L91-W135 HydrophobicContact CD2-CE3 3.43Å; L91-W135 VanDerWaalsContact CD2-CE3 3.43Å; L91-W135 HydrophobicContact CD2-CZ3 3.62Å; W100-W135 AromaticContact CH2-CH2 3.6Å; W100-W135 HydrophobicContact CH2-CH2 3.6Å; W100-W135 HydrophobicContact CH2-CZ2 4.17Å; W100-W135 AromaticContact CH2-CZ3 3.94Å; W100-W135 HydrophobicContact CH2-CZ3 3.94Å; W100-W135 AromaticContact CZ2-CH2 3.71Å; W100-W135 HydrophobicContact CZ2-CH2 3.71Å; W100-W135 AromaticContact CZ2-CZ3 3.95Å; W100-W135 HydrophobicContact CZ2-CZ3 3.95Å; P108-W135 HydrophobicContact CG-CH2 4.15Å; P108-W135 WeakPolarHBondContact O-CZ3 3.34Å; F111-W135 HydrophobicContact CB-CD2 3.65Å; F111-W135 HydrophobicContact CB-CE3 3.96Å; F111-W135 HydrophobicContact CB-CG 4.11Å; F111-W135 HydrophobicContact CB-CH2 4.15Å; F111-W135 HydrophobicContact CB-CZ2 3.8Å; F111-W135 HydrophobicContact CB-CZ3 4.21Å; F111-W135 AromaticContact CD2-CH2 3.36Å; F111-W135 HydrophobicContact CD2-CH2 3.36Å; F111-W135 AromaticContact CD2-CZ2 3.44Å; F111-W135 HydrophobicContact CD2-CZ2 3.44Å; F111-W135 VanDerWaalsContact CD2-CZ2 3.44Å; F111-W135 AromaticContact CD2-CZ3 3.95Å; F111-W135 HydrophobicContact CD2-CZ3 3.95Å; F111-W135 HydrophobicContact CE2-CH2 4.19Å; F111-W135 HydrophobicContact CE2-CZ2 4.32Å; F111-W135 HydrophobicContact CG-CH2 4.13Å; F111-W135 AromaticContact CG-CZ2 3.84Å; F111-W135 HydrophobicContact CG-CZ2 3.84Å; F111-W135 PolarHBondContact O-N 3.14Å; I112-W135 WeakPolarHBondContact CA-O 3.43Å; I112-W135 HydrophobicContact CG1-CB 4.49Å; I112-W135 HydrophobicContact CG1-CE3 4.03Å; S113-W135 PolarHBondContact N-O 3.36Å; M124-W135 CarbonylContact O-C 3.51Å; M124-W135 VanDerWaalsContact O-CA 3.29Å; M124-W135 WeakPolarHBondContact O-CA 3.26Å |
| 136 | E | 78.4 | Confident | 74.4 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.9 | -179.9 | -174.9 | 177.3 | 168.2 | 0 | 0 | 108.5 | A123 M124 N126 | A123-E136 WeakPolarHBondContact CA-O 3.46Å; M124-E136 HydrophobicContact CE-CB 3.85Å; M124-E136 HydrophobicContact CE-CG 3.83Å; M124-E136 VanDerWaalsContact CE-OE2 3.25Å; M124-E136 WeakPolarHBondContact CE-OE2 3.3Å; M124-E136 HydrophobicContact CG-CB 4.2Å; M124-E136 WeakPolarHBondContact CG-O 3.43Å; M124-E136 PolarHBondContact N-O 2.79Å; M124-E136 PolarHBondContact O-N 3.15Å; N126-E136 PolarHBondContact ND2-OE2 3.1Å |
| 137 | F | 81.1 | Confident | 74.7 | Confident | 15 Ų | 15 | 50 Ų | 50 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.7 | -175.5 | -74.2 | -97.9 | 0 | 0 | 0 | 110.8 | L91 T93 L98 I112 S118 V119 C122 A123 | L91-F137 HydrophobicContact CD2-CZ 3.75Å; L91-F137 HydrophobicContact CG-CE1 4.42Å; L91-F137 HydrophobicContact CG-CZ 4.1Å; T93-F137 HydrophobicContact CG2-CD1 3.77Å; T93-F137 HydrophobicContact CG2-CE1 3.7Å; L98-F137 HydrophobicContact CD2-CE1 3.64Å; L98-F137 HydrophobicContact CD2-CE2 4.29Å; L98-F137 HydrophobicContact CD2-CZ 3.34Å; I112-F137 HydrophobicContact CD1-CE2 3.92Å; I112-F137 HydrophobicContact CD1-CZ 4.24Å; I112-F137 HydrophobicContact CG1-CE2 4.02Å; I112-F137 HydrophobicContact CG2-CD2 4.24Å; I112-F137 HydrophobicContact CG2-CE2 3.85Å; S118-F137 WeakPolarHBondContact O-CB 3.42Å; V119-F137 HydrophobicContact CB-CD2 4.5Å; V119-F137 HydrophobicContact CG1-CD1 4.33Å; V119-F137 HydrophobicContact CG1-CD2 4.03Å; V119-F137 HydrophobicContact CG1-CE1 4.26Å; V119-F137 HydrophobicContact CG1-CE2 3.97Å; V119-F137 HydrophobicContact CG1-CG 4.22Å; V119-F137 HydrophobicContact CG1-CZ 4.1Å; V119-F137 HydrophobicContact CG2-CD2 4.39Å; C122-F137 WeakPolarHBondContact O-CA 3.45Å; A123-F137 HydrophobicContact CB-CD1 4.18Å; A123-F137 HydrophobicContact CB-CE1 3.74Å; A123-F137 HydrophobicContact CB-CE2 4.25Å; A123-F137 HydrophobicContact CB-CZ 3.77Å |
| 138 | I | 80.5 | Confident | 75.5 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.5 | 179.2 | 71.1 | 171.3 | 0 | 0 | 0 | 110.3 | W88 C122 M124 C140 L144 | W88-I138 HydrophobicContact CH2-CD1 3.89Å; W88-I138 HydrophobicContact CH2-CG1 3.51Å; W88-I138 HydrophobicContact CZ2-CD1 4.47Å; W88-I138 HydrophobicContact CZ2-CG1 4.49Å; W88-I138 HydrophobicContact CZ3-CD1 4.15Å; W88-I138 HydrophobicContact CZ3-CG1 3.68Å; C122-I138 PolarHBondContact N-O 2.88Å; C122-I138 PolarHBondContact O-N 2.86Å; M124-I138 HydrophobicContact CE-CG2 3.81Å; M124-I138 HydrophobicContact CG-CD1 4.4Å; M124-I138 HydrophobicContact CG-CG2 4.4Å; M124-I138 HydrophobicContact SD-CD1 3.88Å; M124-I138 HydrophobicContact SD-CG2 4.15Å; I138-C140 PolarHBondContact O-N 2.79Å; I138-L144 HydrophobicContact CD1-CD1 3.75Å; I138-L144 HydrophobicContact CD1-CG 4.29Å |
| 139 | P | 80.8 | Confident | 76.6 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | trans | -56.7 | 132.8 | 179 | -26.3 | 35.8 | 0 | 0 | 0 | 112.3 | D141 S142 | P139-D141 PolarHBondContact O-N 3.08Å; P139-D141 VanDerWaalsContact O-N 3.07Å; P139-S142 WeakPolarHBondContact O-CB 3.49Å; P139-S142 PolarHBondContact O-N 2.74Å; P139-S142 PolarHBondContact O-OG 3.47Å | ||
| 140 | C | 82.6 | Confident | 77.8 | Confident | 41 Ų | 41 | 44 Ų | 44 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.9 | -172.1 | -59.5 | 0 | 0 | 0 | 0 | 114.8 | F47 C122 I138 S142 | F47-C140 HydrophobicContact CB-CB 4.12Å; F47-C140 PolarHBondContact N-O 2.93Å; C122-C140 HydrophobicContact CB-CB 3.98Å; C122-C140 WeakPolarHBondContact CB-SG 3.21Å; C122-C140 PolarHBondContact N-SG 2.7Å; C122-C140 VanDerWaalsContact N-SG 3.36Å; C122-C140 WeakPolarHBondContact SG-CB 3.43Å; C122-C140 CovalentContact SG-SG 2.04Å; C122-C140 PolarHBondContact SG-SG 3.23Å; I138-C140 PolarHBondContact O-N 2.79Å; C140-S142 VanDerWaalsContact C-N 3.25Å; C140-S142 PolarHBondContact O-N 3.29Å |
| 141 | D | 80.3 | Confident | 78.7 | Confident | 115 Ų | 115 | 44.7 Ų | 44.7 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.4 | 175.5 | -52.2 | -49.2 | 0 | 0 | 0 | 114 | P139 K1866 | P139-D141 PolarHBondContact O-N 3.08Å; P139-D141 VanDerWaalsContact O-N 3.07Å; D141-K1866 PolarHBondContact O-NZ 2.9Å |
| 142 | S | 82.9 | Confident | 79.3 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -62.9 | 141.2 | 169.4 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | T46 W88 P139 C140 | T46-S142 WeakPolarHBondContact CA-O 3.43Å; W88-S142 VanDerWaalsContact CZ2-O 3.25Å; W88-S142 WeakPolarHBondContact CZ2-O 3.2Å; W88-S142 PolarHBondContact NE1-O 3.14Å; P139-S142 WeakPolarHBondContact O-CB 3.49Å; P139-S142 PolarHBondContact O-N 2.74Å; P139-S142 PolarHBondContact O-OG 3.47Å; C140-S142 VanDerWaalsContact C-N 3.25Å; C140-S142 PolarHBondContact O-N 3.29Å |
| 143 | K | 85 | Confident | 79.2 | Confident | 118 Ų | 118 | 47.6 Ų | 47.6 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | trans | -101.8 | 112.2 | 177.4 | -70.1 | -160.8 | 163.5 | -154 | 0 | 110 | A44 A45 T46 | A44-K143 HydrophobicContact CB-CB 3.89Å; A45-K143 WeakPolarHBondContact O-CA 3.21Å; T46-K143 HydrophobicContact CG2-CG 4.05Å | ||
| 144 | L | 87.6 | Confident | 78.6 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 156.7 | 175 | -64.7 | 179.7 | 0 | 0 | 0 | 109.7 | A44 A45 A86 W88 M124 I138 | A44-L144 CarbonylContact C-O 3.45Å; A44-L144 WeakPolarHBondContact CA-O 3.39Å; A45-L144 PolarHBondContact N-O 2.66Å; A45-L144 PolarHBondContact O-N 2.88Å; A45-L144 VanDerWaalsContact O-N 3.16Å; A86-L144 HydrophobicContact CB-CD1 4.43Å; A86-L144 HydrophobicContact CB-CD2 4.27Å; W88-L144 HydrophobicContact CD2-CB 4.35Å; W88-L144 HydrophobicContact CD2-CD1 4.04Å; W88-L144 HydrophobicContact CE3-CD1 4.18Å; W88-L144 HydrophobicContact CG-CB 4.13Å; W88-L144 HydrophobicContact CG-CD1 4.46Å; M124-L144 HydrophobicContact CB-CD1 3.52Å; M124-L144 HydrophobicContact CG-CD1 4.25Å; M124-L144 HydrophobicContact SD-CD1 3.84Å; I138-L144 HydrophobicContact CD1-CD1 3.75Å; I138-L144 HydrophobicContact CD1-CG 4.29Å |
| 145 | S | 89 | Confident | 77.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 157.9 | 161.2 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | Y40 F41 H43 L87 W88 | Y40-S145 WeakPolarHBondContact OH-CB 3.35Å; Y40-S145 PolarHBondContact OH-OG 3.41Å; Y40-S145 VanDerWaalsContact OH-OG 3.11Å; F41-S145 VanDerWaalsContact O-CB 3.23Å; F41-S145 WeakPolarHBondContact O-CB 3.23Å; H43-S145 WeakPolarHBondContact O-CA 3.49Å; L87-S145 CarbonylContact C-O 3.46Å; L87-S145 WeakPolarHBondContact CA-O 3.02Å; L87-S145 WeakPolarHBondContact CB-O 3.38Å; W88-S145 PolarHBondContact N-O 3.14Å |
| 146 | F | 92.7 | Very high | 76.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.7 | -167.4 | 62.7 | -84.9 | 0 | 0 | 0 | 112.7 | Y40 F41 H43 A45 A50 E53 L61 W88 | Y40-F146 WeakPolarHBondContact CD2-O 3.24Å; F41-F146 HydrophobicContact CB-CD1 3.93Å; F41-F146 HydrophobicContact CB-CD2 4.02Å; F41-F146 HydrophobicContact CB-CE1 3.52Å; F41-F146 HydrophobicContact CB-CE2 3.63Å; F41-F146 HydrophobicContact CB-CG 4.15Å; F41-F146 HydrophobicContact CB-CZ 3.35Å; F41-F146 HydrophobicContact CD1-CE2 4.13Å; F41-F146 AromaticContact CD1-CZ 3.88Å; F41-F146 HydrophobicContact CD1-CZ 3.88Å; F41-F146 AromaticContact CD2-CD2 3.93Å; F41-F146 HydrophobicContact CD2-CD2 3.93Å; F41-F146 AromaticContact CD2-CE2 3.47Å; F41-F146 HydrophobicContact CD2-CE2 3.47Å; F41-F146 VanDerWaalsContact CD2-CE2 3.47Å; F41-F146 HydrophobicContact CD2-CZ 4.01Å; F41-F146 HydrophobicContact CE2-CE2 4.11Å; F41-F146 HydrophobicContact CG-CD2 4.16Å; F41-F146 HydrophobicContact CG-CE1 4.19Å; F41-F146 AromaticContact CG-CE2 3.48Å; F41-F146 HydrophobicContact CG-CE2 3.48Å; F41-F146 VanDerWaalsContact CG-CE2 3.48Å; F41-F146 AromaticContact CG-CZ 3.49Å; F41-F146 HydrophobicContact CG-CZ 3.49Å; F41-F146 VanDerWaalsContact CG-CZ 3.49Å; F41-F146 PolarHBondContact N-O 3.45Å; F41-F146 PolarHBondContact O-N 3.02Å; H43-F146 AromaticContact CD2-CE1 3.98Å; H43-F146 AromaticContact NE2-CE1 3.63Å; H43-F146 AromaticContact NE2-CZ 3.84Å; A45-F146 HydrophobicContact CB-CD1 3.84Å; A45-F146 HydrophobicContact CB-CE1 3.61Å; A50-F146 HydrophobicContact CB-CB 4.06Å; A50-F146 HydrophobicContact CB-CD1 3.84Å; A50-F146 HydrophobicContact CB-CD2 3.73Å; A50-F146 HydrophobicContact CB-CE1 4.18Å; A50-F146 HydrophobicContact CB-CE2 4.06Å; A50-F146 HydrophobicContact CB-CG 3.61Å; A50-F146 HydrophobicContact CB-CZ 4.28Å; E53-F146 HydrophobicContact CB-CE2 4.3Å; E53-F146 HydrophobicContact CB-CZ 4.07Å; E53-F146 HydrophobicContact CG-CZ 4.16Å; E53-F146 WeakPolarHBondContact OE2-CZ 3Å; L61-F146 HydrophobicContact CD2-CB 4.04Å; L61-F146 HydrophobicContact CD2-CD2 4.05Å; L61-F146 HydrophobicContact CD2-CG 4.43Å; W88-F146 HydrophobicContact CB-CB 3.77Å; W88-F146 HydrophobicContact CG-CB 4.47Å |
| 147 | V | 90 | Very high | 74.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.3 | 179.1 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | L38 Q39 Y40 L62 L87 W88 | L38-V147 HydrophobicContact CB-CG1 3.81Å; L38-V147 HydrophobicContact CD2-CG1 3.9Å; L38-V147 HydrophobicContact CG-CG1 4.3Å; Q39-V147 WeakPolarHBondContact O-CA 3.17Å; Y40-V147 HydrophobicContact CD2-CG2 3.9Å; L62-V147 HydrophobicContact CB-CB 4.39Å; L62-V147 HydrophobicContact CB-CG1 4.26Å; L62-V147 WeakPolarHBondContact CB-O 3.37Å; L62-V147 HydrophobicContact CD2-CB 4.47Å; L62-V147 HydrophobicContact CD2-CG1 4.04Å; L62-V147 PolarHBondContact N-O 2.85Å; L87-V147 HydrophobicContact CD1-CB 4.43Å; L87-V147 HydrophobicContact CD1-CG2 3.93Å; L87-V147 HydrophobicContact CD2-CG2 3.8Å; L87-V147 HydrophobicContact CG-CG2 4.4Å; W88-V147 PolarHBondContact O-N 3.01Å |
| 148 | C | 89.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.5 | 169.1 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | Q39 F41 C54 L59 S60 | Q39-C148 PolarHBondContact N-O 3.19Å; Q39-C148 PolarHBondContact O-N 3.1Å; F41-C148 HydrophobicContact CE2-CB 4.03Å; F41-C148 WeakPolarHBondContact CE2-SG 3.18Å; C54-C148 WeakPolarHBondContact CA-SG 2.99Å; C54-C148 HydrophobicContact CB-CB 3.81Å; C54-C148 WeakPolarHBondContact CB-SG 3.43Å; C54-C148 WeakPolarHBondContact SG-CB 3.27Å; C54-C148 CovalentContact SG-SG 2.03Å; C54-C148 PolarHBondContact SG-SG 3.04Å; L59-C148 HydrophobicContact CB-CB 3.85Å; L59-C148 HydrophobicContact CD1-CB 3.64Å; L59-C148 HydrophobicContact CG-CB 4.41Å; S60-C148 CarbonylContact O-C 3.6Å; S60-C148 WeakPolarHBondContact O-CA 3.47Å; S60-C148 WeakPolarHBondContact O-CB 3.4Å |
| 149 | G | 83.7 | Confident | 71.4 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 171.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S60 | S60-G149 PolarHBondContact N-O 2.83Å; S60-G149 PolarHBondContact O-N 3.44Å |
| 150 | D | 76 | Confident | 69.6 | Low | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | trans | -63.9 | 146.6 | -177.4 | -68.3 | -53.1 | 0 | 0 | 0 | 112.8 | L59 P152 | L59-D150 WeakPolarHBondContact CD2-OD1 3.42Å; D150-P152 WeakPolarHBondContact O-CD 3.47Å | ||
| 151 | I | 66.1 | Low | 67.7 | Low | 78 Ų | 78 | 67.8 Ų | 67.8 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | trans | -73.6 | 121.5 | 174.6 | -63.3 | 170.1 | 0 | 0 | 0 | 108.9 | Q153 | I151-Q153 PolarHBondContact O-N 3.33Å; I151-Q153 VanDerWaalsContact O-N 3.12Å; I151-Q153 PolarHBondContact O-NE2 3.33Å | ||
| 152 | P | 64.1 | Low | 66.1 | Low | 41 Ų | 41 | 68.2 Ų | 68.2 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | trans | -64.8 | 115.4 | 179.1 | -17.8 | 30.3 | 0 | 0 | 0 | 111 | T63 Y104 D150 I154 | T63-P152 HydrophobicContact CG2-CG 3.8Å; Y104-P152 HydrophobicContact CD2-CB 3.65Å; Y104-P152 HydrophobicContact CD2-CG 3.88Å; Y104-P152 HydrophobicContact CE2-CB 3.76Å; Y104-P152 HydrophobicContact CE2-CG 4.25Å; Y104-P152 HydrophobicContact CG-CG 4.34Å; D150-P152 WeakPolarHBondContact O-CD 3.47Å; P152-I154 PolarHBondContact O-N 3.49Å | ||
| 153 | Q | 53.2 | Low | 64.6 | Low | 175 Ų | 175 | 68.8 Ų | 68.8 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | trans | -74.5 | 95.8 | -178.9 | -61.8 | -63.2 | -54.5 | 0 | 0 | 110.8 | I151 | I151-Q153 PolarHBondContact O-N 3.33Å; I151-Q153 VanDerWaalsContact O-N 3.12Å; I151-Q153 PolarHBondContact O-NE2 3.33Å | ||
| 154 | I | 52.7 | Low | 63.1 | Low | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | trans | -104.6 | 126.2 | 161.7 | -64.1 | -177.7 | 0 | 0 | 0 | 108.3 | Y104 P152 Y156 N251 | Y104-I154 HydrophobicContact CD2-CD1 3.98Å; Y104-I154 HydrophobicContact CE2-CD1 3.39Å; Y104-I154 HydrophobicContact CE2-CG1 4.06Å; P152-I154 PolarHBondContact O-N 3.49Å; I154-Y156 HydrophobicContact CG2-CD1 4Å; I154-Y156 HydrophobicContact CG2-CD2 4.24Å; I154-Y156 HydrophobicContact CG2-CE1 3.74Å; I154-Y156 HydrophobicContact CG2-CE2 3.99Å; I154-Y156 HydrophobicContact CG2-CG 4.25Å; I154-N251 HydrophobicContact CD1-CB 4.13Å | ||
| 155 | S | 48.3 | Very low | 61.7 | Low | 89 Ų | 89 | 69 Ų | 69 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | trans | -116.7 | 110 | 167.7 | 173.5 | 0 | 0 | 0 | 0 | 108.4 | R157 | S155-R157 PolarHBondContact O-N 2.57Å; S155-R157 PolarHBondContact OG-N 2.99Å | ||
| 156 | Y | 54.7 | Low | 61 | Low | 40 Ų | 40 | 69 Ų | 69 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | trans | -74.1 | 5.3 | 173.9 | -58.8 | -71.9 | 0 | 0 | 0 | 113.2 | S105 I154 H158 N251 | S105-Y156 WeakPolarHBondContact CB-OH 3.4Å; S105-Y156 PolarHBondContact OG-OH 2.81Å; I154-Y156 HydrophobicContact CG2-CD1 4Å; I154-Y156 HydrophobicContact CG2-CD2 4.24Å; I154-Y156 HydrophobicContact CG2-CE1 3.74Å; I154-Y156 HydrophobicContact CG2-CE2 3.99Å; I154-Y156 HydrophobicContact CG2-CG 4.25Å; Y156-H158 VanDerWaalsContact C-N 3.27Å; Y156-H158 PolarHBondContact O-N 2.85Å; Y156-N251 PolarHBondContact OH-O 3.28Å | ||
| 157 | R | 47.8 | Very low | 60.2 | Low | 162 Ų | 162 | 72.1 Ų | 72.1 | 61% | 0.611 | 38% | 0.381 | S | S | * | . | trans | -72.9 | 77.8 | 176.6 | -65 | -173.9 | 176.5 | -164.8 | -3.4 | 111.2 | S155 D376 | S155-R157 PolarHBondContact O-N 2.57Å; S155-R157 PolarHBondContact OG-N 2.99Å; R157-D376 IonicContact NH2-OD1 3.53Å | ||
| 158 | H | 46.7 | Very low | 59.7 | Low | 118 Ų | 118 | 72.8 Ų | 72.8 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | trans | -65.3 | 126.7 | 160.6 | -75 | -92.4 | 0 | 0 | 0 | 108.9 | Y156 F160 | Y156-H158 VanDerWaalsContact C-N 3.27Å; Y156-H158 PolarHBondContact O-N 2.85Å; H158-F160 PolarHBondContact O-N 3.35Å | ||
| 159 | P | 45 | Very low | 59.1 | Low | 117 Ų | 117 | 74.6 Ų | 74.6 | 76% | 0.76 | 40% | 0.397 | S | S | * | . | trans | -68.2 | 121.5 | 172 | 28.2 | -32 | 0 | 0 | 0 | 108.2 | S161 | P159-S161 PolarHBondContact O-N 3.5Š| ||
| 160 | F | 43.9 | Very low | 58.6 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | trans | -51.5 | 111.1 | -179.6 | -109.6 | -94.6 | 0 | 0 | 0 | 110.7 | H158 Q163 Q368 P371 | H158-F160 PolarHBondContact O-N 3.35Å; F160-Q163 HydrophobicContact CE1-CG 4.49Å; F160-Q368 HydrophobicContact CE2-CB 4.24Å; F160-Q368 WeakPolarHBondContact CE2-O 3.19Å; F160-Q368 HydrophobicContact CZ-CB 4.12Å; F160-Q368 WeakPolarHBondContact CZ-O 3.25Å; F160-P371 HydrophobicContact CD2-CB 4.17Å | ||
| 161 | S | 43.5 | Very low | 58.3 | Low | 36 Ų | 36 | 80.3 Ų | 80.3 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | trans | -65 | 146.7 | 161.7 | 65.2 | 0 | 0 | 0 | 0 | 107.9 | P159 Q163 N177 | P159-S161 PolarHBondContact O-N 3.5Å; S161-Q163 VanDerWaalsContact C-N 3.27Å; S161-Q163 PolarHBondContact O-N 2.77Å; S161-N177 WeakPolarHBondContact CB-OD1 3.35Å; S161-N177 PolarHBondContact OG-OD1 3.05Å | ||
| 162 | N | 46.6 | Very low | 59 | Low | 124 Ų | 124 | 77.1 Ų | 77.1 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | -78.4 | 77.5 | -170.7 | -167.8 | 2.3 | 0 | 0 | 0 | 110.9 | S164 T165 | N162-S164 WeakPolarHBondContact O-CA 3.44Å; N162-S164 PolarHBondContact O-N 3.39Å; N162-S164 PolarHBondContact O-OG 3.37Å; N162-S164 PolarHBondContact OD1-OG 3.45Å; N162-T165 PolarHBondContact O-N 2.9Å; N162-T165 PolarHBondContact O-OG1 2.81Å | ||
| 163 | Q | 51.4 | Low | 59.9 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -38.4 | -28.8 | -167.1 | -71.6 | 179.1 | -16.6 | 0 | 0 | 116.2 | F160 S161 T165 L166 L174 | F160-Q163 HydrophobicContact CE1-CG 4.49Å; S161-Q163 VanDerWaalsContact C-N 3.27Å; S161-Q163 PolarHBondContact O-N 2.77Å; Q163-T165 PolarHBondContact O-N 2.94Å; Q163-L166 PolarHBondContact O-N 3.29Å; Q163-L174 HydrophobicContact CB-CD2 4.38Å |
| 164 | S | 52.4 | Low | 61.2 | Low | 81 Ų | 81 | 70.7 Ų | 70.7 | 57% | 0.566 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -43.2 | -24.5 | 166.7 | 67.3 | 0 | 0 | 0 | 0 | 116.7 | N162 | N162-S164 WeakPolarHBondContact O-CA 3.44Å; N162-S164 PolarHBondContact O-N 3.39Å; N162-S164 PolarHBondContact O-OG 3.37Å; N162-S164 PolarHBondContact OD1-OG 3.45Å |
| 165 | T | 59.3 | Low | 62.5 | Low | 74 Ų | 74 | 68.7 Ų | 68.7 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -98.6 | -2.9 | -179.1 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | N162 Q163 K301 | N162-T165 PolarHBondContact O-N 2.9Å; N162-T165 PolarHBondContact O-OG1 2.81Å; Q163-T165 PolarHBondContact O-N 2.94Å; T165-K301 WeakPolarHBondContact O-CB 3.48Å; T165-K301 PolarHBondContact O-N 3Å |
| 166 | L | 73.7 | Confident | 63.7 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.4 | -176.5 | -69.6 | 171.4 | 0 | 0 | 0 | 112.1 | Q163 L174 N177 A298 | Q163-L166 PolarHBondContact O-N 3.29Å; L166-L174 HydrophobicContact CB-CD1 4.34Å; L166-L174 HydrophobicContact CB-CD2 4.37Å; L166-N177 WeakPolarHBondContact CD1-OD1 3.5Å; L166-A298 HydrophobicContact CB-CB 4.05Å; L166-A298 HydrophobicContact CD1-CB 4.37Å; L166-A298 HydrophobicContact CD2-CB 4.14Å; L166-A298 HydrophobicContact CG-CB 4.42Å |
| 167 | I | 75.6 | Confident | 64.9 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 33% | 0.333 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.5 | 179.8 | -66.5 | -179.3 | 0 | 0 | 0 | 110.1 | E299 K301 | I167-E299 PolarHBondContact N-O 2.94Å; I167-E299 PolarHBondContact O-N 3.3Å; I167-K301 HydrophobicContact CD1-CB 3.94Å; I167-K301 HydrophobicContact CD1-CD 3.87Å; I167-K301 HydrophobicContact CD1-CG 3.66Å; I167-K301 HydrophobicContact CG1-CB 4.23Å; I167-K301 HydrophobicContact CG1-CD 4.37Å; I167-K301 HydrophobicContact CG1-CG 4.39Å |
| 168 | C | 80.2 | Confident | 66.6 | Low | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | trans | -104 | 150.8 | 171.6 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | L174 C179 | C168-L174 VanDerWaalsContact SG-CA 3.51Å; C168-L174 VanDerWaalsContact SG-CB 3.59Å; C168-L174 VanDerWaalsContact SG-CD1 3.57Å; C168-C179 WeakPolarHBondContact CA-SG 3.35Å; C168-C179 HydrophobicContact CB-CB 3.71Å; C168-C179 WeakPolarHBondContact CB-SG 3.28Å; C168-C179 WeakPolarHBondContact SG-CB 3.42Å; C168-C179 CovalentContact SG-SG 2.03Å; C168-C179 PolarHBondContact SG-SG 3.07Å | ||
| 169 | P | 77.5 | Confident | 68.6 | Low | 38 Ų | 38 | 55.4 Ų | 55.4 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | trans | -58.6 | 154.8 | 169.4 | -22.3 | 34 | 0 | 0 | 0 | 112.6 | G171 Y172 V296 | P169-G171 PolarHBondContact O-N 3.25Å; P169-Y172 HydrophobicContact CB-CD2 3.85Å; P169-Y172 HydrophobicContact CB-CE2 4.18Å; P169-Y172 HydrophobicContact CG-CD2 4.39Å; P169-Y172 WeakPolarHBondContact O-CB 3.43Å; P169-Y172 PolarHBondContact O-N 3.46Å; P169-V296 HydrophobicContact CG-CG1 4.07Å | ||
| 170 | H | 71.7 | Confident | 70.7 | Confident | 171 Ų | 171 | 49.9 Ų | 49.9 | 79% | 0.792 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 123.1 | -173.4 | -178.3 | -86.7 | 0 | 0 | 0 | 113 | ||
| 171 | G | 69.3 | Low | 72.8 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P169 | P169-G171 PolarHBondContact O-N 3.25Š|
| 172 | Y | 82.4 | Confident | 74.8 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 139.4 | 174.9 | -71.3 | -108.4 | 0 | 0 | 0 | 111.1 | P169 C179 Y180 L181 S202 C294 V296 | P169-Y172 HydrophobicContact CB-CD2 3.85Å; P169-Y172 HydrophobicContact CB-CE2 4.18Å; P169-Y172 HydrophobicContact CG-CD2 4.39Å; P169-Y172 WeakPolarHBondContact O-CB 3.43Å; P169-Y172 PolarHBondContact O-N 3.46Å; Y172-C179 HydrophobicContact CD1-CB 4.17Å; Y172-C179 WeakPolarHBondContact CD1-O 3.36Å; Y172-C179 HydrophobicContact CG-CB 4.4Å; Y172-Y180 CarbonylContact C-O 3.53Å; Y172-Y180 WeakPolarHBondContact CA-O 3.35Å; Y172-L181 HydrophobicContact CD1-CB 3.4Å; Y172-L181 VanDerWaalsContact CD1-CB 3.4Å; Y172-L181 HydrophobicContact CD1-CD2 4.49Å; Y172-L181 HydrophobicContact CD2-CB 3.99Å; Y172-L181 HydrophobicContact CD2-CD2 3.6Å; Y172-L181 HydrophobicContact CD2-CG 4.46Å; Y172-L181 HydrophobicContact CE1-CB 3.53Å; Y172-L181 HydrophobicContact CE1-CD2 4.37Å; Y172-L181 HydrophobicContact CE2-CB 4.1Å; Y172-L181 HydrophobicContact CE2-CD2 3.44Å; Y172-L181 VanDerWaalsContact CE2-CD2 3.44Å; Y172-L181 HydrophobicContact CE2-CG 4.43Å; Y172-L181 HydrophobicContact CG-CB 3.64Å; Y172-L181 HydrophobicContact CG-CD2 4.13Å; Y172-S202 PolarHBondContact OH-OG 2.98Å; Y172-C294 HydrophobicContact CE1-CB 4.07Å; Y172-V296 HydrophobicContact CD1-CG1 3.9Å; Y172-V296 HydrophobicContact CE1-CB 4.5Å; Y172-V296 HydrophobicContact CE1-CG1 3.81Å; Y172-V296 HydrophobicContact CG-CG1 4.49Å |
| 173 | K | 82.5 | Confident | 76.6 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.6 | 174 | -60.2 | -172.7 | -172.4 | 174.7 | 0 | 111.1 | C179 Y180 L223 S314 I316 | K173-C179 CarbonylContact O-C 3.43Å; K173-C179 WeakPolarHBondContact O-CA 3.46Å; K173-Y180 PolarHBondContact N-O 3.36Å; K173-Y180 PolarHBondContact O-N 2.91Å; K173-L223 HydrophobicContact CD-CD1 3.79Å; K173-L223 VanDerWaalsContact NZ-CD1 3.25Å; K173-S314 WeakPolarHBondContact CA-O 3.38Å; K173-S314 VanDerWaalsContact CB-O 3.22Å; K173-S314 WeakPolarHBondContact CB-O 3.44Å; K173-I316 HydrophobicContact CB-CG1 4Å; K173-I316 HydrophobicContact CD-CG1 4.2Å |
| 174 | L | 79.9 | Confident | 77.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.6 | 178.4 | -176.7 | 66 | 0 | 0 | 0 | 110.6 | Q163 L166 C168 A298 S314 L315 | Q163-L174 HydrophobicContact CB-CD2 4.38Å; L166-L174 HydrophobicContact CB-CD1 4.34Å; L166-L174 HydrophobicContact CB-CD2 4.37Å; C168-L174 VanDerWaalsContact SG-CA 3.51Å; C168-L174 VanDerWaalsContact SG-CB 3.59Å; C168-L174 VanDerWaalsContact SG-CD1 3.57Å; L174-A298 HydrophobicContact CD1-CB 3.74Å; L174-S314 PolarHBondContact N-O 3.05Å; L174-L315 HydrophobicContact CB-CD2 4.42Å; L174-L315 HydrophobicContact CD2-CD2 4.18Å; L174-L315 HydrophobicContact CG-CD2 4.43Å |
| 175 | F | 79.6 | Confident | 78 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 122.6 | 167.8 | -179.8 | -99.7 | 0 | 0 | 0 | 110.8 | N177 N178 Y180 M215 E216 A219 I316 L365 Q368 | F175-N177 PolarHBondContact O-N 2.95Å; F175-N178 CarbonylContact C-O 3.16Å; F175-N178 PolarHBondContact N-O 3.37Å; F175-N178 CarbonylContact O-C 3.39Å; F175-N178 PolarHBondContact O-N 3.49Å; F175-Y180 HydrophobicContact CB-CD2 4.02Å; F175-Y180 HydrophobicContact CB-CE2 3.85Å; F175-Y180 HydrophobicContact CD1-CE2 4.21Å; F175-M215 HydrophobicContact CZ-CB 4.1Å; F175-M215 WeakPolarHBondContact CZ-O 3.34Å; F175-E216 HydrophobicContact CE1-CB 4.18Å; F175-A219 HydrophobicContact CD1-CB 3.77Å; F175-A219 HydrophobicContact CD2-CB 3.7Å; F175-A219 HydrophobicContact CE1-CB 3.9Å; F175-A219 HydrophobicContact CE2-CB 3.83Å; F175-A219 HydrophobicContact CG-CB 3.68Å; F175-A219 HydrophobicContact CZ-CB 3.93Å; F175-I316 HydrophobicContact CB-CD1 3.85Å; F175-I316 HydrophobicContact CD2-CD1 4.4Å; F175-I316 HydrophobicContact CG-CD1 4.3Å; F175-L365 HydrophobicContact CD2-CD1 4.18Å; F175-L365 HydrophobicContact CE2-CD1 3.52Å; F175-L365 HydrophobicContact CZ-CD1 4.3Å; F175-Q368 VanDerWaalsContact CE2-OE1 3.25Å |
| 176 | D | 74 | Confident | 77.8 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | -124.3 | -165.5 | -175.1 | 59.1 | 0 | 0 | 0 | 111.6 | ||
| 177 | N | 79.2 | Confident | 76.8 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8.7 | 179 | -59.9 | -81.2 | 0 | 0 | 0 | 112.9 | S161 L166 F175 A298 | S161-N177 WeakPolarHBondContact CB-OD1 3.35Å; S161-N177 PolarHBondContact OG-OD1 3.05Å; L166-N177 WeakPolarHBondContact CD1-OD1 3.5Å; F175-N177 PolarHBondContact O-N 2.95Å; N177-A298 WeakPolarHBondContact O-CB 3.5Å; N177-A298 PolarHBondContact O-N 3.27Å |
| 178 | N | 84.3 | Confident | 75.8 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 160.3 | -178.7 | -77.9 | -50.2 | 0 | 0 | 0 | 111.5 | F175 Y180 R246 Q295 | F175-N178 CarbonylContact C-O 3.16Å; F175-N178 PolarHBondContact N-O 3.37Å; F175-N178 CarbonylContact O-C 3.39Å; F175-N178 PolarHBondContact O-N 3.49Å; N178-Y180 HydrophobicContact CB-CD2 4.41Å; N178-Y180 HydrophobicContact CB-CE2 3.43Å; N178-Y180 VanDerWaalsContact CB-CE2 3.43Å; N178-Y180 VanDerWaalsContact CB-CZ 3.5Å; N178-Y180 WeakPolarHBondContact CB-OH 3.18Å; N178-Y180 PolarHBondContact ND2-OH 3.03Å; N178-R246 PolarHBondContact OD1-NH1 3.46Å; N178-Q295 HydrophobicContact CB-CG 4.32Å; N178-Q295 PolarHBondContact ND2-NE2 3.33Å |
| 179 | C | 87.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.1 | -177.7 | -66.8 | 0 | 0 | 0 | 0 | 109.2 | C168 Y172 K173 Q295 V296 A298 | C168-C179 WeakPolarHBondContact CA-SG 3.35Å; C168-C179 HydrophobicContact CB-CB 3.71Å; C168-C179 WeakPolarHBondContact CB-SG 3.28Å; C168-C179 WeakPolarHBondContact SG-CB 3.42Å; C168-C179 CovalentContact SG-SG 2.03Å; C168-C179 PolarHBondContact SG-SG 3.07Å; Y172-C179 HydrophobicContact CD1-CB 4.17Å; Y172-C179 WeakPolarHBondContact CD1-O 3.36Å; Y172-C179 HydrophobicContact CG-CB 4.4Å; K173-C179 CarbonylContact O-C 3.43Å; K173-C179 WeakPolarHBondContact O-CA 3.46Å; C179-Q295 CarbonylContact O-C 3.52Å; C179-Q295 VanDerWaalsContact O-CA 3.3Å; C179-Q295 WeakPolarHBondContact O-CA 3.21Å; C179-V296 HydrophobicContact CB-CG1 3.71Å; C179-V296 WeakPolarHBondContact CB-O 3.31Å; C179-V296 PolarHBondContact N-O 3.41Å; C179-V296 PolarHBondContact O-N 3.15Å; C179-A298 VanDerWaalsContact SG-CA 3.59Å; C179-A298 VanDerWaalsContact SG-CB 3.53Å |
| 180 | Y | 89.8 | Confident | 76 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.3 | -172.3 | -56.1 | -95.3 | 0 | 0 | 0 | 112.2 | Y172 K173 F175 N178 A209 E216 L220 I293 C294 Q295 | Y172-Y180 CarbonylContact C-O 3.53Å; Y172-Y180 WeakPolarHBondContact CA-O 3.35Å; K173-Y180 PolarHBondContact N-O 3.36Å; K173-Y180 PolarHBondContact O-N 2.91Å; F175-Y180 HydrophobicContact CB-CD2 4.02Å; F175-Y180 HydrophobicContact CB-CE2 3.85Å; F175-Y180 HydrophobicContact CD1-CE2 4.21Å; N178-Y180 HydrophobicContact CB-CD2 4.41Å; N178-Y180 HydrophobicContact CB-CE2 3.43Å; N178-Y180 VanDerWaalsContact CB-CE2 3.43Å; N178-Y180 VanDerWaalsContact CB-CZ 3.5Å; N178-Y180 WeakPolarHBondContact CB-OH 3.18Å; N178-Y180 PolarHBondContact ND2-OH 3.03Å; Y180-A209 HydrophobicContact CD1-CB 4.19Å; Y180-A209 HydrophobicContact CE1-CB 4.38Å; Y180-E216 HydrophobicContact CE1-CG 4.5Å; Y180-E216 PolarHBondContact OH-OE1 2.71Å; Y180-L220 HydrophobicContact CD1-CD1 4.47Å; Y180-L220 HydrophobicContact CD1-CD2 3.63Å; Y180-L220 HydrophobicContact CE1-CD1 4.39Å; Y180-L220 HydrophobicContact CE1-CD2 4.2Å; Y180-L220 HydrophobicContact CG-CD2 3.91Å; Y180-I293 HydrophobicContact CD1-CG2 4.46Å; Y180-C294 CarbonylContact C-O 3.56Å; Y180-C294 WeakPolarHBondContact CA-O 3.21Å; Y180-Q295 HydrophobicContact CD1-CB 3.98Å; Y180-Q295 HydrophobicContact CD1-CG 3.91Å; Y180-Q295 HydrophobicContact CE1-CB 4.05Å; Y180-Q295 HydrophobicContact CE1-CG 3.55Å; Y180-Q295 VanDerWaalsContact CE1-NE2 3.33Å; Y180-Q295 PolarHBondContact OH-NE2 3.32Å; Y180-Q295 VanDerWaalsContact OH-NE2 3.09Å |
| 181 | L | 87.2 | Confident | 76.8 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 106.4 | 179.4 | 176.8 | 48.7 | 0 | 0 | 0 | 110.7 | Y172 R183 C294 | Y172-L181 HydrophobicContact CD1-CB 3.4Å; Y172-L181 VanDerWaalsContact CD1-CB 3.4Å; Y172-L181 HydrophobicContact CD1-CD2 4.49Å; Y172-L181 HydrophobicContact CD2-CB 3.99Å; Y172-L181 HydrophobicContact CD2-CD2 3.6Å; Y172-L181 HydrophobicContact CD2-CG 4.46Å; Y172-L181 HydrophobicContact CE1-CB 3.53Å; Y172-L181 HydrophobicContact CE1-CD2 4.37Å; Y172-L181 HydrophobicContact CE2-CB 4.1Å; Y172-L181 HydrophobicContact CE2-CD2 3.44Å; Y172-L181 VanDerWaalsContact CE2-CD2 3.44Å; Y172-L181 HydrophobicContact CE2-CG 4.43Å; Y172-L181 HydrophobicContact CG-CB 3.64Å; Y172-L181 HydrophobicContact CG-CD2 4.13Å; L181-R183 VanDerWaalsContact CD2-NH2 3.34Å; L181-C294 PolarHBondContact N-O 2.99Å; L181-C294 PolarHBondContact O-N 2.91Å |
| 182 | L | 87.2 | Confident | 77.9 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.7 | 170.3 | 172.6 | 56.6 | 0 | 0 | 0 | 110.1 | E184 L223 I224 V231 I293 | L182-E184 HydrophobicContact CD1-CG 3.87Å; L182-E184 HydrophobicContact CD2-CG 4.09Å; L182-E184 WeakPolarHBondContact CD2-OE1 3.37Å; L182-E184 HydrophobicContact CG-CG 3.62Å; L182-L223 HydrophobicContact CB-CD1 4.39Å; L182-L223 HydrophobicContact CB-CD2 4.07Å; L182-L223 HydrophobicContact CB-CG 4Å; L182-L223 HydrophobicContact CD2-CD1 4.43Å; L182-L223 HydrophobicContact CD2-CG 4.03Å; L182-L223 VanDerWaalsContact CD2-O 3.27Å; L182-L223 WeakPolarHBondContact CD2-O 3.32Å; L182-I224 HydrophobicContact CD1-CG2 4.1Å; L182-I224 HydrophobicContact CD2-CB 4.47Å; L182-I224 HydrophobicContact CD2-CG2 3.95Å; L182-V231 HydrophobicContact CD1-CG1 3.63Å; L182-I293 HydrophobicContact CD1-CG1 4.08Å |
| 183 | R | 83.5 | Confident | 78.2 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.6 | 178.3 | -63.5 | -60.7 | -163.9 | 174.7 | 3.1 | 110 | L181 N291 Y292 | L181-R183 VanDerWaalsContact CD2-NH2 3.34Å; R183-N291 WeakPolarHBondContact O-CB 3.32Å; R183-Y292 HydrophobicContact CB-CD1 4.2Å; R183-Y292 HydrophobicContact CB-CD2 4.18Å; R183-Y292 HydrophobicContact CB-CE1 3.86Å; R183-Y292 HydrophobicContact CB-CE2 3.86Å; R183-Y292 HydrophobicContact CB-CG 4.32Å; R183-Y292 HydrophobicContact CG-CD2 4.2Å; R183-Y292 HydrophobicContact CG-CE2 3.66Å; R183-Y292 PolarHBondContact N-O 3.11Å; R183-Y292 PolarHBondContact O-N 3.43Å |
| 184 | E | 72.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | trans | -128.7 | 22.6 | -169.3 | -53 | 174.5 | 119.8 | 0 | 0 | 112.5 | L182 P186 S227 | L182-E184 HydrophobicContact CD1-CG 3.87Å; L182-E184 HydrophobicContact CD2-CG 4.09Å; L182-E184 WeakPolarHBondContact CD2-OE1 3.37Å; L182-E184 HydrophobicContact CG-CG 3.62Å; E184-P186 VanDerWaalsContact O-CD 3.29Å; E184-P186 WeakPolarHBondContact O-CD 3.32Å; E184-S227 WeakPolarHBondContact OE1-CA 3.42Å; E184-S227 WeakPolarHBondContact OE1-CB 3.31Å | ||
| 185 | D | 61.5 | Low | 78.9 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | trans | -61.1 | 119.1 | 179.4 | -170.7 | -44.5 | 0 | 0 | 0 | 109.9 | S187 G188 | D185-S187 PolarHBondContact O-N 2.99Å; D185-S187 VanDerWaalsContact O-N 3.11Å; D185-S187 WeakPolarHBondContact OD1-CA 3.11Å; D185-S187 WeakPolarHBondContact OD1-CB 3.48Å; D185-S187 PolarHBondContact OD1-N 3.44Å; D185-S187 PolarHBondContact OD1-OG 3.49Å; D185-G188 PolarHBondContact O-N 3.25Å; D185-G188 PolarHBondContact OD1-N 3.43Å | ||
| 186 | P | 53.1 | Low | 79.4 | Confident | 112 Ų | 112 | 50 Ų | 50 | 73% | 0.727 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.9 | -178 | -25.6 | 35.4 | 0 | 0 | 0 | 113.7 | E184 | E184-P186 VanDerWaalsContact O-CD 3.29Å; E184-P186 WeakPolarHBondContact O-CD 3.32Å |
| 187 | S | 52.9 | Low | 80 | Confident | 110 Ų | 110 | 54.5 Ų | 54.5 | 77% | 0.769 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11 | 177.1 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | D185 | D185-S187 PolarHBondContact O-N 2.99Å; D185-S187 VanDerWaalsContact O-N 3.11Å; D185-S187 WeakPolarHBondContact OD1-CA 3.11Å; D185-S187 WeakPolarHBondContact OD1-CB 3.48Å; D185-S187 PolarHBondContact OD1-N 3.44Å; D185-S187 PolarHBondContact OD1-OG 3.49Å |
| 188 | G | 55 | Low | 80.4 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | trans | -113.5 | 24.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D185 | D185-G188 PolarHBondContact O-N 3.25Å; D185-G188 PolarHBondContact OD1-N 3.43Å | ||
| 189 | R | 77.8 | Confident | 80.7 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | trans | -69.1 | 137 | 172.6 | -59.3 | -174.6 | -157.2 | 172.2 | 5.9 | 110.6 | H229 L290 | R189-H229 PolarHBondContact NH1-CD2 3.01Å; R189-H229 PolarHBondContact NH1-NE2 3.27Å; R189-H229 PolarHBondContact NH2-CE1 2.63Å; R189-H229 PolarHBondContact NH2-ND1 2.9Å; R189-H229 PolarHBondContact NH2-NE2 2.89Å; R189-L290 VanDerWaalsContact CA-O 3.29Å; R189-L290 WeakPolarHBondContact CA-O 3.47Å | ||
| 190 | L | 85.5 | Confident | 80.6 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -132.6 | 150.1 | -169.9 | -69.1 | 174.9 | 0 | 0 | 0 | 112.6 | K194 A195 R198 W232 S289 L290 Y292 | L190-K194 HydrophobicContact CB-CB 4.13Å; L190-K194 HydrophobicContact CD1-CB 4.38Å; L190-K194 HydrophobicContact CD2-CB 4.11Å; L190-K194 HydrophobicContact CD2-CD 4.37Å; L190-K194 HydrophobicContact CG-CB 4.43Å; L190-A195 HydrophobicContact CB-CB 4.04Å; L190-R198 HydrophobicContact CD1-CB 3.78Å; L190-R198 HydrophobicContact CD1-CG 4.04Å; L190-W232 VanDerWaalsContact O-CD1 3.26Å; L190-W232 PolarHBondContact O-NE1 3.26Å; L190-S289 WeakPolarHBondContact O-CA 3.3Å; L190-L290 PolarHBondContact N-O 2.77Å; L190-L290 PolarHBondContact O-N 3.48Å; L190-L290 VanDerWaalsContact O-N 3.11Å; L190-Y292 HydrophobicContact CB-CE1 4.49Å; L190-Y292 HydrophobicContact CD1-CE1 3.98Å; L190-Y292 HydrophobicContact CG-CE1 4.4Å |
| 191 | A | 87.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | trans | -61 | 150.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D193 K194 A195 S288 | A191-D193 PolarHBondContact O-N 3.22Å; A191-K194 CarbonylContact O-C 3.25Å; A191-K194 WeakPolarHBondContact O-CA 3.49Å; A191-K194 WeakPolarHBondContact O-CB 3.46Å; A191-K194 PolarHBondContact O-N 2.77Å; A191-A195 PolarHBondContact O-N 3.15Å; A191-S288 WeakPolarHBondContact CA-O 3.28Å | ||
| 192 | W | 91.6 | Very high | 79.5 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.6 | -48.5 | -169.2 | -173.1 | 94.8 | 0 | 0 | 0 | 113.5 | K194 A195 D196 L208 W232 I233 Y236 I245 C268 C286 | W192-K194 VanDerWaalsContact C-N 3.34Å; W192-K194 PolarHBondContact O-N 2.97Å; W192-A195 WeakPolarHBondContact O-CB 3.23Å; W192-A195 PolarHBondContact O-N 3.14Å; W192-D196 PolarHBondContact O-N 3.12Å; W192-L208 HydrophobicContact CD2-CD1 3.82Å; W192-L208 HydrophobicContact CG-CD1 3.88Å; W192-L208 HydrophobicContact CZ2-CD1 4.21Å; W192-W232 HydrophobicContact CB-CD2 4.01Å; W192-W232 HydrophobicContact CB-CE3 4.39Å; W192-W232 HydrophobicContact CB-CG 4.4Å; W192-W232 HydrophobicContact CB-CH2 4.34Å; W192-W232 HydrophobicContact CB-CZ2 3.97Å; W192-W232 AromaticContact CD1-CD2 3.69Å; W192-W232 AromaticContact CD1-CE3 3.57Å; W192-W232 AromaticContact CD1-CG 3.96Å; W192-W232 HydrophobicContact CG-CD2 4.28Å; W192-W232 HydrophobicContact CG-CE3 4.39Å; W192-I233 PolarHBondContact NE1-O 3.07Å; W192-Y236 AromaticContact CH2-CD1 3.56Å; W192-Y236 HydrophobicContact CH2-CD1 3.56Å; W192-Y236 HydrophobicContact CH2-CE1 4.23Å; W192-Y236 AromaticContact CH2-CG 3.91Å; W192-Y236 HydrophobicContact CH2-CG 3.91Å; W192-Y236 AromaticContact CZ2-CD1 3.75Å; W192-Y236 HydrophobicContact CZ2-CD1 3.75Å; W192-Y236 HydrophobicContact CZ2-CG 4.12Å; W192-I245 HydrophobicContact CH2-CB 4.25Å; W192-I245 HydrophobicContact CH2-CD1 3.55Å; W192-I245 HydrophobicContact CH2-CG1 3.97Å; W192-I245 HydrophobicContact CZ2-CB 4.44Å; W192-I245 HydrophobicContact CZ2-CD1 4.18Å; W192-I245 HydrophobicContact CZ3-CD1 4.11Å; W192-C268 HydrophobicContact CB-CB 3.94Å; W192-C268 HydrophobicContact CD2-CB 4.16Å; W192-C268 HydrophobicContact CG-CB 3.62Å; W192-C286 HydrophobicContact CB-CB 4.22Å; W192-C286 PolarHBondContact N-O 2.97Å |
| 193 | D | 88.3 | Confident | 79 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 179.4 | -64.9 | -63.3 | 0 | 0 | 0 | 112 | A191 D196 E197 R266 | A191-D193 PolarHBondContact O-N 3.22Å; D193-D196 PolarHBondContact O-N 3.29Å; D193-E197 WeakPolarHBondContact O-CG 3.46Å; D193-E197 PolarHBondContact O-N 3.11Å; D193-R266 IonicContact OD1-CZ 2.68Å; D193-R266 IonicContact OD1-NH1 3.16Å; D193-R266 PolarHBondContact OD1-NH1 3.39Å; D193-R266 IonicContact OD1-NH2 3.84Å; D193-R266 PolarHBondContact OD1-NH2 2.84Å; D193-R266 IonicContact OD2-NH1 2.76Å; D193-R266 PolarHBondContact OD2-NH1 3.29Å |
| 194 | K | 88.8 | Confident | 78.7 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.1 | -33 | 176.3 | -66.4 | -176.4 | 179.5 | 179.4 | 0 | 112.3 | L190 A191 W192 D196 R198 | L190-K194 HydrophobicContact CB-CB 4.13Å; L190-K194 HydrophobicContact CD1-CB 4.38Å; L190-K194 HydrophobicContact CD2-CB 4.11Å; L190-K194 HydrophobicContact CD2-CD 4.37Å; L190-K194 HydrophobicContact CG-CB 4.43Å; A191-K194 CarbonylContact O-C 3.25Å; A191-K194 WeakPolarHBondContact O-CA 3.49Å; A191-K194 WeakPolarHBondContact O-CB 3.46Å; A191-K194 PolarHBondContact O-N 2.77Å; W192-K194 VanDerWaalsContact C-N 3.34Å; W192-K194 PolarHBondContact O-N 2.97Å; K194-D196 VanDerWaalsContact C-N 3.35Å; K194-R198 VanDerWaalsContact O-CB 3.24Å; K194-R198 WeakPolarHBondContact O-CB 3.43Å; K194-R198 PolarHBondContact O-N 2.81Å |
| 195 | A | 89.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L190 A191 W192 R198 C199 L208 Y292 | L190-A195 HydrophobicContact CB-CB 4.04Å; A191-A195 PolarHBondContact O-N 3.15Å; W192-A195 WeakPolarHBondContact O-CB 3.23Å; W192-A195 PolarHBondContact O-N 3.14Å; A195-R198 PolarHBondContact O-N 3.37Å; A195-C199 PolarHBondContact O-N 3.49Å; A195-C199 PolarHBondContact O-SG 2.92Å; A195-C199 VanDerWaalsContact O-SG 3.33Å; A195-L208 HydrophobicContact CB-CD1 4.43Å; A195-L208 HydrophobicContact CB-CD2 4.01Å; A195-Y292 HydrophobicContact CB-CD1 3.92Å; A195-Y292 HydrophobicContact CB-CD2 4Å; A195-Y292 HydrophobicContact CB-CE1 4.47Å; A195-Y292 HydrophobicContact CB-CG 3.7Å |
| 196 | D | 89.9 | Confident | 80.3 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.053 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 174 | -173.5 | 62.8 | 0 | 0 | 0 | 113.2 | W192 D193 K194 R198 C199 K200 S207 L208 I245 | W192-D196 PolarHBondContact O-N 3.12Å; D193-D196 PolarHBondContact O-N 3.29Å; K194-D196 VanDerWaalsContact C-N 3.35Å; D196-R198 PolarHBondContact O-N 3.34Å; D196-C199 WeakPolarHBondContact O-CB 3.26Å; D196-C199 PolarHBondContact O-N 2.85Å; D196-C199 VanDerWaalsContact O-N 3.11Å; D196-K200 WeakPolarHBondContact O-CG 3.32Å; D196-K200 PolarHBondContact O-N 3.48Å; D196-K200 WeakPolarHBondContact OD2-CD 3.31Å; D196-K200 WeakPolarHBondContact OD2-CE 3.37Å; D196-K200 IonicContact OD2-NZ 3.5Å; D196-K200 PolarHBondContact OD2-NZ 3.31Å; D196-S207 WeakPolarHBondContact OD1-CA 3.34Å; D196-S207 WeakPolarHBondContact OD1-CB 3.3Å; D196-L208 HydrophobicContact CB-CD1 3.95Å; D196-L208 HydrophobicContact CB-CG 3.86Å; D196-L208 PolarHBondContact OD1-N 2.92Å; D196-I245 HydrophobicContact CB-CD1 4.09Å; D196-I245 WeakPolarHBondContact OD1-CD1 3.48Å; D196-I245 VanDerWaalsContact OD2-CD1 3.25Å; D196-I245 WeakPolarHBondContact OD2-CD1 3.24Å |
| 197 | E | 87.5 | Confident | 82.1 | Confident | 132 Ų | 132 | 62.3 Ų | 62.3 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -52.4 | -40.7 | 168.7 | -76.6 | -178.9 | 159.3 | 0 | 0 | 111.3 | D193 K200 A201 | D193-E197 WeakPolarHBondContact O-CG 3.46Å; D193-E197 PolarHBondContact O-N 3.11Å; E197-K200 PolarHBondContact O-N 2.89Å; E197-A201 VanDerWaalsContact O-CB 3.25Å; E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.5Å |
| 198 | R | 86.9 | Confident | 84 | Confident | 154 Ų | 154 | 57 Ų | 57 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -75.1 | -28 | -179.7 | -166.7 | 56.5 | 166.5 | 169.7 | -2.1 | 113.2 | L190 K194 A195 D196 S202 Y292 | L190-R198 HydrophobicContact CD1-CB 3.78Å; L190-R198 HydrophobicContact CD1-CG 4.04Å; K194-R198 VanDerWaalsContact O-CB 3.24Å; K194-R198 WeakPolarHBondContact O-CB 3.43Å; K194-R198 PolarHBondContact O-N 2.81Å; A195-R198 PolarHBondContact O-N 3.37Å; D196-R198 PolarHBondContact O-N 3.34Å; R198-S202 PolarHBondContact O-N 3.02Å; R198-Y292 HydrophobicContact CB-CE2 4.44Å; R198-Y292 WeakPolarHBondContact CG-OH 3.46Å |
| 199 | C | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -53.2 | 165.9 | -66 | 0 | 0 | 0 | 0 | 110.6 | A195 D196 A201 S202 N203 A206 C294 | A195-C199 PolarHBondContact O-N 3.49Å; A195-C199 PolarHBondContact O-SG 2.92Å; A195-C199 VanDerWaalsContact O-SG 3.33Å; D196-C199 WeakPolarHBondContact O-CB 3.26Å; D196-C199 PolarHBondContact O-N 2.85Å; D196-C199 VanDerWaalsContact O-N 3.11Å; C199-A201 VanDerWaalsContact C-N 3.26Å; C199-A201 PolarHBondContact O-N 2.98Å; C199-S202 PolarHBondContact O-N 2.96Å; C199-S202 PolarHBondContact O-OG 3.14Å; C199-N203 PolarHBondContact O-N 2.95Å; C199-A206 HydrophobicContact CB-CB 4.44Å; C199-C294 WeakPolarHBondContact CA-SG 3.37Å; C199-C294 HydrophobicContact CB-CB 3.74Å; C199-C294 WeakPolarHBondContact CB-SG 3.35Å; C199-C294 WeakPolarHBondContact SG-CA 3.43Å; C199-C294 WeakPolarHBondContact SG-CB 3.17Å; C199-C294 CovalentContact SG-SG 2.04Å; C199-C294 PolarHBondContact SG-SG 3.5Å |
| 200 | K | 87.1 | Confident | 86.2 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.8 | -33.1 | 178.1 | -72.1 | 170 | 175.2 | 164.8 | 0 | 113.5 | D196 E197 S202 N203 T204 A206 | D196-K200 WeakPolarHBondContact O-CG 3.32Å; D196-K200 PolarHBondContact O-N 3.48Å; D196-K200 WeakPolarHBondContact OD2-CD 3.31Å; D196-K200 WeakPolarHBondContact OD2-CE 3.37Å; D196-K200 IonicContact OD2-NZ 3.5Å; D196-K200 PolarHBondContact OD2-NZ 3.31Å; E197-K200 PolarHBondContact O-N 2.89Å; K200-S202 VanDerWaalsContact C-N 3.29Å; K200-S202 PolarHBondContact O-N 2.92Å; K200-N203 CarbonylContact C-O 3.59Å; K200-N203 WeakPolarHBondContact CA-O 3.35Å; K200-N203 CarbonylContact O-C 3.53Å; K200-N203 VanDerWaalsContact O-O 3.08Å; K200-T204 WeakPolarHBondContact O-CA 3.47Å; K200-T204 PolarHBondContact O-N 3.04Å; K200-A206 WeakPolarHBondContact CG-O 3.22Å |
| 201 | A | 78.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E197 C199 | E197-A201 VanDerWaalsContact O-CB 3.25Å; E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.5Å; C199-A201 VanDerWaalsContact C-N 3.26Å; C199-A201 PolarHBondContact O-N 2.98Å |
| 202 | S | 75.4 | Confident | 86.1 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -29.7 | 176.3 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | Y172 R198 C199 K200 | Y172-S202 PolarHBondContact OH-OG 2.98Å; R198-S202 PolarHBondContact O-N 3.02Å; C199-S202 PolarHBondContact O-N 2.96Å; C199-S202 PolarHBondContact O-OG 3.14Å; K200-S202 VanDerWaalsContact C-N 3.29Å; K200-S202 PolarHBondContact O-N 2.92Å |
| 203 | N | 75.1 | Confident | 85.4 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | trans | -154.8 | 130.4 | 163.7 | 177.5 | -29.1 | 0 | 0 | 0 | 106.8 | C199 K200 L205 A206 | C199-N203 PolarHBondContact O-N 2.95Å; K200-N203 CarbonylContact C-O 3.59Å; K200-N203 WeakPolarHBondContact CA-O 3.35Å; K200-N203 CarbonylContact O-C 3.53Å; K200-N203 VanDerWaalsContact O-O 3.08Å; N203-L205 PolarHBondContact O-N 2.81Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 PolarHBondContact OD1-N 3.17Å; N203-A206 HydrophobicContact CB-CB 4.09Å; N203-A206 WeakPolarHBondContact O-CB 3.44Å; N203-A206 PolarHBondContact O-N 3.47Å | ||
| 204 | T | 77 | Confident | 84.8 | Confident | 126 Ų | 126 | 47.4 Ų | 47.4 | 77% | 0.773 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.5 | -175.1 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | K200 | K200-T204 WeakPolarHBondContact O-CA 3.47Å; K200-T204 PolarHBondContact O-N 3.04Å |
| 205 | L | 81.2 | Confident | 84.2 | Confident | 127 Ų | 127 | 42.5 Ų | 42.5 | 67% | 0.665 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.4 | 173.6 | -61.2 | 177.3 | 0 | 0 | 0 | 113.6 | N203 V296 | N203-L205 PolarHBondContact O-N 2.81Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 PolarHBondContact OD1-N 3.17Å; L205-V296 HydrophobicContact CB-CG2 3.99Å |
| 206 | A | 87.1 | Confident | 83.9 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | trans | -85.8 | 144.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C199 K200 N203 Q295 V296 | C199-A206 HydrophobicContact CB-CB 4.44Å; K200-A206 WeakPolarHBondContact CG-O 3.22Å; N203-A206 HydrophobicContact CB-CB 4.09Å; N203-A206 WeakPolarHBondContact O-CB 3.44Å; N203-A206 PolarHBondContact O-N 3.47Å; A206-Q295 CarbonylContact C-O 3.58Å; A206-Q295 WeakPolarHBondContact CA-O 3.34Å; A206-V296 HydrophobicContact CB-CB 3.96Å; A206-V296 HydrophobicContact CB-CG2 4.36Å | ||
| 207 | S | 91.4 | Very high | 83.7 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -179.2 | 168.9 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | D196 R246 C294 Q295 | D196-S207 WeakPolarHBondContact OD1-CA 3.34Å; D196-S207 WeakPolarHBondContact OD1-CB 3.3Å; S207-R246 VanDerWaalsContact OG-CG 3.32Å; S207-R246 WeakPolarHBondContact OG-CG 3.38Å; S207-C294 CarbonylContact O-C 3.43Å; S207-C294 VanDerWaalsContact O-CA 3.26Å; S207-C294 WeakPolarHBondContact O-CA 3.11Å; S207-Q295 PolarHBondContact N-O 3.27Å; S207-Q295 PolarHBondContact O-N 3.46Å |
| 208 | L | 92.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 145.4 | 156.3 | -71.8 | 174.9 | 0 | 0 | 0 | 111.1 | W192 A195 D196 W232 Y292 I293 | W192-L208 HydrophobicContact CD2-CD1 3.82Å; W192-L208 HydrophobicContact CG-CD1 3.88Å; W192-L208 HydrophobicContact CZ2-CD1 4.21Å; A195-L208 HydrophobicContact CB-CD1 4.43Å; A195-L208 HydrophobicContact CB-CD2 4.01Å; D196-L208 HydrophobicContact CB-CD1 3.95Å; D196-L208 HydrophobicContact CB-CG 3.86Å; D196-L208 PolarHBondContact OD1-N 2.92Å; L208-W232 HydrophobicContact CD1-CB 4.28Å; L208-W232 HydrophobicContact CD2-CB 4.18Å; L208-Y292 HydrophobicContact CD2-CD2 4.15Å; L208-Y292 HydrophobicContact CD2-CG 4.38Å; L208-I293 WeakPolarHBondContact CA-O 3.32Å |
| 209 | A | 91.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 130.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y180 L220 G234 I293 Q295 | Y180-A209 HydrophobicContact CD1-CB 4.19Å; Y180-A209 HydrophobicContact CE1-CB 4.38Å; A209-L220 HydrophobicContact CB-CD1 4.44Å; A209-G234 PolarHBondContact O-N 3.24Å; A209-I293 HydrophobicContact CB-CB 4.03Å; A209-I293 HydrophobicContact CB-CG2 3.92Å; A209-I293 PolarHBondContact N-O 3.19Å; A209-Q295 HydrophobicContact CB-CB 3.79Å |
| 210 | T | 89 | Confident | 83.3 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 157.3 | 168.4 | 65.2 | 0 | 0 | 0 | 0 | 111 | E216 W244 I245 R246 D248 Q295 | T210-E216 VanDerWaalsContact O-OE1 3.13Å; T210-W244 VanDerWaalsContact CA-CE3 3.49Å; T210-W244 HydrophobicContact CG2-CB 3.81Å; T210-W244 HydrophobicContact CG2-CD2 4.04Å; T210-W244 HydrophobicContact CG2-CE3 3.74Å; T210-W244 HydrophobicContact CG2-CG 4.11Å; T210-I245 HydrophobicContact CG2-CG2 4.28Å; T210-R246 HydrophobicContact CG2-CB 3.97Å; T210-R246 HydrophobicContact CG2-CG 3.72Å; T210-D248 WeakPolarHBondContact CB-OD2 3.3Å; T210-D248 WeakPolarHBondContact CG2-OD2 3.3Å; T210-D248 PolarHBondContact OG1-OD2 3.11Å; T210-Q295 PolarHBondContact OG1-OE1 3.19Å; T210-Q295 VanDerWaalsContact OG1-OE1 3.07Å |
| 211 | I | 88.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -136.1 | 105.5 | -177.9 | -46.8 | 179.9 | 0 | 0 | 0 | 110.1 | E216 Q217 L220 I233 W244 Y252 M271 W281 | I211-E216 HydrophobicContact CG2-CB 4.25Å; I211-E216 HydrophobicContact CG2-CG 4.19Å; I211-Q217 HydrophobicContact CG2-CB 4.04Å; I211-L220 HydrophobicContact CD1-CD1 3.75Å; I211-L220 HydrophobicContact CG1-CD1 3.82Å; I211-I233 HydrophobicContact CD1-CD1 3.86Å; I211-I233 HydrophobicContact CD1-CG2 4.3Å; I211-W244 HydrophobicContact CB-CH2 3.67Å; I211-W244 HydrophobicContact CB-CZ2 3.82Å; I211-W244 HydrophobicContact CD1-CH2 4.41Å; I211-W244 HydrophobicContact CG1-CH2 3.81Å; I211-W244 HydrophobicContact CG1-CZ2 4.46Å; I211-W244 HydrophobicContact CG1-CZ3 4.43Å; I211-W244 VanDerWaalsContact N-CH2 3.26Å; I211-W244 VanDerWaalsContact N-CZ2 3.3Å; I211-W244 WeakPolarHBondContact O-CZ2 3.22Å; I211-Y252 HydrophobicContact CG2-CD1 4.16Å; I211-Y252 HydrophobicContact CG2-CE1 4.34Å; I211-M271 HydrophobicContact CD1-CE 3.37Å; I211-W281 HydrophobicContact CB-CH2 4.17Å; I211-W281 HydrophobicContact CB-CZ2 3.76Å; I211-W281 HydrophobicContact CD1-CZ2 3.86Å; I211-W281 HydrophobicContact CG1-CZ2 4.33Å; I211-W281 HydrophobicContact CG2-CH2 4.49Å; I211-W281 HydrophobicContact CG2-CZ2 3.87Å | ||
| 212 | T | 81.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 21.7 Ų | 21.7 | 22% | 0.221 | 13% | 0.128 | C | C | . | . | trans | -105.5 | -14.2 | -169.8 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | E216 D248 | T212-E216 PolarHBondContact N-OE2 2.81Å; T212-E216 PolarHBondContact OG1-OE2 3.29Å; T212-D248 HydrophobicContact CG2-CB 4.09Å | ||
| 213 | S | 77.4 | Confident | 84 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -145.2 | 157.2 | -176.5 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | M215 E216 Q217 | S213-M215 PolarHBondContact O-N 3.48Å; S213-E216 PolarHBondContact O-N 3.22Å; S213-E216 VanDerWaalsContact OG-CB 3.28Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.16Å; S213-Q217 PolarHBondContact O-N 2.89Å; S213-Q217 VanDerWaalsContact O-N 3.11Å |
| 214 | P | 76 | Confident | 84.5 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -26.8 | 172.2 | 24.4 | -31.7 | 0 | 0 | 0 | 112.8 | Q217 D218 Y252 | P214-Q217 WeakPolarHBondContact O-CB 3.43Å; P214-Q217 PolarHBondContact O-N 2.84Å; P214-D218 PolarHBondContact O-N 2.55Å; P214-Y252 HydrophobicContact CB-CD2 4.17Å; P214-Y252 HydrophobicContact CB-CE2 3.71Å; P214-Y252 HydrophobicContact CG-CD2 4.39Å; P214-Y252 HydrophobicContact CG-CE2 4.37Å |
| 215 | M | 75.1 | Confident | 84.5 | Confident | 20 Ų | 20 | 13.3 Ų | 13.3 | 10% | 0.099 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 176 | -59.1 | 85.2 | -168.8 | 0 | 0 | 112.1 | F175 S213 D218 A219 R436 D437 | F175-M215 HydrophobicContact CZ-CB 4.1Å; F175-M215 WeakPolarHBondContact CZ-O 3.34Å; S213-M215 PolarHBondContact O-N 3.48Å; M215-D218 PolarHBondContact O-N 2.55Å; M215-A219 WeakPolarHBondContact O-CB 3.37Å; M215-A219 PolarHBondContact O-N 2.99Å; M215-A219 VanDerWaalsContact O-N 3.09Å; M215-R436 HydrophobicContact CE-CG 4.11Å; M215-D437 WeakPolarHBondContact CE-OD1 3.33Å |
| 216 | E | 83.7 | Confident | 83.9 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 2% | 0.023 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 173.6 | -173.4 | 170.8 | -153.1 | 0 | 0 | 111 | F175 Y180 T210 I211 T212 S213 L220 Q295 | F175-E216 HydrophobicContact CE1-CB 4.18Å; Y180-E216 HydrophobicContact CE1-CG 4.5Å; Y180-E216 PolarHBondContact OH-OE1 2.71Å; T210-E216 VanDerWaalsContact O-OE1 3.13Å; I211-E216 HydrophobicContact CG2-CB 4.25Å; I211-E216 HydrophobicContact CG2-CG 4.19Å; T212-E216 PolarHBondContact N-OE2 2.81Å; T212-E216 PolarHBondContact OG1-OE2 3.29Å; S213-E216 PolarHBondContact O-N 3.22Å; S213-E216 VanDerWaalsContact OG-CB 3.28Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.16Å; E216-L220 VanDerWaalsContact O-CG 3.3Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 3.09Å; E216-L220 VanDerWaalsContact O-N 3.11Å; E216-Q295 PolarHBondContact OE1-NE2 2.88Å; E216-Q295 VanDerWaalsContact OE1-NE2 3.08Å |
| 217 | Q | 86.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 171.3 | -179.1 | 54.2 | 65.3 | 0 | 0 | 112.2 | I211 S213 P214 A219 L220 S221 Y252 N254 M271 G279 | I211-Q217 HydrophobicContact CG2-CB 4.04Å; S213-Q217 PolarHBondContact O-N 2.89Å; S213-Q217 VanDerWaalsContact O-N 3.11Å; P214-Q217 WeakPolarHBondContact O-CB 3.43Å; P214-Q217 PolarHBondContact O-N 2.84Å; Q217-A219 PolarHBondContact O-N 3.47Å; Q217-L220 PolarHBondContact O-N 3.36Å; Q217-S221 PolarHBondContact NE2-OG 3.32Å; Q217-S221 WeakPolarHBondContact O-CB 3.4Å; Q217-S221 PolarHBondContact O-N 2.72Å; Q217-S221 PolarHBondContact O-OG 3.43Å; Q217-S221 VanDerWaalsContact O-OG 3.08Å; Q217-Y252 HydrophobicContact CB-CE1 3.73Å; Q217-Y252 HydrophobicContact CG-CE1 4.13Å; Q217-N254 HydrophobicContact CG-CB 4.49Å; Q217-M271 PolarHBondContact NE2-SD 3.07Å; Q217-G279 VanDerWaalsContact NE2-CA 3.28Å; Q217-G279 PolarHBondContact NE2-O 3.23Å; Q217-G279 PolarHBondContact OE1-O 3.03Å |
| 218 | D | 83.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | -179.7 | -72.2 | -20 | 0 | 0 | 0 | 112.7 | P214 M215 L220 S221 V222 A361 R364 | P214-D218 PolarHBondContact O-N 2.55Å; M215-D218 PolarHBondContact O-N 2.55Å; D218-L220 PolarHBondContact O-N 3.32Å; D218-S221 PolarHBondContact O-N 3.45Å; D218-V222 WeakPolarHBondContact O-CB 3.44Å; D218-V222 VanDerWaalsContact O-CG2 3.28Å; D218-V222 WeakPolarHBondContact O-CG2 3.43Å; D218-V222 PolarHBondContact O-N 2.94Å; D218-A361 HydrophobicContact CB-CB 4.23Å; D218-R364 VanDerWaalsContact CG-CZ 3.41Å; D218-R364 IonicContact OD1-CZ 2.7Å; D218-R364 IonicContact OD1-NH1 2.74Å; D218-R364 PolarHBondContact OD1-NH1 3.14Å; D218-R364 IonicContact OD1-NH2 2.68Å; D218-R364 PolarHBondContact OD1-NH2 3.21Å; D218-R364 VanDerWaalsContact OD2-CB 3.29Å; D218-R364 WeakPolarHBondContact OD2-CB 3.47Å; D218-R364 IonicContact OD2-CZ 3.99Å; D218-R364 IonicContact OD2-NE 3.81Å; D218-R364 IonicContact OD2-NH1 2.99Å; D218-R364 PolarHBondContact OD2-NH1 3.25Å; D218-R364 IonicContact OD2-NH2 2.77Å |
| 219 | A | 84.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.3 | -40.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F175 M215 Q217 L223 I316 L365 | F175-A219 HydrophobicContact CD1-CB 3.77Å; F175-A219 HydrophobicContact CD2-CB 3.7Å; F175-A219 HydrophobicContact CE1-CB 3.9Å; F175-A219 HydrophobicContact CE2-CB 3.83Å; F175-A219 HydrophobicContact CG-CB 3.68Å; F175-A219 HydrophobicContact CZ-CB 3.93Å; M215-A219 WeakPolarHBondContact O-CB 3.37Å; M215-A219 PolarHBondContact O-N 2.99Å; M215-A219 VanDerWaalsContact O-N 3.09Å; Q217-A219 PolarHBondContact O-N 3.47Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.95Å; A219-I316 HydrophobicContact CB-CD1 3.8Å; A219-L365 HydrophobicContact CB-CD1 4.21Å |
| 220 | L | 88.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -78.5 | -37 | 177.1 | -63.7 | -178.4 | 0 | 0 | 0 | 113.2 | Y180 A209 I211 E216 Q217 D218 V222 L223 I224 M271 I293 | Y180-L220 HydrophobicContact CD1-CD1 4.47Å; Y180-L220 HydrophobicContact CD1-CD2 3.63Å; Y180-L220 HydrophobicContact CE1-CD1 4.39Å; Y180-L220 HydrophobicContact CE1-CD2 4.2Å; Y180-L220 HydrophobicContact CG-CD2 3.91Å; A209-L220 HydrophobicContact CB-CD1 4.44Å; I211-L220 HydrophobicContact CD1-CD1 3.75Å; I211-L220 HydrophobicContact CG1-CD1 3.82Å; E216-L220 VanDerWaalsContact O-CG 3.3Å; E216-L220 WeakPolarHBondContact O-CG 3.43Å; E216-L220 PolarHBondContact O-N 3.09Å; E216-L220 VanDerWaalsContact O-N 3.11Å; Q217-L220 PolarHBondContact O-N 3.36Å; D218-L220 PolarHBondContact O-N 3.32Å; L220-V222 PolarHBondContact O-N 3.34Å; L220-L223 HydrophobicContact CD2-CD2 4.13Å; L220-L223 WeakPolarHBondContact O-CA 3.11Å; L220-L223 WeakPolarHBondContact O-CB 3.31Å; L220-L223 PolarHBondContact O-N 3.01Å; L220-L223 VanDerWaalsContact O-N 3.1Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.47Å; L220-M271 HydrophobicContact CB-CE 3.92Å; L220-M271 HydrophobicContact CB-SD 4.37Å; L220-M271 HydrophobicContact CD1-CE 4.09Å; L220-I293 HydrophobicContact CB-CD1 4.28Å; L220-I293 HydrophobicContact CD1-CD1 4.42Å; L220-I293 HydrophobicContact CD2-CD1 3.9Å; L220-I293 HydrophobicContact CD2-CG2 4.15Å; L220-I293 HydrophobicContact CG-CD1 4.42Å |
| 221 | S | 86.3 | Confident | 80.4 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 172.1 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | Q217 D218 L223 I224 A225 G279 | Q217-S221 PolarHBondContact NE2-OG 3.32Å; Q217-S221 WeakPolarHBondContact O-CB 3.4Å; Q217-S221 PolarHBondContact O-N 2.72Å; Q217-S221 PolarHBondContact O-OG 3.43Å; Q217-S221 VanDerWaalsContact O-OG 3.08Å; D218-S221 PolarHBondContact O-N 3.45Å; S221-L223 PolarHBondContact O-N 3.09Å; S221-I224 PolarHBondContact O-N 2.86Å; S221-A225 WeakPolarHBondContact O-CB 3.38Å; S221-A225 PolarHBondContact O-N 3.41Å; S221-G279 WeakPolarHBondContact OG-CA 3.34Å |
| 222 | V | 84.4 | Confident | 80.6 | Confident | 13 Ų | 13 | 23.5 Ų | 23.5 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | D218 L220 I316 Y329 A361 F362 | D218-V222 WeakPolarHBondContact O-CB 3.44Å; D218-V222 VanDerWaalsContact O-CG2 3.28Å; D218-V222 WeakPolarHBondContact O-CG2 3.43Å; D218-V222 PolarHBondContact O-N 2.94Å; L220-V222 PolarHBondContact O-N 3.34Å; V222-I316 HydrophobicContact CG1-CG2 3.93Å; V222-Y329 HydrophobicContact CG1-CD2 4.41Å; V222-Y329 HydrophobicContact CG1-CE2 3.64Å; V222-Y329 PolarHBondContact O-OH 3.1Å; V222-A361 HydrophobicContact CG2-CB 3.73Å; V222-F362 HydrophobicContact CG1-CD2 4.25Å; V222-F362 HydrophobicContact CG2-CB 3.97Å; V222-F362 VanDerWaalsContact CG2-N 3.35Å |
| 223 | L | 84.7 | Confident | 81.2 | Confident | 18 Ų | 18 | 21.8 Ų | 21.8 | 9% | 0.094 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.9 | -41.2 | 177.8 | -175.9 | 56.6 | 0 | 0 | 0 | 112.5 | K173 L182 A219 L220 S221 | K173-L223 HydrophobicContact CD-CD1 3.79Å; K173-L223 VanDerWaalsContact NZ-CD1 3.25Å; L182-L223 HydrophobicContact CB-CD1 4.39Å; L182-L223 HydrophobicContact CB-CD2 4.07Å; L182-L223 HydrophobicContact CB-CG 4Å; L182-L223 HydrophobicContact CD2-CD1 4.43Å; L182-L223 HydrophobicContact CD2-CG 4.03Å; L182-L223 VanDerWaalsContact CD2-O 3.27Å; L182-L223 WeakPolarHBondContact CD2-O 3.32Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.95Å; L220-L223 HydrophobicContact CD2-CD2 4.13Å; L220-L223 WeakPolarHBondContact O-CA 3.11Å; L220-L223 WeakPolarHBondContact O-CB 3.31Å; L220-L223 PolarHBondContact O-N 3.01Å; L220-L223 VanDerWaalsContact O-N 3.1Å; S221-L223 PolarHBondContact O-N 3.09Å |
| 224 | I | 86.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -90.8 | -5.8 | -178.3 | 70.5 | 169.4 | 0 | 0 | 0 | 114.6 | L182 L220 S221 R226 S227 V231 M271 H272 Q273 L278 I293 | L182-I224 HydrophobicContact CD1-CG2 4.1Å; L182-I224 HydrophobicContact CD2-CB 4.47Å; L182-I224 HydrophobicContact CD2-CG2 3.95Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.47Å; S221-I224 PolarHBondContact O-N 2.86Å; I224-R226 PolarHBondContact O-N 2.76Å; I224-S227 VanDerWaalsContact O-CB 3.25Å; I224-S227 WeakPolarHBondContact O-CB 3.26Å; I224-S227 PolarHBondContact O-N 2.86Å; I224-V231 HydrophobicContact CD1-CG2 4.19Å; I224-V231 HydrophobicContact CG2-CG1 3.91Å; I224-V231 HydrophobicContact CG2-CG2 3.96Å; I224-M271 HydrophobicContact CD1-CB 4.36Å; I224-M271 HydrophobicContact CD1-CG 3.83Å; I224-M271 HydrophobicContact CD1-SD 3.44Å; I224-M271 WeakPolarHBondContact CD1-SD 3.39Å; I224-M271 HydrophobicContact CG1-SD 4.32Å; I224-H272 VanDerWaalsContact CD1-O 3.25Å; I224-H272 WeakPolarHBondContact CD1-O 3.33Å; I224-Q273 HydrophobicContact CD1-CB 4.19Å; I224-Q273 HydrophobicContact CG1-CB 4.42Å; I224-L278 HydrophobicContact CD1-CD1 4.34Å; I224-L278 HydrophobicContact CG1-CD1 3.92Å; I224-I293 HydrophobicContact CG2-CD1 3.66Å; I224-I293 HydrophobicContact CG2-CG1 4.35Å |
| 225 | A | 75.5 | Confident | 82.5 | Confident | 25 Ų | 25 | 21.1 Ų | 21.1 | 21% | 0.207 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | S221 L278 D358 | S221-A225 WeakPolarHBondContact O-CB 3.38Å; S221-A225 PolarHBondContact O-N 3.41Å; A225-L278 HydrophobicContact CB-CD1 4.44Å; A225-L278 HydrophobicContact CB-CD2 4.3Å; A225-D358 HydrophobicContact CB-CB 3.33Å |
| 226 | R | 69.8 | Low | 82.9 | Confident | 178 Ų | 178 | 22.4 Ų | 22.4 | 67% | 0.672 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.4 | 176.4 | -60 | -175.8 | -174.8 | 168.4 | 0.7 | 113.8 | I224 N330 | I224-R226 PolarHBondContact O-N 2.76Å; R226-N330 PolarHBondContact NH2-OD1 3.09Å |
| 227 | S | 69 | Low | 82.7 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | trans | -67.3 | 137.8 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | E184 I224 H229 Q273 N291 | E184-S227 WeakPolarHBondContact OE1-CA 3.42Å; E184-S227 WeakPolarHBondContact OE1-CB 3.31Å; I224-S227 VanDerWaalsContact O-CB 3.25Å; I224-S227 WeakPolarHBondContact O-CB 3.26Å; I224-S227 PolarHBondContact O-N 2.86Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 PolarHBondContact OG-N 2.96Å; S227-H229 PolarHBondContact OG-O 3.43Å; S227-Q273 WeakPolarHBondContact O-CG 3.4Å; S227-N291 PolarHBondContact OG-ND2 3.17Å; S227-N291 VanDerWaalsContact OG-ND2 3.11Å | ||
| 228 | S | 66.5 | Low | 81.9 | Confident | 81 Ų | 81 | 26.6 Ų | 26.6 | 57% | 0.566 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -71.8 | -24.6 | 172.7 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | Q273 | S228-Q273 PolarHBondContact O-NE2 3.2Š|
| 229 | H | 72.5 | Confident | 80.9 | Confident | 61 Ų | 61 | 34.6 Ų | 34.6 | 28% | 0.282 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -133.9 | 153.8 | -169.7 | -69.6 | 75.7 | 0 | 0 | 0 | 112.5 | R189 S227 | R189-H229 PolarHBondContact NH1-CD2 3.01Å; R189-H229 PolarHBondContact NH1-NE2 3.27Å; R189-H229 PolarHBondContact NH2-CE1 2.63Å; R189-H229 PolarHBondContact NH2-ND1 2.9Å; R189-H229 PolarHBondContact NH2-NE2 2.89Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 PolarHBondContact OG-N 2.96Å; S227-H229 PolarHBondContact OG-O 3.43Å |
| 230 | P | 81.3 | Confident | 79.9 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | trans | -64.9 | 158.9 | 175.5 | 28.3 | -34.2 | 0 | 0 | 0 | 110.7 | M270 M271 L290 N291 | P230-M270 HydrophobicContact CB-SD 3.88Å; P230-M270 HydrophobicContact CG-SD 3.89Å; P230-M271 WeakPolarHBondContact CA-O 3.36Å; P230-M271 WeakPolarHBondContact CB-O 3.35Å; P230-L290 HydrophobicContact CG-CD2 4.16Å; P230-N291 PolarHBondContact O-N 2.96Å | ||
| 231 | V | 88.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.1 | -168.8 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | L182 I224 M270 M271 N291 I293 | L182-V231 HydrophobicContact CD1-CG1 3.63Å; I224-V231 HydrophobicContact CD1-CG2 4.19Å; I224-V231 HydrophobicContact CG2-CG1 3.91Å; I224-V231 HydrophobicContact CG2-CG2 3.96Å; V231-M270 CarbonylContact O-C 3.59Å; V231-M270 WeakPolarHBondContact O-CA 3.01Å; V231-M270 WeakPolarHBondContact O-CB 3.49Å; V231-M271 HydrophobicContact CG2-CB 3.79Å; V231-M271 PolarHBondContact N-O 3.24Å; V231-M271 PolarHBondContact O-N 2.95Å; V231-N291 CarbonylContact C-O 3.51Å; V231-N291 VanDerWaalsContact CA-O 3.26Å; V231-N291 WeakPolarHBondContact CA-O 3.24Å; V231-N291 HydrophobicContact CG1-CB 3.86Å; V231-I293 HydrophobicContact CB-CG1 4.19Å; V231-I293 HydrophobicContact CG2-CD1 3.99Å; V231-I293 HydrophobicContact CG2-CG1 3.93Å |
| 232 | W | 92.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.6 | 166.8 | -71.2 | 128.4 | 0 | 0 | 0 | 112.2 | L190 W192 L208 C268 M270 V284 D285 S288 L290 N291 I293 | L190-W232 VanDerWaalsContact O-CD1 3.26Å; L190-W232 PolarHBondContact O-NE1 3.26Å; W192-W232 HydrophobicContact CB-CD2 4.01Å; W192-W232 HydrophobicContact CB-CE3 4.39Å; W192-W232 HydrophobicContact CB-CG 4.4Å; W192-W232 HydrophobicContact CB-CH2 4.34Å; W192-W232 HydrophobicContact CB-CZ2 3.97Å; W192-W232 AromaticContact CD1-CD2 3.69Å; W192-W232 AromaticContact CD1-CE3 3.57Å; W192-W232 AromaticContact CD1-CG 3.96Å; W192-W232 HydrophobicContact CG-CD2 4.28Å; W192-W232 HydrophobicContact CG-CE3 4.39Å; L208-W232 HydrophobicContact CD1-CB 4.28Å; L208-W232 HydrophobicContact CD2-CB 4.18Å; W232-C268 HydrophobicContact CE3-CB 4.26Å; W232-C268 HydrophobicContact CH2-CB 3.87Å; W232-C268 HydrophobicContact CZ3-CB 3.59Å; W232-M270 HydrophobicContact CE3-CB 3.93Å; W232-M270 HydrophobicContact CZ3-CB 4.15Å; W232-V284 HydrophobicContact CH2-CG2 3.65Å; W232-V284 HydrophobicContact CZ3-CG2 3.59Å; W232-D285 WeakPolarHBondContact CH2-O 3.18Å; W232-S288 WeakPolarHBondContact CZ2-O 3.3Å; W232-S288 PolarHBondContact NE1-O 3.07Å; W232-S288 VanDerWaalsContact NE1-O 3.08Å; W232-L290 HydrophobicContact CD2-CB 4.44Å; W232-L290 HydrophobicContact CD2-CD1 3.87Å; W232-L290 HydrophobicContact CD2-CG 4.44Å; W232-L290 HydrophobicContact CE3-CD1 4.09Å; W232-L290 HydrophobicContact CG-CB 4.27Å; W232-L290 HydrophobicContact CG-CD1 4.43Å; W232-L290 HydrophobicContact CH2-CD1 4.39Å; W232-L290 HydrophobicContact CZ2-CD1 4.16Å; W232-L290 HydrophobicContact CZ2-CG 4.41Å; W232-L290 HydrophobicContact CZ3-CD1 4.33Å; W232-N291 PolarHBondContact N-O 3.39Å; W232-I293 PolarHBondContact O-N 2.76Å |
| 233 | I | 93.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161 | 167.9 | 59.4 | 172.6 | 0 | 0 | 0 | 110.6 | W192 I211 M235 W244 T269 M271 W281 | W192-I233 PolarHBondContact NE1-O 3.07Å; I211-I233 HydrophobicContact CD1-CD1 3.86Å; I211-I233 HydrophobicContact CD1-CG2 4.3Å; I233-M235 PolarHBondContact O-N 2.99Å; I233-W244 HydrophobicContact CD1-CH2 4.1Å; I233-W244 HydrophobicContact CD1-CZ3 4.33Å; I233-T269 HydrophobicContact CD1-CG2 3.84Å; I233-T269 HydrophobicContact CG1-CG2 3.95Å; I233-T269 VanDerWaalsContact CG1-O 3.29Å; I233-T269 WeakPolarHBondContact CG1-O 2.95Å; I233-T269 PolarHBondContact N-O 3.33Å; I233-T269 VanDerWaalsContact N-O 3.11Å; I233-M271 HydrophobicContact CG2-CB 4.19Å; I233-M271 HydrophobicContact CG2-CE 3.61Å; I233-W281 HydrophobicContact CD1-CD2 4.04Å; I233-W281 HydrophobicContact CD1-CG 4.04Å |
| 234 | G | 90.2 | Very high | 78 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 20.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A209 W244 I245 | A209-G234 PolarHBondContact O-N 3.24Å; G234-W244 VanDerWaalsContact C-CE3 3.5Å; G234-W244 CarbonylContact O-C 3.36Å; G234-W244 WeakPolarHBondContact O-CA 3.28Å; G234-I245 WeakPolarHBondContact O-CB 3.28Å; G234-I245 PolarHBondContact O-N 2.77Å |
| 235 | M | 89.5 | Confident | 78 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136 | 174.6 | -179.1 | 80.6 | 83.3 | 0 | 0 | 109.8 | I233 R242 K243 W244 I250 W255 T269 W281 | I233-M235 PolarHBondContact O-N 2.99Å; M235-R242 HydrophobicContact SD-CB 4Å; M235-K243 VanDerWaalsContact SD-C 3.58Å; M235-W244 HydrophobicContact CB-CD2 4.32Å; M235-W244 HydrophobicContact CB-CE3 3.68Å; M235-W244 HydrophobicContact CB-CH2 3.96Å; M235-W244 HydrophobicContact CB-CZ3 3.5Å; M235-W244 HydrophobicContact CE-CD2 3.85Å; M235-W244 HydrophobicContact CE-CE3 4.35Å; M235-W244 HydrophobicContact CE-CG 4.38Å; M235-W244 HydrophobicContact CE-CH2 4.04Å; M235-W244 HydrophobicContact CE-CZ2 3.48Å; M235-W244 VanDerWaalsContact CE-CZ2 3.48Å; M235-W244 HydrophobicContact CE-CZ3 4.46Å; M235-W244 HydrophobicContact SD-CD2 4.18Å; M235-W244 HydrophobicContact SD-CE3 4.47Å; M235-W244 HydrophobicContact SD-CG 4.47Å; M235-I250 HydrophobicContact CE-CD1 3.62Å; M235-I250 HydrophobicContact CE-CG1 3.95Å; M235-I250 HydrophobicContact CE-CG2 4.21Å; M235-I250 HydrophobicContact SD-CD1 3.7Å; M235-I250 HydrophobicContact SD-CG1 4.42Å; M235-W255 HydrophobicContact CE-CH2 4.48Å; M235-W255 HydrophobicContact CE-CZ2 4.3Å; M235-W255 HydrophobicContact CG-CH2 4Å; M235-T269 HydrophobicContact CB-CG2 4.43Å; M235-T269 WeakPolarHBondContact CB-OG1 3.09Å; M235-T269 VanDerWaalsContact CG-OG1 3.28Å; M235-T269 WeakPolarHBondContact CG-OG1 3.27Å; M235-T269 WeakPolarHBondContact O-CB 2.94Å; M235-T269 PolarHBondContact O-N 3.04Å; M235-T269 PolarHBondContact O-OG1 2.74Å; M235-W281 HydrophobicContact CE-CZ3 4.15Å |
| 236 | Y | 85.2 | Confident | 78.2 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 158.9 | 175.7 | 66.2 | -74 | 0 | 0 | 0 | 111.1 | W192 D238 R242 K243 I245 | W192-Y236 AromaticContact CH2-CD1 3.56Å; W192-Y236 HydrophobicContact CH2-CD1 3.56Å; W192-Y236 HydrophobicContact CH2-CE1 4.23Å; W192-Y236 AromaticContact CH2-CG 3.91Å; W192-Y236 HydrophobicContact CH2-CG 3.91Å; W192-Y236 AromaticContact CZ2-CD1 3.75Å; W192-Y236 HydrophobicContact CZ2-CD1 3.75Å; W192-Y236 HydrophobicContact CZ2-CG 4.12Å; Y236-D238 HydrophobicContact CD2-CB 4.19Å; Y236-D238 HydrophobicContact CE2-CB 3.82Å; Y236-R242 WeakPolarHBondContact O-CA 3.29Å; Y236-K243 VanDerWaalsContact CD1-O 3.24Å; Y236-K243 WeakPolarHBondContact CD1-O 2.81Å; Y236-K243 HydrophobicContact CE1-CB 4.14Å; Y236-K243 WeakPolarHBondContact CE1-O 3.34Å; Y236-K243 PolarHBondContact N-O 3.27Å; Y236-K243 VanDerWaalsContact N-O 3.09Å; Y236-K243 PolarHBondContact O-N 2.02Å; Y236-I245 HydrophobicContact CE1-CB 4.35Å |
| 237 | L | 78.6 | Confident | 78.6 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.1 | 176.3 | -171.8 | 67.1 | 0 | 0 | 0 | 109.9 | R242 L267 | L237-R242 HydrophobicContact CD1-CG 3.6Å; L237-L267 HydrophobicContact CB-CB 4.25Å; L237-L267 HydrophobicContact CD2-CB 4.4Å; L237-L267 HydrophobicContact CD2-CD1 4.25Å; L237-L267 PolarHBondContact N-O 3.32Å |
| 238 | D | 68.9 | Low | 78.9 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111.7 | -179.3 | 175.3 | 40.1 | 0 | 0 | 0 | 110.6 | Y236 S240 E241 K243 | Y236-D238 HydrophobicContact CD2-CB 4.19Å; Y236-D238 HydrophobicContact CE2-CB 3.82Å; D238-S240 VanDerWaalsContact C-N 3.25Å; D238-S240 PolarHBondContact O-N 3.18Å; D238-E241 PolarHBondContact N-O 2.67Å; D238-E241 PolarHBondContact O-N 3.26Å; D238-E241 VanDerWaalsContact O-O 3.08Å; D238-K243 HydrophobicContact CB-CD 4.1Å; D238-K243 IonicContact OD2-NZ 2.86Å; D238-K243 PolarHBondContact OD2-NZ 2.81Å |
| 239 | Q | 63.7 | Low | 79.1 | Confident | 171 Ų | 171 | 46.6 Ų | 46.6 | 80% | 0.799 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 41.8 | 180 | -57.8 | -176 | 18.7 | 0 | 0 | 114 | E241 | Q239-E241 VanDerWaalsContact C-N 3.32Š|
| 240 | S | 61.9 | Low | 79.2 | Confident | 84 Ų | 84 | 46 Ų | 46 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 4.7 | -175.5 | -25.8 | 0 | 0 | 0 | 0 | 116.1 | I110 D238 | I110-S240 WeakPolarHBondContact CD1-O 3.26Å; I110-S240 WeakPolarHBondContact CG1-O 3.49Å; D238-S240 VanDerWaalsContact C-N 3.25Å; D238-S240 PolarHBondContact O-N 3.18Å |
| 241 | E | 61.2 | Low | 78.7 | Confident | 65 Ų | 65 | 48 Ų | 48 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.6 | 173.6 | -71 | 175.5 | -168.7 | 0 | 0 | 110.2 | K67 I110 D238 Q239 | K67-E241 WeakPolarHBondContact CD-OE1 3.26Å; K67-E241 IonicContact NZ-OE1 3.76Å; K67-E241 PolarHBondContact NZ-OE1 2.58Å; I110-E241 HydrophobicContact CD1-CG 4.29Å; D238-E241 PolarHBondContact N-O 2.67Å; D238-E241 PolarHBondContact O-N 3.26Å; D238-E241 VanDerWaalsContact O-O 3.08Å; Q239-E241 VanDerWaalsContact C-N 3.32Å |
| 242 | R | 77.7 | Confident | 78.1 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.1 | 177 | -65.3 | 180 | 179 | 140.7 | 2.4 | 110 | Q109 M235 Y236 L237 I250 W255 E283 | Q109-R242 VanDerWaalsContact OE1-CZ 3.27Å; M235-R242 HydrophobicContact SD-CB 4Å; Y236-R242 WeakPolarHBondContact O-CA 3.29Å; L237-R242 HydrophobicContact CD1-CG 3.6Å; R242-I250 HydrophobicContact CB-CD1 3.92Å; R242-I250 WeakPolarHBondContact O-CD1 3.24Å; R242-W255 VanDerWaalsContact CD-CZ2 3.43Å; R242-E283 WeakPolarHBondContact CD-OE1 3.46Å; R242-E283 IonicContact CZ-OE1 3Å; R242-E283 IonicContact CZ-OE2 2.73Å; R242-E283 VanDerWaalsContact NE-CD 3.25Å; R242-E283 IonicContact NE-OE1 3.56Å; R242-E283 PolarHBondContact NE-OE1 2.64Å; R242-E283 IonicContact NE-OE2 2.65Å; R242-E283 PolarHBondContact NE-OE2 2.65Å; R242-E283 IonicContact NH2-OE1 2.71Å; R242-E283 IonicContact NH2-OE2 2.62Å; R242-E283 PolarHBondContact NH2-OE2 3.04Å |
| 243 | K | 78.9 | Confident | 77.3 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 30% | 0.3 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.6 | -174.6 | -61.4 | 176.5 | -167.1 | 171.1 | 0 | 111.3 | M235 Y236 D238 | M235-K243 VanDerWaalsContact SD-C 3.58Å; Y236-K243 VanDerWaalsContact CD1-O 3.24Å; Y236-K243 WeakPolarHBondContact CD1-O 2.81Å; Y236-K243 HydrophobicContact CE1-CB 4.14Å; Y236-K243 WeakPolarHBondContact CE1-O 3.34Å; Y236-K243 PolarHBondContact N-O 3.27Å; Y236-K243 VanDerWaalsContact N-O 3.09Å; Y236-K243 PolarHBondContact O-N 2.02Å; D238-K243 HydrophobicContact CB-CD 4.1Å; D238-K243 IonicContact OD2-NZ 2.86Å; D238-K243 PolarHBondContact OD2-NZ 2.81Å |
| 244 | W | 86.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.6 | 166.4 | -74.4 | 122.6 | 0 | 0 | 0 | 110.4 | T210 I211 I233 G234 M235 R246 G247 D248 W281 | T210-W244 VanDerWaalsContact CA-CE3 3.49Å; T210-W244 HydrophobicContact CG2-CB 3.81Å; T210-W244 HydrophobicContact CG2-CD2 4.04Å; T210-W244 HydrophobicContact CG2-CE3 3.74Å; T210-W244 HydrophobicContact CG2-CG 4.11Å; I211-W244 HydrophobicContact CB-CH2 3.67Å; I211-W244 HydrophobicContact CB-CZ2 3.82Å; I211-W244 HydrophobicContact CD1-CH2 4.41Å; I211-W244 HydrophobicContact CG1-CH2 3.81Å; I211-W244 HydrophobicContact CG1-CZ2 4.46Å; I211-W244 HydrophobicContact CG1-CZ3 4.43Å; I211-W244 VanDerWaalsContact N-CH2 3.26Å; I211-W244 VanDerWaalsContact N-CZ2 3.3Å; I211-W244 WeakPolarHBondContact O-CZ2 3.22Å; I233-W244 HydrophobicContact CD1-CH2 4.1Å; I233-W244 HydrophobicContact CD1-CZ3 4.33Å; G234-W244 VanDerWaalsContact C-CE3 3.5Å; G234-W244 CarbonylContact O-C 3.36Å; G234-W244 WeakPolarHBondContact O-CA 3.28Å; M235-W244 HydrophobicContact CB-CD2 4.32Å; M235-W244 HydrophobicContact CB-CE3 3.68Å; M235-W244 HydrophobicContact CB-CH2 3.96Å; M235-W244 HydrophobicContact CB-CZ3 3.5Å; M235-W244 HydrophobicContact CE-CD2 3.85Å; M235-W244 HydrophobicContact CE-CE3 4.35Å; M235-W244 HydrophobicContact CE-CG 4.38Å; M235-W244 HydrophobicContact CE-CH2 4.04Å; M235-W244 HydrophobicContact CE-CZ2 3.48Å; M235-W244 VanDerWaalsContact CE-CZ2 3.48Å; M235-W244 HydrophobicContact CE-CZ3 4.46Å; M235-W244 HydrophobicContact SD-CD2 4.18Å; M235-W244 HydrophobicContact SD-CE3 4.47Å; M235-W244 HydrophobicContact SD-CG 4.47Å; W244-R246 VanDerWaalsContact C-N 3.25Å; W244-R246 PolarHBondContact O-N 3.21Å; W244-G247 PolarHBondContact O-N 3.27Å; W244-D248 HydrophobicContact CB-CB 4.01Å; W244-D248 HydrophobicContact CG-CB 4.19Å; W244-W281 AromaticContact CH2-CH2 3.97Å; W244-W281 HydrophobicContact CH2-CH2 3.97Å; W244-W281 HydrophobicContact CH2-CZ2 4.33Å; W244-W281 HydrophobicContact CH2-CZ3 4.22Å; W244-W281 AromaticContact CZ2-CH2 3.66Å; W244-W281 HydrophobicContact CZ2-CH2 3.66Å; W244-W281 HydrophobicContact CZ2-CZ2 4.38Å; W244-W281 AromaticContact CZ2-CZ3 3.96Å; W244-W281 HydrophobicContact CZ2-CZ3 3.96Å |
| 245 | I | 86.8 | Confident | 75.8 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.5 | -175.3 | -161.1 | 179.2 | 0 | 0 | 0 | 114.1 | W192 D196 T210 G234 Y236 G247 | W192-I245 HydrophobicContact CH2-CB 4.25Å; W192-I245 HydrophobicContact CH2-CD1 3.55Å; W192-I245 HydrophobicContact CH2-CG1 3.97Å; W192-I245 HydrophobicContact CZ2-CB 4.44Å; W192-I245 HydrophobicContact CZ2-CD1 4.18Å; W192-I245 HydrophobicContact CZ3-CD1 4.11Å; D196-I245 HydrophobicContact CB-CD1 4.09Å; D196-I245 WeakPolarHBondContact OD1-CD1 3.48Å; D196-I245 VanDerWaalsContact OD2-CD1 3.25Å; D196-I245 WeakPolarHBondContact OD2-CD1 3.24Å; T210-I245 HydrophobicContact CG2-CG2 4.28Å; G234-I245 WeakPolarHBondContact O-CB 3.28Å; G234-I245 PolarHBondContact O-N 2.77Å; Y236-I245 HydrophobicContact CE1-CB 4.35Å; I245-G247 VanDerWaalsContact C-N 3.31Å |
| 246 | R | 80.2 | Confident | 74.7 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6 | 175.2 | -58.9 | 176.7 | 72.1 | -173.3 | 1.4 | 113.5 | N178 S207 T210 W244 D248 Q295 | N178-R246 PolarHBondContact OD1-NH1 3.46Å; S207-R246 VanDerWaalsContact OG-CG 3.32Å; S207-R246 WeakPolarHBondContact OG-CG 3.38Å; T210-R246 HydrophobicContact CG2-CB 3.97Å; T210-R246 HydrophobicContact CG2-CG 3.72Å; W244-R246 VanDerWaalsContact C-N 3.25Å; W244-R246 PolarHBondContact O-N 3.21Å; R246-D248 WeakPolarHBondContact CB-OD2 3.05Å; R246-Q295 VanDerWaalsContact CD-OE1 3.23Å |
| 247 | G | 76.3 | Confident | 73.1 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | trans | 84.9 | 9.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W244 I245 | W244-G247 PolarHBondContact O-N 3.27Å; I245-G247 VanDerWaalsContact C-N 3.31Å | ||
| 248 | D | 77.1 | Confident | 71.8 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | trans | -62.6 | 149.7 | 179.6 | -60.8 | -46.1 | 0 | 0 | 0 | 112.6 | T210 T212 W244 R246 | T210-D248 WeakPolarHBondContact CB-OD2 3.3Å; T210-D248 WeakPolarHBondContact CG2-OD2 3.3Å; T210-D248 PolarHBondContact OG1-OD2 3.11Å; T212-D248 HydrophobicContact CG2-CB 4.09Å; W244-D248 HydrophobicContact CB-CB 4.01Å; W244-D248 HydrophobicContact CG-CB 4.19Å; R246-D248 WeakPolarHBondContact CB-OD2 3.05Å | ||
| 249 | A | 69.7 | Low | 70.9 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 51% | 0.512 | 28% | 0.28 | S | S | . | . | trans | -75.5 | 137.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N251 | A249-N251 VanDerWaalsContact C-N 3.31Å; A249-N251 PolarHBondContact O-N 2.86Å | ||
| 250 | I | 74.6 | Confident | 69.8 | Low | 50 Ų | 50 | 47.2 Ų | 47.2 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | trans | -78.7 | 80.9 | 177.3 | -52.6 | -178.3 | 0 | 0 | 0 | 109.7 | M235 R242 T253 | M235-I250 HydrophobicContact CE-CD1 3.62Å; M235-I250 HydrophobicContact CE-CG1 3.95Å; M235-I250 HydrophobicContact CE-CG2 4.21Å; M235-I250 HydrophobicContact SD-CD1 3.7Å; M235-I250 HydrophobicContact SD-CG1 4.42Å; R242-I250 HydrophobicContact CB-CD1 3.92Å; R242-I250 WeakPolarHBondContact O-CD1 3.24Å; I250-T253 HydrophobicContact CG2-CG2 3.6Å | ||
| 251 | N | 70.1 | Confident | 69.1 | Low | 63 Ų | 63 | 48.1 Ų | 48.1 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -84 | -29.9 | 175.9 | -66 | -25.8 | 0 | 0 | 0 | 112.6 | I154 Y156 A249 | I154-N251 HydrophobicContact CD1-CB 4.13Å; Y156-N251 PolarHBondContact OH-O 3.28Å; A249-N251 VanDerWaalsContact C-N 3.31Å; A249-N251 PolarHBondContact O-N 2.86Å | ||
| 252 | Y | 76.2 | Confident | 68.1 | Low | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | trans | -129.9 | 148.2 | -174.9 | 173.3 | -101.1 | 0 | 0 | 0 | 110.8 | I211 P214 Q217 N254 W281 | I211-Y252 HydrophobicContact CG2-CD1 4.16Å; I211-Y252 HydrophobicContact CG2-CE1 4.34Å; P214-Y252 HydrophobicContact CB-CD2 4.17Å; P214-Y252 HydrophobicContact CB-CE2 3.71Å; P214-Y252 HydrophobicContact CG-CD2 4.39Å; P214-Y252 HydrophobicContact CG-CE2 4.37Å; Q217-Y252 HydrophobicContact CB-CE1 3.73Å; Q217-Y252 HydrophobicContact CG-CE1 4.13Å; Y252-N254 HydrophobicContact CE1-CB 3.98Å; Y252-N254 WeakPolarHBondContact OH-CB 3.43Å; Y252-W281 AromaticContact CD1-CH2 3.98Å; Y252-W281 HydrophobicContact CD1-CH2 3.98Å; Y252-W281 HydrophobicContact CD1-CZ2 4.04Å; Y252-W281 HydrophobicContact CE1-CH2 4.24Å; Y252-W281 AromaticContact CE1-CZ2 3.9Å; Y252-W281 HydrophobicContact CE1-CZ2 3.9Å | ||
| 253 | T | 76.4 | Confident | 66.8 | Low | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -146.4 | 136.6 | 175.3 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | S105 A106 I250 W255 W281 | S105-T253 PolarHBondContact O-OG1 2.03Å; A106-T253 HydrophobicContact CB-CG2 4.16Å; I250-T253 HydrophobicContact CG2-CG2 3.6Å; T253-W255 VanDerWaalsContact CB-NE1 3.35Å; T253-W255 HydrophobicContact CG2-CZ2 4.45Å; T253-W255 VanDerWaalsContact CG2-NE1 3.34Å; T253-W281 HydrophobicContact CG2-CZ3 4.26Å | ||
| 254 | N | 80.2 | Confident | 65.6 | Low | 24 Ų | 24 | 61.1 Ų | 61.1 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | trans | -119.7 | 45.5 | 177.8 | -158.5 | 31.1 | 0 | 0 | 0 | 113.1 | Q217 Y252 G279 Q280 W281 | Q217-N254 HydrophobicContact CG-CB 4.49Å; Y252-N254 HydrophobicContact CE1-CB 3.98Å; Y252-N254 WeakPolarHBondContact OH-CB 3.43Å; N254-G279 PolarHBondContact ND2-O 3.17Å; N254-Q280 CarbonylContact O-C 3.53Å; N254-Q280 WeakPolarHBondContact O-CA 3.3Å; N254-W281 HydrophobicContact CB-CD2 4.11Å; N254-W281 HydrophobicContact CB-CG 4.29Å; N254-W281 HydrophobicContact CB-CZ2 4.08Å; N254-W281 PolarHBondContact O-N 3.28Å | ||
| 255 | W | 72.3 | Confident | 64.3 | Low | 29 Ų | 29 | 67.2 Ų | 67.2 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 136.4 | -172.5 | -61.2 | 119.7 | 0 | 0 | 0 | 114.4 | M235 R242 T253 T269 W281 E283 | M235-W255 HydrophobicContact CE-CH2 4.48Å; M235-W255 HydrophobicContact CE-CZ2 4.3Å; M235-W255 HydrophobicContact CG-CH2 4Å; R242-W255 VanDerWaalsContact CD-CZ2 3.43Å; T253-W255 VanDerWaalsContact CB-NE1 3.35Å; T253-W255 HydrophobicContact CG2-CZ2 4.45Å; T253-W255 VanDerWaalsContact CG2-NE1 3.34Å; W255-T269 HydrophobicContact CH2-CG2 4.26Å; W255-T269 HydrophobicContact CZ3-CG2 3.71Å; W255-W281 HydrophobicContact CD2-CE3 4.18Å; W255-W281 HydrophobicContact CE3-CB 3.7Å; W255-W281 HydrophobicContact CE3-CE3 4.11Å; W255-W281 HydrophobicContact CH2-CE3 4.05Å; W255-W281 HydrophobicContact CZ2-CE3 4.08Å; W255-W281 HydrophobicContact CZ2-CZ3 4.4Å; W255-W281 HydrophobicContact CZ3-CB 3.98Å; W255-W281 HydrophobicContact CZ3-CE3 4.07Å; W255-E283 HydrophobicContact CH2-CG 4.32Å; W255-E283 HydrophobicContact CZ3-CG 3.8Å |
| 256 | Y | 66.3 | Low | 63.5 | Low | 12 Ų | 12 | 70.3 Ų | 70.3 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.7 | 166.4 | -172.9 | -113.8 | 0 | 0 | 0 | 110.6 | Q259 H272 H277 W281 E282 E550 K561 | Y256-Q259 PolarHBondContact O-NE2 3.35Å; Y256-H272 AromaticContact CD2-NE2 3.79Å; Y256-H272 AromaticContact CG-NE2 3.96Å; Y256-H277 AromaticContact CE2-CE1 3.69Å; Y256-H277 AromaticContact CE2-CG 3.87Å; Y256-H277 AromaticContact CE2-ND1 3.63Å; Y256-H277 AromaticContact CE2-NE2 3.9Å; Y256-W281 VanDerWaalsContact CB-O 3.25Å; Y256-W281 WeakPolarHBondContact CB-O 3.14Å; Y256-W281 PolarHBondContact N-O 3.16Å; Y256-E282 HydrophobicContact CD1-CG 4.48Å; Y256-E550 PolarHBondContact OH-OE1 3.45Å; Y256-E550 PolarHBondContact OH-OE2 2.82Å; Y256-K561 PolarHBondContact OH-NZ 3.37Å |
| 257 | P | 51.6 | Low | 63.5 | Low | 29 Ų | 29 | 66.3 Ų | 66.3 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -72.1 | 143.9 | -172.7 | 27 | -33.6 | 0 | 0 | 0 | 113.4 | K561 | P257-K561 PolarHBondContact O-NZ 2.88Š|
| 258 | K | 51 | Low | 64 | Low | 74 Ų | 74 | 63 Ų | 63 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | trans | 69.9 | 86.2 | -163.8 | -63.1 | -174.3 | 171.9 | -168.7 | 0 | 114.6 | T552 | K258-T552 PolarHBondContact NZ-OG1 3.06Å; K258-T552 VanDerWaalsContact NZ-OG1 3.11Å | ||
| 259 | Q | 49 | Very low | 64.5 | Low | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | trans | -133.4 | 93.2 | 172.8 | -74.6 | 175.5 | -4.6 | 0 | 0 | 112.7 | Q109 Y256 W281 | Q109-Q259 PolarHBondContact NE2-O 3.13Å; Q109-Q259 PolarHBondContact OE1-O 3.5Å; Y256-Q259 PolarHBondContact O-NE2 3.35Å; Q259-W281 PolarHBondContact NE2-O 3.5Å | ||
| 260 | I | 42.1 | Very low | 65.3 | Low | 77 Ų | 77 | 58.2 Ų | 58.2 | 40% | 0.395 | 29% | 0.285 | S | S | . | . | trans | -142.9 | 110.9 | 148.1 | -55.3 | -178.5 | 0 | 0 | 0 | 105.6 | I112 P116 | I112-I260 HydrophobicContact CG2-CD1 4.46Å; P116-I260 HydrophobicContact CG-CB 4.45Å | ||
| 261 | L | 46 | Very low | 65.9 | Low | 104 Ų | 104 | 55.9 Ų | 55.9 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | trans | -108.6 | 108.7 | 172.8 | -86 | 166.1 | 0 | 0 | 0 | 108.4 | T263 L267 | L261-T263 VanDerWaalsContact C-N 3.32Å; L261-T263 HydrophobicContact CB-CG2 4.34Å; L261-T263 PolarHBondContact O-N 3.44Å; L261-L267 HydrophobicContact CB-CD1 4.07Å | ||
| 262 | D | 41.3 | Very low | 66.4 | Low | 169 Ų | 169 | 53 Ų | 53 | 90% | 0.904 | 26% | 0.257 | S | S | * | . | trans | -81.3 | 80.1 | 178.2 | -165.5 | 16.5 | 0 | 0 | 0 | 109.5 | ||||
| 263 | T | 50.3 | Low | 66.3 | Low | 63 Ų | 63 | 53.6 Ų | 53.6 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | trans | -131.1 | 132.8 | -176.1 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | L261 K265 | L261-T263 VanDerWaalsContact C-N 3.32Å; L261-T263 HydrophobicContact CB-CG2 4.34Å; L261-T263 PolarHBondContact O-N 3.44Å; T263-K265 PolarHBondContact O-N 3.18Å | ||
| 264 | E | 52.1 | Low | 65.6 | Low | 212 Ų | 212 | 57.3 Ų | 57.3 | 99% | 0.991 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -65.5 | -4.2 | 174.8 | -59.6 | -172.8 | 146.3 | 0 | 0 | 114.2 | ||
| 265 | K | 59.8 | Low | 64.3 | Low | 132 Ų | 132 | 60.2 Ų | 60.2 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -82.9 | 147 | 179.3 | -69.3 | -174.3 | 171.7 | -175.1 | 0 | 111.7 | T263 L267 D285 | T263-K265 PolarHBondContact O-N 3.18Å; K265-L267 PolarHBondContact O-N 3.15Å; K265-D285 WeakPolarHBondContact CD-OD2 3.47Å; K265-D285 WeakPolarHBondContact CE-OD2 3.18Å; K265-D285 IonicContact NZ-OD2 2.75Å; K265-D285 PolarHBondContact NZ-OD2 2.04Å |
| 266 | R | 70.7 | Confident | 63.3 | Low | 106 Ų | 106 | 62.6 Ų | 62.6 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -65 | 125.5 | 166.5 | -171.1 | -176.4 | 173.1 | -147 | -2.4 | 109.5 | D193 C286 | D193-R266 IonicContact OD1-CZ 2.68Å; D193-R266 IonicContact OD1-NH1 3.16Å; D193-R266 PolarHBondContact OD1-NH1 3.39Å; D193-R266 IonicContact OD1-NH2 3.84Å; D193-R266 PolarHBondContact OD1-NH2 2.84Å; D193-R266 IonicContact OD2-NH1 2.76Å; D193-R266 PolarHBondContact OD2-NH1 3.29Å; R266-C286 PolarHBondContact O-SG 3.35Å |
| 267 | L | 80 | Confident | 63 | Low | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.5 | 176.7 | -61.3 | 177.1 | 0 | 0 | 0 | 110.7 | L237 L261 K265 E283 V284 | L237-L267 HydrophobicContact CB-CB 4.25Å; L237-L267 HydrophobicContact CD2-CB 4.4Å; L237-L267 HydrophobicContact CD2-CD1 4.25Å; L237-L267 PolarHBondContact N-O 3.32Å; L261-L267 HydrophobicContact CB-CD1 4.07Å; K265-L267 PolarHBondContact O-N 3.15Å; L267-E283 HydrophobicContact CB-CB 4.38Å; L267-E283 HydrophobicContact CD1-CB 4.41Å; L267-V284 WeakPolarHBondContact CA-O 3.42Å |
| 268 | C | 86.4 | Confident | 64 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153.6 | 180 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | W192 W232 V284 C286 | W192-C268 HydrophobicContact CB-CB 3.94Å; W192-C268 HydrophobicContact CD2-CB 4.16Å; W192-C268 HydrophobicContact CG-CB 3.62Å; W232-C268 HydrophobicContact CE3-CB 4.26Å; W232-C268 HydrophobicContact CH2-CB 3.87Å; W232-C268 HydrophobicContact CZ3-CB 3.59Å; C268-V284 PolarHBondContact N-O 2.75Å; C268-V284 PolarHBondContact O-N 3.39Å; C268-V284 VanDerWaalsContact O-O 3.14Å; C268-C286 HydrophobicContact CB-CB 3.89Å; C268-C286 WeakPolarHBondContact CB-SG 3.45Å; C268-C286 PolarHBondContact N-SG 2.85Å; C268-C286 VanDerWaalsContact N-SG 3.36Å; C268-C286 WeakPolarHBondContact SG-CB 3.31Å; C268-C286 CovalentContact SG-SG 2.03Å; C268-C286 PolarHBondContact SG-SG 2.8Å |
| 269 | T | 88.5 | Confident | 65.4 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.6 | -173.4 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | I233 M235 W255 W281 E282 | I233-T269 HydrophobicContact CD1-CG2 3.84Å; I233-T269 HydrophobicContact CG1-CG2 3.95Å; I233-T269 VanDerWaalsContact CG1-O 3.29Å; I233-T269 WeakPolarHBondContact CG1-O 2.95Å; I233-T269 PolarHBondContact N-O 3.33Å; I233-T269 VanDerWaalsContact N-O 3.11Å; M235-T269 HydrophobicContact CB-CG2 4.43Å; M235-T269 WeakPolarHBondContact CB-OG1 3.09Å; M235-T269 VanDerWaalsContact CG-OG1 3.28Å; M235-T269 WeakPolarHBondContact CG-OG1 3.27Å; M235-T269 WeakPolarHBondContact O-CB 2.94Å; M235-T269 PolarHBondContact O-N 3.04Å; M235-T269 PolarHBondContact O-OG1 2.74Å; W255-T269 HydrophobicContact CH2-CG2 4.26Å; W255-T269 HydrophobicContact CZ3-CG2 3.71Å; T269-W281 HydrophobicContact CG2-CB 3.68Å; T269-W281 HydrophobicContact CG2-CG 4.15Å; T269-E282 CarbonylContact C-O 3.58Å; T269-E282 WeakPolarHBondContact CA-O 3.49Å |
| 270 | M | 86.7 | Confident | 66.9 | Low | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 156.2 | 165.9 | 71.7 | 171.3 | 177.9 | 0 | 0 | 111.6 | P230 V231 W232 W281 E282 V284 L290 | P230-M270 HydrophobicContact CB-SD 3.88Å; P230-M270 HydrophobicContact CG-SD 3.89Å; V231-M270 CarbonylContact O-C 3.59Å; V231-M270 WeakPolarHBondContact O-CA 3.01Å; V231-M270 WeakPolarHBondContact O-CB 3.49Å; W232-M270 HydrophobicContact CE3-CB 3.93Å; W232-M270 HydrophobicContact CZ3-CB 4.15Å; M270-W281 CarbonylContact O-C 3.58Å; M270-W281 VanDerWaalsContact O-CA 3.31Å; M270-W281 WeakPolarHBondContact O-CA 3.43Å; M270-E282 HydrophobicContact CE-CB 3.84Å; M270-E282 HydrophobicContact CE-CG 4.25Å; M270-E282 WeakPolarHBondContact CE-OE2 3.36Å; M270-E282 HydrophobicContact CG-CB 4.11Å; M270-E282 PolarHBondContact N-O 2.57Å; M270-E282 PolarHBondContact O-N 3.4Å; M270-V284 HydrophobicContact CB-CG2 4.23Å; M270-V284 HydrophobicContact CE-CG1 3.82Å; M270-V284 HydrophobicContact CE-CG2 4.38Å; M270-V284 HydrophobicContact CG-CG2 3.82Å; M270-V284 HydrophobicContact SD-CG2 4.02Å; M270-L290 HydrophobicContact CB-CD1 3.59Å; M270-L290 HydrophobicContact CG-CD1 4.19Å; M270-L290 HydrophobicContact SD-CD1 3.57Å; M270-L290 VanDerWaalsContact SD-CD1 3.57Å |
| 271 | M | 86.4 | Confident | 68.9 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.5 | 172.8 | -170.2 | -164.3 | -49.1 | 0 | 0 | 109.8 | I211 Q217 L220 I224 P230 V231 I233 G279 Q280 | I211-M271 HydrophobicContact CD1-CE 3.37Å; Q217-M271 PolarHBondContact NE2-SD 3.07Å; L220-M271 HydrophobicContact CB-CE 3.92Å; L220-M271 HydrophobicContact CB-SD 4.37Å; L220-M271 HydrophobicContact CD1-CE 4.09Å; I224-M271 HydrophobicContact CD1-CB 4.36Å; I224-M271 HydrophobicContact CD1-CG 3.83Å; I224-M271 HydrophobicContact CD1-SD 3.44Å; I224-M271 WeakPolarHBondContact CD1-SD 3.39Å; I224-M271 HydrophobicContact CG1-SD 4.32Å; P230-M271 WeakPolarHBondContact CA-O 3.36Å; P230-M271 WeakPolarHBondContact CB-O 3.35Å; V231-M271 HydrophobicContact CG2-CB 3.79Å; V231-M271 PolarHBondContact N-O 3.24Å; V231-M271 PolarHBondContact O-N 2.95Å; I233-M271 HydrophobicContact CG2-CB 4.19Å; I233-M271 HydrophobicContact CG2-CE 3.61Å; M271-G279 WeakPolarHBondContact CG-O 3.37Å; M271-Q280 WeakPolarHBondContact CA-O 3.28Å |
| 272 | H | 81.3 | Confident | 70.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | trans | -74.6 | 136.7 | 177.9 | -66.6 | -50.7 | 0 | 0 | 0 | 112.8 | I224 Y256 R274 H277 G279 Q280 E282 | I224-H272 VanDerWaalsContact CD1-O 3.25Å; I224-H272 WeakPolarHBondContact CD1-O 3.33Å; Y256-H272 AromaticContact CD2-NE2 3.79Å; Y256-H272 AromaticContact CG-NE2 3.96Å; H272-R274 PolarHBondContact CE1-NH2 2.75Å; H272-R274 VanDerWaalsContact CE1-NH2 3.27Å; H272-H277 HydrophobicContact CB-CB 4.05Å; H272-H277 WeakPolarHBondContact CB-O 3.49Å; H272-G279 PolarHBondContact O-N 2.76Å; H272-Q280 PolarHBondContact N-O 2.95Å; H272-E282 IonicContact CE1-OE2 3.96Å; H272-E282 PolarHBondContact CE1-OE2 3.44Å; H272-E282 IonicContact NE2-OE2 3.37Å | ||
| 273 | Q | 74.1 | Confident | 72.4 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 13% | 0.131 | 23% | 0.226 | C | C | . | . | trans | -95.8 | -16.8 | 172.3 | 87.9 | -57 | 4.7 | 0 | 0 | 113.5 | I224 S227 S228 | I224-Q273 HydrophobicContact CD1-CB 4.19Å; I224-Q273 HydrophobicContact CG1-CB 4.42Å; S227-Q273 WeakPolarHBondContact O-CG 3.4Å; S228-Q273 PolarHBondContact O-NE2 3.2Å | ||
| 274 | R | 61 | Low | 73.8 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -57 | 131.7 | -178.9 | -64.5 | -175.7 | -74.1 | -180 | -3 | 110.8 | H272 L276 H277 L278 | H272-R274 PolarHBondContact CE1-NH2 2.75Å; H272-R274 VanDerWaalsContact CE1-NH2 3.27Å; R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 2.87Å; R274-L276 VanDerWaalsContact O-N 3.12Å; R274-H277 CarbonylContact O-C 3.45Å; R274-H277 PolarHBondContact O-N 2.82Å; R274-L278 WeakPolarHBondContact O-CA 3.38Å; R274-L278 PolarHBondContact O-N 2.77Å |
| 275 | P | 53.7 | Low | 75.2 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 55% | 0.545 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -50.5 | -43.1 | -173.8 | -31.7 | 35.9 | 0 | 0 | 0 | 115.4 | H277 N357 | P275-H277 VanDerWaalsContact C-N 3.31Å; P275-H277 PolarHBondContact O-N 3.02Å; P275-N357 WeakPolarHBondContact O-CB 3.46Å; P275-N357 PolarHBondContact O-ND2 3.2Å |
| 276 | L | 50.8 | Low | 76.4 | Confident | 79 Ų | 79 | 31.7 Ų | 31.7 | 41% | 0.414 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -66.9 | -28.6 | -179.9 | -161.5 | 73.1 | 0 | 0 | 0 | 113.7 | R274 | R274-L276 VanDerWaalsContact C-N 3.32Å; R274-L276 PolarHBondContact O-N 2.87Å; R274-L276 VanDerWaalsContact O-N 3.12Å |
| 277 | H | 60.9 | Low | 76.8 | Confident | 39 Ų | 39 | 30.2 Ų | 30.2 | 18% | 0.181 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -118.1 | 18.2 | -174.6 | -63.3 | -54.8 | 0 | 0 | 0 | 112.8 | Y256 H272 R274 P275 G279 Q280 | Y256-H277 AromaticContact CE2-CE1 3.69Å; Y256-H277 AromaticContact CE2-CG 3.87Å; Y256-H277 AromaticContact CE2-ND1 3.63Å; Y256-H277 AromaticContact CE2-NE2 3.9Å; H272-H277 HydrophobicContact CB-CB 4.05Å; H272-H277 WeakPolarHBondContact CB-O 3.49Å; R274-H277 CarbonylContact O-C 3.45Å; R274-H277 PolarHBondContact O-N 2.82Å; P275-H277 VanDerWaalsContact C-N 3.31Å; P275-H277 PolarHBondContact O-N 3.02Å; H277-G279 PolarHBondContact O-N 2.82Å; H277-G279 VanDerWaalsContact O-N 3.16Å; H277-Q280 PolarHBondContact ND1-OE1 3.39Å; H277-Q280 VanDerWaalsContact O-CB 3.31Å; H277-Q280 WeakPolarHBondContact O-CB 3.02Å; H277-Q280 PolarHBondContact O-N 2.78Å |
| 278 | L | 70.8 | Confident | 76.9 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 121.3 | -169.7 | -177.8 | 68.7 | 0 | 0 | 0 | 111.7 | I224 A225 R274 Q280 N357 D358 | I224-L278 HydrophobicContact CD1-CD1 4.34Å; I224-L278 HydrophobicContact CG1-CD1 3.92Å; A225-L278 HydrophobicContact CB-CD1 4.44Å; A225-L278 HydrophobicContact CB-CD2 4.3Å; R274-L278 WeakPolarHBondContact O-CA 3.38Å; R274-L278 PolarHBondContact O-N 2.77Å; L278-Q280 VanDerWaalsContact C-N 3.34Å; L278-N357 HydrophobicContact CB-CB 4.25Å; L278-N357 HydrophobicContact CD2-CB 4.35Å; L278-D358 VanDerWaalsContact CD2-CA 3.49Å; L278-D358 HydrophobicContact CD2-CB 3.53Å |
| 279 | G | 80.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -8.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q217 S221 N254 M271 H272 H277 W281 | Q217-G279 VanDerWaalsContact NE2-CA 3.28Å; Q217-G279 PolarHBondContact NE2-O 3.23Å; Q217-G279 PolarHBondContact OE1-O 3.03Å; S221-G279 WeakPolarHBondContact OG-CA 3.34Å; N254-G279 PolarHBondContact ND2-O 3.17Å; M271-G279 WeakPolarHBondContact CG-O 3.37Å; H272-G279 PolarHBondContact O-N 2.76Å; H277-G279 PolarHBondContact O-N 2.82Å; H277-G279 VanDerWaalsContact O-N 3.16Å; G279-W281 PolarHBondContact O-NE1 2.94Å |
| 280 | Q | 80.7 | Confident | 76.5 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | trans | -73.5 | 146.9 | 179.7 | -65.7 | -178.8 | -18.8 | 0 | 0 | 111.6 | N254 M271 H272 H277 L278 | N254-Q280 CarbonylContact O-C 3.53Å; N254-Q280 WeakPolarHBondContact O-CA 3.3Å; M271-Q280 WeakPolarHBondContact CA-O 3.28Å; H272-Q280 PolarHBondContact N-O 2.95Å; H277-Q280 PolarHBondContact ND1-OE1 3.39Å; H277-Q280 VanDerWaalsContact O-CB 3.31Å; H277-Q280 WeakPolarHBondContact O-CB 3.02Å; H277-Q280 PolarHBondContact O-N 2.78Å; L278-Q280 VanDerWaalsContact C-N 3.34Å | ||
| 281 | W | 84 | Confident | 76.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.5 | -170.3 | -58.5 | -6.2 | 0 | 0 | 0 | 112.6 | I211 I233 M235 W244 Y252 T253 N254 W255 Y256 Q259 T269 M270 G279 | I211-W281 HydrophobicContact CB-CH2 4.17Å; I211-W281 HydrophobicContact CB-CZ2 3.76Å; I211-W281 HydrophobicContact CD1-CZ2 3.86Å; I211-W281 HydrophobicContact CG1-CZ2 4.33Å; I211-W281 HydrophobicContact CG2-CH2 4.49Å; I211-W281 HydrophobicContact CG2-CZ2 3.87Å; I233-W281 HydrophobicContact CD1-CD2 4.04Å; I233-W281 HydrophobicContact CD1-CG 4.04Å; M235-W281 HydrophobicContact CE-CZ3 4.15Å; W244-W281 AromaticContact CH2-CH2 3.97Å; W244-W281 HydrophobicContact CH2-CH2 3.97Å; W244-W281 HydrophobicContact CH2-CZ2 4.33Å; W244-W281 HydrophobicContact CH2-CZ3 4.22Å; W244-W281 AromaticContact CZ2-CH2 3.66Å; W244-W281 HydrophobicContact CZ2-CH2 3.66Å; W244-W281 HydrophobicContact CZ2-CZ2 4.38Å; W244-W281 AromaticContact CZ2-CZ3 3.96Å; W244-W281 HydrophobicContact CZ2-CZ3 3.96Å; Y252-W281 AromaticContact CD1-CH2 3.98Å; Y252-W281 HydrophobicContact CD1-CH2 3.98Å; Y252-W281 HydrophobicContact CD1-CZ2 4.04Å; Y252-W281 HydrophobicContact CE1-CH2 4.24Å; Y252-W281 AromaticContact CE1-CZ2 3.9Å; Y252-W281 HydrophobicContact CE1-CZ2 3.9Å; T253-W281 HydrophobicContact CG2-CZ3 4.26Å; N254-W281 HydrophobicContact CB-CD2 4.11Å; N254-W281 HydrophobicContact CB-CG 4.29Å; N254-W281 HydrophobicContact CB-CZ2 4.08Å; N254-W281 PolarHBondContact O-N 3.28Å; W255-W281 HydrophobicContact CD2-CE3 4.18Å; W255-W281 HydrophobicContact CE3-CB 3.7Å; W255-W281 HydrophobicContact CE3-CE3 4.11Å; W255-W281 HydrophobicContact CH2-CE3 4.05Å; W255-W281 HydrophobicContact CZ2-CE3 4.08Å; W255-W281 HydrophobicContact CZ2-CZ3 4.4Å; W255-W281 HydrophobicContact CZ3-CB 3.98Å; W255-W281 HydrophobicContact CZ3-CE3 4.07Å; Y256-W281 VanDerWaalsContact CB-O 3.25Å; Y256-W281 WeakPolarHBondContact CB-O 3.14Å; Y256-W281 PolarHBondContact N-O 3.16Å; Q259-W281 PolarHBondContact NE2-O 3.5Å; T269-W281 HydrophobicContact CG2-CB 3.68Å; T269-W281 HydrophobicContact CG2-CG 4.15Å; M270-W281 CarbonylContact O-C 3.58Å; M270-W281 VanDerWaalsContact O-CA 3.31Å; M270-W281 WeakPolarHBondContact O-CA 3.43Å; G279-W281 PolarHBondContact O-NE1 2.94Å |
| 282 | E | 80.1 | Confident | 76.8 | Confident | 55 Ų | 55 | 36.2 Ų | 36.2 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.7 | 174.3 | -161.2 | -176 | 163.5 | 0 | 0 | 111.6 | Y256 T269 M270 H272 V284 | Y256-E282 HydrophobicContact CD1-CG 4.48Å; T269-E282 CarbonylContact C-O 3.58Å; T269-E282 WeakPolarHBondContact CA-O 3.49Å; M270-E282 HydrophobicContact CE-CB 3.84Å; M270-E282 HydrophobicContact CE-CG 4.25Å; M270-E282 WeakPolarHBondContact CE-OE2 3.36Å; M270-E282 HydrophobicContact CG-CB 4.11Å; M270-E282 PolarHBondContact N-O 2.57Å; M270-E282 PolarHBondContact O-N 3.4Å; H272-E282 IonicContact CE1-OE2 3.96Å; H272-E282 PolarHBondContact CE1-OE2 3.44Å; H272-E282 IonicContact NE2-OE2 3.37Å; E282-V284 HydrophobicContact CG-CG1 4.04Å |
| 283 | E | 80.8 | Confident | 77.3 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116.1 | 169.8 | -68.8 | -170.5 | 130.4 | 0 | 0 | 110.4 | R242 W255 L267 | R242-E283 WeakPolarHBondContact CD-OE1 3.46Å; R242-E283 IonicContact CZ-OE1 3Å; R242-E283 IonicContact CZ-OE2 2.73Å; R242-E283 VanDerWaalsContact NE-CD 3.25Å; R242-E283 IonicContact NE-OE1 3.56Å; R242-E283 PolarHBondContact NE-OE1 2.64Å; R242-E283 IonicContact NE-OE2 2.65Å; R242-E283 PolarHBondContact NE-OE2 2.65Å; R242-E283 IonicContact NH2-OE1 2.71Å; R242-E283 IonicContact NH2-OE2 2.62Å; R242-E283 PolarHBondContact NH2-OE2 3.04Å; W255-E283 HydrophobicContact CH2-CG 4.32Å; W255-E283 HydrophobicContact CZ3-CG 3.8Å; L267-E283 HydrophobicContact CB-CB 4.38Å; L267-E283 HydrophobicContact CD1-CB 4.41Å |
| 284 | V | 81.4 | Confident | 78.1 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 166.6 | -176.6 | -73 | 0 | 0 | 0 | 0 | 111.2 | W232 L267 C268 M270 E282 C286 | W232-V284 HydrophobicContact CH2-CG2 3.65Å; W232-V284 HydrophobicContact CZ3-CG2 3.59Å; L267-V284 WeakPolarHBondContact CA-O 3.42Å; C268-V284 PolarHBondContact N-O 2.75Å; C268-V284 PolarHBondContact O-N 3.39Å; C268-V284 VanDerWaalsContact O-O 3.14Å; M270-V284 HydrophobicContact CB-CG2 4.23Å; M270-V284 HydrophobicContact CE-CG1 3.82Å; M270-V284 HydrophobicContact CE-CG2 4.38Å; M270-V284 HydrophobicContact CG-CG2 3.82Å; M270-V284 HydrophobicContact SD-CG2 4.02Å; E282-V284 HydrophobicContact CG-CG1 4.04Å; V284-C286 PolarHBondContact O-N 3.16Å |
| 285 | D | 79.7 | Confident | 79.5 | Confident | 43 Ų | 43 | 30.1 Ų | 30.1 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 121.5 | 177.4 | -175.1 | -35.1 | 0 | 0 | 0 | 110.7 | W232 K265 S287 S288 | W232-D285 WeakPolarHBondContact CH2-O 3.18Å; K265-D285 WeakPolarHBondContact CD-OD2 3.47Å; K265-D285 WeakPolarHBondContact CE-OD2 3.18Å; K265-D285 IonicContact NZ-OD2 2.75Å; K265-D285 PolarHBondContact NZ-OD2 2.04Å; D285-S287 PolarHBondContact O-N 3.41Å; D285-S287 VanDerWaalsContact OD1-CB 3.31Å; D285-S287 WeakPolarHBondContact OD1-CB 3.27Å; D285-S287 PolarHBondContact OD1-N 2.81Å; D285-S287 PolarHBondContact OD1-OG 3.36Å; D285-S288 VanDerWaalsContact O-CB 3.29Å; D285-S288 WeakPolarHBondContact O-CB 3.01Å; D285-S288 PolarHBondContact O-N 3.3Å; D285-S288 PolarHBondContact O-OG 3.3Å |
| 286 | C | 85.1 | Confident | 81.2 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -20.6 | -178.5 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | W192 R266 C268 V284 S288 | W192-C286 HydrophobicContact CB-CB 4.22Å; W192-C286 PolarHBondContact N-O 2.97Å; R266-C286 PolarHBondContact O-SG 3.35Å; C268-C286 HydrophobicContact CB-CB 3.89Å; C268-C286 WeakPolarHBondContact CB-SG 3.45Å; C268-C286 PolarHBondContact N-SG 2.85Å; C268-C286 VanDerWaalsContact N-SG 3.36Å; C268-C286 WeakPolarHBondContact SG-CB 3.31Å; C268-C286 CovalentContact SG-SG 2.03Å; C268-C286 PolarHBondContact SG-SG 2.8Å; V284-C286 PolarHBondContact O-N 3.16Å; C286-S288 VanDerWaalsContact C-N 3.26Å; C286-S288 PolarHBondContact O-N 3.42Å |
| 287 | S | 79.7 | Confident | 82.7 | Confident | 75 Ų | 75 | 24.9 Ų | 24.9 | 52% | 0.524 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.5 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | D285 S289 | D285-S287 PolarHBondContact O-N 3.41Å; D285-S287 VanDerWaalsContact OD1-CB 3.31Å; D285-S287 WeakPolarHBondContact OD1-CB 3.27Å; D285-S287 PolarHBondContact OD1-N 2.81Å; D285-S287 PolarHBondContact OD1-OG 3.36Å; S287-S289 PolarHBondContact O-N 2.85Å |
| 288 | S | 82.1 | Confident | 83.6 | Confident | 41 Ų | 41 | 23.7 Ų | 23.7 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | trans | -59.2 | 130.5 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | A191 W232 D285 C286 L290 | A191-S288 WeakPolarHBondContact CA-O 3.28Å; W232-S288 WeakPolarHBondContact CZ2-O 3.3Å; W232-S288 PolarHBondContact NE1-O 3.07Å; W232-S288 VanDerWaalsContact NE1-O 3.08Å; D285-S288 VanDerWaalsContact O-CB 3.29Å; D285-S288 WeakPolarHBondContact O-CB 3.01Å; D285-S288 PolarHBondContact O-N 3.3Å; D285-S288 PolarHBondContact O-OG 3.3Å; C286-S288 VanDerWaalsContact C-N 3.26Å; C286-S288 PolarHBondContact O-N 3.42Å; S288-L290 PolarHBondContact O-N 3.17Å | ||
| 289 | S | 81.3 | Confident | 83.8 | Confident | 72 Ų | 72 | 28.2 Ų | 28.2 | 50% | 0.503 | 17% | 0.168 | S | C | . | . | trans | -92.8 | 101.6 | -176.3 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | L190 S287 | L190-S289 WeakPolarHBondContact O-CA 3.3Å; S287-S289 PolarHBondContact O-N 2.85Å | ||
| 290 | L | 85.6 | Confident | 83.4 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -120.1 | 170.8 | -173.1 | -57.9 | -175.7 | 0 | 0 | 0 | 112.7 | R189 L190 P230 W232 M270 S288 | R189-L290 VanDerWaalsContact CA-O 3.29Å; R189-L290 WeakPolarHBondContact CA-O 3.47Å; L190-L290 PolarHBondContact N-O 2.77Å; L190-L290 PolarHBondContact O-N 3.48Å; L190-L290 VanDerWaalsContact O-N 3.11Å; P230-L290 HydrophobicContact CG-CD2 4.16Å; W232-L290 HydrophobicContact CD2-CB 4.44Å; W232-L290 HydrophobicContact CD2-CD1 3.87Å; W232-L290 HydrophobicContact CD2-CG 4.44Å; W232-L290 HydrophobicContact CE3-CD1 4.09Å; W232-L290 HydrophobicContact CG-CB 4.27Å; W232-L290 HydrophobicContact CG-CD1 4.43Å; W232-L290 HydrophobicContact CH2-CD1 4.39Å; W232-L290 HydrophobicContact CZ2-CD1 4.16Å; W232-L290 HydrophobicContact CZ2-CG 4.41Å; W232-L290 HydrophobicContact CZ3-CD1 4.33Å; M270-L290 HydrophobicContact CB-CD1 3.59Å; M270-L290 HydrophobicContact CG-CD1 4.19Å; M270-L290 HydrophobicContact SD-CD1 3.57Å; M270-L290 VanDerWaalsContact SD-CD1 3.57Å; S288-L290 PolarHBondContact O-N 3.17Å |
| 291 | N | 88.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 170.7 | 160.2 | -71.6 | 4.7 | 0 | 0 | 0 | 109 | R183 S227 P230 V231 W232 | R183-N291 WeakPolarHBondContact O-CB 3.32Å; S227-N291 PolarHBondContact OG-ND2 3.17Å; S227-N291 VanDerWaalsContact OG-ND2 3.11Å; P230-N291 PolarHBondContact O-N 2.96Å; V231-N291 CarbonylContact C-O 3.51Å; V231-N291 VanDerWaalsContact CA-O 3.26Å; V231-N291 WeakPolarHBondContact CA-O 3.24Å; V231-N291 HydrophobicContact CG1-CB 3.86Å; W232-N291 PolarHBondContact N-O 3.39Å |
| 292 | Y | 90.9 | Very high | 81.4 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 154.6 | -178.4 | 57.7 | -82.7 | 0 | 0 | 0 | 113.8 | R183 L190 A195 R198 L208 | R183-Y292 HydrophobicContact CB-CD1 4.2Å; R183-Y292 HydrophobicContact CB-CD2 4.18Å; R183-Y292 HydrophobicContact CB-CE1 3.86Å; R183-Y292 HydrophobicContact CB-CE2 3.86Å; R183-Y292 HydrophobicContact CB-CG 4.32Å; R183-Y292 HydrophobicContact CG-CD2 4.2Å; R183-Y292 HydrophobicContact CG-CE2 3.66Å; R183-Y292 PolarHBondContact N-O 3.11Å; R183-Y292 PolarHBondContact O-N 3.43Å; L190-Y292 HydrophobicContact CB-CE1 4.49Å; L190-Y292 HydrophobicContact CD1-CE1 3.98Å; L190-Y292 HydrophobicContact CG-CE1 4.4Å; A195-Y292 HydrophobicContact CB-CD1 3.92Å; A195-Y292 HydrophobicContact CB-CD2 4Å; A195-Y292 HydrophobicContact CB-CE1 4.47Å; A195-Y292 HydrophobicContact CB-CG 3.7Å; R198-Y292 HydrophobicContact CB-CE2 4.44Å; R198-Y292 WeakPolarHBondContact CG-OH 3.46Å; L208-Y292 HydrophobicContact CD2-CD2 4.15Å; L208-Y292 HydrophobicContact CD2-CG 4.38Å |
| 293 | I | 91.9 | Very high | 80 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.8 | 174.7 | -47.9 | -174.5 | 0 | 0 | 0 | 109.9 | Y180 L182 L208 A209 L220 I224 V231 W232 | Y180-I293 HydrophobicContact CD1-CG2 4.46Å; L182-I293 HydrophobicContact CD1-CG1 4.08Å; L208-I293 WeakPolarHBondContact CA-O 3.32Å; A209-I293 HydrophobicContact CB-CB 4.03Å; A209-I293 HydrophobicContact CB-CG2 3.92Å; A209-I293 PolarHBondContact N-O 3.19Å; L220-I293 HydrophobicContact CB-CD1 4.28Å; L220-I293 HydrophobicContact CD1-CD1 4.42Å; L220-I293 HydrophobicContact CD2-CD1 3.9Å; L220-I293 HydrophobicContact CD2-CG2 4.15Å; L220-I293 HydrophobicContact CG-CD1 4.42Å; I224-I293 HydrophobicContact CG2-CD1 3.66Å; I224-I293 HydrophobicContact CG2-CG1 4.35Å; V231-I293 HydrophobicContact CB-CG1 4.19Å; V231-I293 HydrophobicContact CG2-CD1 3.99Å; V231-I293 HydrophobicContact CG2-CG1 3.93Å; W232-I293 PolarHBondContact O-N 2.76Å |
| 294 | C | 90.9 | Very high | 78.2 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.4 | 167.6 | -56.5 | 0 | 0 | 0 | 0 | 111 | Y172 Y180 L181 C199 S207 | Y172-C294 HydrophobicContact CE1-CB 4.07Å; Y180-C294 CarbonylContact C-O 3.56Å; Y180-C294 WeakPolarHBondContact CA-O 3.21Å; L181-C294 PolarHBondContact N-O 2.99Å; L181-C294 PolarHBondContact O-N 2.91Å; C199-C294 WeakPolarHBondContact CA-SG 3.37Å; C199-C294 HydrophobicContact CB-CB 3.74Å; C199-C294 WeakPolarHBondContact CB-SG 3.35Å; C199-C294 WeakPolarHBondContact SG-CA 3.43Å; C199-C294 WeakPolarHBondContact SG-CB 3.17Å; C199-C294 CovalentContact SG-SG 2.04Å; C199-C294 PolarHBondContact SG-SG 3.5Å; S207-C294 CarbonylContact O-C 3.43Å; S207-C294 VanDerWaalsContact O-CA 3.26Å; S207-C294 WeakPolarHBondContact O-CA 3.11Å |
| 295 | Q | 90.9 | Very high | 76.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.8 | 174.1 | -179.5 | -168.8 | 45.5 | 0 | 0 | 109.8 | N178 C179 Y180 A206 S207 A209 T210 E216 R246 | N178-Q295 HydrophobicContact CB-CG 4.32Å; N178-Q295 PolarHBondContact ND2-NE2 3.33Å; C179-Q295 CarbonylContact O-C 3.52Å; C179-Q295 VanDerWaalsContact O-CA 3.3Å; C179-Q295 WeakPolarHBondContact O-CA 3.21Å; Y180-Q295 HydrophobicContact CD1-CB 3.98Å; Y180-Q295 HydrophobicContact CD1-CG 3.91Å; Y180-Q295 HydrophobicContact CE1-CB 4.05Å; Y180-Q295 HydrophobicContact CE1-CG 3.55Å; Y180-Q295 VanDerWaalsContact CE1-NE2 3.33Å; Y180-Q295 PolarHBondContact OH-NE2 3.32Å; Y180-Q295 VanDerWaalsContact OH-NE2 3.09Å; A206-Q295 CarbonylContact C-O 3.58Å; A206-Q295 WeakPolarHBondContact CA-O 3.34Å; S207-Q295 PolarHBondContact N-O 3.27Å; S207-Q295 PolarHBondContact O-N 3.46Å; A209-Q295 HydrophobicContact CB-CB 3.79Å; T210-Q295 PolarHBondContact OG1-OE1 3.19Å; T210-Q295 VanDerWaalsContact OG1-OE1 3.07Å; E216-Q295 PolarHBondContact OE1-NE2 2.88Å; E216-Q295 VanDerWaalsContact OE1-NE2 3.08Å; R246-Q295 VanDerWaalsContact CD-OE1 3.23Å |
| 296 | V | 87.7 | Confident | 74.3 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.2 | 170.8 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | P169 Y172 C179 L205 A206 | P169-V296 HydrophobicContact CG-CG1 4.07Å; Y172-V296 HydrophobicContact CD1-CG1 3.9Å; Y172-V296 HydrophobicContact CE1-CB 4.5Å; Y172-V296 HydrophobicContact CE1-CG1 3.81Å; Y172-V296 HydrophobicContact CG-CG1 4.49Å; C179-V296 HydrophobicContact CB-CG1 3.71Å; C179-V296 WeakPolarHBondContact CB-O 3.31Å; C179-V296 PolarHBondContact N-O 3.41Å; C179-V296 PolarHBondContact O-N 3.15Å; L205-V296 HydrophobicContact CB-CG2 3.99Å; A206-V296 HydrophobicContact CB-CB 3.96Å; A206-V296 HydrophobicContact CB-CG2 4.36Å |
| 297 | A | 82.7 | Confident | 72 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 148.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 298 | A | 81 | Confident | 69.9 | Low | 15 Ų | 15 | 66.7 Ų | 66.7 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 141.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L166 L174 N177 C179 | L166-A298 HydrophobicContact CB-CB 4.05Å; L166-A298 HydrophobicContact CD1-CB 4.37Å; L166-A298 HydrophobicContact CD2-CB 4.14Å; L166-A298 HydrophobicContact CG-CB 4.42Å; L174-A298 HydrophobicContact CD1-CB 3.74Å; N177-A298 WeakPolarHBondContact O-CB 3.5Å; N177-A298 PolarHBondContact O-N 3.27Å; C179-A298 VanDerWaalsContact SG-CA 3.59Å; C179-A298 VanDerWaalsContact SG-CB 3.53Å |
| 299 | E | 73.8 | Confident | 67.8 | Low | 114 Ų | 114 | 71.5 Ų | 71.5 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.2 | -178.7 | -70.6 | -178.5 | -166.5 | 0 | 0 | 111.7 | I167 | I167-E299 PolarHBondContact N-O 2.94Å; I167-E299 PolarHBondContact O-N 3.3Å |
| 300 | P | 72.5 | Confident | 65.6 | Low | 97 Ų | 97 | 73.3 Ų | 73.3 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130 | 175 | 29.5 | -33.7 | 0 | 0 | 0 | 111.2 | I302 | P300-I302 PolarHBondContact O-N 2.82Å |
| 301 | K | 64.7 | Low | 63.4 | Low | 123 Ų | 123 | 76.2 Ų | 76.2 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | trans | -63 | 95.7 | -176.5 | -175.6 | 170.8 | -170.8 | 172.7 | 0 | 112.4 | T165 I167 S303 | T165-K301 WeakPolarHBondContact O-CB 3.48Å; T165-K301 PolarHBondContact O-N 3Å; I167-K301 HydrophobicContact CD1-CB 3.94Å; I167-K301 HydrophobicContact CD1-CD 3.87Å; I167-K301 HydrophobicContact CD1-CG 3.66Å; I167-K301 HydrophobicContact CG1-CB 4.23Å; I167-K301 HydrophobicContact CG1-CD 4.37Å; I167-K301 HydrophobicContact CG1-CG 4.39Å; K301-S303 PolarHBondContact O-N 3.43Å | ||
| 302 | I | 57.1 | Low | 61.2 | Low | 144 Ų | 144 | 82.1 Ų | 82.1 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | trans | -59.7 | 127.5 | 174.3 | -59.6 | 178.1 | 0 | 0 | 0 | 109.4 | P300 S304 | P300-I302 PolarHBondContact O-N 2.82Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 2.86Å | ||
| 303 | S | 51.2 | Low | 59.1 | Low | 126 Ų | 126 | 83.3 Ų | 83.3 | 88% | 0.881 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -85.6 | 55.1 | -170 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | K301 | K301-S303 PolarHBondContact O-N 3.43Š|
| 304 | S | 44.2 | Very low | 57.3 | Low | 84 Ų | 84 | 85.8 Ų | 85.8 | 59% | 0.587 | 52% | 0.524 | S | S | * | . | trans | -150.5 | 168.1 | 169.7 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | I302 | I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 2.86Å | ||
| 305 | I | 39.6 | Very low | 55.8 | Low | 170 Ų | 170 | 88.9 Ų | 88.9 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | trans | 74.7 | 125.4 | -172.9 | -51.1 | 175.4 | 0 | 0 | 0 | 113.9 | ||||
| 306 | S | 38.5 | Very low | 54.5 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | trans | -104.8 | 166.5 | -176.1 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | T308 | S306-T308 PolarHBondContact O-N 2.85Š| ||
| 307 | S | 38 | Very low | 53.6 | Low | 108 Ų | 108 | 91 Ų | 91 | 76% | 0.755 | 55% | 0.552 | S | S | * | * | trans | 58.3 | 51.6 | 145.1 | 62.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 308 | T | 35 | Very low | 53 | Low | 121 Ų | 121 | 91.9 Ų | 91.9 | 74% | 0.742 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -145.5 | 149.3 | 138.5 | 12.9 | 0 | 0 | 0 | 0 | 109.5 | S306 V310 | S306-T308 PolarHBondContact O-N 2.85Å; T308-V310 PolarHBondContact O-N 3.08Å |
| 309 | T | 37.5 | Very low | 52.3 | Low | 141 Ų | 141 | 95.6 Ų | 95.6 | 87% | 0.865 | 57% | 0.567 | S | S | * | * | trans | -31.1 | 88.8 | -178.6 | 49 | 0 | 0 | 0 | 0 | 115.2 | S311 | T309-S311 PolarHBondContact O-N 2.66Š| ||
| 310 | V | 35 | Very low | 52.1 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 67% | 0.667 | 57% | 0.565 | S | S | * | * | trans | -73.1 | 100.6 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | T308 T312 | T308-V310 PolarHBondContact O-N 3.08Å; V310-T312 PolarHBondContact O-N 2.81Å | ||
| 311 | S | 39.8 | Very low | 52.1 | Low | 85 Ų | 85 | 91.5 Ų | 91.5 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | trans | -54.8 | 113.6 | 167.8 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | T309 S313 | T309-S311 PolarHBondContact O-N 2.66Å; S311-S313 PolarHBondContact O-N 3.2Å | ||
| 312 | T | 43.3 | Very low | 52.7 | Low | 127 Ų | 127 | 86 Ų | 86 | 78% | 0.779 | 54% | 0.542 | S | S | * | . | trans | -53.2 | 126 | 174.9 | 45.8 | 0 | 0 | 0 | 0 | 109 | V310 S314 | V310-T312 PolarHBondContact O-N 2.81Å; T312-S314 PolarHBondContact O-N 2.83Å | ||
| 313 | S | 45.6 | Very low | 53.4 | Low | 39 Ų | 39 | 86 Ų | 86 | 27% | 0.273 | 54% | 0.537 | S | S | . | . | trans | -55 | 115 | 177.1 | 37.7 | 0 | 0 | 0 | 0 | 108.6 | S311 L315 | S311-S313 PolarHBondContact O-N 3.2Å; S313-L315 PolarHBondContact O-N 2.75Å | ||
| 314 | S | 53.8 | Low | 54.3 | Low | 51 Ų | 51 | 83.8 Ų | 83.8 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | trans | -73.8 | 93.8 | -172.2 | 53 | 0 | 0 | 0 | 0 | 109.3 | K173 L174 T312 | K173-S314 WeakPolarHBondContact CA-O 3.38Å; K173-S314 VanDerWaalsContact CB-O 3.22Å; K173-S314 WeakPolarHBondContact CB-O 3.44Å; L174-S314 PolarHBondContact N-O 3.05Å; T312-S314 PolarHBondContact O-N 2.83Å | ||
| 315 | L | 59.4 | Low | 55.5 | Low | 67 Ų | 67 | 84.4 Ų | 84.4 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -54.2 | 149 | 166.2 | -73 | 144.3 | 0 | 0 | 0 | 109.8 | L174 S313 L317 T318 | L174-L315 HydrophobicContact CB-CD2 4.42Å; L174-L315 HydrophobicContact CD2-CD2 4.18Å; L174-L315 HydrophobicContact CG-CD2 4.43Å; S313-L315 PolarHBondContact O-N 2.75Å; L315-L317 WeakPolarHBondContact CB-O 3.31Å; L315-L317 PolarHBondContact O-N 3.37Å; L315-T318 VanDerWaalsContact O-CG2 3.27Å; L315-T318 WeakPolarHBondContact O-CG2 3.46Å |
| 316 | I | 65.1 | Low | 57.5 | Low | 19 Ų | 19 | 77.6 Ų | 77.6 | 10% | 0.097 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -66.9 | -32.1 | 176.8 | -60.3 | 176.6 | 0 | 0 | 0 | 110.7 | K173 F175 A219 V222 L365 | K173-I316 HydrophobicContact CB-CG1 4Å; K173-I316 HydrophobicContact CD-CG1 4.2Å; F175-I316 HydrophobicContact CB-CD1 3.85Å; F175-I316 HydrophobicContact CD2-CD1 4.4Å; F175-I316 HydrophobicContact CG-CD1 4.3Å; A219-I316 HydrophobicContact CB-CD1 3.8Å; V222-I316 HydrophobicContact CG1-CG2 3.93Å; I316-L365 HydrophobicContact CB-CD2 4.25Å; I316-L365 HydrophobicContact CG2-CD2 3.65Å |
| 317 | L | 68.5 | Low | 59.5 | Low | 29 Ų | 29 | 76.4 Ų | 76.4 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -86.4 | 112.6 | 167.4 | -63.9 | 179.5 | 0 | 0 | 0 | 110 | L315 Y327 F362 L365 L366 T369 | L315-L317 WeakPolarHBondContact CB-O 3.31Å; L315-L317 PolarHBondContact O-N 3.37Å; L317-Y327 HydrophobicContact CB-CD1 3.77Å; L317-Y327 HydrophobicContact CB-CE1 3.98Å; L317-Y327 HydrophobicContact CB-CG 4.47Å; L317-F362 HydrophobicContact CD2-CD2 4.03Å; L317-F362 HydrophobicContact CD2-CE2 3.38Å; L317-F362 HydrophobicContact CD2-CZ 3.72Å; L317-L365 HydrophobicContact CD1-CG 4.26Å; L317-L365 HydrophobicContact CD2-CB 4.29Å; L317-L365 HydrophobicContact CD2-CD2 3.65Å; L317-L365 HydrophobicContact CD2-CG 3.86Å; L317-L365 HydrophobicContact CG-CD2 3.92Å; L317-L365 HydrophobicContact CG-CG 3.99Å; L317-L366 HydrophobicContact CD2-CD2 4.1Å; L317-T369 HydrophobicContact CD1-CG2 3.42Å; L317-T369 VanDerWaalsContact CD1-CG2 3.42Å |
| 318 | T | 69 | Low | 61.4 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | trans | -119.7 | 147.6 | 175.7 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | L315 G320 Y327 E328 | L315-T318 VanDerWaalsContact O-CG2 3.27Å; L315-T318 WeakPolarHBondContact O-CG2 3.46Å; T318-G320 VanDerWaalsContact C-N 3.31Å; T318-G320 PolarHBondContact O-N 3.26Å; T318-Y327 CarbonylContact O-C 3.56Å; T318-Y327 WeakPolarHBondContact O-CA 3.16Å; T318-E328 PolarHBondContact O-N 2.54Å | ||
| 319 | Q | 65.9 | Low | 63.5 | Low | 93 Ų | 93 | 69 Ų | 69 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | trans | -66.5 | -31.6 | 174.3 | 177.9 | 174 | -23.3 | 0 | 0 | 112.7 | C322 Y326 | Q319-C322 WeakPolarHBondContact CG-O 3.5Å; Q319-C322 PolarHBondContact NE2-O 3.19Å; Q319-C322 WeakPolarHBondContact O-CB 3.45Å; Q319-C322 PolarHBondContact O-N 3.29Å; Q319-C322 VanDerWaalsContact O-N 3.09Å; Q319-Y326 WeakPolarHBondContact CA-O 3.47Å; Q319-Y326 WeakPolarHBondContact CG-O 3.27Å | ||
| 320 | G | 70.8 | Confident | 65 | Low | 48 Ų | 48 | 64.6 Ų | 64.6 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -139.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T318 C322 E328 | T318-G320 VanDerWaalsContact C-N 3.31Å; T318-G320 PolarHBondContact O-N 3.26Å; G320-C322 VanDerWaalsContact C-N 3.25Å; G320-C322 PolarHBondContact O-N 2.89Å; G320-E328 WeakPolarHBondContact CA-OE2 3.15Å |
| 321 | A | 71.3 | Confident | 66.7 | Low | 77 Ų | 77 | 61.4 Ų | 61.4 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 4.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | E328 L458 | A321-E328 PolarHBondContact N-OE2 3.37Å; A321-L458 HydrophobicContact CB-CD1 3.96Å; A321-L458 HydrophobicContact CB-CD2 4.22Å |
| 322 | C | 77.8 | Confident | 68.4 | Low | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -75.3 | 155.7 | -175.9 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | Q319 G320 E328 C333 | Q319-C322 WeakPolarHBondContact CG-O 3.5Å; Q319-C322 PolarHBondContact NE2-O 3.19Å; Q319-C322 WeakPolarHBondContact O-CB 3.45Å; Q319-C322 PolarHBondContact O-N 3.29Å; Q319-C322 VanDerWaalsContact O-N 3.09Å; G320-C322 VanDerWaalsContact C-N 3.25Å; G320-C322 PolarHBondContact O-N 2.89Å; C322-E328 VanDerWaalsContact SG-CB 3.6Å; C322-C333 VanDerWaalsContact CA-SG 3.52Å; C322-C333 HydrophobicContact CB-CB 3.8Å; C322-C333 WeakPolarHBondContact CB-SG 3.18Å; C322-C333 WeakPolarHBondContact SG-CA 3.27Å; C322-C333 WeakPolarHBondContact SG-CB 3.24Å; C322-C333 CovalentContact SG-SG 2.03Å; C322-C333 PolarHBondContact SG-SG 2.78Å |
| 323 | K | 72.4 | Confident | 70.2 | Confident | 145 Ų | 145 | 51.9 Ų | 51.9 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 151.1 | 167.9 | -63.3 | 168.9 | -176.4 | 170.3 | 0 | 110.9 | N325 Y326 Y456 | K323-N325 PolarHBondContact O-N 3.13Å; K323-Y326 HydrophobicContact CB-CD2 4.32Å; K323-Y326 WeakPolarHBondContact O-CB 3.5Å; K323-Y326 PolarHBondContact O-N 2.86Å; K323-Y456 VanDerWaalsContact CB-OH 3.3Å; K323-Y456 WeakPolarHBondContact CB-OH 3.49Å; K323-Y456 HydrophobicContact CD-CE1 4.31Å; K323-Y456 VanDerWaalsContact CG-OH 3.3Å; K323-Y456 WeakPolarHBondContact CG-OH 3.38Å; K323-Y456 PolarHBondContact N-OH 2.84Å |
| 324 | S | 70.1 | Confident | 72.1 | Confident | 80 Ų | 80 | 50 Ų | 50 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 132.6 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 113.4 | Y326 | S324-Y326 VanDerWaalsContact C-N 3.3Å; S324-Y326 PolarHBondContact O-N 3.35Å |
| 325 | N | 69.1 | Low | 73.6 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 14.1 | -175.4 | -39.1 | -85.2 | 0 | 0 | 0 | 116.2 | K323 R335 | K323-N325 PolarHBondContact O-N 3.13Å; N325-R335 VanDerWaalsContact O-CD 3.28Å; N325-R335 WeakPolarHBondContact O-CD 3.32Å; N325-R335 WeakPolarHBondContact O-CG 3.43Å |
| 326 | Y | 81.2 | Confident | 74.7 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | trans | -102.9 | 150 | 160.5 | -73.7 | -104.2 | 0 | 0 | 0 | 109.5 | Q319 K323 S324 C333 Y334 R335 Y337 Y456 | Q319-Y326 WeakPolarHBondContact CA-O 3.47Å; Q319-Y326 WeakPolarHBondContact CG-O 3.27Å; K323-Y326 HydrophobicContact CB-CD2 4.32Å; K323-Y326 WeakPolarHBondContact O-CB 3.5Å; K323-Y326 PolarHBondContact O-N 2.86Å; S324-Y326 VanDerWaalsContact C-N 3.3Å; S324-Y326 PolarHBondContact O-N 3.35Å; Y326-C333 HydrophobicContact CD1-CB 4.14Å; Y326-C333 HydrophobicContact CG-CB 4.47Å; Y326-Y334 CarbonylContact C-O 3.43Å; Y326-Y334 WeakPolarHBondContact CA-O 3.47Å; Y326-R335 HydrophobicContact CD1-CB 3.47Å; Y326-R335 VanDerWaalsContact CD1-CB 3.47Å; Y326-R335 HydrophobicContact CD2-CB 4.25Å; Y326-R335 HydrophobicContact CE1-CB 3.49Å; Y326-R335 VanDerWaalsContact CE1-CB 3.49Å; Y326-R335 HydrophobicContact CE2-CB 4.28Å; Y326-R335 HydrophobicContact CG-CB 3.86Å; Y326-Y337 PolarHBondContact OH-OH 3.29Å; Y326-Y456 HydrophobicContact CD1-CD1 4.29Å; Y326-Y456 AromaticContact CD1-CE1 3.63Å; Y326-Y456 HydrophobicContact CD1-CE1 3.63Å; Y326-Y456 HydrophobicContact CD2-CE1 4.2Å; Y326-Y456 AromaticContact CE1-CD1 3.99Å; Y326-Y456 HydrophobicContact CE1-CD1 3.99Å; Y326-Y456 AromaticContact CE1-CE1 3.63Å; Y326-Y456 HydrophobicContact CE1-CE1 3.63Å; Y326-Y456 HydrophobicContact CE2-CE1 4.18Å; Y326-Y456 AromaticContact CG-CE1 3.94Å; Y326-Y456 HydrophobicContact CG-CE1 3.94Å; Y326-Y456 AromaticContact CZ-CE1 3.9Å | ||
| 327 | Y | 81 | Confident | 75.4 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 26% | 0.263 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.5 | 175.6 | -59.2 | -87.7 | 0 | 0 | 0 | 109.9 | L317 T318 C333 Y334 L366 T369 | L317-Y327 HydrophobicContact CB-CD1 3.77Å; L317-Y327 HydrophobicContact CB-CE1 3.98Å; L317-Y327 HydrophobicContact CB-CG 4.47Å; T318-Y327 CarbonylContact O-C 3.56Å; T318-Y327 WeakPolarHBondContact O-CA 3.16Å; Y327-C333 WeakPolarHBondContact O-CA 3.4Å; Y327-Y334 PolarHBondContact N-O 3.06Å; Y327-Y334 PolarHBondContact O-N 2.82Å; Y327-L366 HydrophobicContact CD2-CD2 3.72Å; Y327-L366 HydrophobicContact CG-CD2 4.14Å; Y327-T369 HydrophobicContact CE2-CG2 3.81Å |
| 328 | E | 78.8 | Confident | 75.5 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.8 | 178.7 | -164.7 | -172.2 | 145.1 | 0 | 0 | 111.2 | T318 G320 A321 C322 R332 L458 | T318-E328 PolarHBondContact O-N 2.54Å; G320-E328 WeakPolarHBondContact CA-OE2 3.15Å; A321-E328 PolarHBondContact N-OE2 3.37Å; C322-E328 VanDerWaalsContact SG-CB 3.6Å; E328-R332 WeakPolarHBondContact CA-O 3.43Å; E328-L458 VanDerWaalsContact CD-CD1 3.46Å; E328-L458 HydrophobicContact CG-CD1 3.77Å |
| 329 | Y | 77.9 | Confident | 75.3 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139 | 163.6 | -165.9 | -110.4 | 0 | 0 | 0 | 110.7 | V222 K331 R332 Y334 D358 F362 | V222-Y329 HydrophobicContact CG1-CD2 4.41Å; V222-Y329 HydrophobicContact CG1-CE2 3.64Å; V222-Y329 PolarHBondContact O-OH 3.1Å; Y329-K331 PolarHBondContact O-N 3.49Å; Y329-R332 PolarHBondContact N-O 3.35Å; Y329-R332 WeakPolarHBondContact O-CB 3.22Å; Y329-R332 PolarHBondContact O-N 2.85Å; Y329-R332 VanDerWaalsContact O-O 3.14Å; Y329-Y334 WeakPolarHBondContact O-CE2 3Å; Y329-D358 HydrophobicContact CE1-CB 4.35Å; Y329-D358 WeakPolarHBondContact CE1-OD2 3.25Å; Y329-D358 PolarHBondContact OH-OD2 3.42Å; Y329-F362 HydrophobicContact CD1-CB 3.78Å; Y329-F362 HydrophobicContact CD1-CD1 4.23Å; Y329-F362 HydrophobicContact CD1-CD2 4.19Å; Y329-F362 AromaticContact CD1-CG 3.81Å; Y329-F362 HydrophobicContact CD1-CG 3.81Å; Y329-F362 AromaticContact CD2-CD2 3.56Å; Y329-F362 HydrophobicContact CD2-CD2 3.56Å; Y329-F362 AromaticContact CD2-CE2 3.93Å; Y329-F362 HydrophobicContact CD2-CE2 3.93Å; Y329-F362 HydrophobicContact CD2-CG 4.06Å; Y329-F362 HydrophobicContact CE1-CB 4Å; Y329-F362 HydrophobicContact CE1-CG 4.44Å; Y329-F362 HydrophobicContact CE2-CD2 4.21Å; Y329-F362 HydrophobicContact CG-CB 4.05Å; Y329-F362 HydrophobicContact CG-CD1 4Å; Y329-F362 AromaticContact CG-CD2 3.55Å; Y329-F362 HydrophobicContact CG-CD2 3.55Å; Y329-F362 HydrophobicContact CG-CE1 4.37Å; Y329-F362 AromaticContact CG-CE2 3.95Å; Y329-F362 HydrophobicContact CG-CE2 3.95Å; Y329-F362 AromaticContact CG-CG 3.58Å; Y329-F362 HydrophobicContact CG-CG 3.58Å; Y329-F362 HydrophobicContact CG-CZ 4.36Å |
| 330 | N | 70 | Confident | 75.1 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 42.4 | -176.1 | -65.3 | -15.4 | 0 | 0 | 0 | 113.5 | R226 R332 D358 | R226-N330 PolarHBondContact NH2-OD1 3.09Å; N330-R332 PolarHBondContact O-N 3.06Å; N330-D358 PolarHBondContact ND2-OD2 2.9Å |
| 331 | K | 69.7 | Low | 74.4 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 20.3 | -179.7 | -60.3 | 160.7 | 164.4 | -145.7 | 0 | 115.1 | Y329 L458 Y461 K462 | Y329-K331 PolarHBondContact O-N 3.49Å; K331-L458 WeakPolarHBondContact O-CB 3.49Å; K331-L458 PolarHBondContact O-N 2.7Å; K331-Y461 VanDerWaalsContact CD-CB 3.5Å; K331-Y461 HydrophobicContact CD-CD1 2.63Å; K331-Y461 HydrophobicContact CD-CD2 3.38Å; K331-Y461 HydrophobicContact CD-CE1 3.19Å; K331-Y461 HydrophobicContact CD-CE2 3.84Å; K331-Y461 HydrophobicContact CD-CG 2.74Å; K331-Y461 WeakPolarHBondContact CE-OH 3.47Å; K331-Y461 HydrophobicContact CG-CD1 4.12Å; K331-Y461 HydrophobicContact CG-CD2 3.96Å; K331-Y461 HydrophobicContact CG-CE2 4.44Å; K331-Y461 HydrophobicContact CG-CG 3.79Å; K331-Y461 PolarHBondContact NZ-OH 3.34Å; K331-K462 PolarHBondContact NZ-O 2.97Å |
| 332 | R | 75.4 | Confident | 73.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.3 | 173.6 | -65.5 | 157.9 | 67.3 | 75.2 | -5.6 | 108.5 | E328 Y329 N330 Y334 S353 Y355 E359 D402 H457 | E328-R332 WeakPolarHBondContact CA-O 3.43Å; Y329-R332 PolarHBondContact N-O 3.35Å; Y329-R332 WeakPolarHBondContact O-CB 3.22Å; Y329-R332 PolarHBondContact O-N 2.85Å; Y329-R332 VanDerWaalsContact O-O 3.14Å; N330-R332 PolarHBondContact O-N 3.06Å; R332-Y334 HydrophobicContact CB-CE1 4.37Å; R332-Y334 HydrophobicContact CB-CE2 3.61Å; R332-Y334 VanDerWaalsContact CB-OH 3.27Å; R332-Y334 WeakPolarHBondContact CB-OH 3.17Å; R332-Y334 VanDerWaalsContact CD-OH 3.32Å; R332-Y334 WeakPolarHBondContact CD-OH 3.22Å; R332-Y334 PolarHBondContact NE-OH 3.4Å; R332-Y334 VanDerWaalsContact NE-OH 3.16Å; R332-Y334 WeakPolarHBondContact O-CD2 3.3Å; R332-Y334 WeakPolarHBondContact O-CE2 3.46Å; R332-S353 PolarHBondContact NH2-O 2.99Å; R332-S353 VanDerWaalsContact NH2-O 3.07Å; R332-Y355 VanDerWaalsContact NH2-CE2 3.34Å; R332-E359 IonicContact CZ-OE1 2.89Å; R332-E359 IonicContact NE-OE1 3.24Å; R332-E359 PolarHBondContact NE-OE1 2.87Å; R332-E359 VanDerWaalsContact NE-OE1 3.07Å; R332-E359 IonicContact NE-OE2 3.07Å; R332-E359 IonicContact NH2-OE1 3.7Å; R332-E359 PolarHBondContact NH2-OE1 2.78Å; R332-D402 IonicContact NH1-OD2 3.07Å; R332-H457 PolarHBondContact NH1-CD2 3.02Å; R332-H457 PolarHBondContact NH1-CE1 3.24Å; R332-H457 PolarHBondContact NH1-NE2 3.03Å |
| 333 | C | 82 | Confident | 72.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119 | -177.9 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | C322 Y326 Y327 G455 Y456 L458 | C322-C333 VanDerWaalsContact CA-SG 3.52Å; C322-C333 HydrophobicContact CB-CB 3.8Å; C322-C333 WeakPolarHBondContact CB-SG 3.18Å; C322-C333 WeakPolarHBondContact SG-CA 3.27Å; C322-C333 WeakPolarHBondContact SG-CB 3.24Å; C322-C333 CovalentContact SG-SG 2.03Å; C322-C333 PolarHBondContact SG-SG 2.78Å; Y326-C333 HydrophobicContact CD1-CB 4.14Å; Y326-C333 HydrophobicContact CG-CB 4.47Å; Y327-C333 WeakPolarHBondContact O-CA 3.4Å; C333-G455 CarbonylContact O-C 3.54Å; C333-G455 WeakPolarHBondContact O-CA 3.05Å; C333-Y456 HydrophobicContact CB-CD1 4.1Å; C333-Y456 HydrophobicContact CB-CD2 4.09Å; C333-Y456 HydrophobicContact CB-CE1 3.65Å; C333-Y456 HydrophobicContact CB-CE2 3.66Å; C333-Y456 HydrophobicContact CB-CG 4.28Å; C333-Y456 PolarHBondContact N-O 2.56Å; C333-Y456 PolarHBondContact O-N 3.05Å; C333-Y456 VanDerWaalsContact O-N 3.13Å; C333-Y456 VanDerWaalsContact SG-CE2 3.57Å; C333-L458 VanDerWaalsContact SG-CD2 3.5Å; C333-L458 VanDerWaalsContact SG-CG 3.52Å |
| 334 | Y | 85.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.9 | -175.7 | -48.6 | -100.5 | 0 | 0 | 0 | 111.6 | Y326 Y327 Y329 R332 L352 E359 F362 M363 L366 I453 C454 | Y326-Y334 CarbonylContact C-O 3.43Å; Y326-Y334 WeakPolarHBondContact CA-O 3.47Å; Y327-Y334 PolarHBondContact N-O 3.06Å; Y327-Y334 PolarHBondContact O-N 2.82Å; Y329-Y334 WeakPolarHBondContact O-CE2 3Å; R332-Y334 HydrophobicContact CB-CE1 4.37Å; R332-Y334 HydrophobicContact CB-CE2 3.61Å; R332-Y334 VanDerWaalsContact CB-OH 3.27Å; R332-Y334 WeakPolarHBondContact CB-OH 3.17Å; R332-Y334 VanDerWaalsContact CD-OH 3.32Å; R332-Y334 WeakPolarHBondContact CD-OH 3.22Å; R332-Y334 PolarHBondContact NE-OH 3.4Å; R332-Y334 VanDerWaalsContact NE-OH 3.16Å; R332-Y334 WeakPolarHBondContact O-CD2 3.3Å; R332-Y334 WeakPolarHBondContact O-CE2 3.46Å; Y334-L352 HydrophobicContact CD1-CB 4.46Å; Y334-L352 HydrophobicContact CD1-CD1 3.77Å; Y334-L352 HydrophobicContact CE1-CB 4.36Å; Y334-L352 HydrophobicContact CE1-CD1 3.7Å; Y334-E359 HydrophobicContact CE1-CG 4.16Å; Y334-E359 VanDerWaalsContact CE1-OE1 3.26Å; Y334-E359 WeakPolarHBondContact CE1-OE1 3.47Å; Y334-E359 WeakPolarHBondContact OH-CG 3.48Å; Y334-E359 PolarHBondContact OH-OE1 3.07Å; Y334-F362 HydrophobicContact CD2-CD1 4.11Å; Y334-F362 AromaticContact CD2-CE1 3.5Å; Y334-F362 HydrophobicContact CD2-CE1 3.5Å; Y334-F362 VanDerWaalsContact CD2-CE1 3.5Å; Y334-F362 HydrophobicContact CD2-CZ 4.41Å; Y334-F362 HydrophobicContact CE2-CD1 4.27Å; Y334-F362 HydrophobicContact CE2-CE1 4.01Å; Y334-F362 HydrophobicContact CG-CD1 4.47Å; Y334-F362 AromaticContact CG-CE1 3.98Å; Y334-F362 HydrophobicContact CG-CE1 3.98Å; Y334-M363 HydrophobicContact CD1-CE 3.94Å; Y334-M363 HydrophobicContact CE1-CE 3.62Å; Y334-L366 VanDerWaalsContact CB-CD1 3.44Å; Y334-L366 HydrophobicContact CG-CD1 4.11Å; Y334-I453 HydrophobicContact CD1-CG2 4.29Å; Y334-C454 CarbonylContact C-O 3.49Å; Y334-C454 WeakPolarHBondContact CA-O 3.46Å |
| 335 | R | 84 | Confident | 71.1 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 30% | 0.302 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 133.8 | 171.1 | 178.5 | 173.9 | 179.5 | 168.9 | 4.5 | 110 | N325 Y326 Y337 C454 | N325-R335 VanDerWaalsContact O-CD 3.28Å; N325-R335 WeakPolarHBondContact O-CD 3.32Å; N325-R335 WeakPolarHBondContact O-CG 3.43Å; Y326-R335 HydrophobicContact CD1-CB 3.47Å; Y326-R335 VanDerWaalsContact CD1-CB 3.47Å; Y326-R335 HydrophobicContact CD2-CB 4.25Å; Y326-R335 HydrophobicContact CE1-CB 3.49Å; Y326-R335 VanDerWaalsContact CE1-CB 3.49Å; Y326-R335 HydrophobicContact CE2-CB 4.28Å; Y326-R335 HydrophobicContact CG-CB 3.86Å; R335-Y337 HydrophobicContact CB-CD2 4.34Å; R335-Y337 HydrophobicContact CB-CE2 3.87Å; R335-Y337 HydrophobicContact CG-CD2 3.99Å; R335-Y337 HydrophobicContact CG-CE2 3.64Å; R335-C454 PolarHBondContact N-O 3.35Å; R335-C454 PolarHBondContact O-N 2.66Å |
| 336 | L | 83.6 | Confident | 70.4 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.3 | 170.2 | -171.8 | 63.4 | 0 | 0 | 0 | 109.9 | L367 A370 L373 A378 P451 I453 | L336-L367 HydrophobicContact CD1-CD2 3.96Å; L336-L367 HydrophobicContact CD2-CD2 3.97Å; L336-A370 HydrophobicContact CD2-CB 4.21Å; L336-L373 HydrophobicContact CD2-CD1 3.89Å; L336-A378 HydrophobicContact CD1-CB 3.79Å; L336-P451 HydrophobicContact CD1-CB 3.88Å; L336-P451 HydrophobicContact CG-CB 4.47Å; L336-I453 HydrophobicContact CD1-CG1 3.89Å |
| 337 | Y | 78.8 | Confident | 69.2 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 11% | 0.106 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.8 | 175.3 | -79.3 | -96.6 | 0 | 0 | 0 | 111.2 | Y326 R335 L347 P451 S452 C454 | Y326-Y337 PolarHBondContact OH-OH 3.29Å; R335-Y337 HydrophobicContact CB-CD2 4.34Å; R335-Y337 HydrophobicContact CB-CE2 3.87Å; R335-Y337 HydrophobicContact CG-CD2 3.99Å; R335-Y337 HydrophobicContact CG-CE2 3.64Å; Y337-L347 HydrophobicContact CD1-CB 4.02Å; Y337-L347 HydrophobicContact CE1-CB 3.66Å; Y337-L347 PolarHBondContact OH-O 3.13Å; Y337-P451 WeakPolarHBondContact O-CA 3.46Å; Y337-P451 WeakPolarHBondContact O-CB 3.38Å; Y337-S452 PolarHBondContact N-O 3.49Å; Y337-S452 PolarHBondContact O-N 3.36Å; Y337-S452 VanDerWaalsContact O-N 3.11Å; Y337-C454 HydrophobicContact CD2-CB 3.62Å; Y337-C454 HydrophobicContact CE2-CB 3.79Å |
| 338 | T | 70.5 | Confident | 68.4 | Low | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | trans | -128.1 | 114.5 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | L373 P451 | T338-L373 HydrophobicContact CG2-CD2 3.68Å; T338-L373 HydrophobicContact CG2-CG 4.42Å; T338-P451 HydrophobicContact CG2-CB 4.2Å; T338-P451 HydrophobicContact CG2-CG 4.22Å | ||
| 339 | G | 65.1 | Low | 67.4 | Low | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 175.9 | -169 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I344 | G339-I344 WeakPolarHBondContact O-CD1 3.24Š|
| 340 | N | 61.8 | Low | 66.8 | Low | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | trans | -74.6 | 156.3 | 170.8 | -68.4 | -71.5 | 0 | 0 | 0 | 111.5 | T342 E343 I344 | N340-T342 VanDerWaalsContact C-N 3.3Å; N340-T342 PolarHBondContact O-N 3.22Å; N340-E343 HydrophobicContact CB-CG 4.29Å; N340-E343 VanDerWaalsContact CB-OE2 3.3Å; N340-E343 WeakPolarHBondContact CB-OE2 3.48Å; N340-E343 PolarHBondContact N-OE2 3.03Å; N340-E343 PolarHBondContact ND2-OE2 2.81Å; N340-E343 VanDerWaalsContact ND2-OE2 3.12Å; N340-E343 WeakPolarHBondContact O-CB 3.34Å; N340-E343 PolarHBondContact O-N 3.31Å; N340-I344 WeakPolarHBondContact O-CG1 3.46Å; N340-I344 PolarHBondContact O-N 2.71Å | ||
| 341 | E | 55.9 | Low | 66.9 | Low | 124 Ų | 124 | 60.3 Ų | 60.3 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.6 | -37.9 | -175 | -166.7 | 166.4 | -161.4 | 0 | 0 | 113.3 | I344 V345 | E341-I344 PolarHBondContact O-N 2.95Å; E341-V345 WeakPolarHBondContact O-CG2 3.28Å; E341-V345 PolarHBondContact O-N 3.12Å |
| 342 | T | 55.6 | Low | 67 | Low | 114 Ų | 114 | 58.4 Ų | 58.4 | 70% | 0.699 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.1 | -38.3 | 174 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | N340 S346 | N340-T342 VanDerWaalsContact C-N 3.3Å; N340-T342 PolarHBondContact O-N 3.22Å; T342-S346 PolarHBondContact O-N 3.15Å; T342-S346 PolarHBondContact O-OG 3.23Å |
| 343 | E | 53.2 | Low | 66.8 | Low | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 173.1 | -59.9 | 173.2 | 120.7 | 0 | 0 | 109.9 | N340 V345 S346 L347 | N340-E343 HydrophobicContact CB-CG 4.29Å; N340-E343 VanDerWaalsContact CB-OE2 3.3Å; N340-E343 WeakPolarHBondContact CB-OE2 3.48Å; N340-E343 PolarHBondContact N-OE2 3.03Å; N340-E343 PolarHBondContact ND2-OE2 2.81Å; N340-E343 VanDerWaalsContact ND2-OE2 3.12Å; N340-E343 WeakPolarHBondContact O-CB 3.34Å; N340-E343 PolarHBondContact O-N 3.31Å; E343-V345 PolarHBondContact O-N 3.25Å; E343-S346 PolarHBondContact O-N 3.4Å; E343-S346 PolarHBondContact O-OG 2.86Å; E343-L347 HydrophobicContact CB-CD1 4.46Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 WeakPolarHBondContact O-CD1 3.37Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.39Å |
| 344 | I | 55.3 | Low | 66.3 | Low | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 177.5 | -67.3 | 169.3 | 0 | 0 | 0 | 110.2 | G339 N340 E341 S346 L347 C348 | G339-I344 WeakPolarHBondContact O-CD1 3.24Å; N340-I344 WeakPolarHBondContact O-CG1 3.46Å; N340-I344 PolarHBondContact O-N 2.71Å; E341-I344 PolarHBondContact O-N 2.95Å; I344-S346 PolarHBondContact O-N 2.65Å; I344-L347 PolarHBondContact O-N 2.9Å; I344-L347 VanDerWaalsContact O-N 3.08Å; I344-C348 HydrophobicContact CG2-CB 3.92Å; I344-C348 WeakPolarHBondContact O-CA 3.37Å; I344-C348 WeakPolarHBondContact O-CB 3.35Å; I344-C348 PolarHBondContact O-N 3.45Å |
| 345 | V | 58.3 | Low | 65.2 | Low | 112 Ų | 112 | 61.6 Ų | 61.6 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.5 | -29.9 | 179.2 | 169.7 | 0 | 0 | 0 | 0 | 113 | E341 E343 | E341-V345 WeakPolarHBondContact O-CG2 3.28Å; E341-V345 PolarHBondContact O-N 3.12Å; E343-V345 PolarHBondContact O-N 3.25Å |
| 346 | S | 55.2 | Low | 64.2 | Low | 95 Ų | 95 | 58.8 Ų | 58.8 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -82.8 | -20.6 | 175.5 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | T342 E343 I344 | T342-S346 PolarHBondContact O-N 3.15Å; T342-S346 PolarHBondContact O-OG 3.23Å; E343-S346 PolarHBondContact O-N 3.4Å; E343-S346 PolarHBondContact O-OG 2.86Å; I344-S346 PolarHBondContact O-N 2.65Å |
| 347 | L | 55.7 | Low | 63.4 | Low | 100 Ų | 100 | 60.4 Ų | 60.4 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -108.8 | -21.4 | -174.3 | -69.9 | 168.3 | 0 | 0 | 0 | 114.1 | Y337 E343 I344 | Y337-L347 HydrophobicContact CD1-CB 4.02Å; Y337-L347 HydrophobicContact CE1-CB 3.66Å; Y337-L347 PolarHBondContact OH-O 3.13Å; E343-L347 HydrophobicContact CB-CD1 4.46Å; E343-L347 WeakPolarHBondContact O-CB 3.36Å; E343-L347 WeakPolarHBondContact O-CD1 3.37Å; E343-L347 WeakPolarHBondContact O-CG 3.32Å; E343-L347 PolarHBondContact O-N 3.39Å; I344-L347 PolarHBondContact O-N 2.9Å; I344-L347 VanDerWaalsContact O-N 3.08Å |
| 348 | C | 64.2 | Low | 63 | Low | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 36% | 0.357 | C | S | . | . | trans | -103.2 | 97.6 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | I344 I350 C454 | I344-C348 HydrophobicContact CG2-CB 3.92Å; I344-C348 WeakPolarHBondContact O-CA 3.37Å; I344-C348 WeakPolarHBondContact O-CB 3.35Å; I344-C348 PolarHBondContact O-N 3.45Å; C348-I350 PolarHBondContact O-N 3.03Å; C348-C454 HydrophobicContact CB-CB 3.88Å; C348-C454 WeakPolarHBondContact CB-SG 3.19Å; C348-C454 WeakPolarHBondContact SG-CB 3.23Å; C348-C454 CovalentContact SG-SG 2.02Å; C348-C454 PolarHBondContact SG-SG 2.88Å | ||
| 349 | G | 58.3 | Low | 63.3 | Low | 76 Ų | 76 | 56.2 Ų | 56.2 | 78% | 0.784 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -61.2 | -44.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 350 | I | 65 | Low | 63.9 | Low | 74 Ų | 74 | 54.2 Ų | 54.2 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | trans | -148.9 | 138.9 | 175.9 | -49.6 | 179.8 | 0 | 0 | 0 | 107.9 | C348 E399 N400 C454 G455 | C348-I350 PolarHBondContact O-N 3.03Å; I350-E399 HydrophobicContact CG2-CB 4.02Å; I350-N400 HydrophobicContact CG2-CB 4.13Å; I350-C454 WeakPolarHBondContact O-CA 3.38Å; I350-G455 PolarHBondContact O-N 2.75Å | ||
| 351 | K | 72.2 | Confident | 64.7 | Low | 42 Ų | 42 | 49.7 Ų | 49.7 | 18% | 0.183 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 133.4 | 165.3 | -59.8 | -179.1 | -147 | 71.8 | 0 | 109.6 | W379 G381 E399 I453 | K351-W379 HydrophobicContact CD-CB 4.3Å; K351-G381 VanDerWaalsContact O-CA 3.28Å; K351-G381 WeakPolarHBondContact O-CA 3.38Å; K351-E399 VanDerWaalsContact CB-OE2 3.32Å; K351-E399 WeakPolarHBondContact CB-OE2 3.41Å; K351-E399 WeakPolarHBondContact CG-OE2 3.39Å; K351-E399 PolarHBondContact N-OE2 3.37Å; K351-E399 IonicContact NZ-OE1 2.85Å; K351-E399 PolarHBondContact NZ-OE1 2.8Å; K351-E399 IonicContact NZ-OE2 3.41Å; K351-E399 PolarHBondContact NZ-OE2 3Å; K351-I453 WeakPolarHBondContact CA-O 3.05Å |
| 352 | L | 72.1 | Confident | 66.1 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 137.3 | -179.1 | -64.5 | -171.4 | 0 | 0 | 0 | 111.6 | Y334 M363 G381 I453 | Y334-L352 HydrophobicContact CD1-CB 4.46Å; Y334-L352 HydrophobicContact CD1-CD1 3.77Å; Y334-L352 HydrophobicContact CE1-CB 4.36Å; Y334-L352 HydrophobicContact CE1-CD1 3.7Å; L352-M363 HydrophobicContact CB-CE 4.14Å; L352-G381 VanDerWaalsContact C-N 3.33Å; L352-G381 PolarHBondContact O-N 3.03Å; L352-I453 PolarHBondContact N-O 3.1Å; L352-I453 VanDerWaalsContact N-O 3.09Å |
| 353 | S | 71.6 | Confident | 67.6 | Low | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 140.4 | 163 | 58 | 0 | 0 | 0 | 0 | 110.3 | R332 V382 N400 Y405 | R332-S353 PolarHBondContact NH2-O 2.99Å; R332-S353 VanDerWaalsContact NH2-O 3.07Å; S353-V382 VanDerWaalsContact CB-CG2 3.46Å; S353-N400 PolarHBondContact OG-ND2 2.88Å; S353-N400 PolarHBondContact OG-OD1 3.03Å; S353-Y405 WeakPolarHBondContact CB-OH 3.11Å; S353-Y405 PolarHBondContact O-OH 3.37Å; S353-Y405 PolarHBondContact OG-OH 2.62Å |
| 354 | P | 70.6 | Confident | 69 | Low | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 135 | 170.1 | 30.3 | -32.9 | 0 | 0 | 0 | 109.9 | E359 T360 M363 Y405 I434 M441 | P354-E359 HydrophobicContact CB-CB 4.24Å; P354-E359 HydrophobicContact CB-CG 4.09Å; P354-T360 WeakPolarHBondContact CB-OG1 3.27Å; P354-M363 HydrophobicContact CB-CE 3.96Å; P354-M363 HydrophobicContact CB-SD 3.83Å; P354-M363 HydrophobicContact CG-SD 4.14Å; P354-Y405 WeakPolarHBondContact O-CE1 3.31Å; P354-Y405 PolarHBondContact O-OH 2.94Å; P354-I434 HydrophobicContact CG-CD1 4.4Å; P354-M441 HydrophobicContact CG-SD 4.19Å |
| 355 | Y | 63 | Low | 70.2 | Confident | 72 Ų | 72 | 34.1 Ų | 34.1 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | trans | -85 | -22.4 | 178.4 | -78.9 | -130.2 | 0 | 0 | 0 | 113 | R332 E359 D402 Y405 | R332-Y355 VanDerWaalsContact NH2-CE2 3.34Å; Y355-E359 WeakPolarHBondContact CB-OE2 3.4Å; Y355-E359 PolarHBondContact N-OE2 3.32Å; Y355-D402 HydrophobicContact CE2-CB 4.4Å; Y355-D402 PolarHBondContact OH-OD1 3.23Å; Y355-D402 PolarHBondContact OH-OD2 2.83Å; Y355-Y405 VanDerWaalsContact CD2-OH 3.29Å; Y355-Y405 WeakPolarHBondContact CD2-OH 3.43Å; Y355-Y405 PolarHBondContact N-OH 2.64Å | ||
| 356 | S | 62 | Low | 71.2 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -150.4 | 169.7 | -166.8 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | D358 E359 T360 | S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 WeakPolarHBondContact CB-OD1 3.44Å; S356-D358 PolarHBondContact O-N 2.78Å; S356-D358 PolarHBondContact OG-OD1 3.26Å; S356-D358 PolarHBondContact OG-OD2 3.38Å; S356-E359 PolarHBondContact O-N 3.47Å; S356-E359 PolarHBondContact OG-N 2.83Å; S356-E359 VanDerWaalsContact OG-N 3.15Å; S356-T360 WeakPolarHBondContact O-CB 3.46Å; S356-T360 PolarHBondContact O-N 2.81Å; S356-T360 PolarHBondContact O-OG1 3.44Å |
| 357 | N | 67.9 | Low | 72.3 | Confident | 52 Ų | 52 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.3 | -29.4 | 174.5 | -78.2 | -30.6 | 0 | 0 | 0 | 112.7 | P275 L278 A361 | P275-N357 WeakPolarHBondContact O-CB 3.46Å; P275-N357 PolarHBondContact O-ND2 3.2Å; L278-N357 HydrophobicContact CB-CB 4.25Å; L278-N357 HydrophobicContact CD2-CB 4.35Å; N357-A361 WeakPolarHBondContact O-CB 3.39Å; N357-A361 PolarHBondContact O-N 3.15Å |
| 358 | D | 69 | Low | 72.9 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 11% | 0.112 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.9 | -41.5 | 173.2 | 59.7 | -71.2 | 0 | 0 | 0 | 112.6 | A225 L278 Y329 N330 S356 T360 A361 F362 | A225-D358 HydrophobicContact CB-CB 3.33Å; L278-D358 VanDerWaalsContact CD2-CA 3.49Å; L278-D358 HydrophobicContact CD2-CB 3.53Å; Y329-D358 HydrophobicContact CE1-CB 4.35Å; Y329-D358 WeakPolarHBondContact CE1-OD2 3.25Å; Y329-D358 PolarHBondContact OH-OD2 3.42Å; N330-D358 PolarHBondContact ND2-OD2 2.9Å; S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 WeakPolarHBondContact CB-OD1 3.44Å; S356-D358 PolarHBondContact O-N 2.78Å; S356-D358 PolarHBondContact OG-OD1 3.26Å; S356-D358 PolarHBondContact OG-OD2 3.38Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 3.22Å; D358-A361 PolarHBondContact O-N 2.95Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 2.85Å |
| 359 | E | 77.1 | Confident | 73 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 171.6 | -169.4 | 176.3 | 163.6 | 0 | 0 | 110.9 | R332 Y334 P354 Y355 S356 F362 M363 | R332-E359 IonicContact CZ-OE1 2.89Å; R332-E359 IonicContact NE-OE1 3.24Å; R332-E359 PolarHBondContact NE-OE1 2.87Å; R332-E359 VanDerWaalsContact NE-OE1 3.07Å; R332-E359 IonicContact NE-OE2 3.07Å; R332-E359 IonicContact NH2-OE1 3.7Å; R332-E359 PolarHBondContact NH2-OE1 2.78Å; Y334-E359 HydrophobicContact CE1-CG 4.16Å; Y334-E359 VanDerWaalsContact CE1-OE1 3.26Å; Y334-E359 WeakPolarHBondContact CE1-OE1 3.47Å; Y334-E359 WeakPolarHBondContact OH-CG 3.48Å; Y334-E359 PolarHBondContact OH-OE1 3.07Å; P354-E359 HydrophobicContact CB-CB 4.24Å; P354-E359 HydrophobicContact CB-CG 4.09Å; Y355-E359 WeakPolarHBondContact CB-OE2 3.4Å; Y355-E359 PolarHBondContact N-OE2 3.32Å; S356-E359 PolarHBondContact O-N 3.47Å; S356-E359 PolarHBondContact OG-N 2.83Å; S356-E359 VanDerWaalsContact OG-N 3.15Å; E359-F362 PolarHBondContact O-N 3.31Å; E359-M363 HydrophobicContact CG-CE 4.18Å; E359-M363 WeakPolarHBondContact O-CB 3.06Å; E359-M363 WeakPolarHBondContact O-CG 3.41Å; E359-M363 PolarHBondContact O-N 3.46Å |
| 360 | T | 78.6 | Confident | 73.5 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | P354 S356 D358 R364 I434 M441 | P354-T360 WeakPolarHBondContact CB-OG1 3.27Å; S356-T360 WeakPolarHBondContact O-CB 3.46Å; S356-T360 PolarHBondContact O-N 2.81Å; S356-T360 PolarHBondContact O-OG1 3.44Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 3.22Å; T360-R364 PolarHBondContact O-N 3.37Å; T360-R364 VanDerWaalsContact O-N 3.12Å; T360-I434 HydrophobicContact CG2-CD1 4.17Å; T360-M441 HydrophobicContact CG2-CG 4.07Å; T360-M441 HydrophobicContact CG2-SD 4.07Å |
| 361 | A | 79 | Confident | 73 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | D218 V222 N357 D358 M363 R364 L365 | D218-A361 HydrophobicContact CB-CB 4.23Å; V222-A361 HydrophobicContact CG2-CB 3.73Å; N357-A361 WeakPolarHBondContact O-CB 3.39Å; N357-A361 PolarHBondContact O-N 3.15Å; D358-A361 PolarHBondContact O-N 2.95Å; A361-M363 PolarHBondContact O-N 2.89Å; A361-R364 PolarHBondContact O-N 2.99Å; A361-L365 PolarHBondContact O-N 3.35Å |
| 362 | F | 84.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 173.2 | -177.9 | -92.4 | 0 | 0 | 0 | 111.8 | V222 L317 Y329 Y334 D358 E359 R364 L365 L366 | V222-F362 HydrophobicContact CG1-CD2 4.25Å; V222-F362 HydrophobicContact CG2-CB 3.97Å; V222-F362 VanDerWaalsContact CG2-N 3.35Å; L317-F362 HydrophobicContact CD2-CD2 4.03Å; L317-F362 HydrophobicContact CD2-CE2 3.38Å; L317-F362 HydrophobicContact CD2-CZ 3.72Å; Y329-F362 HydrophobicContact CD1-CB 3.78Å; Y329-F362 HydrophobicContact CD1-CD1 4.23Å; Y329-F362 HydrophobicContact CD1-CD2 4.19Å; Y329-F362 AromaticContact CD1-CG 3.81Å; Y329-F362 HydrophobicContact CD1-CG 3.81Å; Y329-F362 AromaticContact CD2-CD2 3.56Å; Y329-F362 HydrophobicContact CD2-CD2 3.56Å; Y329-F362 AromaticContact CD2-CE2 3.93Å; Y329-F362 HydrophobicContact CD2-CE2 3.93Å; Y329-F362 HydrophobicContact CD2-CG 4.06Å; Y329-F362 HydrophobicContact CE1-CB 4Å; Y329-F362 HydrophobicContact CE1-CG 4.44Å; Y329-F362 HydrophobicContact CE2-CD2 4.21Å; Y329-F362 HydrophobicContact CG-CB 4.05Å; Y329-F362 HydrophobicContact CG-CD1 4Å; Y329-F362 AromaticContact CG-CD2 3.55Å; Y329-F362 HydrophobicContact CG-CD2 3.55Å; Y329-F362 HydrophobicContact CG-CE1 4.37Å; Y329-F362 AromaticContact CG-CE2 3.95Å; Y329-F362 HydrophobicContact CG-CE2 3.95Å; Y329-F362 AromaticContact CG-CG 3.58Å; Y329-F362 HydrophobicContact CG-CG 3.58Å; Y329-F362 HydrophobicContact CG-CZ 4.36Å; Y334-F362 HydrophobicContact CD2-CD1 4.11Å; Y334-F362 AromaticContact CD2-CE1 3.5Å; Y334-F362 HydrophobicContact CD2-CE1 3.5Å; Y334-F362 VanDerWaalsContact CD2-CE1 3.5Å; Y334-F362 HydrophobicContact CD2-CZ 4.41Å; Y334-F362 HydrophobicContact CE2-CD1 4.27Å; Y334-F362 HydrophobicContact CE2-CE1 4.01Å; Y334-F362 HydrophobicContact CG-CD1 4.47Å; Y334-F362 AromaticContact CG-CE1 3.98Å; Y334-F362 HydrophobicContact CG-CE1 3.98Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 2.85Å; E359-F362 PolarHBondContact O-N 3.31Å; F362-R364 VanDerWaalsContact C-N 3.32Å; F362-R364 PolarHBondContact O-N 3.05Å; F362-L365 WeakPolarHBondContact O-CA 3.43Å; F362-L365 VanDerWaalsContact O-CB 3.27Å; F362-L365 WeakPolarHBondContact O-CB 3.45Å; F362-L365 PolarHBondContact O-N 3.05Å; F362-L365 VanDerWaalsContact O-N 3.13Å; F362-L366 HydrophobicContact CD1-CD1 4.15Å; F362-L366 HydrophobicContact CD1-CG 4.21Å; F362-L366 HydrophobicContact CE1-CD1 3.86Å; F362-L366 HydrophobicContact CE1-CD2 3.88Å; F362-L366 HydrophobicContact CE1-CG 3.87Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 4.46Å; F362-L366 WeakPolarHBondContact O-CG 3.35Å; F362-L366 PolarHBondContact O-N 2.76Å |
| 363 | M | 85.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -33.3 | 174.5 | -77.5 | -166.2 | -174.5 | 0 | 0 | 112.9 | Y334 L352 P354 E359 A361 T380 I434 I453 | Y334-M363 HydrophobicContact CD1-CE 3.94Å; Y334-M363 HydrophobicContact CE1-CE 3.62Å; L352-M363 HydrophobicContact CB-CE 4.14Å; P354-M363 HydrophobicContact CB-CE 3.96Å; P354-M363 HydrophobicContact CB-SD 3.83Å; P354-M363 HydrophobicContact CG-SD 4.14Å; E359-M363 HydrophobicContact CG-CE 4.18Å; E359-M363 WeakPolarHBondContact O-CB 3.06Å; E359-M363 WeakPolarHBondContact O-CG 3.41Å; E359-M363 PolarHBondContact O-N 3.46Å; A361-M363 PolarHBondContact O-N 2.89Å; M363-T380 HydrophobicContact SD-CG2 4.18Å; M363-I434 HydrophobicContact CB-CD1 3.48Å; M363-I434 VanDerWaalsContact CB-CD1 3.48Å; M363-I434 HydrophobicContact CG-CD1 4.17Å; M363-I434 HydrophobicContact SD-CD1 3.63Å; M363-I453 HydrophobicContact CB-CD1 3.72Å; M363-I453 HydrophobicContact CE-CG2 4.28Å; M363-I453 HydrophobicContact CG-CD1 3.99Å; M363-I453 HydrophobicContact CG-CG2 4.22Å; M363-I453 HydrophobicContact SD-CD1 4.09Å; M363-I453 HydrophobicContact SD-CG2 4.18Å |
| 364 | R | 82.9 | Confident | 71.3 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -37.5 | 170 | -75.2 | -177 | -72.8 | 123.1 | 10.8 | 112.2 | D218 T360 A361 F362 L366 L367 I434 N435 N438 | D218-R364 VanDerWaalsContact CG-CZ 3.41Å; D218-R364 IonicContact OD1-CZ 2.7Å; D218-R364 IonicContact OD1-NH1 2.74Å; D218-R364 PolarHBondContact OD1-NH1 3.14Å; D218-R364 IonicContact OD1-NH2 2.68Å; D218-R364 PolarHBondContact OD1-NH2 3.21Å; D218-R364 VanDerWaalsContact OD2-CB 3.29Å; D218-R364 WeakPolarHBondContact OD2-CB 3.47Å; D218-R364 IonicContact OD2-CZ 3.99Å; D218-R364 IonicContact OD2-NE 3.81Å; D218-R364 IonicContact OD2-NH1 2.99Å; D218-R364 PolarHBondContact OD2-NH1 3.25Å; D218-R364 IonicContact OD2-NH2 2.77Å; T360-R364 PolarHBondContact O-N 3.37Å; T360-R364 VanDerWaalsContact O-N 3.12Å; A361-R364 PolarHBondContact O-N 2.99Å; F362-R364 VanDerWaalsContact C-N 3.32Å; F362-R364 PolarHBondContact O-N 3.05Å; R364-L366 VanDerWaalsContact C-N 3.32Å; R364-L366 PolarHBondContact O-N 2.95Å; R364-L367 WeakPolarHBondContact O-CB 3.49Å; R364-L367 PolarHBondContact O-N 3.4Å; R364-I434 HydrophobicContact CB-CG2 4.32Å; R364-I434 HydrophobicContact CG-CG2 3.17Å; R364-N435 WeakPolarHBondContact CD-O 3.33Å; R364-N435 WeakPolarHBondContact CG-O 3.48Å; R364-N438 WeakPolarHBondContact CD-O 3.32Å |
| 365 | L | 80.5 | Confident | 71.1 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 173.7 | -162.8 | 65.4 | 0 | 0 | 0 | 112 | F175 A219 I316 L317 A361 F362 L367 Q368 | F175-L365 HydrophobicContact CD2-CD1 4.18Å; F175-L365 HydrophobicContact CE2-CD1 3.52Å; F175-L365 HydrophobicContact CZ-CD1 4.3Å; A219-L365 HydrophobicContact CB-CD1 4.21Å; I316-L365 HydrophobicContact CB-CD2 4.25Å; I316-L365 HydrophobicContact CG2-CD2 3.65Å; L317-L365 HydrophobicContact CD1-CG 4.26Å; L317-L365 HydrophobicContact CD2-CB 4.29Å; L317-L365 HydrophobicContact CD2-CD2 3.65Å; L317-L365 HydrophobicContact CD2-CG 3.86Å; L317-L365 HydrophobicContact CG-CD2 3.92Å; L317-L365 HydrophobicContact CG-CG 3.99Å; A361-L365 PolarHBondContact O-N 3.35Å; F362-L365 WeakPolarHBondContact O-CA 3.43Å; F362-L365 VanDerWaalsContact O-CB 3.27Å; F362-L365 WeakPolarHBondContact O-CB 3.45Å; F362-L365 PolarHBondContact O-N 3.05Å; F362-L365 VanDerWaalsContact O-N 3.13Å; L365-L367 VanDerWaalsContact C-N 3.25Å; L365-L367 PolarHBondContact O-N 3.24Å; L365-Q368 WeakPolarHBondContact O-CB 3.38Å; L365-Q368 WeakPolarHBondContact O-CG 3.41Å; L365-Q368 PolarHBondContact O-N 2.97Å; L365-Q368 VanDerWaalsContact O-N 3.14Å |
| 366 | L | 80.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -28.6 | 175.2 | -68.7 | 173.3 | 0 | 0 | 0 | 113.8 | L317 Y327 Y334 F362 R364 Q368 T369 I453 | L317-L366 HydrophobicContact CD2-CD2 4.1Å; Y327-L366 HydrophobicContact CD2-CD2 3.72Å; Y327-L366 HydrophobicContact CG-CD2 4.14Å; Y334-L366 VanDerWaalsContact CB-CD1 3.44Å; Y334-L366 HydrophobicContact CG-CD1 4.11Å; F362-L366 HydrophobicContact CD1-CD1 4.15Å; F362-L366 HydrophobicContact CD1-CG 4.21Å; F362-L366 HydrophobicContact CE1-CD1 3.86Å; F362-L366 HydrophobicContact CE1-CD2 3.88Å; F362-L366 HydrophobicContact CE1-CG 3.87Å; F362-L366 HydrophobicContact CZ-CD2 4.08Å; F362-L366 HydrophobicContact CZ-CG 4.46Å; F362-L366 WeakPolarHBondContact O-CG 3.35Å; F362-L366 PolarHBondContact O-N 2.76Å; R364-L366 VanDerWaalsContact C-N 3.32Å; R364-L366 PolarHBondContact O-N 2.95Å; L366-Q368 PolarHBondContact O-N 2.69Å; L366-Q368 VanDerWaalsContact O-N 3.08Å; L366-T369 PolarHBondContact O-N 3.43Å; L366-T369 VanDerWaalsContact O-N 3.09Å; L366-T369 PolarHBondContact O-OG1 2.82Å; L366-I453 HydrophobicContact CD1-CG2 4.09Å |
| 367 | L | 78.2 | Confident | 72.2 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -62 | -18.1 | 177.7 | -58.2 | -178.1 | 0 | 0 | 0 | 112.7 | L336 R364 L365 A378 I434 R436 | L336-L367 HydrophobicContact CD1-CD2 3.96Å; L336-L367 HydrophobicContact CD2-CD2 3.97Å; R364-L367 WeakPolarHBondContact O-CB 3.49Å; R364-L367 PolarHBondContact O-N 3.4Å; L365-L367 VanDerWaalsContact C-N 3.25Å; L365-L367 PolarHBondContact O-N 3.24Å; L367-A378 HydrophobicContact CD2-CB 3.56Å; L367-I434 HydrophobicContact CD1-CG2 4.27Å; L367-R436 HydrophobicContact CB-CB 4.41Å; L367-R436 HydrophobicContact CB-CG 4.3Å; L367-R436 HydrophobicContact CD1-CB 3.79Å; L367-R436 HydrophobicContact CD1-CG 4.48Å |
| 368 | Q | 67.2 | Low | 73 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -81 | -17.6 | 179.3 | -53.4 | 175.7 | 20.8 | 0 | 0 | 112.8 | F160 F175 L365 L366 A370 | F160-Q368 HydrophobicContact CE2-CB 4.24Å; F160-Q368 WeakPolarHBondContact CE2-O 3.19Å; F160-Q368 HydrophobicContact CZ-CB 4.12Å; F160-Q368 WeakPolarHBondContact CZ-O 3.25Å; F175-Q368 VanDerWaalsContact CE2-OE1 3.25Å; L365-Q368 WeakPolarHBondContact O-CB 3.38Å; L365-Q368 WeakPolarHBondContact O-CG 3.41Å; L365-Q368 PolarHBondContact O-N 2.97Å; L365-Q368 VanDerWaalsContact O-N 3.14Å; L366-Q368 PolarHBondContact O-N 2.69Å; L366-Q368 VanDerWaalsContact O-N 3.08Å; Q368-A370 PolarHBondContact O-N 3.18Å |
| 369 | T | 67 | Low | 73.8 | Confident | 51 Ų | 51 | 34.6 Ų | 34.6 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -73.2 | -8.5 | -178.6 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | L317 Y327 L366 | L317-T369 HydrophobicContact CD1-CG2 3.42Å; L317-T369 VanDerWaalsContact CD1-CG2 3.42Å; Y327-T369 HydrophobicContact CE2-CG2 3.81Å; L366-T369 PolarHBondContact O-N 3.43Å; L366-T369 VanDerWaalsContact O-N 3.09Å; L366-T369 PolarHBondContact O-OG1 2.82Å |
| 370 | A | 67.5 | Low | 74.1 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 21% | 0.207 | 19% | 0.194 | C | C | . | . | trans | -124.4 | 72.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L336 Q368 N372 L373 | L336-A370 HydrophobicContact CD2-CB 4.21Å; Q368-A370 PolarHBondContact O-N 3.18Å; A370-N372 PolarHBondContact O-N 2.98Å; A370-L373 HydrophobicContact CB-CD1 3.89Å; A370-L373 HydrophobicContact CB-CG 3.94Å; A370-L373 WeakPolarHBondContact O-CB 3.44Å; A370-L373 VanDerWaalsContact O-CG 3.27Å; A370-L373 WeakPolarHBondContact O-CG 3.04Å; A370-L373 PolarHBondContact O-N 2.82Å | ||
| 371 | P | 55.4 | Low | 73.9 | Confident | 90 Ų | 90 | 34.3 Ų | 34.3 | 58% | 0.584 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12.9 | -172.8 | 24.8 | -35.3 | 0 | 0 | 0 | 115.1 | F160 L373 | F160-P371 HydrophobicContact CD2-CB 4.17Å; P371-L373 VanDerWaalsContact C-N 3.27Å; P371-L373 PolarHBondContact O-N 3.15Å |
| 372 | N | 56.4 | Low | 73.8 | Confident | 159 Ų | 159 | 34.9 Ų | 34.9 | 85% | 0.85 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.3 | 174 | -69.8 | -9.1 | 0 | 0 | 0 | 113.7 | A370 T374 | A370-N372 PolarHBondContact O-N 2.98Å; N372-T374 PolarHBondContact O-N 3.32Å |
| 373 | L | 63.2 | Low | 73.1 | Confident | 31 Ų | 31 | 36 Ų | 36 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | trans | -62.2 | 121.5 | 176.3 | -85.1 | 169.7 | 0 | 0 | 0 | 112.1 | L336 T338 A370 P371 V375 P451 | L336-L373 HydrophobicContact CD2-CD1 3.89Å; T338-L373 HydrophobicContact CG2-CD2 3.68Å; T338-L373 HydrophobicContact CG2-CG 4.42Å; A370-L373 HydrophobicContact CB-CD1 3.89Å; A370-L373 HydrophobicContact CB-CG 3.94Å; A370-L373 WeakPolarHBondContact O-CB 3.44Å; A370-L373 VanDerWaalsContact O-CG 3.27Å; A370-L373 WeakPolarHBondContact O-CG 3.04Å; A370-L373 PolarHBondContact O-N 2.82Å; P371-L373 VanDerWaalsContact C-N 3.27Å; P371-L373 PolarHBondContact O-N 3.15Å; L373-V375 VanDerWaalsContact C-N 3.31Å; L373-P451 HydrophobicContact CD2-CB 4.43Å; L373-P451 HydrophobicContact CD2-CG 3.43Å; L373-P451 VanDerWaalsContact CD2-CG 3.43Å | ||
| 374 | T | 60.1 | Low | 72.2 | Confident | 129 Ų | 129 | 36.8 Ų | 36.8 | 79% | 0.791 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -81.3 | -10.1 | 172.7 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | N372 | N372-T374 PolarHBondContact O-N 3.32Š|
| 375 | V | 67.3 | Low | 71 | Confident | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -132.6 | 127.7 | -176.5 | -169 | 0 | 0 | 0 | 0 | 109.7 | L373 R377 L450 | L373-V375 VanDerWaalsContact C-N 3.31Å; V375-R377 HydrophobicContact CG1-CB 4.38Å; V375-R377 PolarHBondContact O-N 3.18Å; V375-L450 HydrophobicContact CG1-CD2 3.68Å |
| 376 | D | 69.4 | Low | 69.7 | Low | 46 Ų | 46 | 41.6 Ų | 41.6 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -84.3 | 28.6 | -169.3 | -44.1 | -73.7 | 0 | 0 | 0 | 113.5 | R157 R436 | R157-D376 IonicContact NH2-OD1 3.53Å; D376-R436 HydrophobicContact CB-CB 4.44Å; D376-R436 VanDerWaalsContact CG-NH2 3.29Å; D376-R436 PolarHBondContact O-N 3.32Å; D376-R436 IonicContact OD1-CZ 2.9Å; D376-R436 IonicContact OD1-NH1 2.71Å; D376-R436 PolarHBondContact OD1-NH1 2.94Å; D376-R436 IonicContact OD1-NH2 3.85Å; D376-R436 PolarHBondContact OD1-NH2 3.16Å |
| 377 | R | 78.7 | Confident | 68.1 | Low | 62 Ų | 62 | 43.7 Ų | 43.7 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155 | -168.7 | -62.4 | 170.3 | 169 | -76 | -6.4 | 112.6 | V375 S433 I434 N435 D442 L450 P451 | V375-R377 HydrophobicContact CG1-CB 4.38Å; V375-R377 PolarHBondContact O-N 3.18Å; R377-S433 PolarHBondContact NH1-OG 3.2Å; R377-I434 CarbonylContact C-O 3.1Å; R377-I434 WeakPolarHBondContact CA-O 3.28Å; R377-N435 HydrophobicContact CG-CB 4.45Å; R377-N435 PolarHBondContact NH2-ND2 3.03Å; R377-D442 IonicContact CZ-OD2 3.99Å; R377-D442 VanDerWaalsContact NH1-CG 3.33Å; R377-D442 IonicContact NH1-OD2 2.77Å; R377-D442 PolarHBondContact NH1-OD2 3.04Å; R377-D442 IonicContact NH2-OD2 3.1Å; R377-D442 PolarHBondContact NH2-OD2 2.98Å; R377-L450 HydrophobicContact CB-CD1 4.03Å; R377-L450 HydrophobicContact CB-CD2 4.17Å; R377-P451 WeakPolarHBondContact O-CD 3.34Å |
| 378 | A | 83.3 | Confident | 66.5 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L336 L367 S433 I434 P451 I453 | L336-A378 HydrophobicContact CD1-CB 3.79Å; L367-A378 HydrophobicContact CD2-CB 3.56Å; A378-S433 CarbonylContact O-C 3.45Å; A378-S433 VanDerWaalsContact O-CA 3.26Å; A378-S433 WeakPolarHBondContact O-CA 3.48Å; A378-I434 PolarHBondContact N-O 3.08Å; A378-I434 PolarHBondContact O-N 2.93Å; A378-P451 CarbonylContact C-O 3.59Å; A378-P451 VanDerWaalsContact CA-O 3.23Å; A378-P451 WeakPolarHBondContact CA-O 3.49Å; A378-P451 HydrophobicContact CB-CB 4.03Å; A378-P451 WeakPolarHBondContact CB-O 3.42Å; A378-I453 HydrophobicContact CB-CD1 4.28Å; A378-I453 HydrophobicContact CB-CG1 3.96Å |
| 379 | W | 86 | Confident | 65.4 | Low | 16 Ų | 16 | 52.2 Ų | 52.2 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.6 | 172.4 | -67.1 | 132.5 | 0 | 0 | 0 | 112.8 | K351 C431 L444 P445 C446 L448 L450 P451 I453 | K351-W379 HydrophobicContact CD-CB 4.3Å; W379-C431 HydrophobicContact CD2-CB 4.15Å; W379-C431 HydrophobicContact CE3-CB 3.52Å; W379-C431 HydrophobicContact CH2-CB 3.88Å; W379-C431 HydrophobicContact CZ2-CB 4.44Å; W379-C431 HydrophobicContact CZ3-CB 3.39Å; W379-C431 WeakPolarHBondContact CZ3-O 3.26Å; W379-L444 HydrophobicContact CH2-CB 3.7Å; W379-L444 HydrophobicContact CZ3-CB 3.95Å; W379-P445 VanDerWaalsContact CH2-O 3.31Å; W379-P445 WeakPolarHBondContact CH2-O 3.23Å; W379-P445 WeakPolarHBondContact CZ2-O 3.31Å; W379-C446 WeakPolarHBondContact CZ2-O 3.46Å; W379-L448 HydrophobicContact CH2-CB 4.44Å; W379-L448 HydrophobicContact CZ2-CB 3.9Å; W379-L448 WeakPolarHBondContact CZ2-O 3.33Å; W379-L448 PolarHBondContact NE1-O 2.87Å; W379-L450 HydrophobicContact CD2-CB 4.33Å; W379-L450 HydrophobicContact CD2-CD1 4.01Å; W379-L450 HydrophobicContact CE3-CD1 4.16Å; W379-L450 HydrophobicContact CG-CB 4.23Å; W379-L450 HydrophobicContact CH2-CD1 4.1Å; W379-L450 HydrophobicContact CZ2-CD1 3.95Å; W379-L450 HydrophobicContact CZ2-CG 4.25Å; W379-L450 HydrophobicContact CZ3-CD1 4.19Å; W379-P451 PolarHBondContact N-O 2.92Å; W379-I453 PolarHBondContact O-N 2.99Å |
| 380 | T | 83.1 | Confident | 64.1 | Low | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 177 | 166.3 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | M363 V382 V432 I434 | M363-T380 HydrophobicContact SD-CG2 4.18Å; T380-V382 PolarHBondContact O-N 2.99Å; T380-V382 PolarHBondContact OG1-N 3.12Å; T380-V432 PolarHBondContact N-O 3.19Å; T380-V432 VanDerWaalsContact N-O 3.11Å; T380-V432 PolarHBondContact OG1-O 3.19Å; T380-I434 HydrophobicContact CG2-CB 4.41Å; T380-I434 HydrophobicContact CG2-CD1 3.46Å; T380-I434 VanDerWaalsContact CG2-CD1 3.46Å; T380-I434 HydrophobicContact CG2-CG1 3.63Å |
| 381 | G | 75.2 | Confident | 62.8 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 4.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K351 L352 T398 E399 | K351-G381 VanDerWaalsContact O-CA 3.28Å; K351-G381 WeakPolarHBondContact O-CA 3.38Å; L352-G381 VanDerWaalsContact C-N 3.33Å; L352-G381 PolarHBondContact O-N 3.03Å; G381-T398 CarbonylContact O-C 3.5Å; G381-T398 WeakPolarHBondContact O-CA 3.21Å; G381-E399 PolarHBondContact O-N 3.49Å |
| 382 | V | 76.9 | Confident | 62.1 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.3 | -177.7 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | S353 T380 T398 V432 | S353-V382 VanDerWaalsContact CB-CG2 3.46Å; T380-V382 PolarHBondContact O-N 2.99Å; T380-V382 PolarHBondContact OG1-N 3.12Å; V382-T398 HydrophobicContact CG2-CG2 4.49Å; V382-V432 HydrophobicContact CB-CB 4.02Å; V382-V432 HydrophobicContact CB-CG2 3.78Å; V382-V432 HydrophobicContact CG1-CG2 3.73Å; V382-V432 PolarHBondContact O-N 2.97Å |
| 383 | S | 70.8 | Confident | 61.4 | Low | 26 Ų | 26 | 58.2 Ų | 58.2 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.4 | 170.6 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | Y396 K397 | S383-Y396 CarbonylContact O-C 3.56Å; S383-Y396 WeakPolarHBondContact O-CA 3.45Å; S383-K397 PolarHBondContact N-O 3.34Å; S383-K397 PolarHBondContact O-N 2.83Å; S383-K397 PolarHBondContact OG-O 2.77Å |
| 384 | L | 65.3 | Low | 60.8 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.6 | -178.8 | -70.8 | 164.8 | 0 | 0 | 0 | 108.8 | W394 F430 V432 V443 | L384-W394 HydrophobicContact CB-CE3 4.14Å; L384-W394 HydrophobicContact CB-CZ3 3.97Å; L384-F430 HydrophobicContact CB-CB 4.26Å; L384-F430 PolarHBondContact N-O 2.69Å; L384-F430 PolarHBondContact O-N 3.46Å; L384-V432 HydrophobicContact CD1-CG2 3.85Å; L384-V432 HydrophobicContact CG-CG2 4.41Å; L384-V443 HydrophobicContact CD1-CG1 3.86Å; L384-V443 HydrophobicContact CD1-CG2 3.91Å |
| 385 | M | 57.7 | Low | 60.4 | Low | 84 Ų | 84 | 56.9 Ų | 56.9 | 41% | 0.414 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.1 | 175.6 | -76.9 | -177.5 | 54.5 | 0 | 0 | 109.8 | F395 R429 | M385-F395 PolarHBondContact N-O 2.83Å; M385-F395 PolarHBondContact O-N 2.89Å; M385-R429 HydrophobicContact CG-CG 3.79Å; M385-R429 HydrophobicContact SD-CG 4.34Å; M385-R429 PolarHBondContact SD-NE 3.1Å |
| 386 | Y | 53.4 | Low | 60.2 | Low | 35 Ų | 35 | 59.4 Ų | 59.4 | 14% | 0.137 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.6 | 171 | -175.9 | -127.9 | 0 | 0 | 0 | 109.5 | L388 W394 L422 N428 | Y386-L388 HydrophobicContact CD1-CD2 3.96Å; Y386-L388 HydrophobicContact CD1-CG 4.16Å; Y386-L388 HydrophobicContact CE1-CD2 3.68Å; Y386-L388 HydrophobicContact CE1-CG 4.28Å; Y386-L388 PolarHBondContact O-N 2.87Å; Y386-W394 AromaticContact CD2-CD1 3.49Å; Y386-W394 VanDerWaalsContact CD2-CD1 3.49Å; Y386-W394 AromaticContact CD2-CD2 3.7Å; Y386-W394 HydrophobicContact CD2-CD2 3.7Å; Y386-W394 AromaticContact CD2-CE2 3.28Å; Y386-W394 AromaticContact CD2-CG 3.86Å; Y386-W394 HydrophobicContact CD2-CG 3.86Å; Y386-W394 AromaticContact CD2-CZ2 3.8Å; Y386-W394 HydrophobicContact CD2-CZ2 3.8Å; Y386-W394 AromaticContact CD2-NE1 3.16Å; Y386-W394 AromaticContact CE2-CD1 3.77Å; Y386-W394 AromaticContact CE2-CE2 3.92Å; Y386-W394 HydrophobicContact CE2-CZ2 4.45Å; Y386-W394 AromaticContact CE2-NE1 3.37Å; Y386-W394 HydrophobicContact CG-CD2 4.25Å; Y386-W394 AromaticContact CG-CE2 3.82Å; Y386-W394 HydrophobicContact CG-CH2 4.34Å; Y386-W394 AromaticContact CG-CZ2 3.88Å; Y386-W394 HydrophobicContact CG-CZ2 3.88Å; Y386-L422 HydrophobicContact CD1-CD1 4.33Å; Y386-L422 HydrophobicContact CD1-CD2 3.61Å; Y386-L422 HydrophobicContact CE1-CD1 3.97Å; Y386-L422 HydrophobicContact CE1-CD2 3.97Å; Y386-L422 HydrophobicContact CE1-CG 4.49Å; Y386-L422 HydrophobicContact CG-CD2 4.33Å; Y386-N428 PolarHBondContact N-O 2.59Å |
| 387 | D | 48.7 | Very low | 59.7 | Low | 44 Ų | 44 | 63.3 Ų | 63.3 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | trans | -91.8 | 99.5 | 171.3 | -164.6 | -2.1 | 0 | 0 | 0 | 110.6 | N389 L390 F395 | D387-N389 PolarHBondContact O-N 3.4Å; D387-N389 WeakPolarHBondContact OD1-CB 3.33Å; D387-N389 PolarHBondContact OD1-N 3.04Å; D387-L390 HydrophobicContact CB-CB 4.3Å; D387-L390 HydrophobicContact CB-CD1 4.24Å; D387-L390 HydrophobicContact CB-CG 4.38Å; D387-L390 PolarHBondContact O-N 3.31Å; D387-F395 HydrophobicContact CB-CE2 4.47Å | ||
| 388 | L | 43.5 | Very low | 58.9 | Low | 91 Ų | 91 | 60.8 Ų | 60.8 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -27.9 | 171.9 | -71.8 | 164.1 | 0 | 0 | 0 | 112.8 | Y386 N428 | Y386-L388 HydrophobicContact CD1-CD2 3.96Å; Y386-L388 HydrophobicContact CD1-CG 4.16Å; Y386-L388 HydrophobicContact CE1-CD2 3.68Å; Y386-L388 HydrophobicContact CE1-CG 4.28Å; Y386-L388 PolarHBondContact O-N 2.87Å; L388-N428 VanDerWaalsContact CD1-OD1 3.28Å; L388-N428 WeakPolarHBondContact CD1-OD1 3.4Å |
| 389 | N | 44.7 | Very low | 57.9 | Low | 124 Ų | 124 | 64.8 Ų | 64.8 | 66% | 0.663 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26.8 | -176.8 | -61.6 | 7.2 | 0 | 0 | 0 | 112.7 | D387 | D387-N389 PolarHBondContact O-N 3.4Å; D387-N389 WeakPolarHBondContact OD1-CB 3.33Å; D387-N389 PolarHBondContact OD1-N 3.04Å |
| 390 | L | 40.4 | Very low | 56.3 | Low | 91 Ų | 91 | 65.1 Ų | 65.1 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.6 | -177.6 | -69.7 | 173.5 | 0 | 0 | 0 | 114 | D387 S392 F395 | D387-L390 HydrophobicContact CB-CB 4.3Å; D387-L390 HydrophobicContact CB-CD1 4.24Å; D387-L390 HydrophobicContact CB-CG 4.38Å; D387-L390 PolarHBondContact O-N 3.31Å; L390-S392 PolarHBondContact O-N 3.44Å; L390-F395 HydrophobicContact CD1-CE2 3.89Å; L390-F395 HydrophobicContact CD1-CZ 3.98Å |
| 391 | K | 38.9 | Very low | 54.6 | Low | 148 Ų | 148 | 70.9 Ų | 70.9 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.4 | 39.2 | 170.4 | -67.9 | -171.7 | 176.3 | 177.9 | 0 | 115.6 | K1942 | K391-K1942 PolarHBondContact O-NZ 2.99Š|
| 392 | S | 41.7 | Very low | 53.4 | Low | 81 Ų | 81 | 72.7 Ų | 72.7 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173 | -37.4 | 162.4 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | L390 W394 | L390-S392 PolarHBondContact O-N 3.44Å; S392-W394 PolarHBondContact O-N 2.84Å |
| 393 | K | 40.6 | Very low | 51.8 | Low | 132 Ų | 132 | 76.9 Ų | 76.9 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | trans | -77.5 | 112 | -172.5 | -162.5 | 161.9 | -171.3 | 163.2 | 0 | 112.3 | F395 | K393-F395 HydrophobicContact CB-CE2 4.48Å; K393-F395 HydrophobicContact CD-CE1 4.32Å; K393-F395 HydrophobicContact CD-CZ 4.01Å; K393-F395 HydrophobicContact CG-CE1 4.33Å; K393-F395 HydrophobicContact CG-CE2 4.21Å; K393-F395 HydrophobicContact CG-CZ 3.91Å | ||
| 394 | W | 50.6 | Low | 50.3 | Low | 33 Ų | 33 | 82.3 Ų | 82.3 | 13% | 0.125 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153.9 | 167 | -76.4 | 71 | 0 | 0 | 0 | 110.7 | L384 Y386 S392 Y413 Y417 L422 F430 | L384-W394 HydrophobicContact CB-CE3 4.14Å; L384-W394 HydrophobicContact CB-CZ3 3.97Å; Y386-W394 AromaticContact CD2-CD1 3.49Å; Y386-W394 VanDerWaalsContact CD2-CD1 3.49Å; Y386-W394 AromaticContact CD2-CD2 3.7Å; Y386-W394 HydrophobicContact CD2-CD2 3.7Å; Y386-W394 AromaticContact CD2-CE2 3.28Å; Y386-W394 AromaticContact CD2-CG 3.86Å; Y386-W394 HydrophobicContact CD2-CG 3.86Å; Y386-W394 AromaticContact CD2-CZ2 3.8Å; Y386-W394 HydrophobicContact CD2-CZ2 3.8Å; Y386-W394 AromaticContact CD2-NE1 3.16Å; Y386-W394 AromaticContact CE2-CD1 3.77Å; Y386-W394 AromaticContact CE2-CE2 3.92Å; Y386-W394 HydrophobicContact CE2-CZ2 4.45Å; Y386-W394 AromaticContact CE2-NE1 3.37Å; Y386-W394 HydrophobicContact CG-CD2 4.25Å; Y386-W394 AromaticContact CG-CE2 3.82Å; Y386-W394 HydrophobicContact CG-CH2 4.34Å; Y386-W394 AromaticContact CG-CZ2 3.88Å; Y386-W394 HydrophobicContact CG-CZ2 3.88Å; S392-W394 PolarHBondContact O-N 2.84Å; W394-Y413 HydrophobicContact CB-CE2 4.17Å; W394-Y413 HydrophobicContact CD2-CE2 4.26Å; W394-Y413 HydrophobicContact CG-CE2 4.05Å; W394-Y413 PolarHBondContact NE1-OH 2.89Å; W394-Y417 AromaticContact CE2-CD2 3.75Å; W394-Y417 AromaticContact CE2-CE2 3.79Å; W394-Y417 AromaticContact CZ2-CD2 3.57Å; W394-Y417 HydrophobicContact CZ2-CD2 3.57Å; W394-Y417 AromaticContact CZ2-CE2 3.67Å; W394-Y417 HydrophobicContact CZ2-CE2 3.67Å; W394-Y417 AromaticContact NE1-CD2 3.55Å; W394-Y417 AromaticContact NE1-CE2 3.34Å; W394-Y417 VanDerWaalsContact NE1-CE2 3.34Å; W394-L422 HydrophobicContact CZ2-CD1 4.36Å; W394-F430 AromaticContact CH2-CD2 3.97Å; W394-F430 HydrophobicContact CH2-CD2 3.97Å; W394-F430 HydrophobicContact CH2-CE2 4.19Å; W394-F430 HydrophobicContact CZ3-CD2 4.02Å |
| 395 | F | 53.1 | Low | 49.4 | Very low | 99 Ų | 99 | 82 Ų | 82 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | 172.5 | -57.3 | -92.7 | 0 | 0 | 0 | 109.2 | M385 D387 L390 K393 | M385-F395 PolarHBondContact N-O 2.83Å; M385-F395 PolarHBondContact O-N 2.89Å; D387-F395 HydrophobicContact CB-CE2 4.47Å; L390-F395 HydrophobicContact CD1-CE2 3.89Å; L390-F395 HydrophobicContact CD1-CZ 3.98Å; K393-F395 HydrophobicContact CB-CE2 4.48Å; K393-F395 HydrophobicContact CD-CE1 4.32Å; K393-F395 HydrophobicContact CD-CZ 4.01Å; K393-F395 HydrophobicContact CG-CE1 4.33Å; K393-F395 HydrophobicContact CG-CE2 4.21Å; K393-F395 HydrophobicContact CG-CZ 3.91Å |
| 396 | Y | 62.5 | Low | 48.7 | Very low | 104 Ų | 104 | 79.6 Ų | 79.6 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.5 | 168.1 | 65.9 | -90.3 | 0 | 0 | 0 | 110.1 | S383 I409 | S383-Y396 CarbonylContact O-C 3.56Å; S383-Y396 WeakPolarHBondContact O-CA 3.45Å; Y396-I409 HydrophobicContact CD2-CD1 4.15Å; Y396-I409 HydrophobicContact CE2-CD1 4.23Å; Y396-I409 HydrophobicContact CG-CD1 4.42Å |
| 397 | K | 58.1 | Low | 48.1 | Very low | 128 Ų | 128 | 80.3 Ų | 80.3 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 129.9 | 168.2 | -179.1 | 173.4 | -178.7 | 177.5 | 0 | 110.3 | S383 | S383-K397 PolarHBondContact N-O 3.34Å; S383-K397 PolarHBondContact O-N 2.83Å; S383-K397 PolarHBondContact OG-O 2.77Å |
| 398 | T | 63.2 | Low | 47.9 | Very low | 8 Ų | 8 | 80.8 Ų | 80.8 | 5% | 0.049 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.1 | 172.1 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | G381 V382 N400 N401 D402 Y405 | G381-T398 CarbonylContact O-C 3.5Å; G381-T398 WeakPolarHBondContact O-CA 3.21Å; V382-T398 HydrophobicContact CG2-CG2 4.49Å; T398-N400 PolarHBondContact O-N 2.8Å; T398-N401 PolarHBondContact O-N 3.37Å; T398-N401 VanDerWaalsContact O-N 3.08Å; T398-N401 WeakPolarHBondContact OG1-CA 3.44Å; T398-N401 PolarHBondContact OG1-N 3.42Å; T398-D402 PolarHBondContact OG1-N 3.41Å; T398-D402 PolarHBondContact OG1-O 3.29Å; T398-Y405 HydrophobicContact CG2-CD2 4.19Å; T398-Y405 HydrophobicContact CG2-CE2 3.95Å |
| 399 | E | 60.6 | Low | 48 | Very low | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27 | 176.7 | -74.3 | -174 | -169.1 | 0 | 0 | 112.3 | I350 K351 G381 | I350-E399 HydrophobicContact CG2-CB 4.02Å; K351-E399 VanDerWaalsContact CB-OE2 3.32Å; K351-E399 WeakPolarHBondContact CB-OE2 3.41Å; K351-E399 WeakPolarHBondContact CG-OE2 3.39Å; K351-E399 PolarHBondContact N-OE2 3.37Å; K351-E399 IonicContact NZ-OE1 2.85Å; K351-E399 PolarHBondContact NZ-OE1 2.8Å; K351-E399 IonicContact NZ-OE2 3.41Å; K351-E399 PolarHBondContact NZ-OE2 3Å; G381-E399 PolarHBondContact O-N 3.49Å |
| 400 | N | 54.2 | Low | 48.1 | Very low | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7 | 172.1 | 42.1 | -36.7 | 0 | 0 | 0 | 114.3 | I350 S353 T398 D402 | I350-N400 HydrophobicContact CG2-CB 4.13Å; S353-N400 PolarHBondContact OG-ND2 2.88Å; S353-N400 PolarHBondContact OG-OD1 3.03Å; T398-N400 PolarHBondContact O-N 2.8Å; N400-D402 PolarHBondContact ND2-OD2 3.42Å; N400-D402 PolarHBondContact O-N 3.24Å |
| 401 | N | 47.5 | Very low | 48.3 | Very low | 124 Ų | 124 | 75 Ų | 75 | 66% | 0.663 | 37% | 0.374 | S | S | * | . | trans | 59.1 | 19.1 | -178.7 | -153.7 | 87.1 | 0 | 0 | 0 | 115.4 | T398 | T398-N401 PolarHBondContact O-N 3.37Å; T398-N401 VanDerWaalsContact O-N 3.08Å; T398-N401 WeakPolarHBondContact OG1-CA 3.44Å; T398-N401 PolarHBondContact OG1-N 3.42Å | ||
| 402 | D | 48.6 | Very low | 48.6 | Very low | 37 Ų | 37 | 70.4 Ų | 70.4 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | trans | -73.4 | 140.6 | 173.5 | -72.6 | -44.1 | 0 | 0 | 0 | 111.4 | R332 Y355 T398 N400 Y405 H457 | R332-D402 IonicContact NH1-OD2 3.07Å; Y355-D402 HydrophobicContact CE2-CB 4.4Å; Y355-D402 PolarHBondContact OH-OD1 3.23Å; Y355-D402 PolarHBondContact OH-OD2 2.83Å; T398-D402 PolarHBondContact OG1-N 3.41Å; T398-D402 PolarHBondContact OG1-O 3.29Å; N400-D402 PolarHBondContact ND2-OD2 3.42Å; N400-D402 PolarHBondContact O-N 3.24Å; D402-Y405 HydrophobicContact CB-CE2 4.24Å; D402-H457 IonicContact OD2-CE1 3.71Å; D402-H457 IonicContact OD2-NE2 3.98Å | ||
| 403 | S | 43 | Very low | 48.8 | Very low | 101 Ų | 101 | 69.8 Ų | 69.8 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | trans | -110.8 | -7.9 | -168.5 | 56.3 | 0 | 0 | 0 | 0 | 116 | Y405 | S403-Y405 PolarHBondContact O-N 3.41Š| ||
| 404 | Y | 40.8 | Very low | 49.1 | Very low | 140 Ų | 140 | 67.3 Ų | 67.3 | 55% | 0.549 | 33% | 0.332 | S | S | . | . | trans | -76.7 | 49.7 | -164.5 | -145.2 | -86 | 0 | 0 | 0 | 114.3 | D573 | Y404-D573 HydrophobicContact CE1-CB 4.12Å; Y404-D573 HydrophobicContact CE2-CB 4.39Å; Y404-D573 PolarHBondContact OH-OD2 3.23Å | ||
| 405 | Y | 45.4 | Very low | 48.8 | Very low | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | trans | -129.2 | -8.2 | -153.1 | -88.5 | -63.2 | 0 | 0 | 0 | 117.2 | S353 P354 Y355 T398 D402 S403 S407 I409 | S353-Y405 WeakPolarHBondContact CB-OH 3.11Å; S353-Y405 PolarHBondContact O-OH 3.37Å; S353-Y405 PolarHBondContact OG-OH 2.62Å; P354-Y405 WeakPolarHBondContact O-CE1 3.31Å; P354-Y405 PolarHBondContact O-OH 2.94Å; Y355-Y405 VanDerWaalsContact CD2-OH 3.29Å; Y355-Y405 WeakPolarHBondContact CD2-OH 3.43Å; Y355-Y405 PolarHBondContact N-OH 2.64Å; T398-Y405 HydrophobicContact CG2-CD2 4.19Å; T398-Y405 HydrophobicContact CG2-CE2 3.95Å; D402-Y405 HydrophobicContact CB-CE2 4.24Å; S403-Y405 PolarHBondContact O-N 3.41Å; Y405-S407 PolarHBondContact O-N 2.8Å; Y405-I409 HydrophobicContact CD1-CD1 3.78Å; Y405-I409 HydrophobicContact CD1-CG1 3.9Å; Y405-I409 HydrophobicContact CG-CD1 3.91Å; Y405-I409 HydrophobicContact CG-CG1 4.38Å; Y405-I409 WeakPolarHBondContact O-CB 3.39Å; Y405-I409 WeakPolarHBondContact O-CG1 3.46Å; Y405-I409 PolarHBondContact O-N 2.92Å; Y405-I409 VanDerWaalsContact O-N 3.09Å | ||
| 406 | A | 42.8 | Very low | 48.4 | Very low | 34 Ų | 34 | 67.6 Ų | 67.6 | 28% | 0.281 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -55.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H410 | A406-H410 WeakPolarHBondContact O-CB 3.42Å; A406-H410 PolarHBondContact O-N 2.95Å |
| 407 | S | 41.5 | Very low | 47.5 | Very low | 49 Ų | 49 | 67.2 Ų | 67.2 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.9 | -50.4 | -172.6 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | Y405 I409 H410 D411 V572 | Y405-S407 PolarHBondContact O-N 2.8Å; S407-I409 PolarHBondContact O-N 3.01Å; S407-H410 WeakPolarHBondContact O-CB 3.23Å; S407-H410 PolarHBondContact O-N 3.33Å; S407-D411 PolarHBondContact O-N 3.45Å; S407-V572 PolarHBondContact OG-O 2.85Å |
| 408 | M | 44.1 | Very low | 47 | Very low | 54 Ų | 54 | 68.5 Ų | 68.5 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.9 | -31 | -179.3 | -171.7 | 170.2 | -75.8 | 0 | 0 | 113.2 | F412 | M408-F412 WeakPolarHBondContact O-CB 3.29Å; M408-F412 PolarHBondContact O-N 2.79Å |
| 409 | I | 46.5 | Very low | 46.1 | Very low | 32 Ų | 32 | 74 Ų | 74 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 170.6 | -67.3 | -170.4 | 0 | 0 | 0 | 110.5 | Y396 Y405 S407 D411 F412 Y413 | Y396-I409 HydrophobicContact CD2-CD1 4.15Å; Y396-I409 HydrophobicContact CE2-CD1 4.23Å; Y396-I409 HydrophobicContact CG-CD1 4.42Å; Y405-I409 HydrophobicContact CD1-CD1 3.78Å; Y405-I409 HydrophobicContact CD1-CG1 3.9Å; Y405-I409 HydrophobicContact CG-CD1 3.91Å; Y405-I409 HydrophobicContact CG-CG1 4.38Å; Y405-I409 WeakPolarHBondContact O-CB 3.39Å; Y405-I409 WeakPolarHBondContact O-CG1 3.46Å; Y405-I409 PolarHBondContact O-N 2.92Å; Y405-I409 VanDerWaalsContact O-N 3.09Å; S407-I409 PolarHBondContact O-N 3.01Å; I409-D411 PolarHBondContact O-N 2.93Å; I409-F412 PolarHBondContact O-N 3.41Å; I409-Y413 WeakPolarHBondContact O-CB 3.21Å; I409-Y413 PolarHBondContact O-N 3.05Å |
| 410 | H | 46 | Very low | 45.3 | Very low | 83 Ų | 83 | 71.3 Ų | 71.3 | 38% | 0.384 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.2 | -53.7 | 178.8 | 173.7 | -89.2 | 0 | 0 | 0 | 112.2 | A406 S407 F412 Y413 I414 | A406-H410 WeakPolarHBondContact O-CB 3.42Å; A406-H410 PolarHBondContact O-N 2.95Å; S407-H410 WeakPolarHBondContact O-CB 3.23Å; S407-H410 PolarHBondContact O-N 3.33Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 2.83Å; H410-Y413 PolarHBondContact O-N 2.79Å; H410-I414 PolarHBondContact O-N 3.08Å |
| 411 | D | 44.3 | Very low | 45 | Very low | 70 Ų | 70 | 75.4 Ų | 75.4 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | -177.8 | -72.3 | -0.5 | 0 | 0 | 0 | 112.5 | S407 I409 F415 | S407-D411 PolarHBondContact O-N 3.45Å; I409-D411 PolarHBondContact O-N 2.93Å; D411-F415 WeakPolarHBondContact O-CD2 3.26Å; D411-F415 WeakPolarHBondContact O-CE2 3.3Å |
| 412 | F | 45.8 | Very low | 45.1 | Very low | 51 Ų | 51 | 71.8 Ų | 71.8 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 175 | 176.6 | -91.6 | 0 | 0 | 0 | 112.7 | M408 I409 H410 I414 F415 I440 M441 V443 | M408-F412 WeakPolarHBondContact O-CB 3.29Å; M408-F412 PolarHBondContact O-N 2.79Å; I409-F412 PolarHBondContact O-N 3.41Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 2.83Å; F412-I414 PolarHBondContact O-N 3.49Å; F412-F415 PolarHBondContact O-N 3.36Å; F412-I440 HydrophobicContact CE2-CG2 3.86Å; F412-I440 HydrophobicContact CZ-CG2 4.46Å; F412-M441 HydrophobicContact CD2-CE 4.23Å; F412-M441 HydrophobicContact CE2-CB 3.97Å; F412-M441 HydrophobicContact CE2-CE 4.2Å; F412-M441 HydrophobicContact CZ-CB 3.78Å; F412-M441 HydrophobicContact CZ-CE 4.45Å; F412-M441 WeakPolarHBondContact CZ-O 3.29Å; F412-V443 HydrophobicContact CE1-CG2 4.41Å |
| 413 | Y | 46.5 | Very low | 45.1 | Very low | 69 Ų | 69 | 74.5 Ų | 74.5 | 27% | 0.271 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | -167 | 167.7 | -93.9 | 0 | 0 | 0 | 113.5 | W394 I409 H410 F415 S416 | W394-Y413 HydrophobicContact CB-CE2 4.17Å; W394-Y413 HydrophobicContact CD2-CE2 4.26Å; W394-Y413 HydrophobicContact CG-CE2 4.05Å; W394-Y413 PolarHBondContact NE1-OH 2.89Å; I409-Y413 WeakPolarHBondContact O-CB 3.21Å; I409-Y413 PolarHBondContact O-N 3.05Å; H410-Y413 PolarHBondContact O-N 2.79Å; Y413-F415 PolarHBondContact O-N 3.19Å; Y413-F415 VanDerWaalsContact O-N 3.16Å; Y413-S416 PolarHBondContact O-N 3.26Å |
| 414 | I | 45.1 | Very low | 45.1 | Very low | 80 Ų | 80 | 75.4 Ų | 75.4 | 41% | 0.41 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.6 | -31 | 176.5 | -71 | 174.2 | 0 | 0 | 0 | 111.9 | H410 F412 | H410-I414 PolarHBondContact O-N 3.08Å; F412-I414 PolarHBondContact O-N 3.49Å |
| 415 | F | 45.9 | Very low | 45.1 | Very low | 112 Ų | 112 | 70.6 Ų | 70.6 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -88.9 | -39.3 | -175.3 | -58.7 | -61.6 | 0 | 0 | 0 | 113.9 | N95 D411 F412 Y413 | N95-F415 HydrophobicContact CB-CD1 4.28Å; N95-F415 HydrophobicContact CB-CE1 4.3Å; N95-F415 WeakPolarHBondContact ND2-CD1 3.26Å; D411-F415 WeakPolarHBondContact O-CD2 3.26Å; D411-F415 WeakPolarHBondContact O-CE2 3.3Å; F412-F415 PolarHBondContact O-N 3.36Å; Y413-F415 PolarHBondContact O-N 3.19Å; Y413-F415 VanDerWaalsContact O-N 3.16Å |
| 416 | S | 44.7 | Very low | 45.3 | Very low | 25 Ų | 25 | 75.7 Ų | 75.7 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.5 | -32.8 | -174.4 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | Y413 K418 N419 | Y413-S416 PolarHBondContact O-N 3.26Å; S416-K418 VanDerWaalsContact C-N 3.29Å; S416-K418 PolarHBondContact O-N 3.23Å; S416-N419 PolarHBondContact O-N 3.49Å |
| 417 | Y | 43.6 | Very low | 45.5 | Very low | 96 Ų | 96 | 76.8 Ų | 76.8 | 38% | 0.376 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -57.1 | -39.1 | -174.4 | 174.1 | -104.2 | 0 | 0 | 0 | 113.3 | W394 N419 V420 L422 | W394-Y417 AromaticContact CE2-CD2 3.75Å; W394-Y417 AromaticContact CE2-CE2 3.79Å; W394-Y417 AromaticContact CZ2-CD2 3.57Å; W394-Y417 HydrophobicContact CZ2-CD2 3.57Å; W394-Y417 AromaticContact CZ2-CE2 3.67Å; W394-Y417 HydrophobicContact CZ2-CE2 3.67Å; W394-Y417 AromaticContact NE1-CD2 3.55Å; W394-Y417 AromaticContact NE1-CE2 3.34Å; W394-Y417 VanDerWaalsContact NE1-CE2 3.34Å; Y417-N419 PolarHBondContact O-N 2.8Å; Y417-N419 VanDerWaalsContact O-N 3.07Å; Y417-V420 PolarHBondContact O-N 2.81Å; Y417-V420 VanDerWaalsContact O-N 3.13Å; Y417-L422 HydrophobicContact CE2-CD1 3.72Å |
| 418 | K | 47.1 | Very low | 46.3 | Very low | 156 Ų | 156 | 77.8 Ų | 77.8 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -61.4 | -20.6 | -175.5 | -67.3 | -177.7 | -179.3 | 176.3 | 0 | 114.5 | S416 | S416-K418 VanDerWaalsContact C-N 3.29Å; S416-K418 PolarHBondContact O-N 3.23Å |
| 419 | N | 43.1 | Very low | 47.2 | Very low | 123 Ų | 123 | 82.6 Ų | 82.6 | 66% | 0.658 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -100.4 | -9.3 | -179.1 | -72.5 | -20.8 | 0 | 0 | 0 | 113.8 | S416 Y417 N421 | S416-N419 PolarHBondContact O-N 3.49Å; Y417-N419 PolarHBondContact O-N 2.8Å; Y417-N419 VanDerWaalsContact O-N 3.07Å; N419-N421 PolarHBondContact O-N 3.39Å |
| 420 | V | 45.7 | Very low | 48.4 | Very low | 28 Ų | 28 | 81.3 Ų | 81.3 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | trans | -83.5 | 96.3 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | Y417 L422 F430 V443 | Y417-V420 PolarHBondContact O-N 2.81Å; Y417-V420 VanDerWaalsContact O-N 3.13Å; V420-L422 VanDerWaalsContact C-N 3.31Å; V420-L422 HydrophobicContact CG1-CD2 4.47Å; V420-L422 HydrophobicContact CG1-CG 4.26Å; V420-L422 PolarHBondContact O-N 3.43Å; V420-F430 HydrophobicContact CG1-CD1 4.27Å; V420-F430 HydrophobicContact CG1-CE1 3.64Å; V420-F430 HydrophobicContact CG1-CZ 3.8Å; V420-V443 HydrophobicContact CG2-CB 4.48Å; V420-V443 HydrophobicContact CG2-CG1 4.33Å | ||
| 421 | N | 47.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 78.2 Ų | 78.2 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | trans | -75.1 | 82.2 | -178.9 | -166.7 | 1.9 | 0 | 0 | 0 | 111.8 | N419 S423 T424 | N419-N421 PolarHBondContact O-N 3.39Å; N421-S423 PolarHBondContact O-N 2.83Å; N421-S423 PolarHBondContact OD1-OG 3.49Å; N421-T424 PolarHBondContact O-N 2.86Å | ||
| 422 | L | 49.5 | Very low | 51.6 | Low | 47 Ų | 47 | 75.3 Ų | 75.3 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10.2 | -177.2 | -72.3 | 149.5 | 0 | 0 | 0 | 114.8 | Y386 W394 Y417 V420 T424 F430 | Y386-L422 HydrophobicContact CD1-CD1 4.33Å; Y386-L422 HydrophobicContact CD1-CD2 3.61Å; Y386-L422 HydrophobicContact CE1-CD1 3.97Å; Y386-L422 HydrophobicContact CE1-CD2 3.97Å; Y386-L422 HydrophobicContact CE1-CG 4.49Å; Y386-L422 HydrophobicContact CG-CD2 4.33Å; W394-L422 HydrophobicContact CZ2-CD1 4.36Å; Y417-L422 HydrophobicContact CE2-CD1 3.72Å; V420-L422 VanDerWaalsContact C-N 3.31Å; V420-L422 HydrophobicContact CG1-CD2 4.47Å; V420-L422 HydrophobicContact CG1-CG 4.26Å; V420-L422 PolarHBondContact O-N 3.43Å; L422-T424 VanDerWaalsContact C-N 3.33Å; L422-T424 PolarHBondContact O-N 3.16Å; L422-F430 HydrophobicContact CD2-CE2 3.98Å; L422-F430 HydrophobicContact CD2-CZ 4.01Å |
| 423 | S | 48 | Very low | 53.2 | Low | 94 Ų | 94 | 72.9 Ų | 72.9 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.3 | -179.4 | 64 | 0 | 0 | 0 | 0 | 115 | N421 | N421-S423 PolarHBondContact O-N 2.83Å; N421-S423 PolarHBondContact OD1-OG 3.49Å |
| 424 | T | 43.2 | Very low | 54.9 | Low | 120 Ų | 120 | 69.7 Ų | 69.7 | 74% | 0.736 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -126.2 | 1.7 | -174.3 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | N421 L422 | N421-T424 PolarHBondContact O-N 2.86Å; L422-T424 VanDerWaalsContact C-N 3.33Å; L422-T424 PolarHBondContact O-N 3.16Å |
| 425 | S | 40.2 | Very low | 56.4 | Low | 40 Ų | 40 | 66.8 Ų | 66.8 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | trans | -97.2 | 124.1 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | N427 | S425-N427 VanDerWaalsContact C-N 3.25Å; S425-N427 PolarHBondContact O-N 3.14Å; S425-N427 PolarHBondContact OG-N 3.15Å; S425-N427 VanDerWaalsContact OG-N 3.15Å; S425-N427 PolarHBondContact OG-O 3.44Å | ||
| 426 | S | 49.1 | Very low | 57.4 | Low | 117 Ų | 117 | 63.4 Ų | 63.4 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | trans | -77.9 | -6.9 | 168.6 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 427 | N | 48.1 | Very low | 58.1 | Low | 57 Ų | 57 | 65.3 Ų | 65.3 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | trans | -93.7 | 120.3 | -180 | -79.1 | -34.9 | 0 | 0 | 0 | 111.8 | S425 R429 P445 S447 | S425-N427 VanDerWaalsContact C-N 3.25Å; S425-N427 PolarHBondContact O-N 3.14Å; S425-N427 PolarHBondContact OG-N 3.15Å; S425-N427 VanDerWaalsContact OG-N 3.15Å; S425-N427 PolarHBondContact OG-O 3.44Å; N427-R429 VanDerWaalsContact C-N 3.31Å; N427-P445 HydrophobicContact CB-CB 4.33Å; N427-S447 PolarHBondContact ND2-OG 2.83Å | ||
| 428 | N | 58.5 | Low | 59 | Low | 69 Ų | 69 | 62.9 Ų | 62.9 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -83.3 | -3.3 | 171 | -64 | -33.1 | 0 | 0 | 0 | 113.7 | Y386 L388 | Y386-N428 PolarHBondContact N-O 2.59Å; L388-N428 VanDerWaalsContact CD1-OD1 3.28Å; L388-N428 WeakPolarHBondContact CD1-OD1 3.4Å |
| 429 | R | 62.3 | Low | 59.6 | Low | 156 Ų | 156 | 58.4 Ų | 58.4 | 59% | 0.589 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.4 | 179.3 | -84 | 179.7 | 174 | 145.2 | 1.1 | 110.5 | M385 N427 C446 | M385-R429 HydrophobicContact CG-CG 3.79Å; M385-R429 HydrophobicContact SD-CG 4.34Å; M385-R429 PolarHBondContact SD-NE 3.1Å; N427-R429 VanDerWaalsContact C-N 3.31Å; R429-C446 PolarHBondContact O-N 3.35Å |
| 430 | F | 72.4 | Confident | 60.3 | Low | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 150.2 | 170.5 | -58.7 | -91.8 | 0 | 0 | 0 | 109 | L384 W394 V420 L422 V443 L444 P445 C446 | L384-F430 HydrophobicContact CB-CB 4.26Å; L384-F430 PolarHBondContact N-O 2.69Å; L384-F430 PolarHBondContact O-N 3.46Å; W394-F430 AromaticContact CH2-CD2 3.97Å; W394-F430 HydrophobicContact CH2-CD2 3.97Å; W394-F430 HydrophobicContact CH2-CE2 4.19Å; W394-F430 HydrophobicContact CZ3-CD2 4.02Å; V420-F430 HydrophobicContact CG1-CD1 4.27Å; V420-F430 HydrophobicContact CG1-CE1 3.64Å; V420-F430 HydrophobicContact CG1-CZ 3.8Å; L422-F430 HydrophobicContact CD2-CE2 3.98Å; L422-F430 HydrophobicContact CD2-CZ 4.01Å; F430-V443 HydrophobicContact CB-CG1 3.69Å; F430-V443 HydrophobicContact CD1-CG1 4.36Å; F430-V443 HydrophobicContact CG-CG1 4.22Å; F430-L444 CarbonylContact C-O 3.6Å; F430-L444 VanDerWaalsContact CA-O 3.32Å; F430-L444 WeakPolarHBondContact CA-O 3.2Å; F430-P445 HydrophobicContact CD1-CG 4.38Å; F430-P445 HydrophobicContact CE1-CG 4.26Å; F430-C446 PolarHBondContact O-SG 3.01Å; F430-C446 VanDerWaalsContact O-SG 3.42Å |
| 431 | C | 76.6 | Confident | 61.3 | Low | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.3 | 179.3 | -75.5 | 0 | 0 | 0 | 0 | 108.2 | W379 S433 L444 C446 | W379-C431 HydrophobicContact CD2-CB 4.15Å; W379-C431 HydrophobicContact CE3-CB 3.52Å; W379-C431 HydrophobicContact CH2-CB 3.88Å; W379-C431 HydrophobicContact CZ2-CB 4.44Å; W379-C431 HydrophobicContact CZ3-CB 3.39Å; W379-C431 WeakPolarHBondContact CZ3-O 3.26Å; C431-S433 PolarHBondContact O-N 3.03Å; C431-L444 PolarHBondContact N-O 2.94Å; C431-L444 PolarHBondContact O-N 2.9Å; C431-C446 HydrophobicContact CB-CB 4Å; C431-C446 WeakPolarHBondContact CB-SG 3.19Å; C431-C446 PolarHBondContact N-SG 3.42Å; C431-C446 WeakPolarHBondContact SG-CB 3.43Å; C431-C446 CovalentContact SG-SG 2.05Å; C431-C446 PolarHBondContact SG-SG 2.95Å |
| 432 | V | 80.7 | Confident | 62.2 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 115.1 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | T380 V382 L384 M441 | T380-V432 PolarHBondContact N-O 3.19Å; T380-V432 VanDerWaalsContact N-O 3.11Å; T380-V432 PolarHBondContact OG1-O 3.19Å; V382-V432 HydrophobicContact CB-CB 4.02Å; V382-V432 HydrophobicContact CB-CG2 3.78Å; V382-V432 HydrophobicContact CG1-CG2 3.73Å; V382-V432 PolarHBondContact O-N 2.97Å; L384-V432 HydrophobicContact CD1-CG2 3.85Å; L384-V432 HydrophobicContact CG-CG2 4.41Å; V432-M441 HydrophobicContact CG1-CB 3.72Å; V432-M441 HydrophobicContact CG1-CG 4.27Å; V432-M441 HydrophobicContact CG1-SD 3.75Å |
| 433 | S | 79.9 | Confident | 63.2 | Low | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.2 | 174 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | R377 A378 C431 M441 D442 L444 | R377-S433 PolarHBondContact NH1-OG 3.2Å; A378-S433 CarbonylContact O-C 3.45Å; A378-S433 VanDerWaalsContact O-CA 3.26Å; A378-S433 WeakPolarHBondContact O-CA 3.48Å; C431-S433 PolarHBondContact O-N 3.03Å; S433-M441 CarbonylContact O-C 3.6Å; S433-M441 WeakPolarHBondContact O-CA 3.34Å; S433-D442 PolarHBondContact N-O 2.6Å; S433-D442 PolarHBondContact O-N 3.43Å; S433-D442 PolarHBondContact OG-O 3.2Å; S433-L444 WeakPolarHBondContact OG-CD1 3.48Å |
| 434 | I | 80.4 | Confident | 64.4 | Low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.3 | 168.7 | -77.2 | 177.5 | 0 | 0 | 0 | 108.5 | P354 T360 M363 R364 L367 R377 A378 T380 M441 | P354-I434 HydrophobicContact CG-CD1 4.4Å; T360-I434 HydrophobicContact CG2-CD1 4.17Å; M363-I434 HydrophobicContact CB-CD1 3.48Å; M363-I434 VanDerWaalsContact CB-CD1 3.48Å; M363-I434 HydrophobicContact CG-CD1 4.17Å; M363-I434 HydrophobicContact SD-CD1 3.63Å; R364-I434 HydrophobicContact CB-CG2 4.32Å; R364-I434 HydrophobicContact CG-CG2 3.17Å; L367-I434 HydrophobicContact CD1-CG2 4.27Å; R377-I434 CarbonylContact C-O 3.1Å; R377-I434 WeakPolarHBondContact CA-O 3.28Å; A378-I434 PolarHBondContact N-O 3.08Å; A378-I434 PolarHBondContact O-N 2.93Å; T380-I434 HydrophobicContact CG2-CB 4.41Å; T380-I434 HydrophobicContact CG2-CD1 3.46Å; T380-I434 VanDerWaalsContact CG2-CD1 3.46Å; T380-I434 HydrophobicContact CG2-CG1 3.63Å; I434-M441 HydrophobicContact CG1-CG 4.01Å; I434-M441 HydrophobicContact CG1-SD 4.19Å |
| 435 | N | 77.2 | Confident | 65.9 | Low | 20 Ų | 20 | 44.9 Ų | 44.9 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.5 | -175.2 | -179.4 | -17.3 | 0 | 0 | 0 | 109 | R364 R377 D437 N438 D442 | R364-N435 WeakPolarHBondContact CD-O 3.33Å; R364-N435 WeakPolarHBondContact CG-O 3.48Å; R377-N435 HydrophobicContact CG-CB 4.45Å; R377-N435 PolarHBondContact NH2-ND2 3.03Å; N435-D437 VanDerWaalsContact C-N 3.32Å; N435-D437 PolarHBondContact O-N 3.16Å; N435-D437 PolarHBondContact OD1-N 3.34Å; N435-D437 VanDerWaalsContact OD1-N 3.1Å; N435-N438 HydrophobicContact CB-CB 4.14Å; N435-N438 VanDerWaalsContact O-O 3.12Å; N435-D442 PolarHBondContact ND2-OD2 2.9Å; N435-D442 VanDerWaalsContact ND2-OD2 3.12Å |
| 436 | R | 68.2 | Low | 67.4 | Low | 41 Ų | 41 | 44.5 Ų | 44.5 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -66.9 | -32.8 | -177.3 | -169.5 | -167.5 | 63.3 | -127.3 | -16.7 | 112.8 | M215 L367 D376 | M215-R436 HydrophobicContact CE-CG 4.11Å; L367-R436 HydrophobicContact CB-CB 4.41Å; L367-R436 HydrophobicContact CB-CG 4.3Å; L367-R436 HydrophobicContact CD1-CB 3.79Å; L367-R436 HydrophobicContact CD1-CG 4.48Å; D376-R436 HydrophobicContact CB-CB 4.44Å; D376-R436 VanDerWaalsContact CG-NH2 3.29Å; D376-R436 PolarHBondContact O-N 3.32Å; D376-R436 IonicContact OD1-CZ 2.9Å; D376-R436 IonicContact OD1-NH1 2.71Å; D376-R436 PolarHBondContact OD1-NH1 2.94Å; D376-R436 IonicContact OD1-NH2 3.85Å; D376-R436 PolarHBondContact OD1-NH2 3.16Å |
| 437 | D | 58.5 | Low | 68.3 | Low | 64 Ų | 64 | 42.5 Ų | 42.5 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -106.6 | 2.4 | -166.9 | -58.6 | -8 | 0 | 0 | 0 | 112.5 | M215 N435 | M215-D437 WeakPolarHBondContact CE-OD1 3.33Å; N435-D437 VanDerWaalsContact C-N 3.32Å; N435-D437 PolarHBondContact O-N 3.16Å; N435-D437 PolarHBondContact OD1-N 3.34Å; N435-D437 VanDerWaalsContact OD1-N 3.1Å |
| 438 | N | 62.7 | Low | 69.4 | Low | 46 Ų | 46 | 43.6 Ų | 43.6 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | trans | -132.5 | 139 | -179 | -176.4 | 14.9 | 0 | 0 | 0 | 110.3 | R364 N435 I440 | R364-N438 WeakPolarHBondContact CD-O 3.32Å; N435-N438 HydrophobicContact CB-CB 4.14Å; N435-N438 VanDerWaalsContact O-O 3.12Å; N438-I440 VanDerWaalsContact C-N 3.34Å; N438-I440 PolarHBondContact ND2-O 3.15Å; N438-I440 PolarHBondContact OD1-N 3.01Å; N438-I440 VanDerWaalsContact OD1-N 3.15Å | ||
| 439 | T | 60.1 | Low | 70.1 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -75.7 | -23.7 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 440 | I | 56.7 | Low | 70.9 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 35% | 0.349 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -85.8 | 130.5 | 179.8 | -52.6 | -176.2 | 0 | 0 | 0 | 109.3 | R99 F412 N438 | R99-I440 VanDerWaalsContact NH2-CD1 3.26Å; F412-I440 HydrophobicContact CE2-CG2 3.86Å; F412-I440 HydrophobicContact CZ-CG2 4.46Å; N438-I440 VanDerWaalsContact C-N 3.34Å; N438-I440 PolarHBondContact ND2-O 3.15Å; N438-I440 PolarHBondContact OD1-N 3.01Å; N438-I440 VanDerWaalsContact OD1-N 3.15Å |
| 441 | M | 66.7 | Low | 71.4 | Confident | 34 Ų | 34 | 42 Ų | 42 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | trans | -67.2 | 145.5 | 170.9 | -60.8 | -176.3 | -80.1 | 0 | 0 | 110.5 | P354 T360 F412 V432 S433 I434 | P354-M441 HydrophobicContact CG-SD 4.19Å; T360-M441 HydrophobicContact CG2-CG 4.07Å; T360-M441 HydrophobicContact CG2-SD 4.07Å; F412-M441 HydrophobicContact CD2-CE 4.23Å; F412-M441 HydrophobicContact CE2-CB 3.97Å; F412-M441 HydrophobicContact CE2-CE 4.2Å; F412-M441 HydrophobicContact CZ-CB 3.78Å; F412-M441 HydrophobicContact CZ-CE 4.45Å; F412-M441 WeakPolarHBondContact CZ-O 3.29Å; V432-M441 HydrophobicContact CG1-CB 3.72Å; V432-M441 HydrophobicContact CG1-CG 4.27Å; V432-M441 HydrophobicContact CG1-SD 3.75Å; S433-M441 CarbonylContact O-C 3.6Å; S433-M441 WeakPolarHBondContact O-CA 3.34Å; I434-M441 HydrophobicContact CG1-CG 4.01Å; I434-M441 HydrophobicContact CG1-SD 4.19Å | ||
| 442 | D | 66.7 | Low | 71.8 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.4 | -177 | -74.5 | -53.7 | 0 | 0 | 0 | 110.4 | R377 S433 N435 L444 | R377-D442 IonicContact CZ-OD2 3.99Å; R377-D442 VanDerWaalsContact NH1-CG 3.33Å; R377-D442 IonicContact NH1-OD2 2.77Å; R377-D442 PolarHBondContact NH1-OD2 3.04Å; R377-D442 IonicContact NH2-OD2 3.1Å; R377-D442 PolarHBondContact NH2-OD2 2.98Å; S433-D442 PolarHBondContact N-O 2.6Å; S433-D442 PolarHBondContact O-N 3.43Å; S433-D442 PolarHBondContact OG-O 3.2Å; N435-D442 PolarHBondContact ND2-OD2 2.9Å; N435-D442 VanDerWaalsContact ND2-OD2 3.12Å; D442-L444 HydrophobicContact CB-CG 4.25Å; D442-L444 PolarHBondContact O-N 2.04Å |
| 443 | V | 71.2 | Confident | 72 | Confident | 22 Ų | 22 | 41 Ų | 41 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 109.9 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | L384 F412 V420 F430 | L384-V443 HydrophobicContact CD1-CG1 3.86Å; L384-V443 HydrophobicContact CD1-CG2 3.91Å; F412-V443 HydrophobicContact CE1-CG2 4.41Å; V420-V443 HydrophobicContact CG2-CB 4.48Å; V420-V443 HydrophobicContact CG2-CG1 4.33Å; F430-V443 HydrophobicContact CB-CG1 3.69Å; F430-V443 HydrophobicContact CD1-CG1 4.36Å; F430-V443 HydrophobicContact CG-CG1 4.22Å |
| 444 | L | 73.8 | Confident | 72.1 | Confident | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.5 | -174.7 | -65.1 | -179.6 | 0 | 0 | 0 | 111.3 | W379 F430 C431 S433 D442 C446 L448 L450 | W379-L444 HydrophobicContact CH2-CB 3.7Å; W379-L444 HydrophobicContact CZ3-CB 3.95Å; F430-L444 CarbonylContact C-O 3.6Å; F430-L444 VanDerWaalsContact CA-O 3.32Å; F430-L444 WeakPolarHBondContact CA-O 3.2Å; C431-L444 PolarHBondContact N-O 2.94Å; C431-L444 PolarHBondContact O-N 2.9Å; S433-L444 WeakPolarHBondContact OG-CD1 3.48Å; D442-L444 HydrophobicContact CB-CG 4.25Å; D442-L444 PolarHBondContact O-N 2.04Å; L444-C446 PolarHBondContact O-N 3.36Å; L444-L448 HydrophobicContact CB-CD1 4.07Å; L444-L448 HydrophobicContact CD1-CD1 3.93Å; L444-L448 HydrophobicContact CG-CD1 4.44Å; L444-L450 HydrophobicContact CD1-CD1 4.32Å |
| 445 | P | 74 | Confident | 72 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 130 | 173.3 | -20.1 | 32.3 | 0 | 0 | 0 | 110.8 | W379 N427 F430 S447 L448 | W379-P445 VanDerWaalsContact CH2-O 3.31Å; W379-P445 WeakPolarHBondContact CH2-O 3.23Å; W379-P445 WeakPolarHBondContact CZ2-O 3.31Å; N427-P445 HydrophobicContact CB-CB 4.33Å; F430-P445 HydrophobicContact CD1-CG 4.38Å; F430-P445 HydrophobicContact CE1-CG 4.26Å; P445-S447 PolarHBondContact O-N 2.89Å; P445-L448 PolarHBondContact O-N 3.2Å |
| 446 | C | 72.5 | Confident | 71.8 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.6 | -173.7 | -62.2 | 0 | 0 | 0 | 0 | 114.3 | W379 R429 F430 C431 L444 L448 | W379-C446 WeakPolarHBondContact CZ2-O 3.46Å; R429-C446 PolarHBondContact O-N 3.35Å; F430-C446 PolarHBondContact O-SG 3.01Å; F430-C446 VanDerWaalsContact O-SG 3.42Å; C431-C446 HydrophobicContact CB-CB 4Å; C431-C446 WeakPolarHBondContact CB-SG 3.19Å; C431-C446 PolarHBondContact N-SG 3.42Å; C431-C446 WeakPolarHBondContact SG-CB 3.43Å; C431-C446 CovalentContact SG-SG 2.05Å; C431-C446 PolarHBondContact SG-SG 2.95Å; L444-C446 PolarHBondContact O-N 3.36Å; C446-L448 PolarHBondContact O-N 2.58Å |
| 447 | S | 67.7 | Low | 71.7 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 53% | 0.531 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 0.4 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 115 | N427 P445 | N427-S447 PolarHBondContact ND2-OG 2.83Å; P445-S447 PolarHBondContact O-N 2.89Å |
| 448 | L | 71.6 | Confident | 71.8 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 42% | 0.419 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.4 | 128.7 | 172.2 | -64 | 179.1 | 0 | 0 | 0 | 110.5 | W379 L444 P445 C446 L450 | W379-L448 HydrophobicContact CH2-CB 4.44Å; W379-L448 HydrophobicContact CZ2-CB 3.9Å; W379-L448 WeakPolarHBondContact CZ2-O 3.33Å; W379-L448 PolarHBondContact NE1-O 2.87Å; L444-L448 HydrophobicContact CB-CD1 4.07Å; L444-L448 HydrophobicContact CD1-CD1 3.93Å; L444-L448 HydrophobicContact CG-CD1 4.44Å; P445-L448 PolarHBondContact O-N 3.2Å; C446-L448 PolarHBondContact O-N 2.58Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 HydrophobicContact CB-CG 4.22Å; L448-L450 PolarHBondContact O-N 3.03Å |
| 449 | K | 73 | Confident | 70.8 | Confident | 166 Ų | 166 | 46.4 Ų | 46.4 | 72% | 0.722 | 25% | 0.253 | S | S | * | . | trans | -74.5 | 83.2 | 177.7 | -66.3 | -170.9 | 175.4 | -172.7 | 0 | 110.8 | ||||
| 450 | L | 79.5 | Confident | 69.6 | Low | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | trans | -106.9 | 151 | 173.8 | -54.7 | -178.1 | 0 | 0 | 0 | 110.7 | V375 R377 W379 L444 L448 | V375-L450 HydrophobicContact CG1-CD2 3.68Å; R377-L450 HydrophobicContact CB-CD1 4.03Å; R377-L450 HydrophobicContact CB-CD2 4.17Å; W379-L450 HydrophobicContact CD2-CB 4.33Å; W379-L450 HydrophobicContact CD2-CD1 4.01Å; W379-L450 HydrophobicContact CE3-CD1 4.16Å; W379-L450 HydrophobicContact CG-CB 4.23Å; W379-L450 HydrophobicContact CH2-CD1 4.1Å; W379-L450 HydrophobicContact CZ2-CD1 3.95Å; W379-L450 HydrophobicContact CZ2-CG 4.25Å; W379-L450 HydrophobicContact CZ3-CD1 4.19Å; L444-L450 HydrophobicContact CD1-CD1 4.32Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 HydrophobicContact CB-CG 4.22Å; L448-L450 PolarHBondContact O-N 3.03Å | ||
| 451 | P | 81 | Confident | 68.5 | Low | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -46.7 | 158.1 | 160.7 | -26.3 | 32.3 | 0 | 0 | 0 | 112.8 | L336 Y337 T338 L373 R377 A378 W379 | L336-P451 HydrophobicContact CD1-CB 3.88Å; L336-P451 HydrophobicContact CG-CB 4.47Å; Y337-P451 WeakPolarHBondContact O-CA 3.46Å; Y337-P451 WeakPolarHBondContact O-CB 3.38Å; T338-P451 HydrophobicContact CG2-CB 4.2Å; T338-P451 HydrophobicContact CG2-CG 4.22Å; L373-P451 HydrophobicContact CD2-CB 4.43Å; L373-P451 HydrophobicContact CD2-CG 3.43Å; L373-P451 VanDerWaalsContact CD2-CG 3.43Å; R377-P451 WeakPolarHBondContact O-CD 3.34Å; A378-P451 CarbonylContact C-O 3.59Å; A378-P451 VanDerWaalsContact CA-O 3.23Å; A378-P451 WeakPolarHBondContact CA-O 3.49Å; A378-P451 HydrophobicContact CB-CB 4.03Å; A378-P451 WeakPolarHBondContact CB-O 3.42Å; W379-P451 PolarHBondContact N-O 2.92Å | ||
| 452 | S | 84.9 | Confident | 66.5 | Low | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.6 | 178.3 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | Y337 | Y337-S452 PolarHBondContact N-O 3.49Å; Y337-S452 PolarHBondContact O-N 3.36Å; Y337-S452 VanDerWaalsContact O-N 3.11Å |
| 453 | I | 85.7 | Confident | 64.7 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 107.1 | 173.2 | -58.5 | 179.4 | 0 | 0 | 0 | 108.5 | Y334 L336 K351 L352 M363 L366 A378 W379 | Y334-I453 HydrophobicContact CD1-CG2 4.29Å; L336-I453 HydrophobicContact CD1-CG1 3.89Å; K351-I453 WeakPolarHBondContact CA-O 3.05Å; L352-I453 PolarHBondContact N-O 3.1Å; L352-I453 VanDerWaalsContact N-O 3.09Å; M363-I453 HydrophobicContact CB-CD1 3.72Å; M363-I453 HydrophobicContact CE-CG2 4.28Å; M363-I453 HydrophobicContact CG-CD1 3.99Å; M363-I453 HydrophobicContact CG-CG2 4.22Å; M363-I453 HydrophobicContact SD-CD1 4.09Å; M363-I453 HydrophobicContact SD-CG2 4.18Å; L366-I453 HydrophobicContact CD1-CG2 4.09Å; A378-I453 HydrophobicContact CB-CD1 4.28Å; A378-I453 HydrophobicContact CB-CG1 3.96Å; W379-I453 PolarHBondContact O-N 2.99Å |
| 454 | C | 83 | Confident | 62.4 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152.9 | -172.3 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | Y334 R335 Y337 C348 I350 | Y334-C454 CarbonylContact C-O 3.49Å; Y334-C454 WeakPolarHBondContact CA-O 3.46Å; R335-C454 PolarHBondContact N-O 3.35Å; R335-C454 PolarHBondContact O-N 2.66Å; Y337-C454 HydrophobicContact CD2-CB 3.62Å; Y337-C454 HydrophobicContact CE2-CB 3.79Å; C348-C454 HydrophobicContact CB-CB 3.88Å; C348-C454 WeakPolarHBondContact CB-SG 3.19Å; C348-C454 WeakPolarHBondContact SG-CB 3.23Å; C348-C454 CovalentContact SG-SG 2.02Å; C348-C454 PolarHBondContact SG-SG 2.88Å; I350-C454 WeakPolarHBondContact O-CA 3.38Å |
| 455 | G | 78.2 | Confident | 60 | Low | 9 Ų | 9 | 71.8 Ų | 71.8 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176 | -174.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | C333 I350 | C333-G455 CarbonylContact O-C 3.54Å; C333-G455 WeakPolarHBondContact O-CA 3.05Å; I350-G455 PolarHBondContact O-N 2.75Å |
| 456 | Y | 71.7 | Confident | 57.7 | Low | 53 Ų | 53 | 76 Ų | 76 | 21% | 0.208 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 157.1 | 177 | 55.8 | -82.2 | 0 | 0 | 0 | 109.8 | K323 Y326 C333 L458 | K323-Y456 VanDerWaalsContact CB-OH 3.3Å; K323-Y456 WeakPolarHBondContact CB-OH 3.49Å; K323-Y456 HydrophobicContact CD-CE1 4.31Å; K323-Y456 VanDerWaalsContact CG-OH 3.3Å; K323-Y456 WeakPolarHBondContact CG-OH 3.38Å; K323-Y456 PolarHBondContact N-OH 2.84Å; Y326-Y456 HydrophobicContact CD1-CD1 4.29Å; Y326-Y456 AromaticContact CD1-CE1 3.63Å; Y326-Y456 HydrophobicContact CD1-CE1 3.63Å; Y326-Y456 HydrophobicContact CD2-CE1 4.2Å; Y326-Y456 AromaticContact CE1-CD1 3.99Å; Y326-Y456 HydrophobicContact CE1-CD1 3.99Å; Y326-Y456 AromaticContact CE1-CE1 3.63Å; Y326-Y456 HydrophobicContact CE1-CE1 3.63Å; Y326-Y456 HydrophobicContact CE2-CE1 4.18Å; Y326-Y456 AromaticContact CG-CE1 3.94Å; Y326-Y456 HydrophobicContact CG-CE1 3.94Å; Y326-Y456 AromaticContact CZ-CE1 3.9Å; C333-Y456 HydrophobicContact CB-CD1 4.1Å; C333-Y456 HydrophobicContact CB-CD2 4.09Å; C333-Y456 HydrophobicContact CB-CE1 3.65Å; C333-Y456 HydrophobicContact CB-CE2 3.66Å; C333-Y456 HydrophobicContact CB-CG 4.28Å; C333-Y456 PolarHBondContact N-O 2.56Å; C333-Y456 PolarHBondContact O-N 3.05Å; C333-Y456 VanDerWaalsContact O-N 3.13Å; C333-Y456 VanDerWaalsContact SG-CE2 3.57Å; Y456-L458 HydrophobicContact CE2-CD2 4.5Å |
| 457 | H | 67.3 | Low | 55.4 | Low | 87 Ų | 87 | 82.7 Ų | 82.7 | 40% | 0.403 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 143.4 | 174.5 | -59 | -146.1 | 0 | 0 | 0 | 108.6 | R332 D402 P459 | R332-H457 PolarHBondContact NH1-CD2 3.02Å; R332-H457 PolarHBondContact NH1-CE1 3.24Å; R332-H457 PolarHBondContact NH1-NE2 3.03Å; D402-H457 IonicContact OD2-CE1 3.71Å; D402-H457 IonicContact OD2-NE2 3.98Å; H457-P459 WeakPolarHBondContact O-CD 3.4Å |
| 458 | L | 60 | Low | 53.3 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 18% | 0.183 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 122 | 164.7 | -71.7 | 166.5 | 0 | 0 | 0 | 108.4 | A321 E328 K331 C333 Y456 | A321-L458 HydrophobicContact CB-CD1 3.96Å; A321-L458 HydrophobicContact CB-CD2 4.22Å; E328-L458 VanDerWaalsContact CD-CD1 3.46Å; E328-L458 HydrophobicContact CG-CD1 3.77Å; K331-L458 WeakPolarHBondContact O-CB 3.49Å; K331-L458 PolarHBondContact O-N 2.7Å; C333-L458 VanDerWaalsContact SG-CD2 3.5Å; C333-L458 VanDerWaalsContact SG-CG 3.52Å; Y456-L458 HydrophobicContact CE2-CD2 4.5Å |
| 459 | P | 41.8 | Very low | 51.2 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 66% | 0.662 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -66.3 | 155.2 | 172.7 | 28.7 | -33.9 | 0 | 0 | 0 | 110.7 | H457 | H457-P459 WeakPolarHBondContact O-CD 3.4Š|
| 460 | N | 35.5 | Very low | 48.9 | Very low | 154 Ų | 154 | 85.7 Ų | 85.7 | 82% | 0.824 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 70.8 | 56 | 171.8 | -52.1 | -6.2 | 0 | 0 | 0 | 116 | ||
| 461 | Y | 32.3 | Very low | 46.5 | Very low | 141 Ų | 141 | 91.3 Ų | 91.3 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | trans | -139.2 | 113.6 | 165.1 | -172.5 | -75.6 | 0 | 0 | 0 | 112.1 | K331 H463 | K331-Y461 VanDerWaalsContact CD-CB 3.5Å; K331-Y461 HydrophobicContact CD-CD1 2.63Å; K331-Y461 HydrophobicContact CD-CD2 3.38Å; K331-Y461 HydrophobicContact CD-CE1 3.19Å; K331-Y461 HydrophobicContact CD-CE2 3.84Å; K331-Y461 HydrophobicContact CD-CG 2.74Å; K331-Y461 WeakPolarHBondContact CE-OH 3.47Å; K331-Y461 HydrophobicContact CG-CD1 4.12Å; K331-Y461 HydrophobicContact CG-CD2 3.96Å; K331-Y461 HydrophobicContact CG-CE2 4.44Å; K331-Y461 HydrophobicContact CG-CG 3.79Å; K331-Y461 PolarHBondContact NZ-OH 3.34Å; Y461-H463 AromaticContact CE1-CD2 3.75Å; Y461-H463 AromaticContact CE1-NE2 4Å | ||
| 462 | K | 26.3 | Very low | 44.1 | Very low | 96 Ų | 96 | 95.4 Ų | 95.4 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 150.4 | 167.8 | -57.3 | -179.6 | -179.5 | 68.6 | 0 | 109.9 | K331 H629 D630 | K331-K462 PolarHBondContact NZ-O 2.97Å; K462-H629 VanDerWaalsContact NZ-C 3.31Å; K462-H629 PolarHBondContact NZ-O 2.87Å; K462-D630 VanDerWaalsContact NZ-CG 3.25Å; K462-D630 IonicContact NZ-OD1 2.64Å; K462-D630 IonicContact NZ-OD2 2.82Å; K462-D630 PolarHBondContact NZ-OD2 3.43Å |
| 463 | H | 27.3 | Very low | 41.8 | Very low | 159 Ų | 159 | 101.9 Ų | 101.9 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 131.5 | 173.4 | -115.4 | -97.3 | 0 | 0 | 0 | 110.2 | Y461 L465 | Y461-H463 AromaticContact CE1-CD2 3.75Å; Y461-H463 AromaticContact CE1-NE2 4Å; H463-L465 PolarHBondContact O-N 2.72Å |
| 464 | P | 22.9 | Very low | 40.1 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 121.9 | 173.9 | 30.3 | -31.7 | 0 | 0 | 0 | 109.6 | ||
| 465 | L | 23.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 154.4 | 167.3 | -70 | 170 | 0 | 0 | 0 | 110 | H463 | H463-L465 PolarHBondContact O-N 2.72Š|
| 466 | P | 26.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 81% | 0.812 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.8 | 174.7 | -23.1 | 34.6 | 0 | 0 | 0 | 112.2 | ||
| 467 | Q | 23.1 | Very low | 38.3 | Very low | 174 Ų | 174 | 109.7 Ų | 109.7 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.7 | -171.9 | -66.8 | -167.6 | -97.8 | 0 | 0 | 113.8 | ||
| 468 | D | 24.5 | Very low | 38.3 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | trans | 47 | 103.1 | 134.5 | -48.2 | -41.2 | 0 | 0 | 0 | 118.6 | ||||
| 469 | S | 27.4 | Very low | 38.6 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | trans | -133.5 | 148.5 | 145 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 470 | N | 25.4 | Very low | 40.5 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | trans | -84.7 | 164 | -151.2 | -67.5 | -56.5 | 0 | 0 | 0 | 116.1 | ||||
| 471 | N | 28.8 | Very low | 42.6 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | trans | 83 | 107.6 | 150.7 | -67.6 | -11 | 0 | 0 | 0 | 120.2 | ||||
| 472 | S | 30.9 | Very low | 44.7 | Very low | 99 Ų | 99 | 107.9 Ų | 107.9 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | 47 | 99.1 | 128.8 | 66.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 473 | I | 35.1 | Very low | 46.9 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 72% | 0.718 | 59% | 0.587 | S | S | * | * | -178.5 | 126.6 | 105.6 | -88.4 | 154.1 | 0 | 0 | 0 | 106.9 | |||||
| 474 | S | 49.6 | Very low | 48.8 | Very low | 98 Ų | 98 | 100.2 Ų | 100.2 | 69% | 0.685 | 58% | 0.575 | S | S | * | * | trans | -121 | 64.3 | -160.1 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 475 | S | 56.2 | Low | 51.1 | Low | 84 Ų | 84 | 100.2 Ų | 100.2 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -148.9 | 153.2 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 476 | C | 67.5 | Low | 53.8 | Low | 15 Ų | 15 | 93.7 Ų | 93.7 | 10% | 0.101 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 151.8 | 169.7 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | W480 Q482 C487 | C476-W480 HydrophobicContact CB-CB 3.98Å; C476-Q482 VanDerWaalsContact SG-CB 3.51Å; C476-C487 WeakPolarHBondContact CA-SG 3.23Å; C476-C487 HydrophobicContact CB-CB 3.66Å; C476-C487 WeakPolarHBondContact CB-SG 3.28Å; C476-C487 WeakPolarHBondContact SG-CB 3.17Å; C476-C487 CovalentContact SG-SG 2.02Å; C476-C487 PolarHBondContact SG-SG 2.86Å |
| 477 | P | 71.7 | Confident | 56.5 | Low | 28 Ų | 28 | 87.7 Ų | 87.7 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 151.4 | 171.5 | -21.9 | 32.2 | 0 | 0 | 0 | 111.2 | H479 W480 L619 | P477-H479 PolarHBondContact O-N 2.81Å; P477-W480 HydrophobicContact CB-CD2 4.36Å; P477-W480 HydrophobicContact CB-CG 4.05Å; P477-W480 HydrophobicContact CG-CD2 4.14Å; P477-W480 HydrophobicContact CG-CG 4.23Å; P477-W480 WeakPolarHBondContact O-CB 3.3Å; P477-W480 PolarHBondContact O-N 2.99Å; P477-L619 HydrophobicContact CG-CD2 3.85Å |
| 478 | P | 68.6 | Low | 59.6 | Low | 111 Ų | 111 | 79.4 Ų | 79.4 | 72% | 0.721 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.3 | -180 | -28.6 | 36 | 0 | 0 | 0 | 112.5 | W480 | P478-W480 VanDerWaalsContact C-N 3.29Å; P478-W480 PolarHBondContact O-N 3.16Å |
| 479 | H | 64.9 | Low | 62.4 | Low | 164 Ų | 164 | 73 Ų | 73 | 76% | 0.759 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -2.4 | -174.2 | -45.5 | -80.3 | 0 | 0 | 0 | 117.1 | P477 P490 | P477-H479 PolarHBondContact O-N 2.81Å; H479-P490 HydrophobicContact CB-CG 4.07Å; H479-P490 WeakPolarHBondContact O-CD 3.48Å; H479-P490 VanDerWaalsContact O-CG 3.32Å; H479-P490 WeakPolarHBondContact O-CG 3.21Å |
| 480 | W | 82.3 | Confident | 65 | Low | 24 Ų | 24 | 71.2 Ų | 71.2 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 143 | 174.1 | -66.9 | 46.9 | 0 | 0 | 0 | 111.2 | C476 P477 P478 C487 F488 S489 F508 A518 C617 L619 | C476-W480 HydrophobicContact CB-CB 3.98Å; P477-W480 HydrophobicContact CB-CD2 4.36Å; P477-W480 HydrophobicContact CB-CG 4.05Å; P477-W480 HydrophobicContact CG-CD2 4.14Å; P477-W480 HydrophobicContact CG-CG 4.23Å; P477-W480 WeakPolarHBondContact O-CB 3.3Å; P477-W480 PolarHBondContact O-N 2.99Å; P478-W480 VanDerWaalsContact C-N 3.29Å; P478-W480 PolarHBondContact O-N 3.16Å; W480-C487 HydrophobicContact CB-CB 4.39Å; W480-C487 HydrophobicContact CE3-CB 4.06Å; W480-F488 CarbonylContact C-O 3.55Å; W480-F488 VanDerWaalsContact CA-O 3.29Å; W480-F488 WeakPolarHBondContact CA-O 3.2Å; W480-F488 WeakPolarHBondContact CB-O 3.12Å; W480-S489 VanDerWaalsContact CE2-CB 3.47Å; W480-F508 AromaticContact CZ2-CD1 3.73Å; W480-F508 HydrophobicContact CZ2-CD1 3.73Å; W480-F508 AromaticContact CZ2-CE1 3.68Å; W480-F508 HydrophobicContact CZ2-CE1 3.68Å; W480-F508 HydrophobicContact CZ2-CG 4.22Å; W480-F508 HydrophobicContact CZ2-CZ 4.13Å; W480-F508 AromaticContact NE1-CE1 3.84Å; W480-F508 AromaticContact NE1-CZ 3.83Å; W480-A518 HydrophobicContact CH2-CB 3.56Å; W480-A518 HydrophobicContact CZ3-CB 4.01Å; W480-C617 HydrophobicContact CH2-CB 3.64Å; W480-C617 HydrophobicContact CZ2-CB 4.47Å; W480-C617 HydrophobicContact CZ3-CB 4.07Å; W480-C617 WeakPolarHBondContact CZ3-O 3.45Å; W480-L619 HydrophobicContact CE3-CB 4.16Å; W480-L619 HydrophobicContact CH2-CB 4.41Å; W480-L619 HydrophobicContact CZ3-CB 3.62Å |
| 481 | I | 79.3 | Confident | 67.7 | Low | 83 Ų | 83 | 66.8 Ų | 66.8 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | -173.8 | -58.2 | 171 | 0 | 0 | 0 | 109.4 | C487 F488 F531 L535 | I481-C487 CarbonylContact O-C 3.59Å; I481-F488 PolarHBondContact N-O 3.46Å; I481-F488 PolarHBondContact O-N 3.36Å; I481-F531 HydrophobicContact CG2-CZ 3.99Å; I481-L535 HydrophobicContact CB-CD2 4.45Å; I481-L535 HydrophobicContact CD1-CD2 3.82Å; I481-L535 HydrophobicContact CG2-CD2 4.35Å |
| 482 | Q | 77.3 | Confident | 70.2 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.8 | 180 | -161.6 | 176.9 | -23.1 | 0 | 0 | 112.5 | C476 G484 K486 L621 | C476-Q482 VanDerWaalsContact SG-CB 3.51Å; Q482-G484 PolarHBondContact NE2-O 3.47Å; Q482-K486 WeakPolarHBondContact CA-O 3.22Å; Q482-K486 WeakPolarHBondContact CG-O 3.48Å; Q482-L621 HydrophobicContact CG-CD1 4.34Å |
| 483 | Y | 71.7 | Confident | 72.4 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 115.2 | 164.6 | 173.1 | -96.1 | 0 | 0 | 0 | 109.5 | H485 K486 F488 E528 F531 P759 | Y483-H485 PolarHBondContact O-N 3.26Å; Y483-K486 PolarHBondContact N-O 2.99Å; Y483-K486 PolarHBondContact O-N 3.44Å; Y483-F488 HydrophobicContact CD1-CE2 4.46Å; Y483-E528 HydrophobicContact CE1-CB 3.97Å; Y483-E528 HydrophobicContact CE1-CG 3.92Å; Y483-E528 PolarHBondContact OH-N 3.11Å; Y483-F531 AromaticContact CD1-CD1 3.82Å; Y483-F531 HydrophobicContact CD1-CD1 3.82Å; Y483-F531 HydrophobicContact CD1-CE1 4.35Å; Y483-F531 HydrophobicContact CD1-CG 4.21Å; Y483-F531 HydrophobicContact CD2-CB 3.89Å; Y483-F531 AromaticContact CD2-CD1 3.75Å; Y483-F531 HydrophobicContact CD2-CD1 3.75Å; Y483-F531 AromaticContact CD2-CD2 3.52Å; Y483-F531 HydrophobicContact CD2-CD2 3.52Å; Y483-F531 HydrophobicContact CD2-CE1 4.23Å; Y483-F531 HydrophobicContact CD2-CE2 4.02Å; Y483-F531 AromaticContact CD2-CG 3.38Å; Y483-F531 HydrophobicContact CD2-CG 3.38Å; Y483-F531 HydrophobicContact CD2-CZ 4.36Å; Y483-F531 HydrophobicContact CE1-CB 4.39Å; Y483-F531 HydrophobicContact CE1-CD1 4.39Å; Y483-F531 HydrophobicContact CE1-CG 4.49Å; Y483-F531 HydrophobicContact CE2-CB 3.66Å; Y483-F531 HydrophobicContact CE2-CD1 4.32Å; Y483-F531 HydrophobicContact CE2-CD2 4.07Å; Y483-F531 AromaticContact CE2-CG 3.72Å; Y483-F531 HydrophobicContact CE2-CG 3.72Å; Y483-F531 HydrophobicContact CG-CB 4.35Å; Y483-F531 AromaticContact CG-CD1 3.46Å; Y483-F531 HydrophobicContact CG-CD1 3.46Å; Y483-F531 VanDerWaalsContact CG-CD1 3.46Å; Y483-F531 HydrophobicContact CG-CD2 4.06Å; Y483-F531 AromaticContact CG-CE1 3.75Å; Y483-F531 HydrophobicContact CG-CE1 3.75Å; Y483-F531 HydrophobicContact CG-CE2 4.3Å; Y483-F531 AromaticContact CG-CG 3.65Å; Y483-F531 HydrophobicContact CG-CG 3.65Å; Y483-F531 HydrophobicContact CG-CZ 4.17Å; Y483-P759 HydrophobicContact CE2-CG 4.28Å |
| 484 | G | 68 | Low | 74.6 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -122.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q482 | Q482-G484 PolarHBondContact NE2-O 3.47Š|
| 485 | H | 70.6 | Confident | 76.3 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 3.7 | 177.8 | -60 | -77.5 | 0 | 0 | 0 | 113.8 | Y483 L621 V624 | Y483-H485 PolarHBondContact O-N 3.26Å; H485-L621 PolarHBondContact O-N 2.6Å; H485-V624 WeakPolarHBondContact ND1-CG1 3.49Å |
| 486 | K | 80.6 | Confident | 77.9 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142.2 | 177.7 | -68.6 | 179.2 | 175.6 | -176.3 | 0 | 111 | Q482 Y483 F488 S522 E528 Q618 L620 | Q482-K486 WeakPolarHBondContact CA-O 3.22Å; Q482-K486 WeakPolarHBondContact CG-O 3.48Å; Y483-K486 PolarHBondContact N-O 2.99Å; Y483-K486 PolarHBondContact O-N 3.44Å; K486-F488 HydrophobicContact CB-CD2 4.25Å; K486-F488 HydrophobicContact CB-CE2 3.52Å; K486-F488 HydrophobicContact CB-CZ 3.82Å; K486-F488 HydrophobicContact CD-CE1 4.39Å; K486-F488 HydrophobicContact CD-CE2 4.14Å; K486-F488 HydrophobicContact CD-CZ 3.59Å; K486-F488 HydrophobicContact CG-CE2 4.49Å; K486-F488 HydrophobicContact CG-CZ 4.35Å; K486-S522 PolarHBondContact NZ-O 2.84Å; K486-S522 PolarHBondContact NZ-OG 3.24Å; K486-E528 WeakPolarHBondContact CD-OE1 3.34Å; K486-E528 WeakPolarHBondContact CE-OE1 3.29Å; K486-E528 IonicContact NZ-OE1 3.1Å; K486-E528 PolarHBondContact NZ-OE1 2.98Å; K486-E528 IonicContact NZ-OE2 2.72Å; K486-Q618 VanDerWaalsContact CE-OE1 3.22Å; K486-Q618 VanDerWaalsContact NZ-OE1 3.07Å; K486-L620 HydrophobicContact CG-CD1 3.91Å |
| 487 | C | 82.1 | Confident | 79 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.2 | 165.2 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | C476 W480 I481 Q618 L619 L621 | C476-C487 WeakPolarHBondContact CA-SG 3.23Å; C476-C487 HydrophobicContact CB-CB 3.66Å; C476-C487 WeakPolarHBondContact CB-SG 3.28Å; C476-C487 WeakPolarHBondContact SG-CB 3.17Å; C476-C487 CovalentContact SG-SG 2.02Å; C476-C487 PolarHBondContact SG-SG 2.86Å; W480-C487 HydrophobicContact CB-CB 4.39Å; W480-C487 HydrophobicContact CE3-CB 4.06Å; I481-C487 CarbonylContact O-C 3.59Å; C487-Q618 CarbonylContact O-C 3.44Å; C487-Q618 VanDerWaalsContact O-CA 3.25Å; C487-Q618 WeakPolarHBondContact O-CA 3.17Å; C487-L619 HydrophobicContact CB-CB 4.29Å; C487-L619 PolarHBondContact N-O 3.09Å; C487-L619 PolarHBondContact O-N 3.01Å; C487-L621 VanDerWaalsContact SG-CD2 3.53Å; C487-L621 WeakPolarHBondContact SG-CG 3.29Å |
| 488 | F | 88.1 | Confident | 80 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.1 | 178.2 | -63.5 | -88.3 | 0 | 0 | 0 | 110.3 | W480 I481 Y483 K486 P521 F531 I532 L535 F616 C617 Q618 | W480-F488 CarbonylContact C-O 3.55Å; W480-F488 VanDerWaalsContact CA-O 3.29Å; W480-F488 WeakPolarHBondContact CA-O 3.2Å; W480-F488 WeakPolarHBondContact CB-O 3.12Å; I481-F488 PolarHBondContact N-O 3.46Å; I481-F488 PolarHBondContact O-N 3.36Å; Y483-F488 HydrophobicContact CD1-CE2 4.46Å; K486-F488 HydrophobicContact CB-CD2 4.25Å; K486-F488 HydrophobicContact CB-CE2 3.52Å; K486-F488 HydrophobicContact CB-CZ 3.82Å; K486-F488 HydrophobicContact CD-CE1 4.39Å; K486-F488 HydrophobicContact CD-CE2 4.14Å; K486-F488 HydrophobicContact CD-CZ 3.59Å; K486-F488 HydrophobicContact CG-CE2 4.49Å; K486-F488 HydrophobicContact CG-CZ 4.35Å; F488-P521 HydrophobicContact CE1-CB 4.28Å; F488-F531 AromaticContact CD2-CE1 3.73Å; F488-F531 HydrophobicContact CD2-CE1 3.73Å; F488-F531 HydrophobicContact CE2-CD1 4.34Å; F488-F531 AromaticContact CE2-CE1 3.83Å; F488-F531 HydrophobicContact CE2-CE1 3.83Å; F488-I532 HydrophobicContact CE1-CD1 3.88Å; F488-I532 HydrophobicContact CE1-CG1 4.07Å; F488-I532 HydrophobicContact CZ-CD1 3.91Å; F488-I532 HydrophobicContact CZ-CG1 4.07Å; F488-L535 HydrophobicContact CB-CD1 3.67Å; F488-L535 HydrophobicContact CD1-CD1 4.13Å; F488-L535 HydrophobicContact CD2-CD1 4.32Å; F488-L535 HydrophobicContact CG-CD1 3.79Å; F488-F616 HydrophobicContact CB-CD2 4.16Å; F488-F616 AromaticContact CD1-CD2 3.9Å; F488-F616 HydrophobicContact CD1-CD2 3.9Å; F488-F616 AromaticContact CD1-CE2 3.65Å; F488-F616 HydrophobicContact CD1-CE2 3.65Å; F488-F616 HydrophobicContact CE1-CE2 4.29Å; F488-F616 HydrophobicContact CG-CD2 4.49Å; F488-F616 HydrophobicContact CG-CE2 4.42Å; F488-C617 CarbonylContact C-O 3.54Å; F488-C617 WeakPolarHBondContact CA-O 3.4Å; F488-Q618 HydrophobicContact CD1-CB 3.75Å; F488-Q618 HydrophobicContact CE1-CB 3.65Å; F488-Q618 HydrophobicContact CZ-CB 4.45Å |
| 489 | S | 83.9 | Confident | 80.9 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69 | 161.1 | 177.4 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | W480 H492 F616 C617 | W480-S489 VanDerWaalsContact CE2-CB 3.47Å; S489-H492 PolarHBondContact OG-CD2 2.82Å; S489-H492 PolarHBondContact OG-NE2 3.07Å; S489-H492 VanDerWaalsContact OG-NE2 3.13Å; S489-F616 WeakPolarHBondContact O-CB 3.32Å; S489-F616 WeakPolarHBondContact OG-CA 3.34Å; S489-C617 PolarHBondContact N-O 3.33Å; S489-C617 PolarHBondContact OG-N 3.32Å |
| 490 | P | 81.6 | Confident | 81.9 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 149.7 | 159.3 | -20.2 | 33.1 | 0 | 0 | 0 | 110.4 | H479 H492 | H479-P490 HydrophobicContact CB-CG 4.07Å; H479-P490 WeakPolarHBondContact O-CD 3.48Å; H479-P490 VanDerWaalsContact O-CG 3.32Å; H479-P490 WeakPolarHBondContact O-CG 3.21Å; P490-H492 PolarHBondContact O-CD2 3.11Å; P490-H492 PolarHBondContact O-N 3.39Å |
| 491 | I | 83.9 | Confident | 82.3 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -60 | 124.3 | 175.8 | -59.2 | 179.4 | 0 | 0 | 0 | 110.1 | S493 L535 V539 V541 L614 Y615 F616 | I491-S493 PolarHBondContact O-N 2.8Å; I491-L535 WeakPolarHBondContact CD1-O 3.37Å; I491-V539 HydrophobicContact CD1-CG2 4.26Å; I491-V541 HydrophobicContact CD1-CG1 4.37Å; I491-L614 HydrophobicContact CG2-CB 3.72Å; I491-L614 HydrophobicContact CG2-CD1 4.29Å; I491-L614 HydrophobicContact CG2-CG 4.43Å; I491-Y615 CarbonylContact C-O 3.4Å; I491-Y615 WeakPolarHBondContact CA-O 3.19Å; I491-F616 HydrophobicContact CG1-CB 4.36Å; I491-F616 HydrophobicContact CG1-CD1 4.04Å |
| 492 | H | 81.2 | Confident | 82.7 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.148 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 117.9 | 179.1 | -69.1 | -134.2 | 0 | 0 | 0 | 108 | S489 P490 T494 D504 L614 Y615 | S489-H492 PolarHBondContact OG-CD2 2.82Å; S489-H492 PolarHBondContact OG-NE2 3.07Å; S489-H492 VanDerWaalsContact OG-NE2 3.13Å; P490-H492 PolarHBondContact O-CD2 3.11Å; P490-H492 PolarHBondContact O-N 3.39Å; H492-T494 PolarHBondContact O-N 3.16Å; H492-T494 VanDerWaalsContact O-N 3.1Å; H492-D504 IonicContact CE1-OD2 2.83Å; H492-D504 PolarHBondContact CE1-OD2 2.85Å; H492-D504 VanDerWaalsContact CE1-OD2 3.27Å; H492-D504 IonicContact CG-OD2 2.68Å; H492-D504 IonicContact ND1-OD2 3.17Å; H492-D504 PolarHBondContact ND1-OD2 2.94Å; H492-L614 VanDerWaalsContact O-CD2 3.3Å; H492-L614 WeakPolarHBondContact O-CD2 3.36Å; H492-Y615 HydrophobicContact CB-CD1 4.34Å; H492-Y615 HydrophobicContact CB-CD2 4.22Å; H492-Y615 HydrophobicContact CB-CE1 3.8Å; H492-Y615 HydrophobicContact CB-CE2 3.7Å; H492-Y615 HydrophobicContact CB-CG 4.5Å; H492-Y615 VanDerWaalsContact CB-CZ 3.44Å; H492-Y615 AromaticContact CG-CE2 3.49Å; H492-Y615 VanDerWaalsContact CG-CE2 3.49Å; H492-Y615 AromaticContact CG-CZ 3.69Å; H492-Y615 PolarHBondContact N-O 2.03Å; H492-Y615 AromaticContact ND1-CE2 3.48Å; H492-Y615 WeakPolarHBondContact ND1-CE2 3.28Å; H492-Y615 AromaticContact ND1-CZ 3.7Å; H492-Y615 PolarHBondContact ND1-OH 2.9Å |
| 493 | S | 75.5 | Confident | 83 | Confident | 110 Ų | 110 | 42.6 Ų | 42.6 | 77% | 0.769 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -10.2 | -167.5 | 57.2 | 0 | 0 | 0 | 0 | 115 | I491 | I491-S493 PolarHBondContact O-N 2.8Å |
| 494 | T | 82.3 | Confident | 83.5 | Confident | 83 Ų | 83 | 43 Ų | 43 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.9 | 177.2 | 43.9 | 0 | 0 | 0 | 0 | 110.1 | H492 L496 Y615 | H492-T494 PolarHBondContact O-N 3.16Å; H492-T494 VanDerWaalsContact O-N 3.1Å; T494-L496 PolarHBondContact O-N 2.04Å; T494-Y615 WeakPolarHBondContact O-CE1 3.43Å |
| 495 | P | 85.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.5 | 179.7 | 28.6 | -33.8 | 0 | 0 | 0 | 111.6 | R612 H613 L614 | P495-R612 HydrophobicContact CB-CB 4.19Å; P495-R612 PolarHBondContact O-NH1 3Å; P495-H613 CarbonylContact C-O 3.49Å; P495-H613 WeakPolarHBondContact CA-O 3.37Å; P495-H613 WeakPolarHBondContact CB-O 3.29Å; P495-L614 HydrophobicContact CB-CD2 3.95Å; P495-L614 HydrophobicContact CB-CG 4.36Å; P495-L614 HydrophobicContact CG-CD2 4.35Å |
| 496 | L | 89.6 | Confident | 85 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 15% | 0.152 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.1 | -174.9 | -64.5 | -173.9 | 0 | 0 | 0 | 111.6 | T494 E500 A501 D504 W542 H613 Y615 | T494-L496 PolarHBondContact O-N 2.04Å; L496-E500 HydrophobicContact CB-CB 3.96Å; L496-E500 HydrophobicContact CD1-CB 4.07Å; L496-E500 HydrophobicContact CG-CB 4.44Å; L496-A501 HydrophobicContact CB-CB 4.23Å; L496-D504 HydrophobicContact CD1-CB 4.47Å; L496-W542 PolarHBondContact O-NE1 2.89Å; L496-H613 PolarHBondContact N-O 3.42Å; L496-H613 PolarHBondContact O-N 2.87Å; L496-Y615 HydrophobicContact CB-CD1 4.44Å; L496-Y615 HydrophobicContact CB-CE1 3.87Å; L496-Y615 HydrophobicContact CD1-CE1 3.8Å; L496-Y615 VanDerWaalsContact CD1-OH 3.23Å; L496-Y615 WeakPolarHBondContact CD1-OH 3.31Å; L496-Y615 HydrophobicContact CG-CE1 3.75Å |
| 497 | P | 90.4 | Very high | 84.7 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.045 | 25% | 0.252 | C | S | . | . | trans | -54.4 | 150.8 | 161 | -25.9 | 37.7 | 0 | 0 | 0 | 111.5 | S499 E500 A501 S611 R612 | P497-S499 PolarHBondContact O-N 3.35Å; P497-E500 HydrophobicContact CB-CB 4.39Å; P497-E500 HydrophobicContact CB-CG 4.41Å; P497-E500 VanDerWaalsContact CD-CD 3.46Å; P497-E500 VanDerWaalsContact CD-OE2 3.31Å; P497-E500 WeakPolarHBondContact CD-OE2 3.42Å; P497-E500 HydrophobicContact CG-CG 4.31Å; P497-E500 WeakPolarHBondContact CG-OE1 3.08Å; P497-E500 PolarHBondContact O-N 3.45Å; P497-A501 WeakPolarHBondContact O-CB 3.09Å; P497-A501 PolarHBondContact O-N 3.37Å; P497-S611 WeakPolarHBondContact CA-O 3.42Å; P497-R612 VanDerWaalsContact CD-CZ 3.49Å; P497-R612 HydrophobicContact CG-CG 4.2Å | ||
| 498 | W | 92.4 | Very high | 84 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.3 | -39.8 | -175.5 | -173.6 | 93 | 0 | 0 | 0 | 112.6 | A501 E502 L520 W542 L543 Q546 C594 C609 | W498-A501 PolarHBondContact O-N 2.89Å; W498-E502 HydrophobicContact CE3-CB 4.45Å; W498-E502 HydrophobicContact CH2-CG 4.33Å; W498-E502 HydrophobicContact CZ3-CB 4.33Å; W498-E502 HydrophobicContact CZ3-CG 4.39Å; W498-E502 WeakPolarHBondContact O-CB 3.46Å; W498-E502 PolarHBondContact O-N 2.89Å; W498-L520 HydrophobicContact CD2-CD1 4.12Å; W498-L520 HydrophobicContact CG-CD1 4.09Å; W498-L520 HydrophobicContact CZ2-CD1 4.31Å; W498-W542 HydrophobicContact CB-CD2 4.06Å; W498-W542 HydrophobicContact CB-CE3 4.36Å; W498-W542 HydrophobicContact CB-CH2 4.05Å; W498-W542 HydrophobicContact CB-CZ2 3.7Å; W498-W542 HydrophobicContact CB-CZ3 4.37Å; W498-W542 AromaticContact CD1-CD2 3.67Å; W498-W542 AromaticContact CD1-CE3 3.58Å; W498-W542 HydrophobicContact CG-CD2 4.29Å; W498-W542 HydrophobicContact CG-CE3 4.37Å; W498-L543 PolarHBondContact NE1-O 3.33Å; W498-Q546 VanDerWaalsContact CE3-NE2 3.33Å; W498-Q546 HydrophobicContact CH2-CB 4.24Å; W498-Q546 HydrophobicContact CH2-CG 4.47Å; W498-Q546 VanDerWaalsContact CH2-OE1 3.31Å; W498-Q546 HydrophobicContact CZ2-CB 4Å; W498-C594 HydrophobicContact CB-CB 4.07Å; W498-C594 HydrophobicContact CD2-CB 4.39Å; W498-C594 VanDerWaalsContact CD2-SG 3.54Å; W498-C594 HydrophobicContact CG-CB 3.77Å; W498-C609 HydrophobicContact CB-CB 4.19Å; W498-C609 PolarHBondContact N-O 2.99Å |
| 499 | S | 86.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72 | -33.2 | 178.3 | 50 | 0 | 0 | 0 | 0 | 113.9 | P497 S503 | P497-S499 PolarHBondContact O-N 3.35Å; S499-S503 VanDerWaalsContact O-CB 3.25Å; S499-S503 WeakPolarHBondContact O-CB 3.04Å; S499-S503 PolarHBondContact O-N 3.22Å; S499-S503 VanDerWaalsContact O-N 3.15Å; S499-S503 PolarHBondContact O-OG 2.87Å |
| 500 | E | 87.7 | Confident | 80.4 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.5 | -39.1 | 172.1 | -74.6 | 174 | -144.3 | 0 | 0 | 110.1 | L496 P497 S503 D504 R612 | L496-E500 HydrophobicContact CB-CB 3.96Å; L496-E500 HydrophobicContact CD1-CB 4.07Å; L496-E500 HydrophobicContact CG-CB 4.44Å; P497-E500 HydrophobicContact CB-CB 4.39Å; P497-E500 HydrophobicContact CB-CG 4.41Å; P497-E500 VanDerWaalsContact CD-CD 3.46Å; P497-E500 VanDerWaalsContact CD-OE2 3.31Å; P497-E500 WeakPolarHBondContact CD-OE2 3.42Å; P497-E500 HydrophobicContact CG-CG 4.31Å; P497-E500 WeakPolarHBondContact CG-OE1 3.08Å; P497-E500 PolarHBondContact O-N 3.45Å; E500-S503 PolarHBondContact O-N 3.22Å; E500-D504 WeakPolarHBondContact O-CB 3.36Å; E500-D504 PolarHBondContact O-N 3.09Å; E500-R612 IonicContact OE1-NH2 2.72Å; E500-R612 PolarHBondContact OE1-NH2 2.71Å; E500-R612 IonicContact OE2-CZ 3.99Å; E500-R612 IonicContact OE2-NH1 2.65Å; E500-R612 IonicContact OE2-NH2 3.7Å; E500-R612 PolarHBondContact OE2-NH2 3.45Å |
| 501 | A | 89 | Confident | 78.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -49.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L496 P497 W498 S503 D504 C505 L520 Y615 | L496-A501 HydrophobicContact CB-CB 4.23Å; P497-A501 WeakPolarHBondContact O-CB 3.09Å; P497-A501 PolarHBondContact O-N 3.37Å; W498-A501 PolarHBondContact O-N 2.89Å; A501-S503 VanDerWaalsContact C-N 3.26Å; A501-S503 PolarHBondContact O-N 2.88Å; A501-D504 PolarHBondContact O-N 3.43Å; A501-D504 VanDerWaalsContact O-N 3.16Å; A501-C505 PolarHBondContact O-N 2.71Å; A501-C505 PolarHBondContact O-SG 3Å; A501-C505 VanDerWaalsContact O-SG 3.34Å; A501-L520 HydrophobicContact CB-CD1 4.38Å; A501-L520 HydrophobicContact CB-CD2 4.25Å; A501-Y615 HydrophobicContact CB-CD1 3.6Å; A501-Y615 HydrophobicContact CB-CD2 3.82Å; A501-Y615 HydrophobicContact CB-CE1 3.96Å; A501-Y615 HydrophobicContact CB-CE2 4.13Å; A501-Y615 HydrophobicContact CB-CG 3.56Å |
| 502 | E | 89.1 | Confident | 76.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 173.2 | 179.7 | 64.8 | -152.6 | 0 | 0 | 110.9 | W498 C505 V506 H519 L520 S567 | W498-E502 HydrophobicContact CE3-CB 4.45Å; W498-E502 HydrophobicContact CH2-CG 4.33Å; W498-E502 HydrophobicContact CZ3-CB 4.33Å; W498-E502 HydrophobicContact CZ3-CG 4.39Å; W498-E502 WeakPolarHBondContact O-CB 3.46Å; W498-E502 PolarHBondContact O-N 2.89Å; E502-C505 PolarHBondContact O-N 3.09Å; E502-V506 WeakPolarHBondContact O-CB 3.38Å; E502-V506 WeakPolarHBondContact O-CG2 3.47Å; E502-V506 PolarHBondContact O-N 3.18Å; E502-H519 IonicContact OE1-CE1 2.73Å; E502-H519 IonicContact OE1-CG 2.69Å; E502-H519 IonicContact OE1-ND1 3.55Å; E502-H519 PolarHBondContact OE1-ND1 2.99Å; E502-L520 HydrophobicContact CB-CD1 3.9Å; E502-L520 HydrophobicContact CB-CG 4.24Å; E502-L520 VanDerWaalsContact OE2-CB 3.3Å; E502-L520 WeakPolarHBondContact OE2-CB 3.42Å; E502-L520 WeakPolarHBondContact OE2-CG 3.3Å; E502-L520 PolarHBondContact OE2-N 2.79Å; E502-S567 VanDerWaalsContact CD-CB 3.5Å; E502-S567 VanDerWaalsContact OE2-CB 3.25Å; E502-S567 WeakPolarHBondContact OE2-CB 3.18Å; E502-S567 PolarHBondContact OE2-OG 3Å |
| 503 | S | 82.2 | Confident | 74.9 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | S499 E500 A501 V506 N507 | S499-S503 VanDerWaalsContact O-CB 3.25Å; S499-S503 WeakPolarHBondContact O-CB 3.04Å; S499-S503 PolarHBondContact O-N 3.22Å; S499-S503 VanDerWaalsContact O-N 3.15Å; S499-S503 PolarHBondContact O-OG 2.87Å; E500-S503 PolarHBondContact O-N 3.22Å; A501-S503 VanDerWaalsContact C-N 3.26Å; A501-S503 PolarHBondContact O-N 2.88Å; S503-V506 PolarHBondContact O-N 3.15Å; S503-N507 WeakPolarHBondContact O-CB 3.02Å; S503-N507 PolarHBondContact O-N 3.35Å; S503-N507 PolarHBondContact O-ND2 2.99Å |
| 504 | D | 83.9 | Confident | 73.1 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 32% | 0.316 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.5 | -168.4 | 55 | 0 | 0 | 0 | 111.1 | H492 L496 E500 A501 N507 F508 Y615 | H492-D504 IonicContact CE1-OD2 2.83Å; H492-D504 PolarHBondContact CE1-OD2 2.85Å; H492-D504 VanDerWaalsContact CE1-OD2 3.27Å; H492-D504 IonicContact CG-OD2 2.68Å; H492-D504 IonicContact ND1-OD2 3.17Å; H492-D504 PolarHBondContact ND1-OD2 2.94Å; L496-D504 HydrophobicContact CD1-CB 4.47Å; E500-D504 WeakPolarHBondContact O-CB 3.36Å; E500-D504 PolarHBondContact O-N 3.09Å; A501-D504 PolarHBondContact O-N 3.43Å; A501-D504 VanDerWaalsContact O-N 3.16Å; D504-N507 PolarHBondContact O-N 2.85Å; D504-F508 PolarHBondContact O-N 3.46Å; D504-F508 VanDerWaalsContact O-N 3.08Å; D504-Y615 HydrophobicContact CB-CE2 4.06Å; D504-Y615 VanDerWaalsContact CG-OH 3.31Å; D504-Y615 WeakPolarHBondContact OD2-CE2 3.28Å; D504-Y615 PolarHBondContact OD2-OH 3.3Å |
| 505 | C | 87.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 171.6 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | A501 E502 N507 F508 A518 C617 | A501-C505 PolarHBondContact O-N 2.71Å; A501-C505 PolarHBondContact O-SG 3Å; A501-C505 VanDerWaalsContact O-SG 3.34Å; E502-C505 PolarHBondContact O-N 3.09Å; C505-N507 PolarHBondContact O-N 3.41Å; C505-F508 PolarHBondContact O-N 2.87Å; C505-A518 CarbonylContact C-O 3.56Å; C505-A518 HydrophobicContact CB-CB 4.38Å; C505-A518 WeakPolarHBondContact CB-O 3.35Å; C505-A518 WeakPolarHBondContact O-CB 3.47Å; C505-C617 WeakPolarHBondContact CA-SG 3Å; C505-C617 HydrophobicContact CB-CB 3.62Å; C505-C617 WeakPolarHBondContact CB-SG 3.39Å; C505-C617 VanDerWaalsContact SG-CA 3.52Å; C505-C617 WeakPolarHBondContact SG-CB 3.06Å; C505-C617 CovalentContact SG-SG 2.03Å; C505-C617 PolarHBondContact SG-SG 3.03Å |
| 506 | V | 81.9 | Confident | 69.6 | Low | 36 Ų | 36 | 65.6 Ų | 65.6 | 22% | 0.218 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.9 | -35.1 | -179 | 167.1 | 0 | 0 | 0 | 0 | 112.3 | E502 S503 R517 A518 | E502-V506 WeakPolarHBondContact O-CB 3.38Å; E502-V506 WeakPolarHBondContact O-CG2 3.47Å; E502-V506 PolarHBondContact O-N 3.18Å; S503-V506 PolarHBondContact O-N 3.15Å; V506-R517 HydrophobicContact CG1-CG 4.35Å; V506-A518 WeakPolarHBondContact CA-O 3.38Å; V506-A518 WeakPolarHBondContact CG2-O 3.36Å; V506-A518 PolarHBondContact N-O 2.81Å; V506-A518 VanDerWaalsContact N-O 3.17Å |
| 507 | N | 73.5 | Confident | 68.4 | Low | 113 Ų | 113 | 72.5 Ų | 72.5 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -87.2 | -4.5 | -177.4 | -65.4 | -31.6 | 0 | 0 | 0 | 114.1 | S503 D504 C505 V509 | S503-N507 WeakPolarHBondContact O-CB 3.02Å; S503-N507 PolarHBondContact O-N 3.35Å; S503-N507 PolarHBondContact O-ND2 2.99Å; D504-N507 PolarHBondContact O-N 2.85Å; C505-N507 PolarHBondContact O-N 3.41Å; N507-V509 PolarHBondContact O-N 3.36Å |
| 508 | F | 67 | Low | 67.9 | Low | 102 Ų | 102 | 72.2 Ų | 72.2 | 45% | 0.447 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.3 | 178.5 | -169.2 | -97.2 | 0 | 0 | 0 | 113.6 | W480 D504 C505 | W480-F508 AromaticContact CZ2-CD1 3.73Å; W480-F508 HydrophobicContact CZ2-CD1 3.73Å; W480-F508 AromaticContact CZ2-CE1 3.68Å; W480-F508 HydrophobicContact CZ2-CE1 3.68Å; W480-F508 HydrophobicContact CZ2-CG 4.22Å; W480-F508 HydrophobicContact CZ2-CZ 4.13Å; W480-F508 AromaticContact NE1-CE1 3.84Å; W480-F508 AromaticContact NE1-CZ 3.83Å; D504-F508 PolarHBondContact O-N 3.46Å; D504-F508 VanDerWaalsContact O-N 3.08Å; C505-F508 PolarHBondContact O-N 2.87Å |
| 509 | V | 56.8 | Low | 67.8 | Low | 42 Ų | 42 | 73.4 Ų | 73.4 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | trans | -119.3 | 69.6 | -173.8 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | N507 T514 | N507-V509 PolarHBondContact O-N 3.36Å; V509-T514 VanDerWaalsContact CG1-OG1 3.29Å; V509-T514 WeakPolarHBondContact CG1-OG1 3.22Å | ||
| 510 | D | 40.8 | Very low | 68 | Low | 172 Ų | 172 | 70.3 Ų | 70.3 | 92% | 0.92 | 38% | 0.383 | S | S | * | . | trans | -102.2 | 42.9 | 170.4 | -146.9 | 20.9 | 0 | 0 | 0 | 111 | ||||
| 511 | G | 39.4 | Very low | 68.1 | Low | 46 Ų | 46 | 66.1 Ų | 66.1 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -149.1 | 142 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | I513 | G511-I513 PolarHBondContact O-N 2.87Š|
| 512 | D | 44.9 | Very low | 67.9 | Low | 179 Ų | 179 | 66.1 Ų | 66.1 | 96% | 0.957 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 19.4 | -160.6 | -68.5 | -53.6 | 0 | 0 | 0 | 118.4 | ||
| 513 | I | 46 | Very low | 67.5 | Low | 136 Ų | 136 | 65 Ų | 65 | 70% | 0.697 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -18.8 | -161 | -60.2 | -177.8 | 0 | 0 | 0 | 115.2 | G511 | G511-I513 PolarHBondContact O-N 2.87Š|
| 514 | T | 39 | Very low | 66.9 | Low | 61 Ų | 61 | 64.4 Ų | 64.4 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | trans | -138.4 | 118.4 | 177.9 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | V509 G516 | V509-T514 VanDerWaalsContact CG1-OG1 3.29Å; V509-T514 WeakPolarHBondContact CG1-OG1 3.22Å; T514-G516 PolarHBondContact O-N 3.22Å | ||
| 515 | P | 41.2 | Very low | 65.7 | Low | 127 Ų | 127 | 63.4 Ų | 63.4 | 83% | 0.825 | 35% | 0.346 | S | S | * | . | trans | -83.7 | 46.6 | -178.7 | 36.6 | -37.4 | 0 | 0 | 0 | 112.7 | ||||
| 516 | G | 51.7 | Low | 64.2 | Low | 14 Ų | 14 | 66.9 Ų | 66.9 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | trans | -141.7 | 128.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T514 L619 | T514-G516 PolarHBondContact O-N 3.22Å; G516-L619 WeakPolarHBondContact O-CD1 3.23Å | ||
| 517 | R | 64.9 | Low | 62.9 | Low | 175 Ų | 175 | 66.3 Ų | 66.3 | 66% | 0.66 | 37% | 0.366 | S | S | * | . | trans | -82.7 | 144.2 | 169.9 | -72.8 | 168.5 | 174.5 | 172.7 | 0.1 | 108.8 | V506 H519 L619 | V506-R517 HydrophobicContact CG1-CG 4.35Å; R517-H519 PolarHBondContact O-CD2 3.01Å; R517-L619 WeakPolarHBondContact O-CD1 3.24Å | ||
| 518 | A | 80.5 | Confident | 62.8 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 153.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | W480 C505 V506 C617 Q618 L619 | W480-A518 HydrophobicContact CH2-CB 3.56Å; W480-A518 HydrophobicContact CZ3-CB 4.01Å; C505-A518 CarbonylContact C-O 3.56Å; C505-A518 HydrophobicContact CB-CB 4.38Å; C505-A518 WeakPolarHBondContact CB-O 3.35Å; C505-A518 WeakPolarHBondContact O-CB 3.47Å; V506-A518 WeakPolarHBondContact CA-O 3.38Å; V506-A518 WeakPolarHBondContact CG2-O 3.36Å; V506-A518 PolarHBondContact N-O 2.81Å; V506-A518 VanDerWaalsContact N-O 3.17Å; A518-C617 HydrophobicContact CB-CB 3.97Å; A518-Q618 CarbonylContact C-O 3.55Å; A518-Q618 WeakPolarHBondContact CA-O 3.2Å; A518-Q618 VanDerWaalsContact CB-O 3.31Å; A518-Q618 WeakPolarHBondContact CB-O 3.05Å; A518-L619 HydrophobicContact CB-CB 4.12Å; A518-L619 HydrophobicContact CB-CD1 4.4Å |
| 519 | H | 88.7 | Confident | 63.2 | Low | 44 Ų | 44 | 57.1 Ų | 57.1 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 168.9 | -173.8 | -70.3 | -80.1 | 0 | 0 | 0 | 109.4 | E502 R517 S567 D568 C617 Q618 | E502-H519 IonicContact OE1-CE1 2.73Å; E502-H519 IonicContact OE1-CG 2.69Å; E502-H519 IonicContact OE1-ND1 3.55Å; E502-H519 PolarHBondContact OE1-ND1 2.99Å; R517-H519 PolarHBondContact O-CD2 3.01Å; H519-S567 PolarHBondContact ND1-O 3.38Å; H519-D568 HydrophobicContact CB-CB 3.98Å; H519-C617 CarbonylContact O-C 3.55Å; H519-C617 VanDerWaalsContact O-CA 3.3Å; H519-C617 WeakPolarHBondContact O-CA 3.39Å; H519-Q618 PolarHBondContact N-O 2.77Å; H519-Q618 WeakPolarHBondContact O-CG 2.92Å; H519-Q618 PolarHBondContact O-N 3.48Å |
| 520 | L | 91.8 | Very high | 63.9 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -67.1 | 158.5 | 168.7 | -70.9 | 172.3 | 0 | 0 | 0 | 112.1 | W498 A501 E502 W542 G544 Y615 Q618 | W498-L520 HydrophobicContact CD2-CD1 4.12Å; W498-L520 HydrophobicContact CG-CD1 4.09Å; W498-L520 HydrophobicContact CZ2-CD1 4.31Å; A501-L520 HydrophobicContact CB-CD1 4.38Å; A501-L520 HydrophobicContact CB-CD2 4.25Å; E502-L520 HydrophobicContact CB-CD1 3.9Å; E502-L520 HydrophobicContact CB-CG 4.24Å; E502-L520 VanDerWaalsContact OE2-CB 3.3Å; E502-L520 WeakPolarHBondContact OE2-CB 3.42Å; E502-L520 WeakPolarHBondContact OE2-CG 3.3Å; E502-L520 PolarHBondContact OE2-N 2.79Å; L520-W542 HydrophobicContact CD1-CB 4.22Å; L520-W542 HydrophobicContact CD2-CB 4.19Å; L520-G544 VanDerWaalsContact CB-CA 3.49Å; L520-Y615 HydrophobicContact CD2-CD2 4.16Å; L520-Y615 HydrophobicContact CD2-CG 4.27Å; L520-Q618 WeakPolarHBondContact O-CG 3.39Å; L520-Q618 PolarHBondContact O-NE2 3.43Å |
| 521 | P | 89.4 | Confident | 65.7 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -70.3 | 134.6 | -164.7 | -20.4 | 34.2 | 0 | 0 | 0 | 114.4 | F488 I532 W542 L543 G544 W566 F616 | F488-P521 HydrophobicContact CE1-CB 4.28Å; P521-I532 HydrophobicContact CB-CD1 4.49Å; P521-W542 WeakPolarHBondContact CD-O 3.3Å; P521-L543 HydrophobicContact CB-CD2 4.49Å; P521-G544 PolarHBondContact O-N 3.27Å; P521-W566 WeakPolarHBondContact O-CZ3 3.31Å; P521-F616 HydrophobicContact CB-CE2 3.88Å; P521-F616 HydrophobicContact CB-CZ 4.1Å; P521-F616 VanDerWaalsContact CD-O 3.31Å; P521-F616 WeakPolarHBondContact CD-O 3.44Å; P521-F616 HydrophobicContact CG-CD1 4.47Å; P521-F616 HydrophobicContact CG-CD2 3.72Å; P521-F616 HydrophobicContact CG-CE1 4.13Å; P521-F616 HydrophobicContact CG-CE2 3.31Å; P521-F616 HydrophobicContact CG-CG 4.27Å; P521-F616 HydrophobicContact CG-CZ 3.52Å; P521-F616 VanDerWaalsContact CG-O 3.31Å; P521-F616 WeakPolarHBondContact CG-O 3.38Å | ||
| 522 | S | 84.9 | Confident | 67.6 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -105.8 | 150.9 | 170.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | K486 H524 D568 S570 Q618 | K486-S522 PolarHBondContact NZ-O 2.84Å; K486-S522 PolarHBondContact NZ-OG 3.24Å; S522-H524 PolarHBondContact OG-NE2 2.76Å; S522-D568 WeakPolarHBondContact CB-OD2 3.27Å; S522-D568 PolarHBondContact OG-OD2 3.24Å; S522-S570 VanDerWaalsContact CB-OG 3.32Å; S522-S570 WeakPolarHBondContact CB-OG 3.13Å; S522-S570 PolarHBondContact OG-OG 3.21Å; S522-Q618 VanDerWaalsContact N-OE1 3.15Å; S522-Q618 PolarHBondContact OG-NE2 3.36Å; S522-Q618 PolarHBondContact OG-OE1 2.95Å; S522-Q618 VanDerWaalsContact OG-OE1 3.14Å | ||
| 523 | V | 80.4 | Confident | 69.1 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -138.2 | 109.3 | -168.6 | -163.6 | 0 | 0 | 0 | 0 | 111.7 | E528 L529 I532 L543 W566 Y574 W604 | V523-E528 HydrophobicContact CG1-CB 4.39Å; V523-E528 HydrophobicContact CG1-CG 4.32Å; V523-L529 HydrophobicContact CG1-CB 3.72Å; V523-L529 HydrophobicContact CG1-CD1 4.24Å; V523-I532 HydrophobicContact CG2-CD1 3.91Å; V523-L543 HydrophobicContact CG2-CD2 4.19Å; V523-W566 HydrophobicContact CB-CH2 3.65Å; V523-W566 HydrophobicContact CB-CZ2 3.92Å; V523-W566 HydrophobicContact CB-CZ3 4.48Å; V523-W566 HydrophobicContact CG2-CH2 3.66Å; V523-W566 HydrophobicContact CG2-CZ2 4.41Å; V523-W566 HydrophobicContact CG2-CZ3 4.09Å; V523-W566 VanDerWaalsContact N-CZ2 3.31Å; V523-W566 VanDerWaalsContact O-CZ2 3.23Å; V523-W566 WeakPolarHBondContact O-CZ2 3.3Å; V523-Y574 HydrophobicContact CG1-CD1 4.01Å; V523-Y574 HydrophobicContact CG1-CE1 4.13Å; V523-W604 HydrophobicContact CB-CH2 4.24Å; V523-W604 HydrophobicContact CB-CZ2 3.85Å; V523-W604 HydrophobicContact CG1-CZ2 4.03Å; V523-W604 HydrophobicContact CG2-CZ2 4.33Å | ||
| 524 | H | 69.7 | Low | 70.6 | Confident | 46 Ų | 46 | 39.6 Ų | 39.6 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | trans | -108.2 | -2.6 | -172.5 | -55.6 | -68.4 | 0 | 0 | 0 | 114.1 | S522 E528 W566 S570 P571 D573 Y574 | S522-H524 PolarHBondContact OG-NE2 2.76Å; H524-E528 WeakPolarHBondContact CB-OE2 3.14Å; H524-E528 IonicContact CD2-OE2 2.73Å; H524-E528 PolarHBondContact CD2-OE2 3.48Å; H524-E528 IonicContact CG-OE2 3.69Å; H524-E528 PolarHBondContact N-OE2 3.44Å; H524-W566 AromaticContact CE1-CD1 3.89Å; H524-W566 AromaticContact CE1-NE1 3.82Å; H524-S570 VanDerWaalsContact CE1-CB 3.49Å; H524-S570 WeakPolarHBondContact CE1-CB 3.46Å; H524-S570 PolarHBondContact CE1-OG 2.84Å; H524-S570 PolarHBondContact NE2-OG 2.83Å; H524-P571 PolarHBondContact CE1-O 3.37Å; H524-P571 PolarHBondContact ND1-O 2.65Å; H524-P571 VanDerWaalsContact ND1-O 3.12Å; H524-D573 WeakPolarHBondContact CA-OD1 3.28Å; H524-D573 WeakPolarHBondContact CB-OD1 3.44Å; H524-D573 IonicContact CG-OD1 3.79Å; H524-D573 IonicContact ND1-OD1 3.62Å; H524-D573 PolarHBondContact ND1-OD1 2.72Å; H524-D573 IonicContact ND1-OD2 3.66Å; H524-Y574 WeakPolarHBondContact O-CB 3.28Å | ||
| 525 | S | 60.1 | Low | 72.4 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -156.1 | 158.8 | 178.9 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | S527 E528 L529 | S525-S527 VanDerWaalsContact C-N 3.25Å; S525-S527 PolarHBondContact O-N 3.3Å; S525-E528 PolarHBondContact O-N 2.75Å; S525-E528 VanDerWaalsContact OG-CB 3.23Å; S525-E528 WeakPolarHBondContact OG-CB 3.45Å; S525-E528 PolarHBondContact OG-N 2.87Å; S525-L529 PolarHBondContact O-N 2.87Å |
| 526 | P | 56.1 | Low | 74.1 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 48% | 0.481 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.4 | -36.7 | 169.8 | -23.4 | 32.7 | 0 | 0 | 0 | 113 | L529 T530 Y574 | P526-L529 PolarHBondContact O-N 3.19Å; P526-T530 WeakPolarHBondContact O-CB 3.36Å; P526-T530 PolarHBondContact O-N 3.34Å; P526-T530 PolarHBondContact O-OG1 2.96Å; P526-Y574 HydrophobicContact CB-CE2 4.49Å; P526-Y574 HydrophobicContact CG-CD2 4.28Å; P526-Y574 HydrophobicContact CG-CE2 3.68Å |
| 527 | S | 54.9 | Low | 74.7 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70 | -36.6 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | S525 T530 F531 T757 | S525-S527 VanDerWaalsContact C-N 3.25Å; S525-S527 PolarHBondContact O-N 3.3Å; S527-T530 PolarHBondContact O-N 2.98Å; S527-F531 PolarHBondContact O-N 2.79Å; S527-T757 PolarHBondContact OG-O 2.86Å |
| 528 | E | 70.3 | Confident | 74.7 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 171 | -175.6 | 170.6 | -148.1 | 0 | 0 | 111.8 | Y483 K486 V523 H524 S525 T530 F531 I532 | Y483-E528 HydrophobicContact CE1-CB 3.97Å; Y483-E528 HydrophobicContact CE1-CG 3.92Å; Y483-E528 PolarHBondContact OH-N 3.11Å; K486-E528 WeakPolarHBondContact CD-OE1 3.34Å; K486-E528 WeakPolarHBondContact CE-OE1 3.29Å; K486-E528 IonicContact NZ-OE1 3.1Å; K486-E528 PolarHBondContact NZ-OE1 2.98Å; K486-E528 IonicContact NZ-OE2 2.72Å; V523-E528 HydrophobicContact CG1-CB 4.39Å; V523-E528 HydrophobicContact CG1-CG 4.32Å; H524-E528 WeakPolarHBondContact CB-OE2 3.14Å; H524-E528 IonicContact CD2-OE2 2.73Å; H524-E528 PolarHBondContact CD2-OE2 3.48Å; H524-E528 IonicContact CG-OE2 3.69Å; H524-E528 PolarHBondContact N-OE2 3.44Å; S525-E528 PolarHBondContact O-N 2.75Å; S525-E528 VanDerWaalsContact OG-CB 3.23Å; S525-E528 WeakPolarHBondContact OG-CB 3.45Å; S525-E528 PolarHBondContact OG-N 2.87Å; E528-T530 VanDerWaalsContact C-N 3.29Å; E528-T530 PolarHBondContact O-N 3.03Å; E528-F531 PolarHBondContact O-N 3.21Å; E528-I532 HydrophobicContact CG-CD1 3.76Å; E528-I532 HydrophobicContact CG-CG1 4.43Å; E528-I532 VanDerWaalsContact O-CB 3.24Å; E528-I532 WeakPolarHBondContact O-CB 3.41Å; E528-I532 WeakPolarHBondContact O-CG1 3.43Å; E528-I532 PolarHBondContact O-N 2.86Å |
| 529 | L | 76.3 | Confident | 74.5 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 171.7 | -174.6 | 57.3 | 0 | 0 | 0 | 111.6 | V523 S525 P526 I532 S533 Y574 H602 | V523-L529 HydrophobicContact CG1-CB 3.72Å; V523-L529 HydrophobicContact CG1-CD1 4.24Å; S525-L529 PolarHBondContact O-N 2.87Å; P526-L529 PolarHBondContact O-N 3.19Å; L529-I532 PolarHBondContact O-N 3.33Å; L529-S533 VanDerWaalsContact O-CB 3.31Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.38Å; L529-S533 PolarHBondContact O-OG 2.97Å; L529-Y574 HydrophobicContact CB-CE1 4.02Å; L529-Y574 HydrophobicContact CD2-CE1 4.02Å; L529-Y574 WeakPolarHBondContact CD2-OH 3.3Å; L529-H602 HydrophobicContact CD2-CB 4.48Å; L529-H602 HydrophobicContact CG-CB 4.4Å |
| 530 | T | 70.5 | Confident | 74.3 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.1 | -27.5 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 112.7 | P526 S527 E528 S533 K534 E758 | P526-T530 WeakPolarHBondContact O-CB 3.36Å; P526-T530 PolarHBondContact O-N 3.34Å; P526-T530 PolarHBondContact O-OG1 2.96Å; S527-T530 PolarHBondContact O-N 2.98Å; E528-T530 VanDerWaalsContact C-N 3.29Å; E528-T530 PolarHBondContact O-N 3.03Å; T530-S533 WeakPolarHBondContact CA-OG 3.26Å; T530-S533 PolarHBondContact O-OG 2.87Å; T530-K534 WeakPolarHBondContact O-CD 3.43Å; T530-K534 WeakPolarHBondContact O-CE 3.39Å; T530-K534 WeakPolarHBondContact O-CG 3.45Å; T530-E758 WeakPolarHBondContact CG2-OE1 3.28Å |
| 531 | F | 78.1 | Confident | 74.2 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.4 | -49.2 | 168.7 | 170 | -97.2 | 0 | 0 | 0 | 110.8 | I481 Y483 F488 S527 E528 S533 K534 L535 | I481-F531 HydrophobicContact CG2-CZ 3.99Å; Y483-F531 AromaticContact CD1-CD1 3.82Å; Y483-F531 HydrophobicContact CD1-CD1 3.82Å; Y483-F531 HydrophobicContact CD1-CE1 4.35Å; Y483-F531 HydrophobicContact CD1-CG 4.21Å; Y483-F531 HydrophobicContact CD2-CB 3.89Å; Y483-F531 AromaticContact CD2-CD1 3.75Å; Y483-F531 HydrophobicContact CD2-CD1 3.75Å; Y483-F531 AromaticContact CD2-CD2 3.52Å; Y483-F531 HydrophobicContact CD2-CD2 3.52Å; Y483-F531 HydrophobicContact CD2-CE1 4.23Å; Y483-F531 HydrophobicContact CD2-CE2 4.02Å; Y483-F531 AromaticContact CD2-CG 3.38Å; Y483-F531 HydrophobicContact CD2-CG 3.38Å; Y483-F531 HydrophobicContact CD2-CZ 4.36Å; Y483-F531 HydrophobicContact CE1-CB 4.39Å; Y483-F531 HydrophobicContact CE1-CD1 4.39Å; Y483-F531 HydrophobicContact CE1-CG 4.49Å; Y483-F531 HydrophobicContact CE2-CB 3.66Å; Y483-F531 HydrophobicContact CE2-CD1 4.32Å; Y483-F531 HydrophobicContact CE2-CD2 4.07Å; Y483-F531 AromaticContact CE2-CG 3.72Å; Y483-F531 HydrophobicContact CE2-CG 3.72Å; Y483-F531 HydrophobicContact CG-CB 4.35Å; Y483-F531 AromaticContact CG-CD1 3.46Å; Y483-F531 HydrophobicContact CG-CD1 3.46Å; Y483-F531 VanDerWaalsContact CG-CD1 3.46Å; Y483-F531 HydrophobicContact CG-CD2 4.06Å; Y483-F531 AromaticContact CG-CE1 3.75Å; Y483-F531 HydrophobicContact CG-CE1 3.75Å; Y483-F531 HydrophobicContact CG-CE2 4.3Å; Y483-F531 AromaticContact CG-CG 3.65Å; Y483-F531 HydrophobicContact CG-CG 3.65Å; Y483-F531 HydrophobicContact CG-CZ 4.17Å; F488-F531 AromaticContact CD2-CE1 3.73Å; F488-F531 HydrophobicContact CD2-CE1 3.73Å; F488-F531 HydrophobicContact CE2-CD1 4.34Å; F488-F531 AromaticContact CE2-CE1 3.83Å; F488-F531 HydrophobicContact CE2-CE1 3.83Å; S527-F531 PolarHBondContact O-N 2.79Å; E528-F531 PolarHBondContact O-N 3.21Å; F531-S533 VanDerWaalsContact C-N 3.27Å; F531-S533 PolarHBondContact O-N 3.11Å; F531-K534 WeakPolarHBondContact O-CB 3.2Å; F531-K534 PolarHBondContact O-N 2.88Å; F531-L535 HydrophobicContact CE1-CD1 3.86Å; F531-L535 HydrophobicContact CE1-CD2 4.2Å; F531-L535 HydrophobicContact CE1-CG 4.14Å; F531-L535 HydrophobicContact CZ-CD1 4.37Å; F531-L535 HydrophobicContact CZ-CD2 3.88Å; F531-L535 HydrophobicContact CZ-CG 4.29Å |
| 532 | I | 79.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 179.9 | -80.3 | 171.8 | 0 | 0 | 0 | 110.7 | F488 P521 V523 E528 L529 K534 L535 Y536 F616 | F488-I532 HydrophobicContact CE1-CD1 3.88Å; F488-I532 HydrophobicContact CE1-CG1 4.07Å; F488-I532 HydrophobicContact CZ-CD1 3.91Å; F488-I532 HydrophobicContact CZ-CG1 4.07Å; P521-I532 HydrophobicContact CB-CD1 4.49Å; V523-I532 HydrophobicContact CG2-CD1 3.91Å; E528-I532 HydrophobicContact CG-CD1 3.76Å; E528-I532 HydrophobicContact CG-CG1 4.43Å; E528-I532 VanDerWaalsContact O-CB 3.24Å; E528-I532 WeakPolarHBondContact O-CB 3.41Å; E528-I532 WeakPolarHBondContact O-CG1 3.43Å; E528-I532 PolarHBondContact O-N 2.86Å; L529-I532 PolarHBondContact O-N 3.33Å; I532-K534 PolarHBondContact O-N 2.92Å; I532-L535 HydrophobicContact CG1-CD1 4.46Å; I532-L535 VanDerWaalsContact O-CB 3.3Å; I532-L535 WeakPolarHBondContact O-CB 3.33Å; I532-L535 PolarHBondContact O-N 2.87Å; I532-Y536 HydrophobicContact CG2-CD1 4.4Å; I532-Y536 HydrophobicContact CG2-CE1 3.66Å; I532-Y536 WeakPolarHBondContact O-CD1 3.41Å; I532-Y536 WeakPolarHBondContact O-CE1 3.4Å; I532-F616 HydrophobicContact CG2-CZ 3.93Å |
| 533 | S | 76.7 | Confident | 74.7 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -3 | 174.1 | 72.2 | 0 | 0 | 0 | 0 | 116 | L529 T530 F531 Y536 H602 | L529-S533 VanDerWaalsContact O-CB 3.31Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.38Å; L529-S533 PolarHBondContact O-OG 2.97Å; T530-S533 WeakPolarHBondContact CA-OG 3.26Å; T530-S533 PolarHBondContact O-OG 2.87Å; F531-S533 VanDerWaalsContact C-N 3.27Å; F531-S533 PolarHBondContact O-N 3.11Å; S533-Y536 VanDerWaalsContact CA-CE1 3.5Å; S533-Y536 WeakPolarHBondContact CB-OH 3.44Å; S533-H602 WeakPolarHBondContact CB-ND1 3.36Å |
| 534 | K | 77.2 | Confident | 75.1 | Confident | 110 Ų | 110 | 36.8 Ų | 36.8 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -93.9 | -15.5 | 166.4 | -63.4 | 162.5 | -169.5 | 168.3 | 0 | 112.3 | T530 F531 I532 E758 | T530-K534 WeakPolarHBondContact O-CD 3.43Å; T530-K534 WeakPolarHBondContact O-CE 3.39Å; T530-K534 WeakPolarHBondContact O-CG 3.45Å; F531-K534 WeakPolarHBondContact O-CB 3.2Å; F531-K534 PolarHBondContact O-N 2.88Å; I532-K534 PolarHBondContact O-N 2.92Å; K534-E758 IonicContact NZ-OE1 3.68Å; K534-E758 PolarHBondContact NZ-OE1 2.95Å; K534-E758 IonicContact NZ-OE2 2.71Å; K534-E758 PolarHBondContact NZ-OE2 2.74Å |
| 535 | L | 78.2 | Confident | 75.9 | Confident | 35 Ų | 35 | 34.6 Ų | 34.6 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75.8 | -32.2 | 173.7 | -57.8 | 177.8 | 0 | 0 | 0 | 111.5 | I481 F488 I491 F531 I532 F616 | I481-L535 HydrophobicContact CB-CD2 4.45Å; I481-L535 HydrophobicContact CD1-CD2 3.82Å; I481-L535 HydrophobicContact CG2-CD2 4.35Å; F488-L535 HydrophobicContact CB-CD1 3.67Å; F488-L535 HydrophobicContact CD1-CD1 4.13Å; F488-L535 HydrophobicContact CD2-CD1 4.32Å; F488-L535 HydrophobicContact CG-CD1 3.79Å; I491-L535 WeakPolarHBondContact CD1-O 3.37Å; F531-L535 HydrophobicContact CE1-CD1 3.86Å; F531-L535 HydrophobicContact CE1-CD2 4.2Å; F531-L535 HydrophobicContact CE1-CG 4.14Å; F531-L535 HydrophobicContact CZ-CD1 4.37Å; F531-L535 HydrophobicContact CZ-CD2 3.88Å; F531-L535 HydrophobicContact CZ-CG 4.29Å; I532-L535 HydrophobicContact CG1-CD1 4.46Å; I532-L535 VanDerWaalsContact O-CB 3.3Å; I532-L535 WeakPolarHBondContact O-CB 3.33Å; I532-L535 PolarHBondContact O-N 2.87Å; L535-F616 HydrophobicContact CD1-CD2 4.04Å; L535-F616 HydrophobicContact CD1-CE2 3.58Å; L535-F616 HydrophobicContact CD1-CZ 4.15Å |
| 536 | Y | 76.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | trans | -123 | 123.9 | 175.6 | 66.3 | -83 | 0 | 0 | 0 | 111.5 | I532 S533 V539 V541 S597 F616 | I532-Y536 HydrophobicContact CG2-CD1 4.4Å; I532-Y536 HydrophobicContact CG2-CE1 3.66Å; I532-Y536 WeakPolarHBondContact O-CD1 3.41Å; I532-Y536 WeakPolarHBondContact O-CE1 3.4Å; S533-Y536 VanDerWaalsContact CA-CE1 3.5Å; S533-Y536 WeakPolarHBondContact CB-OH 3.44Å; Y536-V539 VanDerWaalsContact CD2-O 3.27Å; Y536-V539 WeakPolarHBondContact CD2-O 3.17Å; Y536-V541 HydrophobicContact CD1-CB 4.45Å; Y536-V541 HydrophobicContact CD1-CG1 4.19Å; Y536-V541 HydrophobicContact CD1-CG2 3.48Å; Y536-V541 VanDerWaalsContact CD1-CG2 3.48Å; Y536-V541 HydrophobicContact CD2-CG1 4.17Å; Y536-V541 HydrophobicContact CD2-CG2 3.77Å; Y536-V541 HydrophobicContact CE1-CG2 3.65Å; Y536-V541 HydrophobicContact CE2-CG2 3.96Å; Y536-V541 HydrophobicContact CG-CB 4.29Å; Y536-V541 HydrophobicContact CG-CG1 3.69Å; Y536-V541 HydrophobicContact CG-CG2 3.58Å; Y536-S597 WeakPolarHBondContact OH-CB 3.29Å; Y536-S597 PolarHBondContact OH-OG 2.9Å; Y536-F616 AromaticContact CD1-CE1 3.97Å; Y536-F616 HydrophobicContact CD1-CE1 3.97Å; Y536-F616 HydrophobicContact CD1-CZ 4.3Å | ||
| 537 | T | 64 | Low | 77.6 | Confident | 105 Ų | 105 | 31 Ų | 31 | 64% | 0.644 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -117.4 | 143.3 | 168.8 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | V539 | T537-V539 PolarHBondContact O-N 3.03Š|
| 538 | E | 65.1 | Low | 77.7 | Confident | 122 Ų | 122 | 34.4 Ų | 34.4 | 57% | 0.57 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 62.1 | -13 | 178.8 | -49.1 | -156.4 | 123.1 | 0 | 0 | 118 | ||
| 539 | V | 77.2 | Confident | 77 | Confident | 50 Ų | 50 | 34 Ų | 34 | 30% | 0.303 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -111.5 | 137 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | I491 Y536 T537 V541 L614 | I491-V539 HydrophobicContact CD1-CG2 4.26Å; Y536-V539 VanDerWaalsContact CD2-O 3.27Å; Y536-V539 WeakPolarHBondContact CD2-O 3.17Å; T537-V539 PolarHBondContact O-N 3.03Å; V539-V541 HydrophobicContact CG2-CG1 4.2Å; V539-L614 HydrophobicContact CB-CD1 3.95Å; V539-L614 HydrophobicContact CG1-CD1 3.87Å; V539-L614 HydrophobicContact CG2-CD1 4.03Å |
| 540 | N | 84 | Confident | 75.4 | Confident | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | trans | -78.4 | 123.3 | 172.7 | -66.1 | -7.5 | 0 | 0 | 0 | 109.1 | I596 H598 S599 | N540-I596 HydrophobicContact CB-CD1 4.01Å; N540-H598 PolarHBondContact OD1-CD2 2.84Å; N540-S599 WeakPolarHBondContact OD1-CB 3.06Å; N540-S599 PolarHBondContact OD1-N 2.62Å; N540-S599 PolarHBondContact OD1-OG 2.91Å; N540-S599 VanDerWaalsContact OD1-OG 3.09Å | ||
| 541 | V | 89.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.7 | -174.7 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | I491 Y536 V539 I596 S597 L614 F616 | I491-V541 HydrophobicContact CD1-CG1 4.37Å; Y536-V541 HydrophobicContact CD1-CB 4.45Å; Y536-V541 HydrophobicContact CD1-CG1 4.19Å; Y536-V541 HydrophobicContact CD1-CG2 3.48Å; Y536-V541 VanDerWaalsContact CD1-CG2 3.48Å; Y536-V541 HydrophobicContact CD2-CG1 4.17Å; Y536-V541 HydrophobicContact CD2-CG2 3.77Å; Y536-V541 HydrophobicContact CE1-CG2 3.65Å; Y536-V541 HydrophobicContact CE2-CG2 3.96Å; Y536-V541 HydrophobicContact CG-CB 4.29Å; Y536-V541 HydrophobicContact CG-CG1 3.69Å; Y536-V541 HydrophobicContact CG-CG2 3.58Å; V539-V541 HydrophobicContact CG2-CG1 4.2Å; V541-I596 WeakPolarHBondContact O-CA 3.43Å; V541-I596 WeakPolarHBondContact O-CB 3.31Å; V541-S597 PolarHBondContact O-N 3.32Å; V541-S597 VanDerWaalsContact O-N 3.12Å; V541-L614 VanDerWaalsContact CA-O 3.28Å; V541-L614 WeakPolarHBondContact CA-O 3.41Å; V541-F616 HydrophobicContact CB-CE1 4.08Å; V541-F616 HydrophobicContact CG1-CD1 4.36Å; V541-F616 HydrophobicContact CG1-CE1 4.12Å; V541-F616 HydrophobicContact CG2-CE1 4.02Å |
| 542 | W | 93.2 | Very high | 71.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.3 | 168.1 | -77.3 | 133.3 | 0 | 0 | 0 | 111.8 | L496 W498 L520 P521 C594 I596 V607 S611 H613 L614 | L496-W542 PolarHBondContact O-NE1 2.89Å; W498-W542 HydrophobicContact CB-CD2 4.06Å; W498-W542 HydrophobicContact CB-CE3 4.36Å; W498-W542 HydrophobicContact CB-CH2 4.05Å; W498-W542 HydrophobicContact CB-CZ2 3.7Å; W498-W542 HydrophobicContact CB-CZ3 4.37Å; W498-W542 AromaticContact CD1-CD2 3.67Å; W498-W542 AromaticContact CD1-CE3 3.58Å; W498-W542 HydrophobicContact CG-CD2 4.29Å; W498-W542 HydrophobicContact CG-CE3 4.37Å; L520-W542 HydrophobicContact CD1-CB 4.22Å; L520-W542 HydrophobicContact CD2-CB 4.19Å; P521-W542 WeakPolarHBondContact CD-O 3.3Å; W542-C594 HydrophobicContact CE3-CB 4.13Å; W542-C594 HydrophobicContact CH2-CB 3.82Å; W542-C594 HydrophobicContact CZ3-CB 3.4Å; W542-C594 VanDerWaalsContact CZ3-CB 3.4Å; W542-I596 HydrophobicContact CD2-CG2 4.28Å; W542-I596 HydrophobicContact CE3-CG2 3.63Å; W542-I596 HydrophobicContact CZ3-CG2 3.86Å; W542-V607 HydrophobicContact CE3-CG2 4.49Å; W542-V607 HydrophobicContact CH2-CG2 3.56Å; W542-V607 HydrophobicContact CZ3-CG2 3.4Å; W542-S611 WeakPolarHBondContact CH2-OG 3.28Å; W542-S611 WeakPolarHBondContact CZ2-O 3.16Å; W542-S611 WeakPolarHBondContact CZ2-OG 3.5Å; W542-H613 HydrophobicContact CD2-CB 4.05Å; W542-H613 AromaticContact CE2-CD2 3.87Å; W542-H613 HydrophobicContact CG-CB 4.04Å; W542-H613 AromaticContact CH2-CD2 3.92Å; W542-H613 AromaticContact CZ2-CD2 3.7Å; W542-L614 PolarHBondContact N-O 2.99Å |
| 543 | L | 91.7 | Very high | 69.8 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 157.3 | 162.7 | -66.6 | -179.3 | 0 | 0 | 0 | 110.1 | W498 P521 V523 L545 W566 F595 W604 | W498-L543 PolarHBondContact NE1-O 3.33Å; P521-L543 HydrophobicContact CB-CD2 4.49Å; V523-L543 HydrophobicContact CG2-CD2 4.19Å; L543-L545 HydrophobicContact CB-CB 4.44Å; L543-L545 PolarHBondContact O-N 2.73Å; L543-W566 HydrophobicContact CB-CZ3 4.21Å; L543-F595 HydrophobicContact CB-CB 4.44Å; L543-F595 HydrophobicContact CD1-CB 4.45Å; L543-F595 PolarHBondContact N-O 2.81Å; L543-W604 HydrophobicContact CD1-CD2 4.06Å; L543-W604 HydrophobicContact CD1-CG 3.86Å |
| 544 | G | 88.4 | Confident | 67.8 | Low | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -3.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L520 P521 Q546 W566 S567 | L520-G544 VanDerWaalsContact CB-CA 3.49Å; P521-G544 PolarHBondContact O-N 3.27Å; G544-Q546 PolarHBondContact O-N 3.3Å; G544-W566 CarbonylContact O-C 3.59Å; G544-W566 WeakPolarHBondContact O-CA 3.45Å; G544-S567 WeakPolarHBondContact CA-OG 3.38Å; G544-S567 PolarHBondContact O-N 2.85Å |
| 545 | L | 86.8 | Confident | 66 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.3 | 179.2 | -164.7 | 65.4 | 0 | 0 | 0 | 110 | L543 L564 Y565 W566 V572 F577 F595 W604 | L543-L545 HydrophobicContact CB-CB 4.44Å; L543-L545 PolarHBondContact O-N 2.73Å; L545-L564 HydrophobicContact CD1-CB 4.27Å; L545-L564 HydrophobicContact CD1-CD2 4.39Å; L545-L564 HydrophobicContact CD2-CD2 4.27Å; L545-L564 HydrophobicContact CG-CD2 4.22Å; L545-Y565 WeakPolarHBondContact CA-O 3.34Å; L545-W566 HydrophobicContact CB-CD2 4.34Å; L545-W566 HydrophobicContact CB-CE3 3.64Å; L545-W566 HydrophobicContact CB-CH2 4.05Å; L545-W566 HydrophobicContact CB-CZ3 3.51Å; L545-W566 HydrophobicContact CD1-CD2 3.88Å; L545-W566 HydrophobicContact CD1-CE3 4.06Å; L545-W566 HydrophobicContact CD1-CG 4.44Å; L545-W566 HydrophobicContact CD1-CH2 4.32Å; L545-W566 HydrophobicContact CD1-CZ2 4.14Å; L545-W566 HydrophobicContact CD1-CZ3 4.31Å; L545-W566 HydrophobicContact CD2-CH2 4.38Å; L545-W566 HydrophobicContact CG-CE3 4.43Å; L545-W566 HydrophobicContact CG-CH2 4.5Å; L545-W566 HydrophobicContact CG-CZ3 4.37Å; L545-W566 VanDerWaalsContact N-CE3 3.3Å; L545-V572 HydrophobicContact CD1-CG2 4.14Å; L545-F577 HydrophobicContact CD2-CE1 4.03Å; L545-F577 HydrophobicContact CD2-CZ 4.29Å; L545-F595 HydrophobicContact CB-CB 4.14Å; L545-F595 HydrophobicContact CB-CD2 3.77Å; L545-F595 HydrophobicContact CB-CG 4.25Å; L545-F595 HydrophobicContact CD2-CB 4.43Å; L545-F595 HydrophobicContact CD2-CD1 4.5Å; L545-F595 HydrophobicContact CD2-CD2 3.56Å; L545-F595 HydrophobicContact CD2-CE2 3.87Å; L545-F595 HydrophobicContact CD2-CG 3.9Å; L545-F595 HydrophobicContact CD2-CZ 4.48Å; L545-F595 HydrophobicContact CG-CD2 3.55Å; L545-F595 HydrophobicContact CG-CE2 3.95Å; L545-F595 HydrophobicContact CG-CG 4.27Å; L545-F595 WeakPolarHBondContact O-CD2 3.24Å; L545-F595 PolarHBondContact O-N 3.17Å; L545-W604 HydrophobicContact CD2-CE3 3.59Å; L545-W604 HydrophobicContact CD2-CZ3 3.78Å |
| 546 | Q | 79.2 | Confident | 64.2 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.8 | 176.8 | -170.8 | 166 | 61.2 | 0 | 0 | 111.2 | W498 G544 Y565 R593 C594 | W498-Q546 VanDerWaalsContact CE3-NE2 3.33Å; W498-Q546 HydrophobicContact CH2-CB 4.24Å; W498-Q546 HydrophobicContact CH2-CG 4.47Å; W498-Q546 VanDerWaalsContact CH2-OE1 3.31Å; W498-Q546 HydrophobicContact CZ2-CB 4Å; G544-Q546 PolarHBondContact O-N 3.3Å; Q546-Y565 HydrophobicContact CB-CE1 3.98Å; Q546-Y565 HydrophobicContact CG-CE1 4.27Å; Q546-Y565 PolarHBondContact N-O 3.04Å; Q546-Y565 VanDerWaalsContact O-CD1 3.27Å; Q546-Y565 WeakPolarHBondContact O-CD1 3.28Å; Q546-Y565 PolarHBondContact O-N 3.07Å; Q546-Y565 PolarHBondContact OE1-OH 3.35Å; Q546-R593 WeakPolarHBondContact CA-O 3.44Å; Q546-C594 PolarHBondContact NE2-SG 2.56Å |
| 547 | I | 72.2 | Confident | 62.2 | Low | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111 | 169.4 | -55.2 | -179 | 0 | 0 | 0 | 109 | H549 S562 L564 P582 R584 R593 F595 | I547-H549 WeakPolarHBondContact CG2-NE2 3.46Å; I547-H549 PolarHBondContact O-N 3.24Å; I547-S562 VanDerWaalsContact CG2-CB 3.49Å; I547-L564 HydrophobicContact CG1-CD2 4.07Å; I547-P582 HydrophobicContact CD1-CB 4.5Å; I547-R584 HydrophobicContact CD1-CG 4.28Å; I547-R593 PolarHBondContact N-O 3.44Å; I547-F595 HydrophobicContact CD1-CE2 4.14Å; I547-F595 HydrophobicContact CD1-CZ 4.03Å; I547-F595 HydrophobicContact CG1-CE2 3.67Å; I547-F595 HydrophobicContact CG1-CZ 4.06Å |
| 548 | H | 58.5 | Low | 60.8 | Low | 94 Ų | 94 | 54.3 Ų | 54.3 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 113.5 | 166 | -157.2 | 81.7 | 0 | 0 | 0 | 108.6 | S562 S563 Y565 | H548-S562 WeakPolarHBondContact O-CA 3.38Å; H548-S563 WeakPolarHBondContact CB-OG 3.36Å; H548-S563 PolarHBondContact N-O 3.16Å; H548-S563 PolarHBondContact O-N 2.91Å; H548-S563 VanDerWaalsContact O-N 3.13Å; H548-Y565 HydrophobicContact CB-CD1 3.96Å; H548-Y565 HydrophobicContact CB-CE1 3.53Å |
| 549 | H | 55 | Low | 59.6 | Low | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.2 | 164.2 | -69.1 | -89.8 | 0 | 0 | 0 | 109.2 | I547 F551 A558 R593 | I547-H549 WeakPolarHBondContact CG2-NE2 3.46Å; I547-H549 PolarHBondContact O-N 3.24Å; H549-F551 PolarHBondContact O-N 3.44Å; H549-A558 PolarHBondContact ND1-O 2.88Å; H549-R593 PolarHBondContact CD2-NE 3.1Å |
| 550 | E | 41.8 | Very low | 57.8 | Low | 64 Ų | 64 | 54 Ų | 54 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -59.9 | 106.7 | 165.3 | -168.7 | 171.9 | -97.4 | 0 | 0 | 108.1 | Y256 T552 K561 | Y256-E550 PolarHBondContact OH-OE1 3.45Å; Y256-E550 PolarHBondContact OH-OE2 2.82Å; E550-T552 PolarHBondContact O-N 3.4Å; E550-K561 HydrophobicContact CB-CB 4.34Å; E550-K561 WeakPolarHBondContact OE2-CD 3.02Å; E550-K561 IonicContact OE2-NZ 2.95Å; E550-K561 PolarHBondContact OE2-NZ 3.04Å | ||
| 551 | F | 37.3 | Very low | 55.8 | Low | 174 Ų | 174 | 54 Ų | 54 | 76% | 0.763 | 26% | 0.262 | S | S | * | . | trans | -65.2 | 97.9 | -171.8 | -89.9 | -91.5 | 0 | 0 | 0 | 111.2 | H549 | H549-F551 PolarHBondContact O-N 3.44Š| ||
| 552 | T | 33.3 | Very low | 53.8 | Low | 40 Ų | 40 | 55.6 Ų | 55.6 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | trans | -103.8 | 140 | 165.2 | 73.3 | 0 | 0 | 0 | 0 | 110.2 | K258 E550 D554 | K258-T552 PolarHBondContact NZ-OG1 3.06Å; K258-T552 VanDerWaalsContact NZ-OG1 3.11Å; E550-T552 PolarHBondContact O-N 3.4Å; T552-D554 PolarHBondContact O-N 3.04Å; T552-D554 PolarHBondContact OG1-O 3.03Å | ||
| 553 | E | 41.4 | Very low | 51.9 | Low | 195 Ų | 195 | 58.2 Ų | 58.2 | 91% | 0.911 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -60.2 | -22.6 | -170.6 | -65.1 | -168 | 140 | 0 | 0 | 115.2 | ||
| 554 | D | 34 | Very low | 50.6 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93 | 128.5 | 170.2 | -178.5 | 36.8 | 0 | 0 | 0 | 113.2 | E117 T552 S556 | E117-D554 HydrophobicContact CG-CB 3.7Å; T552-D554 PolarHBondContact O-N 3.04Å; T552-D554 PolarHBondContact OG1-O 3.03Å; D554-S556 VanDerWaalsContact C-N 3.31Å; D554-S556 PolarHBondContact O-N 3.41Å; D554-S556 WeakPolarHBondContact OD2-CB 3.45Å; D554-S556 PolarHBondContact OD2-OG 3.41Å |
| 555 | R | 39.2 | Very low | 49.6 | Very low | 144 Ų | 144 | 64.1 Ų | 64.1 | 54% | 0.543 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -29 | -175.7 | -70.5 | 178.3 | 169.3 | -143.5 | -13.3 | 113.1 | L557 F586 G589 | R555-L557 PolarHBondContact O-N 2.82Å; R555-F586 HydrophobicContact CB-CZ 4.08Å; R555-F586 HydrophobicContact CG-CZ 4.28Å; R555-G589 PolarHBondContact NH1-O 2.76Å; R555-G589 PolarHBondContact NH2-O 3.18Å |
| 556 | S | 40 | Very low | 49.3 | Very low | 64 Ų | 64 | 64.1 Ų | 64.1 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.3 | -27.3 | -175.7 | 77.1 | 0 | 0 | 0 | 0 | 113.8 | D554 | D554-S556 VanDerWaalsContact C-N 3.31Å; D554-S556 PolarHBondContact O-N 3.41Å; D554-S556 WeakPolarHBondContact OD2-CB 3.45Å; D554-S556 PolarHBondContact OD2-OG 3.41Å |
| 557 | L | 35.3 | Very low | 49.3 | Very low | 47 Ų | 47 | 63.4 Ų | 63.4 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -115.2 | -18.1 | -168.3 | -78 | 149.5 | 0 | 0 | 0 | 113.7 | E117 R555 L559 N560 | E117-L557 HydrophobicContact CG-CD1 4.36Å; R555-L557 PolarHBondContact O-N 2.82Å; L557-L559 PolarHBondContact O-N 2.77Å; L557-N560 PolarHBondContact O-N 2.79Å; L557-N560 VanDerWaalsContact O-N 3.15Å |
| 558 | A | 35.4 | Very low | 49.3 | Very low | 7 Ų | 7 | 64.9 Ų | 64.9 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.7 | -32.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H549 N560 | H549-A558 PolarHBondContact ND1-O 2.88Å; A558-N560 PolarHBondContact O-N 3.2Å |
| 559 | L | 37.9 | Very low | 49.7 | Very low | 41 Ų | 41 | 69.3 Ų | 69.3 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.6 | 175.9 | -67.6 | 168.7 | 0 | 0 | 0 | 114.6 | L557 R584 F586 I591 | L557-L559 PolarHBondContact O-N 2.77Å; L559-R584 HydrophobicContact CD2-CB 4.05Å; L559-R584 PolarHBondContact O-NH1 2.85Å; L559-F586 HydrophobicContact CD1-CE2 4.34Å; L559-F586 HydrophobicContact CD2-CE2 4.4Å; L559-I591 HydrophobicContact CD2-CD1 4.41Å; L559-I591 HydrophobicContact CD2-CG2 4.25Å |
| 560 | N | 40 | Very low | 50.1 | Low | 123 Ų | 123 | 70.1 Ų | 70.1 | 66% | 0.658 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -4.1 | -172.1 | -68.7 | -22.7 | 0 | 0 | 0 | 114.6 | L557 A558 | L557-N560 PolarHBondContact O-N 2.79Å; L557-N560 VanDerWaalsContact O-N 3.15Å; A558-N560 PolarHBondContact O-N 3.2Å |
| 561 | K | 41.3 | Very low | 50.4 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 22% | 0.217 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -121 | 65.8 | 172.7 | -72.2 | -167.2 | -175.9 | -177.5 | 0 | 110.2 | Y256 P257 E550 | Y256-K561 PolarHBondContact OH-NZ 3.37Å; P257-K561 PolarHBondContact O-NZ 2.88Å; E550-K561 HydrophobicContact CB-CB 4.34Å; E550-K561 WeakPolarHBondContact OE2-CD 3.02Å; E550-K561 IonicContact OE2-NZ 2.95Å; E550-K561 PolarHBondContact OE2-NZ 3.04Å |
| 562 | S | 48.6 | Very low | 51.4 | Low | 33 Ų | 33 | 63.5 Ų | 63.5 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.4 | 176.9 | 54 | 0 | 0 | 0 | 0 | 110.3 | I547 H548 R584 | I547-S562 VanDerWaalsContact CG2-CB 3.49Å; H548-S562 WeakPolarHBondContact O-CA 3.38Å; S562-R584 VanDerWaalsContact CB-NH1 3.28Å; S562-R584 PolarHBondContact OG-NH1 3.47Å; S562-R584 PolarHBondContact OG-NH2 2.98Å; S562-R584 VanDerWaalsContact OG-NH2 3.17Å |
| 563 | S | 52.6 | Low | 52 | Low | 55 Ų | 55 | 63.5 Ų | 63.5 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.2 | 162.6 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | H548 | H548-S563 WeakPolarHBondContact CB-OG 3.36Å; H548-S563 PolarHBondContact N-O 3.16Å; H548-S563 PolarHBondContact O-N 2.91Å; H548-S563 VanDerWaalsContact O-N 3.13Å |
| 564 | L | 65.6 | Low | 52.6 | Low | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.8 | 169.6 | -67.8 | 162.7 | 0 | 0 | 0 | 109.2 | L545 I547 V572 L575 F577 F595 | L545-L564 HydrophobicContact CD1-CB 4.27Å; L545-L564 HydrophobicContact CD1-CD2 4.39Å; L545-L564 HydrophobicContact CD2-CD2 4.27Å; L545-L564 HydrophobicContact CG-CD2 4.22Å; I547-L564 HydrophobicContact CG1-CD2 4.07Å; L564-V572 HydrophobicContact CB-CG1 4.36Å; L564-V572 HydrophobicContact CB-CG2 4.33Å; L564-L575 HydrophobicContact CD1-CD2 4.09Å; L564-F577 HydrophobicContact CD1-CE2 3.97Å; L564-F577 HydrophobicContact CD1-CZ 3.63Å; L564-F577 HydrophobicContact CD2-CZ 4.05Å; L564-F595 HydrophobicContact CD2-CE2 3.54Å; L564-F595 HydrophobicContact CD2-CZ 3.89Å |
| 565 | Y | 67.6 | Low | 54 | Low | 76 Ų | 76 | 55.6 Ų | 55.6 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.9 | 172.9 | 67.8 | -73.7 | 0 | 0 | 0 | 110.1 | L545 Q546 H548 | L545-Y565 WeakPolarHBondContact CA-O 3.34Å; Q546-Y565 HydrophobicContact CB-CE1 3.98Å; Q546-Y565 HydrophobicContact CG-CE1 4.27Å; Q546-Y565 PolarHBondContact N-O 3.04Å; Q546-Y565 VanDerWaalsContact O-CD1 3.27Å; Q546-Y565 WeakPolarHBondContact O-CD1 3.28Å; Q546-Y565 PolarHBondContact O-N 3.07Å; Q546-Y565 PolarHBondContact OE1-OH 3.35Å; H548-Y565 HydrophobicContact CB-CD1 3.96Å; H548-Y565 HydrophobicContact CB-CE1 3.53Å |
| 566 | W | 79.8 | Confident | 55.5 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147.5 | 170.9 | -59.1 | 110.9 | 0 | 0 | 0 | 110.5 | P521 V523 H524 L543 G544 L545 D568 E569 S570 P571 W604 | P521-W566 WeakPolarHBondContact O-CZ3 3.31Å; V523-W566 HydrophobicContact CB-CH2 3.65Å; V523-W566 HydrophobicContact CB-CZ2 3.92Å; V523-W566 HydrophobicContact CB-CZ3 4.48Å; V523-W566 HydrophobicContact CG2-CH2 3.66Å; V523-W566 HydrophobicContact CG2-CZ2 4.41Å; V523-W566 HydrophobicContact CG2-CZ3 4.09Å; V523-W566 VanDerWaalsContact N-CZ2 3.31Å; V523-W566 VanDerWaalsContact O-CZ2 3.23Å; V523-W566 WeakPolarHBondContact O-CZ2 3.3Å; H524-W566 AromaticContact CE1-CD1 3.89Å; H524-W566 AromaticContact CE1-NE1 3.82Å; L543-W566 HydrophobicContact CB-CZ3 4.21Å; G544-W566 CarbonylContact O-C 3.59Å; G544-W566 WeakPolarHBondContact O-CA 3.45Å; L545-W566 HydrophobicContact CB-CD2 4.34Å; L545-W566 HydrophobicContact CB-CE3 3.64Å; L545-W566 HydrophobicContact CB-CH2 4.05Å; L545-W566 HydrophobicContact CB-CZ3 3.51Å; L545-W566 HydrophobicContact CD1-CD2 3.88Å; L545-W566 HydrophobicContact CD1-CE3 4.06Å; L545-W566 HydrophobicContact CD1-CG 4.44Å; L545-W566 HydrophobicContact CD1-CH2 4.32Å; L545-W566 HydrophobicContact CD1-CZ2 4.14Å; L545-W566 HydrophobicContact CD1-CZ3 4.31Å; L545-W566 HydrophobicContact CD2-CH2 4.38Å; L545-W566 HydrophobicContact CG-CE3 4.43Å; L545-W566 HydrophobicContact CG-CH2 4.5Å; L545-W566 HydrophobicContact CG-CZ3 4.37Å; L545-W566 VanDerWaalsContact N-CE3 3.3Å; W566-D568 WeakPolarHBondContact CB-OD1 3.23Å; W566-D568 PolarHBondContact O-N 3.13Å; W566-E569 PolarHBondContact O-N 3.31Å; W566-E569 VanDerWaalsContact O-N 3.07Å; W566-S570 VanDerWaalsContact CB-OG 3.29Å; W566-S570 WeakPolarHBondContact CB-OG 3.45Å; W566-P571 PolarHBondContact NE1-O 2.92Å; W566-W604 AromaticContact CH2-CH2 3.75Å; W566-W604 HydrophobicContact CH2-CH2 3.75Å; W566-W604 HydrophobicContact CH2-CZ2 4.18Å; W566-W604 AromaticContact CH2-CZ3 4Å; W566-W604 HydrophobicContact CH2-CZ3 4Å; W566-W604 AromaticContact CZ2-CH2 3.76Å; W566-W604 HydrophobicContact CZ2-CH2 3.76Å; W566-W604 HydrophobicContact CZ2-CZ3 4.04Å |
| 567 | S | 78 | Confident | 57 | Low | 17 Ų | 17 | 48.8 Ų | 48.8 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.5 | -177.4 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | E502 H519 G544 E569 | E502-S567 VanDerWaalsContact CD-CB 3.5Å; E502-S567 VanDerWaalsContact OE2-CB 3.25Å; E502-S567 WeakPolarHBondContact OE2-CB 3.18Å; E502-S567 PolarHBondContact OE2-OG 3Å; H519-S567 PolarHBondContact ND1-O 3.38Å; G544-S567 WeakPolarHBondContact CA-OG 3.38Å; G544-S567 PolarHBondContact O-N 2.85Å; S567-E569 VanDerWaalsContact C-N 3.28Å |
| 568 | D | 73.9 | Confident | 58 | Low | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 10.1 | 170.2 | 69.6 | -19.6 | 0 | 0 | 0 | 113.8 | H519 S522 W566 S570 Q618 | H519-D568 HydrophobicContact CB-CB 3.98Å; S522-D568 WeakPolarHBondContact CB-OD2 3.27Å; S522-D568 PolarHBondContact OG-OD2 3.24Å; W566-D568 WeakPolarHBondContact CB-OD1 3.23Å; W566-D568 PolarHBondContact O-N 3.13Å; D568-S570 VanDerWaalsContact CG-OG 3.23Å; D568-S570 PolarHBondContact O-N 2.83Å; D568-S570 VanDerWaalsContact O-N 3.17Å; D568-S570 WeakPolarHBondContact OD1-CB 3.29Å; D568-S570 PolarHBondContact OD1-N 2.71Å; D568-S570 VanDerWaalsContact OD1-N 3.12Å; D568-S570 PolarHBondContact OD1-OG 2.96Å; D568-S570 WeakPolarHBondContact OD2-CB 3.34Å; D568-S570 PolarHBondContact OD2-OG 3.06Å; D568-Q618 PolarHBondContact OD2-NE2 3.02Å |
| 569 | E | 66.2 | Low | 58.7 | Low | 186 Ų | 186 | 55.1 Ų | 55.1 | 87% | 0.869 | 30% | 0.295 | S | S | * | . | trans | 60.3 | 15.1 | -175.1 | -55.1 | -170.3 | 167.3 | 0 | 0 | 115.2 | W566 S567 | W566-E569 PolarHBondContact O-N 3.31Å; W566-E569 VanDerWaalsContact O-N 3.07Å; S567-E569 VanDerWaalsContact C-N 3.28Å | ||
| 570 | S | 63.2 | Low | 59.4 | Low | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | trans | -72.6 | 158.2 | 177.7 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | S522 H524 W566 D568 | S522-S570 VanDerWaalsContact CB-OG 3.32Å; S522-S570 WeakPolarHBondContact CB-OG 3.13Å; S522-S570 PolarHBondContact OG-OG 3.21Å; H524-S570 VanDerWaalsContact CE1-CB 3.49Å; H524-S570 WeakPolarHBondContact CE1-CB 3.46Å; H524-S570 PolarHBondContact CE1-OG 2.84Å; H524-S570 PolarHBondContact NE2-OG 2.83Å; W566-S570 VanDerWaalsContact CB-OG 3.29Å; W566-S570 WeakPolarHBondContact CB-OG 3.45Å; D568-S570 VanDerWaalsContact CG-OG 3.23Å; D568-S570 PolarHBondContact O-N 2.83Å; D568-S570 VanDerWaalsContact O-N 3.17Å; D568-S570 WeakPolarHBondContact OD1-CB 3.29Å; D568-S570 PolarHBondContact OD1-N 2.71Å; D568-S570 VanDerWaalsContact OD1-N 3.12Å; D568-S570 PolarHBondContact OD1-OG 2.96Å; D568-S570 WeakPolarHBondContact OD2-CB 3.34Å; D568-S570 PolarHBondContact OD2-OG 3.06Å | ||
| 571 | P | 48.3 | Very low | 60.4 | Low | 76 Ų | 76 | 56.6 Ų | 56.6 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | trans | -73.7 | 147.4 | -176.3 | 29.9 | -35.7 | 0 | 0 | 0 | 113.2 | H524 W566 D573 | H524-P571 PolarHBondContact CE1-O 3.37Å; H524-P571 PolarHBondContact ND1-O 2.65Å; H524-P571 VanDerWaalsContact ND1-O 3.12Å; W566-P571 PolarHBondContact NE1-O 2.92Å; P571-D573 PolarHBondContact O-N 3.38Å | ||
| 572 | V | 57 | Low | 61.2 | Low | 23 Ų | 23 | 55.4 Ų | 55.4 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | trans | -92.5 | 82.9 | 172.7 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | S407 L545 L564 L575 | S407-V572 PolarHBondContact OG-O 2.85Å; L545-V572 HydrophobicContact CD1-CG2 4.14Å; L564-V572 HydrophobicContact CB-CG1 4.36Å; L564-V572 HydrophobicContact CB-CG2 4.33Å; V572-L575 HydrophobicContact CG1-CD2 3.5Å; V572-L575 HydrophobicContact CG1-CG 4.29Å | ||
| 573 | D | 46.6 | Very low | 61.8 | Low | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -101.2 | -26.1 | -179.8 | 48.8 | 3.6 | 0 | 0 | 0 | 113.6 | Y404 H524 P571 | Y404-D573 HydrophobicContact CE1-CB 4.12Å; Y404-D573 HydrophobicContact CE2-CB 4.39Å; Y404-D573 PolarHBondContact OH-OD2 3.23Å; H524-D573 WeakPolarHBondContact CA-OD1 3.28Å; H524-D573 WeakPolarHBondContact CB-OD1 3.44Å; H524-D573 IonicContact CG-OD1 3.79Å; H524-D573 IonicContact ND1-OD1 3.62Å; H524-D573 PolarHBondContact ND1-OD1 2.72Å; H524-D573 IonicContact ND1-OD2 3.66Å; P571-D573 PolarHBondContact O-N 3.38Å | ||
| 574 | Y | 54.3 | Low | 62.1 | Low | 43 Ų | 43 | 56.8 Ų | 56.8 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | trans | -116.8 | 148.1 | 172.1 | 175.7 | -117.8 | 0 | 0 | 0 | 112.3 | V523 H524 P526 L529 S576 W604 | V523-Y574 HydrophobicContact CG1-CD1 4.01Å; V523-Y574 HydrophobicContact CG1-CE1 4.13Å; H524-Y574 WeakPolarHBondContact O-CB 3.28Å; P526-Y574 HydrophobicContact CB-CE2 4.49Å; P526-Y574 HydrophobicContact CG-CD2 4.28Å; P526-Y574 HydrophobicContact CG-CE2 3.68Å; L529-Y574 HydrophobicContact CB-CE1 4.02Å; L529-Y574 HydrophobicContact CD2-CE1 4.02Å; L529-Y574 WeakPolarHBondContact CD2-OH 3.3Å; Y574-S576 WeakPolarHBondContact OH-CB 3.32Å; Y574-S576 PolarHBondContact OH-OG 3.14Å; Y574-W604 AromaticContact CD1-CH2 3.93Å; Y574-W604 HydrophobicContact CD1-CH2 3.93Å; Y574-W604 AromaticContact CD1-CZ2 3.93Å; Y574-W604 HydrophobicContact CD1-CZ2 3.93Å; Y574-W604 HydrophobicContact CE1-CH2 4.25Å; Y574-W604 AromaticContact CE1-CZ2 3.83Å; Y574-W604 HydrophobicContact CE1-CZ2 3.83Å | ||
| 575 | L | 62.5 | Low | 61.6 | Low | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | trans | -143.7 | 135.6 | -178.1 | -66.5 | 176.1 | 0 | 0 | 0 | 109.9 | L564 V572 F577 W604 | L564-L575 HydrophobicContact CD1-CD2 4.09Å; V572-L575 HydrophobicContact CG1-CD2 3.5Å; V572-L575 HydrophobicContact CG1-CG 4.29Å; L575-F577 HydrophobicContact CB-CE2 4.36Å; L575-F577 HydrophobicContact CD1-CE2 4.21Å; L575-F577 HydrophobicContact CD2-CE2 3.74Å; L575-F577 HydrophobicContact CD2-CZ 3.79Å; L575-F577 HydrophobicContact CG-CE2 4.34Å; L575-W604 HydrophobicContact CD2-CZ3 4.11Å | ||
| 576 | S | 72.4 | Confident | 60.6 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | trans | -141.1 | 52.4 | 177.5 | -155.3 | 0 | 0 | 0 | 0 | 112.5 | Y574 D603 W604 | Y574-S576 WeakPolarHBondContact OH-CB 3.32Å; Y574-S576 PolarHBondContact OH-OG 3.14Å; S576-D603 CarbonylContact O-C 3.5Å; S576-D603 VanDerWaalsContact O-CA 3.24Å; S576-D603 WeakPolarHBondContact O-CA 3.29Å; S576-W604 PolarHBondContact O-N 3.1Å | ||
| 577 | F | 70 | Confident | 58.9 | Low | 41 Ų | 41 | 61.1 Ų | 61.1 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 148.6 | 177.5 | -58.5 | -56.8 | 0 | 0 | 0 | 112.9 | L545 L564 L575 E581 F595 W604 | L545-F577 HydrophobicContact CD2-CE1 4.03Å; L545-F577 HydrophobicContact CD2-CZ 4.29Å; L564-F577 HydrophobicContact CD1-CE2 3.97Å; L564-F577 HydrophobicContact CD1-CZ 3.63Å; L564-F577 HydrophobicContact CD2-CZ 4.05Å; L575-F577 HydrophobicContact CB-CE2 4.36Å; L575-F577 HydrophobicContact CD1-CE2 4.21Å; L575-F577 HydrophobicContact CD2-CE2 3.74Å; L575-F577 HydrophobicContact CD2-CZ 3.79Å; L575-F577 HydrophobicContact CG-CE2 4.34Å; F577-E581 HydrophobicContact CB-CB 4.4Å; F577-E581 WeakPolarHBondContact CB-O 3.29Å; F577-F595 HydrophobicContact CD1-CD1 4.23Å; F577-F595 AromaticContact CD1-CE1 3.66Å; F577-F595 HydrophobicContact CD1-CE1 3.66Å; F577-F595 HydrophobicContact CD1-CZ 4.27Å; F577-F595 AromaticContact CE1-CD1 3.9Å; F577-F595 HydrophobicContact CE1-CD1 3.9Å; F577-F595 AromaticContact CE1-CE1 3.28Å; F577-F595 HydrophobicContact CE1-CE1 3.28Å; F577-F595 HydrophobicContact CE1-CE2 4.27Å; F577-F595 AromaticContact CE1-CZ 3.49Å; F577-F595 HydrophobicContact CE1-CZ 3.49Å; F577-F595 VanDerWaalsContact CE1-CZ 3.49Å; F577-F595 HydrophobicContact CZ-CE1 4.32Å; F577-F595 HydrophobicContact CZ-CZ 4.13Å; F577-W604 WeakPolarHBondContact CA-O 3.32Å; F577-W604 HydrophobicContact CD1-CB 3.99Å; F577-W604 HydrophobicContact CD1-CE3 4.29Å; F577-W604 HydrophobicContact CE1-CB 4.43Å; F577-W604 AromaticContact CE1-CE3 3.97Å; F577-W604 HydrophobicContact CE1-CE3 3.97Å |
| 578 | A | 57.9 | Low | 57.1 | Low | 27 Ų | 27 | 68.9 Ų | 68.9 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 172.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D580 E581 D603 W604 | A578-D580 PolarHBondContact O-N 2.83Å; A578-E581 HydrophobicContact CB-CB 4.24Å; A578-E581 HydrophobicContact CB-CG 3.88Å; A578-E581 PolarHBondContact O-N 3.1Å; A578-D603 HydrophobicContact CB-CB 3.85Å; A578-W604 PolarHBondContact N-O 3.09Å |
| 579 | L | 49.7 | Very low | 55.7 | Low | 160 Ų | 160 | 68.7 Ų | 68.7 | 84% | 0.838 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 131.6 | 178.5 | -160.7 | 80.3 | 0 | 0 | 0 | 110.7 | E581 | L579-E581 PolarHBondContact O-N 2.96Š|
| 580 | D | 51.9 | Low | 54.9 | Low | 149 Ų | 149 | 63.8 Ų | 63.8 | 80% | 0.797 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 5.1 | -174.5 | -61.8 | -38.9 | 0 | 0 | 0 | 116.3 | A578 | A578-D580 PolarHBondContact O-N 2.83Š|
| 581 | E | 60.8 | Low | 54.7 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | trans | -93.2 | 151.6 | 172.1 | -59.7 | -54.8 | 144.1 | 0 | 0 | 112.2 | F577 A578 L579 S583 N605 | F577-E581 HydrophobicContact CB-CB 4.4Å; F577-E581 WeakPolarHBondContact CB-O 3.29Å; A578-E581 HydrophobicContact CB-CB 4.24Å; A578-E581 HydrophobicContact CB-CG 3.88Å; A578-E581 PolarHBondContact O-N 3.1Å; L579-E581 PolarHBondContact O-N 2.96Å; E581-S583 PolarHBondContact OE1-OG 3.3Å; E581-S583 WeakPolarHBondContact OE2-CB 3.21Å; E581-S583 PolarHBondContact OE2-N 2.86Å; E581-S583 PolarHBondContact OE2-OG 2.91Å; E581-N605 WeakPolarHBondContact CG-OD1 3.42Å; E581-N605 PolarHBondContact OE1-OD1 3.09Å | ||
| 582 | P | 58 | Low | 55.9 | Low | 24 Ų | 24 | 61.2 Ų | 61.2 | 16% | 0.156 | 33% | 0.329 | C | S | . | . | cis | -79.9 | 119.8 | 1.6 | 29.8 | -34.1 | 0 | 0 | 0 | 114.2 | I547 F595 D606 | I547-P582 HydrophobicContact CD1-CB 4.5Å; P582-F595 HydrophobicContact CB-CE1 3.91Å; P582-F595 HydrophobicContact CB-CZ 3.81Å; P582-F595 HydrophobicContact CG-CZ 4.41Å; P582-D606 WeakPolarHBondContact CA-OD1 3.19Å; P582-D606 WeakPolarHBondContact CB-OD1 3.02Å | ||
| 583 | S | 61.7 | Low | 56.7 | Low | 56 Ų | 56 | 62.6 Ų | 62.6 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | trans | -80 | -21.8 | -172.1 | 62.1 | 0 | 0 | 0 | 0 | 114 | E581 H585 D606 | E581-S583 PolarHBondContact OE1-OG 3.3Å; E581-S583 WeakPolarHBondContact OE2-CB 3.21Å; E581-S583 PolarHBondContact OE2-N 2.86Å; E581-S583 PolarHBondContact OE2-OG 2.91Å; S583-H585 VanDerWaalsContact C-N 3.31Å; S583-H585 PolarHBondContact O-N 3.06Å; S583-D606 PolarHBondContact N-OD1 3.22Å; S583-D606 VanDerWaalsContact N-OD1 3.15Å | ||
| 584 | R | 58.2 | Low | 58.6 | Low | 61 Ų | 61 | 60.8 Ų | 60.8 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | trans | 57.8 | 41.5 | 173.6 | -53.9 | 155.8 | -169.4 | -126.6 | -13.7 | 112.5 | I547 L559 S562 D606 | I547-R584 HydrophobicContact CD1-CG 4.28Å; L559-R584 HydrophobicContact CD2-CB 4.05Å; L559-R584 PolarHBondContact O-NH1 2.85Å; S562-R584 VanDerWaalsContact CB-NH1 3.28Å; S562-R584 PolarHBondContact OG-NH1 3.47Å; S562-R584 PolarHBondContact OG-NH2 2.98Å; S562-R584 VanDerWaalsContact OG-NH2 3.17Å; R584-D606 WeakPolarHBondContact CA-OD2 3.3Å; R584-D606 PolarHBondContact N-OD2 3.45Å | ||
| 585 | H | 55 | Low | 60.3 | Low | 117 Ų | 117 | 58.7 Ų | 58.7 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | trans | -62.3 | 163.7 | -173.5 | -156.2 | 79.5 | 0 | 0 | 0 | 112.7 | S583 I591 E592 | S583-H585 VanDerWaalsContact C-N 3.31Å; S583-H585 PolarHBondContact O-N 3.06Å; H585-I591 WeakPolarHBondContact O-CA 3.44Å; H585-E592 HydrophobicContact CB-CG 4.22Å; H585-E592 WeakPolarHBondContact CB-OE2 3.46Å; H585-E592 WeakPolarHBondContact O-CG 3.31Å; H585-E592 PolarHBondContact O-N 3.48Å | ||
| 586 | F | 46.4 | Very low | 61.6 | Low | 73 Ų | 73 | 57.3 Ų | 57.3 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | trans | -108.5 | 78.9 | 174.5 | -93.6 | -83.6 | 0 | 0 | 0 | 110.8 | R555 L559 D590 I591 | R555-F586 HydrophobicContact CB-CZ 4.08Å; R555-F586 HydrophobicContact CG-CZ 4.28Å; L559-F586 HydrophobicContact CD1-CE2 4.34Å; L559-F586 HydrophobicContact CD2-CE2 4.4Å; F586-D590 WeakPolarHBondContact CA-O 3.29Å; F586-D590 VanDerWaalsContact CD1-O 3.31Å; F586-D590 WeakPolarHBondContact CD1-O 3.11Å; F586-I591 HydrophobicContact CD1-CG1 3.96Å; F586-I591 HydrophobicContact CE1-CD1 4.04Å; F586-I591 HydrophobicContact CE1-CG1 3.37Å; F586-I591 HydrophobicContact CE2-CD1 4.31Å; F586-I591 HydrophobicContact CE2-CG1 3.99Å; F586-I591 HydrophobicContact CZ-CD1 3.64Å; F586-I591 HydrophobicContact CZ-CG1 3.39Å | ||
| 587 | S | 45.1 | Very low | 62.2 | Low | 27 Ų | 27 | 56.2 Ų | 56.2 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -87.9 | 125 | 177 | 60 | 0 | 0 | 0 | 0 | 111.4 | G589 D590 E592 N608 | S587-G589 PolarHBondContact O-N 3.22Å; S587-D590 PolarHBondContact N-O 3.18Å; S587-D590 PolarHBondContact O-N 3.03Å; S587-E592 VanDerWaalsContact CB-OE1 3.29Å; S587-E592 WeakPolarHBondContact CB-OE1 3.47Å; S587-E592 PolarHBondContact OG-OE1 3.1Å; S587-N608 PolarHBondContact O-ND2 3.27Å; S587-N608 VanDerWaalsContact O-ND2 3.15Å; S587-N608 WeakPolarHBondContact OG-CB 3.23Å; S587-N608 PolarHBondContact OG-ND2 2.04Å |
| 588 | N | 40.7 | Very low | 62.5 | Low | 179 Ų | 179 | 57.5 Ų | 57.5 | 96% | 0.957 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 11.2 | -178.2 | -70.6 | -25.5 | 0 | 0 | 0 | 117.4 | ||
| 589 | G | 43.4 | Very low | 63.2 | Low | 32 Ų | 32 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.1 | -10.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R555 S587 | R555-G589 PolarHBondContact NH1-O 2.76Å; R555-G589 PolarHBondContact NH2-O 3.18Å; S587-G589 PolarHBondContact O-N 3.22Å |
| 590 | D | 50 | Low | 63.7 | Low | 83 Ų | 83 | 59.2 Ų | 59.2 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -88.9 | 171.5 | 164.6 | -79.4 | -42.7 | 0 | 0 | 0 | 110.9 | F586 S587 N610 | F586-D590 WeakPolarHBondContact CA-O 3.29Å; F586-D590 VanDerWaalsContact CD1-O 3.31Å; F586-D590 WeakPolarHBondContact CD1-O 3.11Å; S587-D590 PolarHBondContact N-O 3.18Å; S587-D590 PolarHBondContact O-N 3.03Å; D590-N610 PolarHBondContact OD2-ND2 2.88Å |
| 591 | I | 58.9 | Low | 64.5 | Low | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 140.8 | 175.2 | -57.6 | 174.1 | 0 | 0 | 0 | 108.6 | L559 H585 F586 R593 | L559-I591 HydrophobicContact CD2-CD1 4.41Å; L559-I591 HydrophobicContact CD2-CG2 4.25Å; H585-I591 WeakPolarHBondContact O-CA 3.44Å; F586-I591 HydrophobicContact CD1-CG1 3.96Å; F586-I591 HydrophobicContact CE1-CD1 4.04Å; F586-I591 HydrophobicContact CE1-CG1 3.37Å; F586-I591 HydrophobicContact CE2-CD1 4.31Å; F586-I591 HydrophobicContact CE2-CG1 3.99Å; F586-I591 HydrophobicContact CZ-CD1 3.64Å; F586-I591 HydrophobicContact CZ-CG1 3.39Å; I591-R593 HydrophobicContact CB-CG 4.27Å; I591-R593 HydrophobicContact CG2-CG 4.18Å; I591-R593 WeakPolarHBondContact O-CG 3.26Å |
| 592 | E | 73.1 | Confident | 65 | Low | 29 Ų | 29 | 56.1 Ų | 56.1 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 128.4 | 173.3 | -57 | -159.8 | 142.3 | 0 | 0 | 110.5 | H585 S587 V607 N608 | H585-E592 HydrophobicContact CB-CG 4.22Å; H585-E592 WeakPolarHBondContact CB-OE2 3.46Å; H585-E592 WeakPolarHBondContact O-CG 3.31Å; H585-E592 PolarHBondContact O-N 3.48Å; S587-E592 VanDerWaalsContact CB-OE1 3.29Å; S587-E592 WeakPolarHBondContact CB-OE1 3.47Å; S587-E592 PolarHBondContact OG-OE1 3.1Å; E592-V607 WeakPolarHBondContact CA-O 3.45Å; E592-N608 HydrophobicContact CG-CB 4.22Å; E592-N608 PolarHBondContact OE1-N 3.25Å |
| 593 | R | 73.6 | Confident | 65.6 | Low | 53 Ų | 53 | 57.5 Ų | 57.5 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | trans | -152.3 | -20.5 | -154.6 | -81.7 | -179 | -177.9 | -166.7 | 0.6 | 115 | Q546 I547 H549 I591 V607 C609 | Q546-R593 WeakPolarHBondContact CA-O 3.44Å; I547-R593 PolarHBondContact N-O 3.44Å; H549-R593 PolarHBondContact CD2-NE 3.1Å; I591-R593 HydrophobicContact CB-CG 4.27Å; I591-R593 HydrophobicContact CG2-CG 4.18Å; I591-R593 WeakPolarHBondContact O-CG 3.26Å; R593-V607 PolarHBondContact N-O 3.1Å; R593-C609 VanDerWaalsContact CB-SG 3.56Å | ||
| 594 | C | 87.6 | Confident | 66.6 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.1 | -177.2 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | W498 W542 Q546 V607 C609 | W498-C594 HydrophobicContact CB-CB 4.07Å; W498-C594 HydrophobicContact CD2-CB 4.39Å; W498-C594 VanDerWaalsContact CD2-SG 3.54Å; W498-C594 HydrophobicContact CG-CB 3.77Å; W542-C594 HydrophobicContact CE3-CB 4.13Å; W542-C594 HydrophobicContact CH2-CB 3.82Å; W542-C594 HydrophobicContact CZ3-CB 3.4Å; W542-C594 VanDerWaalsContact CZ3-CB 3.4Å; Q546-C594 PolarHBondContact NE2-SG 2.56Å; C594-V607 PolarHBondContact N-O 2.76Å; C594-V607 WeakPolarHBondContact O-CG2 3.25Å; C594-V607 PolarHBondContact O-N 2.81Å; C594-C609 HydrophobicContact CB-CB 3.98Å; C594-C609 WeakPolarHBondContact CB-SG 3.39Å; C594-C609 PolarHBondContact N-SG 3.4Å; C594-C609 WeakPolarHBondContact SG-CB 3.39Å; C594-C609 CovalentContact SG-SG 2.04Å; C594-C609 PolarHBondContact SG-SG 3.42Å |
| 595 | F | 90.1 | Very high | 67.7 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.8 | -174.9 | -70.5 | -88.6 | 0 | 0 | 0 | 112.5 | L543 L545 I547 L564 F577 P582 W604 N605 D606 | L543-F595 HydrophobicContact CB-CB 4.44Å; L543-F595 HydrophobicContact CD1-CB 4.45Å; L543-F595 PolarHBondContact N-O 2.81Å; L545-F595 HydrophobicContact CB-CB 4.14Å; L545-F595 HydrophobicContact CB-CD2 3.77Å; L545-F595 HydrophobicContact CB-CG 4.25Å; L545-F595 HydrophobicContact CD2-CB 4.43Å; L545-F595 HydrophobicContact CD2-CD1 4.5Å; L545-F595 HydrophobicContact CD2-CD2 3.56Å; L545-F595 HydrophobicContact CD2-CE2 3.87Å; L545-F595 HydrophobicContact CD2-CG 3.9Å; L545-F595 HydrophobicContact CD2-CZ 4.48Å; L545-F595 HydrophobicContact CG-CD2 3.55Å; L545-F595 HydrophobicContact CG-CE2 3.95Å; L545-F595 HydrophobicContact CG-CG 4.27Å; L545-F595 WeakPolarHBondContact O-CD2 3.24Å; L545-F595 PolarHBondContact O-N 3.17Å; I547-F595 HydrophobicContact CD1-CE2 4.14Å; I547-F595 HydrophobicContact CD1-CZ 4.03Å; I547-F595 HydrophobicContact CG1-CE2 3.67Å; I547-F595 HydrophobicContact CG1-CZ 4.06Å; L564-F595 HydrophobicContact CD2-CE2 3.54Å; L564-F595 HydrophobicContact CD2-CZ 3.89Å; F577-F595 HydrophobicContact CD1-CD1 4.23Å; F577-F595 AromaticContact CD1-CE1 3.66Å; F577-F595 HydrophobicContact CD1-CE1 3.66Å; F577-F595 HydrophobicContact CD1-CZ 4.27Å; F577-F595 AromaticContact CE1-CD1 3.9Å; F577-F595 HydrophobicContact CE1-CD1 3.9Å; F577-F595 AromaticContact CE1-CE1 3.28Å; F577-F595 HydrophobicContact CE1-CE1 3.28Å; F577-F595 HydrophobicContact CE1-CE2 4.27Å; F577-F595 AromaticContact CE1-CZ 3.49Å; F577-F595 HydrophobicContact CE1-CZ 3.49Å; F577-F595 VanDerWaalsContact CE1-CZ 3.49Å; F577-F595 HydrophobicContact CZ-CE1 4.32Å; F577-F595 HydrophobicContact CZ-CZ 4.13Å; P582-F595 HydrophobicContact CB-CE1 3.91Å; P582-F595 HydrophobicContact CB-CZ 3.81Å; P582-F595 HydrophobicContact CG-CZ 4.41Å; F595-W604 HydrophobicContact CD1-CB 4.13Å; F595-N605 WeakPolarHBondContact CA-O 3.48Å; F595-N605 VanDerWaalsContact CD1-C 3.49Å; F595-D606 HydrophobicContact CD1-CB 3.97Å; F595-D606 HydrophobicContact CE1-CB 3.61Å; F595-D606 HydrophobicContact CE2-CB 4.46Å; F595-D606 HydrophobicContact CZ-CB 3.9Å |
| 596 | I | 88.4 | Confident | 68.9 | Low | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 146.1 | 158.9 | 52.7 | 169.4 | 0 | 0 | 0 | 109.6 | N540 V541 W542 W604 N605 V607 H613 | N540-I596 HydrophobicContact CB-CD1 4.01Å; V541-I596 WeakPolarHBondContact O-CA 3.43Å; V541-I596 WeakPolarHBondContact O-CB 3.31Å; W542-I596 HydrophobicContact CD2-CG2 4.28Å; W542-I596 HydrophobicContact CE3-CG2 3.63Å; W542-I596 HydrophobicContact CZ3-CG2 3.86Å; I596-W604 WeakPolarHBondContact O-CA 3.23Å; I596-N605 HydrophobicContact CG1-CB 4.28Å; I596-N605 WeakPolarHBondContact CG1-O 3.34Å; I596-N605 PolarHBondContact N-O 3.17Å; I596-N605 PolarHBondContact O-N 3.45Å; I596-V607 HydrophobicContact CD1-CG1 3.77Å; I596-V607 HydrophobicContact CD1-CG2 4.45Å; I596-V607 HydrophobicContact CG1-CG1 3.95Å; I596-V607 HydrophobicContact CG1-CG2 4.13Å; I596-V607 HydrophobicContact CG2-CG2 3.88Å; I596-H613 HydrophobicContact CG2-CB 4.32Å |
| 597 | S | 86.7 | Confident | 70.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.6 | 159.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | Y536 V541 H602 | Y536-S597 WeakPolarHBondContact OH-CB 3.29Å; Y536-S597 PolarHBondContact OH-OG 2.9Å; V541-S597 PolarHBondContact O-N 3.32Å; V541-S597 VanDerWaalsContact O-N 3.12Å; S597-H602 PolarHBondContact OG-O 2.64Å |
| 598 | H | 75.5 | Confident | 72.3 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -80 | 127 | -175.4 | -177.8 | -125.1 | 0 | 0 | 0 | 111.5 | N540 R600 T601 H602 D603 | N540-H598 PolarHBondContact OD1-CD2 2.84Å; H598-R600 PolarHBondContact O-N 2.83Å; H598-T601 PolarHBondContact ND1-OG1 3.35Å; H598-T601 PolarHBondContact O-N 3.39Å; H598-H602 VanDerWaalsContact O-CA 3.28Å; H598-H602 WeakPolarHBondContact O-CA 3.3Å; H598-H602 PolarHBondContact O-N 3.12Å; H598-D603 WeakPolarHBondContact CB-O 3.39Å; H598-D603 PolarHBondContact N-O 2.75Å |
| 599 | S | 71.4 | Confident | 74.4 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -25.3 | -171.6 | 54.5 | 0 | 0 | 0 | 0 | 117 | N540 H602 | N540-S599 WeakPolarHBondContact OD1-CB 3.06Å; N540-S599 PolarHBondContact OD1-N 2.62Å; N540-S599 PolarHBondContact OD1-OG 2.91Å; N540-S599 VanDerWaalsContact OD1-OG 3.09Å; S599-H602 PolarHBondContact O-CE1 3.48Å |
| 600 | R | 61.2 | Low | 76.3 | Confident | 206 Ų | 206 | 41.2 Ų | 41.2 | 78% | 0.777 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111 | -23 | -175.2 | -72.1 | -176.1 | 171.7 | -178.5 | -3 | 115.7 | H598 | H598-R600 PolarHBondContact O-N 2.83Š|
| 601 | T | 68.4 | Low | 77.8 | Confident | 70 Ų | 70 | 39 Ų | 39 | 43% | 0.429 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -15.7 | -178.4 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | H598 D603 | H598-T601 PolarHBondContact ND1-OG1 3.35Å; H598-T601 PolarHBondContact O-N 3.39Å; T601-D603 WeakPolarHBondContact CB-OD2 3.07Å; T601-D603 PolarHBondContact O-N 2.84Å; T601-D603 PolarHBondContact OG1-OD2 2.93Å |
| 602 | H | 71.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | trans | 62.1 | -9.6 | -176 | -45.9 | -46.4 | 0 | 0 | 0 | 115.2 | L529 S533 S597 H598 S599 | L529-H602 HydrophobicContact CD2-CB 4.48Å; L529-H602 HydrophobicContact CG-CB 4.4Å; S533-H602 WeakPolarHBondContact CB-ND1 3.36Å; S597-H602 PolarHBondContact OG-O 2.64Å; H598-H602 VanDerWaalsContact O-CA 3.28Å; H598-H602 WeakPolarHBondContact O-CA 3.3Å; H598-H602 PolarHBondContact O-N 3.12Å; S599-H602 PolarHBondContact O-CE1 3.48Å | ||
| 603 | D | 70.2 | Confident | 79.9 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -51.1 | 152.9 | 163.8 | -54.9 | -45.7 | 0 | 0 | 0 | 112.2 | S576 A578 H598 T601 | S576-D603 CarbonylContact O-C 3.5Å; S576-D603 VanDerWaalsContact O-CA 3.24Å; S576-D603 WeakPolarHBondContact O-CA 3.29Å; A578-D603 HydrophobicContact CB-CB 3.85Å; H598-D603 WeakPolarHBondContact CB-O 3.39Å; H598-D603 PolarHBondContact N-O 2.75Å; T601-D603 WeakPolarHBondContact CB-OD2 3.07Å; T601-D603 PolarHBondContact O-N 2.84Å; T601-D603 PolarHBondContact OG1-OD2 2.93Å | ||
| 604 | W | 84.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.1 | -174.8 | -48.9 | -15.9 | 0 | 0 | 0 | 110.5 | V523 L543 L545 W566 Y574 L575 S576 F577 A578 F595 I596 | V523-W604 HydrophobicContact CB-CH2 4.24Å; V523-W604 HydrophobicContact CB-CZ2 3.85Å; V523-W604 HydrophobicContact CG1-CZ2 4.03Å; V523-W604 HydrophobicContact CG2-CZ2 4.33Å; L543-W604 HydrophobicContact CD1-CD2 4.06Å; L543-W604 HydrophobicContact CD1-CG 3.86Å; L545-W604 HydrophobicContact CD2-CE3 3.59Å; L545-W604 HydrophobicContact CD2-CZ3 3.78Å; W566-W604 AromaticContact CH2-CH2 3.75Å; W566-W604 HydrophobicContact CH2-CH2 3.75Å; W566-W604 HydrophobicContact CH2-CZ2 4.18Å; W566-W604 AromaticContact CH2-CZ3 4Å; W566-W604 HydrophobicContact CH2-CZ3 4Å; W566-W604 AromaticContact CZ2-CH2 3.76Å; W566-W604 HydrophobicContact CZ2-CH2 3.76Å; W566-W604 HydrophobicContact CZ2-CZ3 4.04Å; Y574-W604 AromaticContact CD1-CH2 3.93Å; Y574-W604 HydrophobicContact CD1-CH2 3.93Å; Y574-W604 AromaticContact CD1-CZ2 3.93Å; Y574-W604 HydrophobicContact CD1-CZ2 3.93Å; Y574-W604 HydrophobicContact CE1-CH2 4.25Å; Y574-W604 AromaticContact CE1-CZ2 3.83Å; Y574-W604 HydrophobicContact CE1-CZ2 3.83Å; L575-W604 HydrophobicContact CD2-CZ3 4.11Å; S576-W604 PolarHBondContact O-N 3.1Å; F577-W604 WeakPolarHBondContact CA-O 3.32Å; F577-W604 HydrophobicContact CD1-CB 3.99Å; F577-W604 HydrophobicContact CD1-CE3 4.29Å; F577-W604 HydrophobicContact CE1-CB 4.43Å; F577-W604 AromaticContact CE1-CE3 3.97Å; F577-W604 HydrophobicContact CE1-CE3 3.97Å; A578-W604 PolarHBondContact N-O 3.09Å; F595-W604 HydrophobicContact CD1-CB 4.13Å; I596-W604 WeakPolarHBondContact O-CA 3.23Å |
| 605 | N | 80.4 | Confident | 80.8 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.3 | 179.1 | -175.8 | 78 | 0 | 0 | 0 | 108.8 | E581 F595 I596 V607 | E581-N605 WeakPolarHBondContact CG-OD1 3.42Å; E581-N605 PolarHBondContact OE1-OD1 3.09Å; F595-N605 WeakPolarHBondContact CA-O 3.48Å; F595-N605 VanDerWaalsContact CD1-C 3.49Å; I596-N605 HydrophobicContact CG1-CB 4.28Å; I596-N605 WeakPolarHBondContact CG1-O 3.34Å; I596-N605 PolarHBondContact N-O 3.17Å; I596-N605 PolarHBondContact O-N 3.45Å; N605-V607 WeakPolarHBondContact ND2-CG1 3.45Å |
| 606 | D | 80.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142 | 170.1 | 53.1 | -56.4 | 0 | 0 | 0 | 110.7 | P582 S583 R584 F595 | P582-D606 WeakPolarHBondContact CA-OD1 3.19Å; P582-D606 WeakPolarHBondContact CB-OD1 3.02Å; S583-D606 PolarHBondContact N-OD1 3.22Å; S583-D606 VanDerWaalsContact N-OD1 3.15Å; R584-D606 WeakPolarHBondContact CA-OD2 3.3Å; R584-D606 PolarHBondContact N-OD2 3.45Å; F595-D606 HydrophobicContact CD1-CB 3.97Å; F595-D606 HydrophobicContact CE1-CB 3.61Å; F595-D606 HydrophobicContact CE2-CB 4.46Å; F595-D606 HydrophobicContact CZ-CB 3.9Å |
| 607 | V | 83.1 | Confident | 80.8 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 168.8 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | W542 E592 R593 C594 I596 N605 C609 | W542-V607 HydrophobicContact CE3-CG2 4.49Å; W542-V607 HydrophobicContact CH2-CG2 3.56Å; W542-V607 HydrophobicContact CZ3-CG2 3.4Å; E592-V607 WeakPolarHBondContact CA-O 3.45Å; R593-V607 PolarHBondContact N-O 3.1Å; C594-V607 PolarHBondContact N-O 2.76Å; C594-V607 WeakPolarHBondContact O-CG2 3.25Å; C594-V607 PolarHBondContact O-N 2.81Å; I596-V607 HydrophobicContact CD1-CG1 3.77Å; I596-V607 HydrophobicContact CD1-CG2 4.45Å; I596-V607 HydrophobicContact CG1-CG1 3.95Å; I596-V607 HydrophobicContact CG1-CG2 4.13Å; I596-V607 HydrophobicContact CG2-CG2 3.88Å; N605-V607 WeakPolarHBondContact ND2-CG1 3.45Å; V607-C609 PolarHBondContact O-N 3.17Å |
| 608 | N | 80.5 | Confident | 80.9 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | trans | -62.4 | 122.3 | 175.2 | -168.8 | -43.6 | 0 | 0 | 0 | 110.9 | S587 E592 N610 S611 | S587-N608 PolarHBondContact O-ND2 3.27Å; S587-N608 VanDerWaalsContact O-ND2 3.15Å; S587-N608 WeakPolarHBondContact OG-CB 3.23Å; S587-N608 PolarHBondContact OG-ND2 2.04Å; E592-N608 HydrophobicContact CG-CB 4.22Å; E592-N608 PolarHBondContact OE1-N 3.25Å; N608-N610 PolarHBondContact O-N 3.22Å; N608-N610 WeakPolarHBondContact OD1-CB 3.41Å; N608-N610 PolarHBondContact OD1-N 2.98Å; N608-S611 WeakPolarHBondContact O-CB 3.47Å; N608-S611 PolarHBondContact O-N 2.75Å; N608-S611 PolarHBondContact O-OG 2.74Å | ||
| 609 | C | 83.8 | Confident | 81.2 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.3 | -178.7 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | W498 R593 C594 V607 | W498-C609 HydrophobicContact CB-CB 4.19Å; W498-C609 PolarHBondContact N-O 2.99Å; R593-C609 VanDerWaalsContact CB-SG 3.56Å; C594-C609 HydrophobicContact CB-CB 3.98Å; C594-C609 WeakPolarHBondContact CB-SG 3.39Å; C594-C609 PolarHBondContact N-SG 3.4Å; C594-C609 WeakPolarHBondContact SG-CB 3.39Å; C594-C609 CovalentContact SG-SG 2.04Å; C594-C609 PolarHBondContact SG-SG 3.42Å; V607-C609 PolarHBondContact O-N 3.17Å |
| 610 | N | 82.4 | Confident | 81.1 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.4 | 174.8 | -65.2 | -46.9 | 0 | 0 | 0 | 113.9 | D590 N608 | D590-N610 PolarHBondContact OD2-ND2 2.88Å; N608-N610 PolarHBondContact O-N 3.22Å; N608-N610 WeakPolarHBondContact OD1-CB 3.41Å; N608-N610 PolarHBondContact OD1-N 2.98Å |
| 611 | S | 82.1 | Confident | 81.1 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -65.3 | 153.6 | 171.8 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | P497 W542 N608 H613 | P497-S611 WeakPolarHBondContact CA-O 3.42Å; W542-S611 WeakPolarHBondContact CH2-OG 3.28Å; W542-S611 WeakPolarHBondContact CZ2-O 3.16Å; W542-S611 WeakPolarHBondContact CZ2-OG 3.5Å; N608-S611 WeakPolarHBondContact O-CB 3.47Å; N608-S611 PolarHBondContact O-N 2.75Å; N608-S611 PolarHBondContact O-OG 2.74Å; S611-H613 PolarHBondContact OG-CD2 2.73Å; S611-H613 PolarHBondContact OG-NE2 2.83Å |
| 612 | R | 86.7 | Confident | 80.4 | Confident | 138 Ų | 138 | 37.1 Ų | 37.1 | 52% | 0.521 | 19% | 0.191 | S | C | . | . | trans | -103.9 | 102.6 | -177.3 | -71.4 | -172.3 | 168.4 | -101.8 | -12 | 109.9 | P495 P497 E500 | P495-R612 HydrophobicContact CB-CB 4.19Å; P495-R612 PolarHBondContact O-NH1 3Å; P497-R612 VanDerWaalsContact CD-CZ 3.49Å; P497-R612 HydrophobicContact CG-CG 4.2Å; E500-R612 IonicContact OE1-NH2 2.72Å; E500-R612 PolarHBondContact OE1-NH2 2.71Å; E500-R612 IonicContact OE2-CZ 3.99Å; E500-R612 IonicContact OE2-NH1 2.65Å; E500-R612 IonicContact OE2-NH2 3.7Å; E500-R612 PolarHBondContact OE2-NH2 3.45Å | ||
| 613 | H | 89 | Confident | 79 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 158.2 | 174.4 | -67.1 | -81.3 | 0 | 0 | 0 | 111.1 | P495 L496 W542 I596 S611 | P495-H613 CarbonylContact C-O 3.49Å; P495-H613 WeakPolarHBondContact CA-O 3.37Å; P495-H613 WeakPolarHBondContact CB-O 3.29Å; L496-H613 PolarHBondContact N-O 3.42Å; L496-H613 PolarHBondContact O-N 2.87Å; W542-H613 HydrophobicContact CD2-CB 4.05Å; W542-H613 AromaticContact CE2-CD2 3.87Å; W542-H613 HydrophobicContact CG-CB 4.04Å; W542-H613 AromaticContact CH2-CD2 3.92Å; W542-H613 AromaticContact CZ2-CD2 3.7Å; I596-H613 HydrophobicContact CG2-CB 4.32Å; S611-H613 PolarHBondContact OG-CD2 2.73Å; S611-H613 PolarHBondContact OG-NE2 2.83Å |
| 614 | L | 89.8 | Confident | 77.3 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 156.7 | 167.9 | -63 | 173.7 | 0 | 0 | 0 | 109.1 | I491 H492 P495 V539 V541 W542 | I491-L614 HydrophobicContact CG2-CB 3.72Å; I491-L614 HydrophobicContact CG2-CD1 4.29Å; I491-L614 HydrophobicContact CG2-CG 4.43Å; H492-L614 VanDerWaalsContact O-CD2 3.3Å; H492-L614 WeakPolarHBondContact O-CD2 3.36Å; P495-L614 HydrophobicContact CB-CD2 3.95Å; P495-L614 HydrophobicContact CB-CG 4.36Å; P495-L614 HydrophobicContact CG-CD2 4.35Å; V539-L614 HydrophobicContact CB-CD1 3.95Å; V539-L614 HydrophobicContact CG1-CD1 3.87Å; V539-L614 HydrophobicContact CG2-CD1 4.03Å; V541-L614 VanDerWaalsContact CA-O 3.28Å; V541-L614 WeakPolarHBondContact CA-O 3.41Å; W542-L614 PolarHBondContact N-O 2.99Å |
| 615 | Y | 91.1 | Very high | 74.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 161.9 | -176.7 | 61.7 | -78.8 | 0 | 0 | 0 | 110.3 | I491 H492 T494 L496 A501 D504 L520 | I491-Y615 CarbonylContact C-O 3.4Å; I491-Y615 WeakPolarHBondContact CA-O 3.19Å; H492-Y615 HydrophobicContact CB-CD1 4.34Å; H492-Y615 HydrophobicContact CB-CD2 4.22Å; H492-Y615 HydrophobicContact CB-CE1 3.8Å; H492-Y615 HydrophobicContact CB-CE2 3.7Å; H492-Y615 HydrophobicContact CB-CG 4.5Å; H492-Y615 VanDerWaalsContact CB-CZ 3.44Å; H492-Y615 AromaticContact CG-CE2 3.49Å; H492-Y615 VanDerWaalsContact CG-CE2 3.49Å; H492-Y615 AromaticContact CG-CZ 3.69Å; H492-Y615 PolarHBondContact N-O 2.03Å; H492-Y615 AromaticContact ND1-CE2 3.48Å; H492-Y615 WeakPolarHBondContact ND1-CE2 3.28Å; H492-Y615 AromaticContact ND1-CZ 3.7Å; H492-Y615 PolarHBondContact ND1-OH 2.9Å; T494-Y615 WeakPolarHBondContact O-CE1 3.43Å; L496-Y615 HydrophobicContact CB-CD1 4.44Å; L496-Y615 HydrophobicContact CB-CE1 3.87Å; L496-Y615 HydrophobicContact CD1-CE1 3.8Å; L496-Y615 VanDerWaalsContact CD1-OH 3.23Å; L496-Y615 WeakPolarHBondContact CD1-OH 3.31Å; L496-Y615 HydrophobicContact CG-CE1 3.75Å; A501-Y615 HydrophobicContact CB-CD1 3.6Å; A501-Y615 HydrophobicContact CB-CD2 3.82Å; A501-Y615 HydrophobicContact CB-CE1 3.96Å; A501-Y615 HydrophobicContact CB-CE2 4.13Å; A501-Y615 HydrophobicContact CB-CG 3.56Å; D504-Y615 HydrophobicContact CB-CE2 4.06Å; D504-Y615 VanDerWaalsContact CG-OH 3.31Å; D504-Y615 WeakPolarHBondContact OD2-CE2 3.28Å; D504-Y615 PolarHBondContact OD2-OH 3.3Å; L520-Y615 HydrophobicContact CD2-CD2 4.16Å; L520-Y615 HydrophobicContact CD2-CG 4.27Å |
| 616 | F | 89.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -139.9 | 153.3 | 167.1 | 54.8 | -79.3 | 0 | 0 | 0 | 107.3 | F488 S489 I491 P521 I532 L535 Y536 V541 | F488-F616 HydrophobicContact CB-CD2 4.16Å; F488-F616 AromaticContact CD1-CD2 3.9Å; F488-F616 HydrophobicContact CD1-CD2 3.9Å; F488-F616 AromaticContact CD1-CE2 3.65Å; F488-F616 HydrophobicContact CD1-CE2 3.65Å; F488-F616 HydrophobicContact CE1-CE2 4.29Å; F488-F616 HydrophobicContact CG-CD2 4.49Å; F488-F616 HydrophobicContact CG-CE2 4.42Å; S489-F616 WeakPolarHBondContact O-CB 3.32Å; S489-F616 WeakPolarHBondContact OG-CA 3.34Å; I491-F616 HydrophobicContact CG1-CB 4.36Å; I491-F616 HydrophobicContact CG1-CD1 4.04Å; P521-F616 HydrophobicContact CB-CE2 3.88Å; P521-F616 HydrophobicContact CB-CZ 4.1Å; P521-F616 VanDerWaalsContact CD-O 3.31Å; P521-F616 WeakPolarHBondContact CD-O 3.44Å; P521-F616 HydrophobicContact CG-CD1 4.47Å; P521-F616 HydrophobicContact CG-CD2 3.72Å; P521-F616 HydrophobicContact CG-CE1 4.13Å; P521-F616 HydrophobicContact CG-CE2 3.31Å; P521-F616 HydrophobicContact CG-CG 4.27Å; P521-F616 HydrophobicContact CG-CZ 3.52Å; P521-F616 VanDerWaalsContact CG-O 3.31Å; P521-F616 WeakPolarHBondContact CG-O 3.38Å; I532-F616 HydrophobicContact CG2-CZ 3.93Å; L535-F616 HydrophobicContact CD1-CD2 4.04Å; L535-F616 HydrophobicContact CD1-CE2 3.58Å; L535-F616 HydrophobicContact CD1-CZ 4.15Å; Y536-F616 AromaticContact CD1-CE1 3.97Å; Y536-F616 HydrophobicContact CD1-CE1 3.97Å; Y536-F616 HydrophobicContact CD1-CZ 4.3Å; V541-F616 HydrophobicContact CB-CE1 4.08Å; V541-F616 HydrophobicContact CG1-CD1 4.36Å; V541-F616 HydrophobicContact CG1-CE1 4.12Å; V541-F616 HydrophobicContact CG2-CE1 4.02Å | ||
| 617 | C | 89.3 | Confident | 69.5 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -101.7 | 135.1 | -173 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | W480 F488 S489 C505 A518 H519 | W480-C617 HydrophobicContact CH2-CB 3.64Å; W480-C617 HydrophobicContact CZ2-CB 4.47Å; W480-C617 HydrophobicContact CZ3-CB 4.07Å; W480-C617 WeakPolarHBondContact CZ3-O 3.45Å; F488-C617 CarbonylContact C-O 3.54Å; F488-C617 WeakPolarHBondContact CA-O 3.4Å; S489-C617 PolarHBondContact N-O 3.33Å; S489-C617 PolarHBondContact OG-N 3.32Å; C505-C617 WeakPolarHBondContact CA-SG 3Å; C505-C617 HydrophobicContact CB-CB 3.62Å; C505-C617 WeakPolarHBondContact CB-SG 3.39Å; C505-C617 VanDerWaalsContact SG-CA 3.52Å; C505-C617 WeakPolarHBondContact SG-CB 3.06Å; C505-C617 CovalentContact SG-SG 2.03Å; C505-C617 PolarHBondContact SG-SG 3.03Å; A518-C617 HydrophobicContact CB-CB 3.97Å; H519-C617 CarbonylContact O-C 3.55Å; H519-C617 VanDerWaalsContact O-CA 3.3Å; H519-C617 WeakPolarHBondContact O-CA 3.39Å | ||
| 618 | Q | 88.1 | Confident | 66.8 | Low | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 145 | 164 | 64.4 | 172.6 | -1.5 | 0 | 0 | 110.6 | K486 C487 F488 A518 H519 L520 S522 D568 | K486-Q618 VanDerWaalsContact CE-OE1 3.22Å; K486-Q618 VanDerWaalsContact NZ-OE1 3.07Å; C487-Q618 CarbonylContact O-C 3.44Å; C487-Q618 VanDerWaalsContact O-CA 3.25Å; C487-Q618 WeakPolarHBondContact O-CA 3.17Å; F488-Q618 HydrophobicContact CD1-CB 3.75Å; F488-Q618 HydrophobicContact CE1-CB 3.65Å; F488-Q618 HydrophobicContact CZ-CB 4.45Å; A518-Q618 CarbonylContact C-O 3.55Å; A518-Q618 WeakPolarHBondContact CA-O 3.2Å; A518-Q618 VanDerWaalsContact CB-O 3.31Å; A518-Q618 WeakPolarHBondContact CB-O 3.05Å; H519-Q618 PolarHBondContact N-O 2.77Å; H519-Q618 WeakPolarHBondContact O-CG 2.92Å; H519-Q618 PolarHBondContact O-N 3.48Å; L520-Q618 WeakPolarHBondContact O-CG 3.39Å; L520-Q618 PolarHBondContact O-NE2 3.43Å; S522-Q618 VanDerWaalsContact N-OE1 3.15Å; S522-Q618 PolarHBondContact OG-NE2 3.36Å; S522-Q618 PolarHBondContact OG-OE1 2.95Å; S522-Q618 VanDerWaalsContact OG-OE1 3.14Å; D568-Q618 PolarHBondContact OD2-NE2 3.02Å |
| 619 | L | 81.9 | Confident | 64.4 | Low | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.2 | 172.7 | 173.5 | 68.8 | 0 | 0 | 0 | 108 | P477 W480 C487 G516 R517 A518 | P477-L619 HydrophobicContact CG-CD2 3.85Å; W480-L619 HydrophobicContact CE3-CB 4.16Å; W480-L619 HydrophobicContact CH2-CB 4.41Å; W480-L619 HydrophobicContact CZ3-CB 3.62Å; C487-L619 HydrophobicContact CB-CB 4.29Å; C487-L619 PolarHBondContact N-O 3.09Å; C487-L619 PolarHBondContact O-N 3.01Å; G516-L619 WeakPolarHBondContact O-CD1 3.23Å; R517-L619 WeakPolarHBondContact O-CD1 3.24Å; A518-L619 HydrophobicContact CB-CB 4.12Å; A518-L619 HydrophobicContact CB-CD1 4.4Å |
| 620 | L | 69.7 | Low | 61.7 | Low | 93 Ų | 93 | 62.8 Ų | 62.8 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.1 | 173.6 | -133.7 | 83.3 | 0 | 0 | 0 | 109.6 | K486 T622 | K486-L620 HydrophobicContact CG-CD1 3.91Å; L620-T622 PolarHBondContact O-N 3Å |
| 621 | L | 62 | Low | 58.9 | Low | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | trans | -76.7 | 87.1 | 175.4 | -72.8 | 174.7 | 0 | 0 | 0 | 110.9 | Q482 H485 C487 N623 V624 | Q482-L621 HydrophobicContact CG-CD1 4.34Å; H485-L621 PolarHBondContact O-N 2.6Å; C487-L621 VanDerWaalsContact SG-CD2 3.53Å; C487-L621 WeakPolarHBondContact SG-CG 3.29Å; L621-N623 PolarHBondContact O-N 2.92Å; L621-V624 HydrophobicContact CB-CG2 3.73Å; L621-V624 HydrophobicContact CD1-CG2 3.79Å; L621-V624 HydrophobicContact CG-CG2 4.4Å; L621-V624 PolarHBondContact O-N 3.38Å | ||
| 622 | T | 52.3 | Low | 56.2 | Low | 80 Ų | 80 | 69.9 Ų | 69.9 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 50.9 | 178.7 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | L620 | L620-T622 PolarHBondContact O-N 3Š|
| 623 | N | 42.2 | Very low | 53.4 | Low | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 179.8 | 28.8 | 150.7 | -93.8 | -29.6 | 0 | 0 | 0 | 113.4 | L621 S625 | L621-N623 PolarHBondContact O-N 2.92Å; N623-S625 PolarHBondContact O-N 3.41Å; N623-S625 VanDerWaalsContact O-N 3.15Å |
| 624 | V | 34.2 | Very low | 50.7 | Low | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | trans | -74.8 | 103.9 | 162.8 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | H485 L621 A626 | H485-V624 WeakPolarHBondContact ND1-CG1 3.49Å; L621-V624 HydrophobicContact CB-CG2 3.73Å; L621-V624 HydrophobicContact CD1-CG2 3.79Å; L621-V624 HydrophobicContact CG-CG2 4.4Å; L621-V624 PolarHBondContact O-N 3.38Å; V624-A626 PolarHBondContact O-N 2.73Å | ||
| 625 | S | 26.3 | Very low | 48.1 | Very low | 108 Ų | 108 | 77.8 Ų | 77.8 | 76% | 0.755 | 44% | 0.441 | S | S | * | . | trans | -60.4 | 102 | 176.7 | -48.2 | 0 | 0 | 0 | 0 | 110.6 | N623 | N623-S625 PolarHBondContact O-N 3.41Å; N623-S625 VanDerWaalsContact O-N 3.15Å | ||
| 626 | A | 30 | Very low | 45.4 | Very low | 65 Ų | 65 | 82.9 Ų | 82.9 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | trans | -60 | 127 | 166 | 0 | 0 | 0 | 0 | 0 | 108.2 | V624 S628 | V624-A626 PolarHBondContact O-N 2.73Å; A626-S628 PolarHBondContact O-N 2.84Å | ||
| 627 | P | 25.8 | Very low | 43.1 | Very low | 104 Ų | 104 | 86.4 Ų | 86.4 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | trans | -64.9 | 105.9 | -174.9 | 24.4 | -33 | 0 | 0 | 0 | 110 | H629 P633 | P627-H629 PolarHBondContact O-N 3.16Å; P627-P633 HydrophobicContact CB-CG 4.46Å | ||
| 628 | S | 26.4 | Very low | 41.3 | Very low | 77 Ų | 77 | 92 Ų | 92 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | trans | -61.4 | 109.9 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | A626 D630 Q631 | A626-S628 PolarHBondContact O-N 2.84Å; S628-D630 CarbonylContact O-C 3.58Å; S628-D630 PolarHBondContact O-N 3.44Å; S628-Q631 PolarHBondContact O-N 3.44Å | ||
| 629 | H | 29.6 | Very low | 40.3 | Very low | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -72.8 | 46.9 | 179.9 | -158.6 | -58 | 0 | 0 | 0 | 113 | K462 P627 | K462-H629 VanDerWaalsContact NZ-C 3.31Å; K462-H629 PolarHBondContact NZ-O 2.87Å; P627-H629 PolarHBondContact O-N 3.16Å |
| 630 | D | 27.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 98.5 Ų | 98.5 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -163.3 | 66.6 | 174 | -74.9 | -46.5 | 0 | 0 | 0 | 103.9 | K462 S628 | K462-D630 VanDerWaalsContact NZ-CG 3.25Å; K462-D630 IonicContact NZ-OD1 2.64Å; K462-D630 IonicContact NZ-OD2 2.82Å; K462-D630 PolarHBondContact NZ-OD2 3.43Å; S628-D630 CarbonylContact O-C 3.58Å; S628-D630 PolarHBondContact O-N 3.44Å |
| 631 | Q | 24 | Very low | 40.7 | Very low | 166 Ų | 166 | 97.6 Ų | 97.6 | 78% | 0.776 | 55% | 0.552 | S | S | * | * | S | Bend | cis | -114.8 | 171 | 36.9 | -61.2 | 149 | 11.7 | 0 | 0 | 112.5 | S628 P633 | S628-Q631 PolarHBondContact O-N 3.44Å; Q631-P633 VanDerWaalsContact O-CD 3.22Å; Q631-P633 WeakPolarHBondContact O-CD 3.45Å |
| 632 | I | 26.2 | Very low | 41.6 | Very low | 114 Ų | 114 | 98.8 Ų | 98.8 | 59% | 0.585 | 56% | 0.561 | S | S | * | * | trans | -68.3 | 117.2 | 162.5 | -62 | 168.6 | 0 | 0 | 0 | 107 | ||||
| 633 | P | 26.9 | Very low | 42.6 | Very low | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 57% | 0.567 | S | S | . | * | trans | -72.3 | 134.1 | 173.2 | -12.1 | 29.8 | 0 | 0 | 0 | 109 | P627 Q631 V635 N637 | P627-P633 HydrophobicContact CB-CG 4.46Å; Q631-P633 VanDerWaalsContact O-CD 3.22Å; Q631-P633 WeakPolarHBondContact O-CD 3.45Å; P633-V635 HydrophobicContact CB-CG2 4.45Å; P633-V635 PolarHBondContact O-N 3.36Å; P633-N637 PolarHBondContact O-ND2 2.93Å | ||
| 634 | E | 32 | Very low | 43.8 | Very low | 187 Ų | 187 | 95.8 Ų | 95.8 | 87% | 0.874 | 54% | 0.541 | S | S | * | . | trans | -76 | 63.5 | 178.3 | -66.2 | -174.7 | 128.9 | 0 | 0 | 112 | V636 | E634-V636 PolarHBondContact O-N 3.29Š| ||
| 635 | V | 35.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 97.5 Ų | 97.5 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -75.9 | 72.8 | 163.8 | -172 | 0 | 0 | 0 | 0 | 107.9 | P633 N637 | P633-V635 HydrophobicContact CB-CG2 4.45Å; P633-V635 PolarHBondContact O-N 3.36Å; V635-N637 PolarHBondContact O-N 3.15Å |
| 636 | V | 34.5 | Very low | 46.3 | Very low | 107 Ų | 107 | 98 Ų | 98 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | trans | 38.1 | 60.4 | 173.8 | -163.7 | 0 | 0 | 0 | 0 | 113.1 | E634 N638 | E634-V636 PolarHBondContact O-N 3.29Å; V636-N638 PolarHBondContact O-N 3.15Å | ||
| 637 | N | 41.7 | Very low | 48 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 40% | 0.401 | 56% | 0.564 | S | S | . | * | trans | -72.7 | 54.6 | -176.8 | -92.5 | -62.9 | 0 | 0 | 0 | 113.5 | P633 V635 R652 | P633-N637 PolarHBondContact O-ND2 2.93Å; V635-N637 PolarHBondContact O-N 3.15Å; N637-R652 PolarHBondContact OD1-NH2 3.49Å | ||
| 638 | N | 51.8 | Low | 50.2 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | trans | -86.6 | 119.9 | 166.6 | -73.1 | -19.9 | 0 | 0 | 0 | 109.1 | V636 I640 | V636-N638 PolarHBondContact O-N 3.15Å; N638-I640 HydrophobicContact CB-CG1 4.36Å; N638-I640 WeakPolarHBondContact O-CG1 3.27Å; N638-I640 PolarHBondContact O-N 2.91Å | ||
| 639 | E | 66.9 | Low | 53 | Low | 98 Ų | 98 | 97.7 Ų | 97.7 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | trans | -65 | 111.7 | 156.8 | 175.3 | 177.2 | -172.4 | 0 | 0 | 107.1 | C641 C650 | E639-C641 PolarHBondContact O-N 2.04Å; E639-C650 HydrophobicContact CG-CB 3.69Å; E639-C650 WeakPolarHBondContact OE1-CB 3.48Å | ||
| 640 | I | 78.5 | Confident | 55.6 | Low | 55 Ų | 55 | 92.3 Ų | 92.3 | 28% | 0.282 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.9 | -173.3 | -55.9 | -176.9 | 0 | 0 | 0 | 107.1 | N638 C650 I651 F685 T689 | N638-I640 HydrophobicContact CB-CG1 4.36Å; N638-I640 WeakPolarHBondContact O-CG1 3.27Å; N638-I640 PolarHBondContact O-N 2.91Å; I640-C650 WeakPolarHBondContact O-CA 3.31Å; I640-I651 PolarHBondContact N-O 3.06Å; I640-I651 VanDerWaalsContact N-O 3.07Å; I640-I651 PolarHBondContact O-N 3.42Å; I640-F685 HydrophobicContact CG2-CE2 4.09Å; I640-F685 HydrophobicContact CG2-CZ 3.9Å; I640-F685 VanDerWaalsContact O-CZ 3.32Å; I640-F685 WeakPolarHBondContact O-CZ 3.08Å; I640-T689 HydrophobicContact CB-CG2 4.09Å; I640-T689 HydrophobicContact CD1-CG2 3.43Å; I640-T689 VanDerWaalsContact CD1-CG2 3.43Å; I640-T689 HydrophobicContact CG1-CG2 4.28Å; I640-T689 HydrophobicContact CG2-CG2 3.95Å |
| 641 | C | 80.4 | Confident | 58.4 | Low | 73 Ų | 73 | 87 Ų | 87 | 49% | 0.493 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143 | -176.5 | -68.7 | 0 | 0 | 0 | 0 | 112 | E639 Y649 C650 | E639-C641 PolarHBondContact O-N 2.04Å; C641-Y649 WeakPolarHBondContact CA-O 3.38Å; C641-C650 HydrophobicContact CB-CB 4.06Å; C641-C650 WeakPolarHBondContact CB-SG 3.43Å; C641-C650 WeakPolarHBondContact SG-CB 3.42Å; C641-C650 CovalentContact SG-SG 2.04Å; C641-C650 PolarHBondContact SG-SG 3.5Å |
| 642 | T | 80.7 | Confident | 61.3 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 31% | 0.313 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.8 | 165.8 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | I644 P648 Y649 F685 | T642-I644 HydrophobicContact CG2-CD1 3.53Å; T642-I644 HydrophobicContact CG2-CG1 3.64Å; T642-P648 WeakPolarHBondContact O-CA 3.43Å; T642-Y649 PolarHBondContact N-O 2.89Å; T642-Y649 PolarHBondContact O-N 3.47Å; T642-F685 HydrophobicContact CG2-CB 4.31Å; T642-F685 HydrophobicContact CG2-CD1 3.6Å; T642-F685 HydrophobicContact CG2-CD2 3.55Å; T642-F685 HydrophobicContact CG2-CE1 3.64Å; T642-F685 HydrophobicContact CG2-CE2 3.62Å; T642-F685 HydrophobicContact CG2-CG 3.53Å; T642-F685 HydrophobicContact CG2-CZ 3.64Å |
| 643 | N | 73.4 | Confident | 64 | Low | 118 Ų | 118 | 78.7 Ų | 78.7 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 74.6 | 172.6 | -80.7 | -42.4 | 0 | 0 | 0 | 110.6 | K647 P648 | N643-K647 CarbonylContact C-O 3.54Å; N643-K647 WeakPolarHBondContact CA-O 3.26Å; N643-P648 WeakPolarHBondContact OD1-CA 3.3Å |
| 644 | I | 67.1 | Low | 66.6 | Low | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.056 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 128.6 | 171.8 | -77.8 | 161 | 0 | 0 | 0 | 109.2 | T642 S646 K647 Y649 E681 H682 F685 | T642-I644 HydrophobicContact CG2-CD1 3.53Å; T642-I644 HydrophobicContact CG2-CG1 3.64Å; I644-S646 PolarHBondContact O-N 3.26Å; I644-K647 PolarHBondContact N-O 2.63Å; I644-K647 PolarHBondContact O-N 3.09Å; I644-K647 VanDerWaalsContact O-O 3.05Å; I644-Y649 HydrophobicContact CD1-CD1 4.05Å; I644-E681 HydrophobicContact CD1-CB 4.22Å; I644-E681 HydrophobicContact CG1-CB 4.08Å; I644-E681 HydrophobicContact CG2-CB 4.21Å; I644-E681 WeakPolarHBondContact CG2-OE2 3.31Å; I644-H682 HydrophobicContact CD1-CB 4.47Å; I644-H682 VanDerWaalsContact CG2-CE1 3.4Å; I644-H682 WeakPolarHBondContact CG2-CE1 3.34Å; I644-F685 HydrophobicContact CD1-CB 4.03Å; I644-F685 HydrophobicContact CD1-CD1 4.44Å; I644-F685 HydrophobicContact CD1-CG 4.39Å |
| 645 | S | 57.7 | Low | 68.5 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 42.1 | 179.7 | -68.6 | 0 | 0 | 0 | 0 | 114.5 | K647 | S645-K647 PolarHBondContact O-N 2.74Š|
| 646 | S | 55.4 | Low | 70.2 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 84% | 0.839 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 19.1 | -179.5 | -56.3 | 0 | 0 | 0 | 0 | 116.1 | I644 | I644-S646 PolarHBondContact O-N 3.26Š|
| 647 | K | 65.7 | Low | 72.1 | Confident | 143 Ų | 143 | 69.9 Ų | 69.9 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.6 | 168.2 | -66.1 | 176 | -175.7 | 169.2 | 0 | 109.8 | N643 I644 S645 Y649 | N643-K647 CarbonylContact C-O 3.54Å; N643-K647 WeakPolarHBondContact CA-O 3.26Å; I644-K647 PolarHBondContact N-O 2.63Å; I644-K647 PolarHBondContact O-N 3.09Å; I644-K647 VanDerWaalsContact O-O 3.05Å; S645-K647 PolarHBondContact O-N 2.74Å; K647-Y649 PolarHBondContact O-N 3.04Å |
| 648 | P | 73.3 | Confident | 73.6 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 118.5 | 169.9 | 28.5 | -32.9 | 0 | 0 | 0 | 109.4 | T642 N643 | T642-P648 WeakPolarHBondContact O-CA 3.43Å; N643-P648 WeakPolarHBondContact OD1-CA 3.3Å |
| 649 | Y | 84.3 | Confident | 74.8 | Confident | 6 Ų | 6 | 62 Ų | 62 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.3 | 166.3 | 180 | -106.9 | 0 | 0 | 0 | 108 | C641 T642 I644 K647 I651 T676 H682 F685 S765 I768 | C641-Y649 WeakPolarHBondContact CA-O 3.38Å; T642-Y649 PolarHBondContact N-O 2.89Å; T642-Y649 PolarHBondContact O-N 3.47Å; I644-Y649 HydrophobicContact CD1-CD1 4.05Å; K647-Y649 PolarHBondContact O-N 3.04Å; Y649-I651 HydrophobicContact CD1-CG2 4.18Å; Y649-I651 HydrophobicContact CE1-CG2 3.36Å; Y649-T676 PolarHBondContact OH-O 2.87Å; Y649-H682 AromaticContact CD1-CD2 3.62Å; Y649-H682 AromaticContact CD2-CD2 3.71Å; Y649-H682 HydrophobicContact CE1-CB 4.41Å; Y649-H682 AromaticContact CE1-CD2 3.72Å; Y649-H682 AromaticContact CE2-CD2 3.83Å; Y649-H682 AromaticContact CG-CD2 3.6Å; Y649-H682 AromaticContact CZ-CD2 3.83Å; Y649-F685 AromaticContact CD1-CD1 3.7Å; Y649-F685 HydrophobicContact CD1-CD1 3.7Å; Y649-F685 AromaticContact CD1-CE1 3.93Å; Y649-F685 HydrophobicContact CD1-CE1 3.93Å; Y649-F685 AromaticContact CE1-CD1 3.91Å; Y649-F685 HydrophobicContact CE1-CD1 3.91Å; Y649-F685 HydrophobicContact CE1-CE1 4.27Å; Y649-S765 VanDerWaalsContact OH-CB 3.23Å; Y649-S765 WeakPolarHBondContact OH-CB 3.49Å; Y649-I768 HydrophobicContact CD2-CD1 3.95Å; Y649-I768 HydrophobicContact CD2-CG1 4.13Å; Y649-I768 HydrophobicContact CE2-CD1 3.69Å; Y649-I768 HydrophobicContact CE2-CG1 4.05Å |
| 650 | C | 83.6 | Confident | 75.6 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.4 | -174.3 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | E639 I640 C641 S765 T766 | E639-C650 HydrophobicContact CG-CB 3.69Å; E639-C650 WeakPolarHBondContact OE1-CB 3.48Å; I640-C650 WeakPolarHBondContact O-CA 3.31Å; C641-C650 HydrophobicContact CB-CB 4.06Å; C641-C650 WeakPolarHBondContact CB-SG 3.43Å; C641-C650 WeakPolarHBondContact SG-CB 3.42Å; C641-C650 CovalentContact SG-SG 2.04Å; C641-C650 PolarHBondContact SG-SG 3.5Å; C650-S765 WeakPolarHBondContact O-CA 3.04Å; C650-T766 HydrophobicContact CB-CG2 3.93Å; C650-T766 PolarHBondContact N-OG1 2.75Å; C650-T766 PolarHBondContact O-N 3.23Å; C650-T766 VanDerWaalsContact O-N 3.14Å |
| 651 | I | 87.2 | Confident | 75.6 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.9 | -179.6 | 64 | -179.6 | 0 | 0 | 0 | 111.6 | I640 Y649 F685 I686 T689 I763 C764 | I640-I651 PolarHBondContact N-O 3.06Å; I640-I651 VanDerWaalsContact N-O 3.07Å; I640-I651 PolarHBondContact O-N 3.42Å; Y649-I651 HydrophobicContact CD1-CG2 4.18Å; Y649-I651 HydrophobicContact CE1-CG2 3.36Å; I651-F685 HydrophobicContact CB-CE1 4.49Å; I651-F685 HydrophobicContact CD1-CD1 4.03Å; I651-F685 HydrophobicContact CD1-CE1 3.75Å; I651-F685 HydrophobicContact CD1-CZ 4.35Å; I651-F685 HydrophobicContact CG1-CD1 4.46Å; I651-F685 HydrophobicContact CG1-CE1 3.73Å; I651-F685 HydrophobicContact CG1-CZ 4.25Å; I651-F685 HydrophobicContact CG2-CE1 4.16Å; I651-I686 HydrophobicContact CD1-CB 4.34Å; I651-I686 HydrophobicContact CD1-CG1 3.79Å; I651-I686 HydrophobicContact CG2-CG1 4.12Å; I651-T689 HydrophobicContact CD1-CG2 4.06Å; I651-I763 HydrophobicContact CB-CG2 4.17Å; I651-I763 HydrophobicContact CG2-CG2 4.45Å; I651-C764 CarbonylContact C-O 3.48Å; I651-C764 VanDerWaalsContact CA-O 3.28Å; I651-C764 WeakPolarHBondContact CA-O 3.27Å |
| 652 | R | 84.6 | Confident | 75.1 | Confident | 52 Ų | 52 | 63 Ų | 63 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 109.5 | 170.8 | -167 | 179.8 | -159 | 138.7 | 6.2 | 108.5 | N637 I654 M672 C764 | N637-R652 PolarHBondContact OD1-NH2 3.49Å; R652-I654 HydrophobicContact CG-CG1 4.3Å; R652-M672 HydrophobicContact CB-CE 4.16Å; R652-M672 HydrophobicContact CB-SD 3.99Å; R652-C764 HydrophobicContact CB-CB 4.41Å; R652-C764 PolarHBondContact N-O 3.24Å; R652-C764 PolarHBondContact O-N 2.82Å |
| 653 | Y | 83 | Confident | 74.9 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.9 | 167.8 | 177.3 | -125.3 | 0 | 0 | 0 | 109.1 | L690 T694 A702 P761 I763 | Y653-L690 HydrophobicContact CD1-CD2 4.02Å; Y653-L690 HydrophobicContact CD2-CD2 3.47Å; Y653-L690 VanDerWaalsContact CD2-CD2 3.47Å; Y653-L690 HydrophobicContact CE2-CD2 4.04Å; Y653-L690 HydrophobicContact CG-CD2 3.46Å; Y653-L690 VanDerWaalsContact CG-CD2 3.46Å; Y653-T694 HydrophobicContact CE1-CG2 4.17Å; Y653-A702 HydrophobicContact CE2-CB 4Å; Y653-P761 HydrophobicContact CE2-CB 3.72Å; Y653-I763 HydrophobicContact CD2-CG1 4.25Å |
| 654 | I | 82.2 | Confident | 75.2 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 107.8 | 174.9 | -64.1 | 172.6 | 0 | 0 | 0 | 106.8 | R652 Q656 V666 Y670 P761 Y762 | R652-I654 HydrophobicContact CG-CG1 4.3Å; I654-Q656 HydrophobicContact CG2-CB 3.86Å; I654-Q656 PolarHBondContact O-N 2.92Å; I654-V666 HydrophobicContact CD1-CG1 4.25Å; I654-Y670 HydrophobicContact CD1-CD2 4.2Å; I654-Y670 HydrophobicContact CD1-CE2 3.8Å; I654-P761 WeakPolarHBondContact O-CA 3.5Å; I654-P761 WeakPolarHBondContact O-CB 3.36Å; I654-Y762 HydrophobicContact CB-CD1 4.47Å; I654-Y762 HydrophobicContact CB-CD2 4.17Å; I654-Y762 HydrophobicContact CB-CE1 4.25Å; I654-Y762 HydrophobicContact CB-CE2 3.97Å; I654-Y762 HydrophobicContact CB-CG 4.42Å; I654-Y762 HydrophobicContact CD1-CD2 4.14Å; I654-Y762 HydrophobicContact CD1-CE2 3.52Å; I654-Y762 HydrophobicContact CG1-CE2 4.3Å; I654-Y762 HydrophobicContact CG2-CD1 4.37Å; I654-Y762 HydrophobicContact CG2-CE1 3.73Å; I654-Y762 HydrophobicContact CG2-CE2 4.02Å; I654-Y762 PolarHBondContact N-O 3.4Å; I654-Y762 PolarHBondContact O-N 3.47Å |
| 655 | S | 71.4 | Confident | 75.4 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -4.3 | -179.3 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 656 | Q | 71 | Confident | 76.1 | Confident | 133 Ų | 133 | 59.9 Ų | 59.9 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.8 | 175.6 | -177.1 | 175.6 | -2.4 | 0 | 0 | 109.9 | I654 Y762 | I654-Q656 HydrophobicContact CG2-CB 3.86Å; I654-Q656 PolarHBondContact O-N 2.92Å; Q656-Y762 WeakPolarHBondContact O-CD1 3.42Å; Q656-Y762 VanDerWaalsContact O-CE1 3.24Å; Q656-Y762 WeakPolarHBondContact O-CE1 3.36Å |
| 657 | L | 74.7 | Confident | 77.3 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.5 | 177.6 | -48.1 | -177.4 | 0 | 0 | 0 | 110.6 | L699 P759 L760 P761 | L657-L699 HydrophobicContact CD2-CD1 4.19Å; L657-L699 HydrophobicContact CD2-CD2 4.03Å; L657-P759 HydrophobicContact CB-CB 4.14Å; L657-L760 CarbonylContact C-O 3.42Å; L657-L760 WeakPolarHBondContact CA-O 3.1Å; L657-P761 HydrophobicContact CD2-CG 3.8Å |
| 658 | A | 73.2 | Confident | 77.7 | Confident | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 152.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E662 A663 Y703 P759 L760 Y762 | A658-E662 HydrophobicContact CB-CB 3.97Å; A658-A663 HydrophobicContact CB-CB 4.4Å; A658-Y703 WeakPolarHBondContact O-CE2 3.48Å; A658-P759 WeakPolarHBondContact O-CA 3.39Å; A658-L760 PolarHBondContact N-O 3.18Å; A658-L760 PolarHBondContact O-N 2.88Å; A658-L760 VanDerWaalsContact O-O 3.13Å; A658-Y762 HydrophobicContact CB-CD1 3.97Å; A658-Y762 HydrophobicContact CB-CE1 3.48Å; A658-Y762 VanDerWaalsContact CB-CE1 3.48Å |
| 659 | T | 76.9 | Confident | 77.5 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | trans | -68.6 | 162 | 170.4 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | Y661 E662 A663 T757 | T659-Y661 PolarHBondContact O-N 3.01Å; T659-Y661 VanDerWaalsContact O-N 3.15Å; T659-E662 VanDerWaalsContact CB-OE2 3.3Å; T659-E662 WeakPolarHBondContact CB-OE2 3.44Å; T659-E662 WeakPolarHBondContact CG2-OE2 3.35Å; T659-E662 PolarHBondContact N-OE2 2.8Å; T659-E662 PolarHBondContact O-N 3.28Å; T659-E662 VanDerWaalsContact O-N 3.1Å; T659-E662 VanDerWaalsContact OG1-CD 3.26Å; T659-E662 WeakPolarHBondContact OG1-CG 3.25Å; T659-E662 PolarHBondContact OG1-OE2 2.9Å; T659-A663 VanDerWaalsContact O-CB 3.3Å; T659-A663 WeakPolarHBondContact O-CB 3.43Å; T659-A663 PolarHBondContact O-N 2.76Å; T659-T757 VanDerWaalsContact CG2-O 3.29Å; T659-T757 WeakPolarHBondContact CG2-O 3.16Å | ||
| 660 | F | 82.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.7 | -37.2 | -176.5 | 179.9 | -90.4 | 0 | 0 | 0 | 113.1 | D664 L674 Y703 I704 F707 I716 C738 C756 | F660-D664 PolarHBondContact O-N 3.12Å; F660-L674 HydrophobicContact CD2-CD1 3.91Å; F660-L674 HydrophobicContact CE1-CD1 4.39Å; F660-L674 HydrophobicContact CE2-CD1 3.75Å; F660-L674 HydrophobicContact CG-CD1 4.33Å; F660-L674 HydrophobicContact CZ-CD1 4Å; F660-Y703 HydrophobicContact CB-CD1 4.48Å; F660-Y703 HydrophobicContact CB-CE1 4.16Å; F660-Y703 HydrophobicContact CB-CE2 4.3Å; F660-Y703 AromaticContact CD2-CD1 3.92Å; F660-Y703 HydrophobicContact CD2-CD1 3.92Å; F660-Y703 HydrophobicContact CD2-CE1 4.24Å; F660-Y703 HydrophobicContact CD2-CG 4.33Å; F660-I704 WeakPolarHBondContact CE2-O 3.48Å; F660-F707 HydrophobicContact CE1-CB 4.23Å; F660-F707 HydrophobicContact CE1-CD1 4.26Å; F660-F707 HydrophobicContact CE1-CG 4.27Å; F660-F707 HydrophobicContact CE2-CB 4.32Å; F660-F707 HydrophobicContact CZ-CB 3.82Å; F660-F707 AromaticContact CZ-CD1 3.88Å; F660-F707 HydrophobicContact CZ-CD1 3.88Å; F660-F707 HydrophobicContact CZ-CG 4.07Å; F660-I716 HydrophobicContact CE1-CD1 3.87Å; F660-I716 HydrophobicContact CZ-CD1 4.34Å; F660-C738 HydrophobicContact CB-CB 4.19Å; F660-C738 VanDerWaalsContact CD1-SG 3.53Å; F660-C738 HydrophobicContact CD2-CB 3.57Å; F660-C738 VanDerWaalsContact CD2-SG 3.51Å; F660-C738 HydrophobicContact CE2-CB 4.02Å; F660-C738 HydrophobicContact CG-CB 3.92Å; F660-C738 WeakPolarHBondContact CG-SG 3.3Å; F660-C756 HydrophobicContact CB-CB 4.06Å; F660-C756 WeakPolarHBondContact CB-O 3.41Å; F660-C756 PolarHBondContact N-O 3.07Å; F660-C756 VanDerWaalsContact N-O 3.09Å |
| 661 | Y | 78.7 | Confident | 76.3 | Confident | 140 Ų | 140 | 66.3 Ų | 66.3 | 55% | 0.549 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.6 | -35.8 | 179.8 | -53.7 | -67.5 | 0 | 0 | 0 | 113 | T659 Y665 C756 | T659-Y661 PolarHBondContact O-N 3.01Å; T659-Y661 VanDerWaalsContact O-N 3.15Å; Y661-Y665 PolarHBondContact O-N 2.75Å; Y661-Y665 VanDerWaalsContact O-N 3.13Å; Y661-C756 HydrophobicContact CE2-CB 3.85Å |
| 662 | E | 69.7 | Low | 76.1 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 173.5 | -68.1 | 165.4 | 135.4 | 0 | 0 | 111.1 | A658 T659 Y665 V666 | A658-E662 HydrophobicContact CB-CB 3.97Å; T659-E662 VanDerWaalsContact CB-OE2 3.3Å; T659-E662 WeakPolarHBondContact CB-OE2 3.44Å; T659-E662 WeakPolarHBondContact CG2-OE2 3.35Å; T659-E662 PolarHBondContact N-OE2 2.8Å; T659-E662 PolarHBondContact O-N 3.28Å; T659-E662 VanDerWaalsContact O-N 3.1Å; T659-E662 VanDerWaalsContact OG1-CD 3.26Å; T659-E662 WeakPolarHBondContact OG1-CG 3.25Å; T659-E662 PolarHBondContact OG1-OE2 2.9Å; E662-Y665 WeakPolarHBondContact O-CB 3.47Å; E662-Y665 PolarHBondContact O-N 2.96Å; E662-V666 WeakPolarHBondContact O-CG2 3.24Å; E662-V666 PolarHBondContact O-N 2.79Å |
| 663 | A | 78 | Confident | 76 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A658 T659 V666 C667 L674 Y762 | A658-A663 HydrophobicContact CB-CB 4.4Å; T659-A663 VanDerWaalsContact O-CB 3.3Å; T659-A663 WeakPolarHBondContact O-CB 3.43Å; T659-A663 PolarHBondContact O-N 2.76Å; A663-V666 PolarHBondContact O-N 2.77Å; A663-C667 PolarHBondContact O-N 3.03Å; A663-C667 PolarHBondContact O-SG 3.28Å; A663-L674 HydrophobicContact CB-CD1 4.42Å; A663-L674 HydrophobicContact CB-CD2 3.84Å; A663-Y762 HydrophobicContact CB-CD1 3.8Å; A663-Y762 HydrophobicContact CB-CD2 3.67Å; A663-Y762 HydrophobicContact CB-CE1 4.26Å; A663-Y762 HydrophobicContact CB-CE2 4.11Å; A663-Y762 HydrophobicContact CB-CG 3.5Å |
| 664 | D | 79.6 | Confident | 76.3 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 169.6 | 176.6 | 44.9 | 0 | 0 | 0 | 112 | F660 V666 C667 R668 L674 I716 | F660-D664 PolarHBondContact O-N 3.12Å; D664-V666 VanDerWaalsContact C-N 3.35Å; D664-V666 PolarHBondContact O-N 2.98Å; D664-C667 PolarHBondContact O-N 3.03Å; D664-R668 VanDerWaalsContact O-CG 3.26Å; D664-R668 WeakPolarHBondContact O-CG 3.44Å; D664-R668 PolarHBondContact O-N 2.69Å; D664-R668 IonicContact OD1-CZ 3.66Å; D664-R668 IonicContact OD1-NE 3.27Å; D664-R668 PolarHBondContact OD1-NE 2.82Å; D664-R668 IonicContact OD1-NH2 3.39Å; D664-R668 PolarHBondContact OD1-NH2 2.87Å; D664-R668 IonicContact OD2-CZ 2.8Å; D664-R668 IonicContact OD2-NE 3.97Å; D664-R668 PolarHBondContact OD2-NE 2.96Å; D664-R668 IonicContact OD2-NH2 3.4Å; D664-R668 PolarHBondContact OD2-NH2 2.72Å; D664-L674 HydrophobicContact CB-CD1 3.93Å; D664-L674 HydrophobicContact CB-CG 4.37Å; D664-I716 HydrophobicContact CB-CD1 3.99Å; D664-I716 VanDerWaalsContact CG-CD1 3.46Å; D664-I716 WeakPolarHBondContact OD2-CD1 3.42Å |
| 665 | Y | 70.3 | Confident | 76.6 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -43.1 | 176.3 | 177.4 | -101.6 | 0 | 0 | 0 | 112.7 | Y661 E662 R668 N669 | Y661-Y665 PolarHBondContact O-N 2.75Å; Y661-Y665 VanDerWaalsContact O-N 3.13Å; E662-Y665 WeakPolarHBondContact O-CB 3.47Å; E662-Y665 PolarHBondContact O-N 2.96Å; Y665-R668 PolarHBondContact O-N 2.81Å; Y665-N669 WeakPolarHBondContact CE1-ND2 3.46Å; Y665-N669 PolarHBondContact O-N 3.44Å; Y665-N669 VanDerWaalsContact O-N 3.15Å; Y665-N669 PolarHBondContact O-ND2 2.91Å |
| 666 | V | 72.1 | Confident | 77.3 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.9 | -39.5 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | I654 E662 A663 D664 R668 N669 Y670 Y762 | I654-V666 HydrophobicContact CD1-CG1 4.25Å; E662-V666 WeakPolarHBondContact O-CG2 3.24Å; E662-V666 PolarHBondContact O-N 2.79Å; A663-V666 PolarHBondContact O-N 2.77Å; D664-V666 VanDerWaalsContact C-N 3.35Å; D664-V666 PolarHBondContact O-N 2.98Å; V666-R668 VanDerWaalsContact C-N 3.3Å; V666-R668 PolarHBondContact O-N 3.12Å; V666-N669 WeakPolarHBondContact O-CB 3.45Å; V666-N669 PolarHBondContact O-N 2.89Å; V666-Y670 HydrophobicContact CG1-CD2 4.11Å; V666-Y670 HydrophobicContact CG1-CE2 3.72Å; V666-Y670 VanDerWaalsContact O-CD2 3.29Å; V666-Y670 WeakPolarHBondContact O-CD2 3.2Å; V666-Y670 PolarHBondContact O-N 2.78Å; V666-Y762 HydrophobicContact CB-CE2 3.96Å; V666-Y762 VanDerWaalsContact CB-OH 3.32Å; V666-Y762 WeakPolarHBondContact CB-OH 3.28Å; V666-Y762 HydrophobicContact CG1-CE2 4.04Å; V666-Y762 WeakPolarHBondContact CG1-OH 3.43Å |
| 667 | C | 81.8 | Confident | 78 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 173.4 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | A663 D664 N669 Y670 N671 M672 C764 | A663-C667 PolarHBondContact O-N 3.03Å; A663-C667 PolarHBondContact O-SG 3.28Å; D664-C667 PolarHBondContact O-N 3.03Å; C667-N669 VanDerWaalsContact C-N 3.31Å; C667-N669 PolarHBondContact O-N 3.03Å; C667-Y670 CarbonylContact O-C 3.48Å; C667-Y670 WeakPolarHBondContact O-CA 3.26Å; C667-Y670 WeakPolarHBondContact O-CB 3.2Å; C667-Y670 PolarHBondContact O-N 2.88Å; C667-N671 PolarHBondContact O-N 2.9Å; C667-M672 CarbonylContact C-O 3.53Å; C667-M672 HydrophobicContact CB-CB 4.43Å; C667-M672 CarbonylContact O-C 3.55Å; C667-M672 PolarHBondContact O-N 3.02Å; C667-C764 WeakPolarHBondContact CA-SG 3.42Å; C667-C764 HydrophobicContact CB-CB 3.8Å; C667-C764 WeakPolarHBondContact CB-SG 3.11Å; C667-C764 VanDerWaalsContact SG-CA 3.51Å; C667-C764 WeakPolarHBondContact SG-CB 3.23Å; C667-C764 CovalentContact SG-SG 2.04Å; C667-C764 PolarHBondContact SG-SG 2.91Å |
| 668 | R | 74.5 | Confident | 78.1 | Confident | 140 Ų | 140 | 49 Ų | 49 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -36.6 | 175.6 | -70.5 | 172.7 | -167.3 | -137.2 | 12.8 | 112.7 | D664 Y665 V666 Y670 N671 M672 | D664-R668 VanDerWaalsContact O-CG 3.26Å; D664-R668 WeakPolarHBondContact O-CG 3.44Å; D664-R668 PolarHBondContact O-N 2.69Å; D664-R668 IonicContact OD1-CZ 3.66Å; D664-R668 IonicContact OD1-NE 3.27Å; D664-R668 PolarHBondContact OD1-NE 2.82Å; D664-R668 IonicContact OD1-NH2 3.39Å; D664-R668 PolarHBondContact OD1-NH2 2.87Å; D664-R668 IonicContact OD2-CZ 2.8Å; D664-R668 IonicContact OD2-NE 3.97Å; D664-R668 PolarHBondContact OD2-NE 2.96Å; D664-R668 IonicContact OD2-NH2 3.4Å; D664-R668 PolarHBondContact OD2-NH2 2.72Å; Y665-R668 PolarHBondContact O-N 2.81Å; V666-R668 VanDerWaalsContact C-N 3.3Å; V666-R668 PolarHBondContact O-N 3.12Å; R668-Y670 PolarHBondContact O-N 3.48Å; R668-N671 PolarHBondContact O-N 2.86Å; R668-M672 WeakPolarHBondContact CA-O 3.38Å; R668-M672 PolarHBondContact N-O 3.02Å |
| 669 | N | 68 | Low | 78.2 | Confident | 101 Ų | 101 | 50 Ų | 50 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -20.7 | 173.8 | -72.5 | -29.4 | 0 | 0 | 0 | 113.3 | Y665 V666 C667 | Y665-N669 WeakPolarHBondContact CE1-ND2 3.46Å; Y665-N669 PolarHBondContact O-N 3.44Å; Y665-N669 VanDerWaalsContact O-N 3.15Å; Y665-N669 PolarHBondContact O-ND2 2.91Å; V666-N669 WeakPolarHBondContact O-CB 3.45Å; V666-N669 PolarHBondContact O-N 2.89Å; C667-N669 VanDerWaalsContact C-N 3.31Å; C667-N669 PolarHBondContact O-N 3.03Å |
| 670 | Y | 70.9 | Confident | 78 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 7.8 | 170.7 | -69.3 | -64.5 | 0 | 0 | 0 | 114.1 | I654 V666 C667 R668 M672 | I654-Y670 HydrophobicContact CD1-CD2 4.2Å; I654-Y670 HydrophobicContact CD1-CE2 3.8Å; V666-Y670 HydrophobicContact CG1-CD2 4.11Å; V666-Y670 HydrophobicContact CG1-CE2 3.72Å; V666-Y670 VanDerWaalsContact O-CD2 3.29Å; V666-Y670 WeakPolarHBondContact O-CD2 3.2Å; V666-Y670 PolarHBondContact O-N 2.78Å; C667-Y670 CarbonylContact O-C 3.48Å; C667-Y670 WeakPolarHBondContact O-CA 3.26Å; C667-Y670 WeakPolarHBondContact O-CB 3.2Å; C667-Y670 PolarHBondContact O-N 2.88Å; R668-Y670 PolarHBondContact O-N 3.48Å; Y670-M672 PolarHBondContact O-N 2.83Å |
| 671 | N | 73.1 | Confident | 77.8 | Confident | 161 Ų | 161 | 57.3 Ų | 57.3 | 86% | 0.861 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27 | -168 | -60.6 | -51.3 | 0 | 0 | 0 | 113.9 | C667 R668 | C667-N671 PolarHBondContact O-N 2.9Å; R668-N671 PolarHBondContact O-N 2.86Å |
| 672 | M | 82.2 | Confident | 78.1 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | trans | -111.9 | 168.5 | 176.6 | -65.7 | 178.3 | 111.2 | 0 | 0 | 110 | R652 C667 R668 Y670 C764 S765 | R652-M672 HydrophobicContact CB-CE 4.16Å; R652-M672 HydrophobicContact CB-SD 3.99Å; C667-M672 CarbonylContact C-O 3.53Å; C667-M672 HydrophobicContact CB-CB 4.43Å; C667-M672 CarbonylContact O-C 3.55Å; C667-M672 PolarHBondContact O-N 3.02Å; R668-M672 WeakPolarHBondContact CA-O 3.38Å; R668-M672 PolarHBondContact N-O 3.02Å; Y670-M672 PolarHBondContact O-N 2.83Å; M672-C764 HydrophobicContact CB-CB 3.81Å; M672-C764 HydrophobicContact CE-CB 4.48Å; M672-C764 HydrophobicContact CG-CB 4.4Å; M672-C764 HydrophobicContact SD-CB 3.71Å; M672-S765 WeakPolarHBondContact CA-O 3.33Å; M672-S765 VanDerWaalsContact CB-O 3.31Å; M672-S765 WeakPolarHBondContact CB-O 3.23Å | ||
| 673 | T | 82.3 | Confident | 78.9 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 168.2 | 163.2 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | C764 S765 | T673-C764 CarbonylContact O-C 3.55Å; T673-C764 WeakPolarHBondContact O-CA 3.15Å; T673-S765 PolarHBondContact N-O 2.79Å; T673-S765 PolarHBondContact O-N 3.31Å |
| 674 | L | 88.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 146 | 157.2 | -78.9 | 170.2 | 0 | 0 | 0 | 109.8 | F660 A663 D664 T676 G705 I716 Y762 | F660-L674 HydrophobicContact CD2-CD1 3.91Å; F660-L674 HydrophobicContact CE1-CD1 4.39Å; F660-L674 HydrophobicContact CE2-CD1 3.75Å; F660-L674 HydrophobicContact CG-CD1 4.33Å; F660-L674 HydrophobicContact CZ-CD1 4Å; A663-L674 HydrophobicContact CB-CD1 4.42Å; A663-L674 HydrophobicContact CB-CD2 3.84Å; D664-L674 HydrophobicContact CB-CD1 3.93Å; D664-L674 HydrophobicContact CB-CG 4.37Å; L674-T676 PolarHBondContact O-N 3.03Å; L674-G705 VanDerWaalsContact CB-CA 3.4Å; L674-I716 HydrophobicContact CB-CG2 4.06Å; L674-I716 HydrophobicContact CD1-CG2 4.48Å; L674-Y762 HydrophobicContact CD2-CD2 4.33Å |
| 675 | A | 88.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 124.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V677 I704 G705 W715 I763 S765 | A675-V677 HydrophobicContact CB-CG2 4.38Å; A675-I704 HydrophobicContact CB-CB 4.49Å; A675-I704 HydrophobicContact CB-CG2 4.25Å; A675-G705 PolarHBondContact O-N 2.8Å; A675-W715 VanDerWaalsContact O-CZ3 3.27Å; A675-W715 WeakPolarHBondContact O-CZ3 3.43Å; A675-I763 HydrophobicContact CB-CB 3.86Å; A675-I763 HydrophobicContact CB-CG2 3.77Å; A675-I763 VanDerWaalsContact CB-O 3.29Å; A675-I763 WeakPolarHBondContact CB-O 3.43Å; A675-I763 PolarHBondContact N-O 2.89Å; A675-S765 WeakPolarHBondContact CA-OG 3.39Å |
| 676 | T | 86.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -96.2 | 123.4 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | Y649 L674 P678 W715 S717 Y719 S765 I768 | Y649-T676 PolarHBondContact OH-O 2.87Å; L674-T676 PolarHBondContact O-N 3.03Å; T676-P678 VanDerWaalsContact O-CD 3.28Å; T676-P678 WeakPolarHBondContact O-CD 3.28Å; T676-W715 HydrophobicContact CG2-CD2 4.03Å; T676-W715 HydrophobicContact CG2-CE3 4.15Å; T676-W715 HydrophobicContact CG2-CG 4.34Å; T676-S717 WeakPolarHBondContact OG1-CB 3.3Å; T676-S717 PolarHBondContact OG1-OG 3.04Å; T676-Y719 HydrophobicContact CG2-CD1 4.22Å; T676-Y719 HydrophobicContact CG2-CG 3.94Å; T676-S765 PolarHBondContact N-OG 2.78Å; T676-S765 VanDerWaalsContact N-OG 3.13Å; T676-I768 HydrophobicContact CG2-CD1 4.15Å; T676-I768 WeakPolarHBondContact O-CD1 3.2Å |
| 677 | V | 86.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -123.7 | 83.4 | -168.9 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | A675 H682 Q683 I686 I704 W715 F726 W751 | A675-V677 HydrophobicContact CB-CG2 4.38Å; V677-H682 HydrophobicContact CG1-CB 3.99Å; V677-Q683 HydrophobicContact CG1-CB 3.91Å; V677-I686 HydrophobicContact CB-CD1 4.45Å; V677-I686 HydrophobicContact CG1-CD1 4.2Å; V677-I686 HydrophobicContact CG2-CD1 3.45Å; V677-I686 VanDerWaalsContact CG2-CD1 3.45Å; V677-I704 HydrophobicContact CG2-CG2 4.37Å; V677-W715 HydrophobicContact CB-CH2 3.93Å; V677-W715 HydrophobicContact CG2-CH2 4.36Å; V677-W715 VanDerWaalsContact N-CH2 3.28Å; V677-F726 HydrophobicContact CG1-CE2 4.39Å; V677-W751 HydrophobicContact CB-CZ2 3.92Å; V677-W751 HydrophobicContact CG1-CZ2 4.12Å | ||
| 678 | P | 76.8 | Confident | 80.1 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | trans | -93.7 | -1.6 | -169.3 | 37.4 | -39.5 | 0 | 0 | 0 | 115.1 | T676 Y719 P723 I768 | T676-P678 VanDerWaalsContact O-CD 3.28Å; T676-P678 WeakPolarHBondContact O-CD 3.28Å; P678-Y719 HydrophobicContact CB-CE1 3.69Å; P678-P723 VanDerWaalsContact CA-CG 3.43Å; P678-P723 HydrophobicContact CB-CG 3.77Å; P678-P723 WeakPolarHBondContact O-CB 3.45Å; P678-P723 WeakPolarHBondContact O-CG 3.3Å; P678-I768 HydrophobicContact CG-CD1 3.63Å | ||
| 679 | S | 74.6 | Confident | 80.2 | Confident | 31 Ų | 31 | 41 Ų | 41 | 22% | 0.217 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -156.7 | 168.6 | 176.8 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | E681 H682 Q683 | S679-E681 VanDerWaalsContact C-N 3.27Å; S679-E681 PolarHBondContact O-N 2.71Å; S679-E681 PolarHBondContact OG-N 2.85Å; S679-H682 PolarHBondContact O-N 2.04Å; S679-H682 VanDerWaalsContact O-N 3.1Å; S679-H682 PolarHBondContact OG-ND1 3.31Å; S679-Q683 PolarHBondContact O-N 3.32Å |
| 680 | E | 72.2 | Confident | 80.6 | Confident | 76 Ų | 76 | 36.2 Ų | 36.2 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.1 | -38.8 | 175.5 | -159.5 | -169.6 | 137.1 | 0 | 0 | 112.5 | H682 Q683 M684 F726 L748 I862 | E680-H682 VanDerWaalsContact C-N 3.31Å; E680-H682 PolarHBondContact O-N 3.3Å; E680-Q683 PolarHBondContact O-N 3.03Å; E680-M684 HydrophobicContact CG-CE 4.08Å; E680-M684 HydrophobicContact CG-CG 4.36Å; E680-M684 VanDerWaalsContact O-CB 3.32Å; E680-M684 WeakPolarHBondContact O-CB 3.47Å; E680-M684 WeakPolarHBondContact O-CG 3.44Å; E680-M684 PolarHBondContact O-N 3.22Å; E680-M684 WeakPolarHBondContact OE1-CE 3.46Å; E680-F726 HydrophobicContact CB-CZ 4.42Å; E680-L748 HydrophobicContact CG-CD1 3.69Å; E680-L748 HydrophobicContact CG-CD2 3.59Å; E680-L748 HydrophobicContact CG-CG 4.28Å; E680-I862 HydrophobicContact CB-CD1 4.17Å; E680-I862 HydrophobicContact CG-CD1 3.97Å; E680-I862 WeakPolarHBondContact OE2-CD1 3.3Å |
| 681 | E | 77.5 | Confident | 80.5 | Confident | 97 Ų | 97 | 34.6 Ų | 34.6 | 45% | 0.453 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.8 | -63.5 | -170.8 | 173.9 | 0 | 0 | 112.3 | I644 S679 F685 | I644-E681 HydrophobicContact CD1-CB 4.22Å; I644-E681 HydrophobicContact CG1-CB 4.08Å; I644-E681 HydrophobicContact CG2-CB 4.21Å; I644-E681 WeakPolarHBondContact CG2-OE2 3.31Å; S679-E681 VanDerWaalsContact C-N 3.27Å; S679-E681 PolarHBondContact O-N 2.71Å; S679-E681 PolarHBondContact OG-N 2.85Å; E681-F685 WeakPolarHBondContact O-CB 2.93Å; E681-F685 PolarHBondContact O-N 2.91Å |
| 682 | H | 86.8 | Confident | 80 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 9% | 0.088 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -42.7 | 176.3 | -62.6 | 83.9 | 0 | 0 | 0 | 111.2 | I644 Y649 V677 S679 E680 F685 I686 | I644-H682 HydrophobicContact CD1-CB 4.47Å; I644-H682 VanDerWaalsContact CG2-CE1 3.4Å; I644-H682 WeakPolarHBondContact CG2-CE1 3.34Å; Y649-H682 AromaticContact CD1-CD2 3.62Å; Y649-H682 AromaticContact CD2-CD2 3.71Å; Y649-H682 HydrophobicContact CE1-CB 4.41Å; Y649-H682 AromaticContact CE1-CD2 3.72Å; Y649-H682 AromaticContact CE2-CD2 3.83Å; Y649-H682 AromaticContact CG-CD2 3.6Å; Y649-H682 AromaticContact CZ-CD2 3.83Å; V677-H682 HydrophobicContact CG1-CB 3.99Å; S679-H682 PolarHBondContact O-N 2.04Å; S679-H682 VanDerWaalsContact O-N 3.1Å; S679-H682 PolarHBondContact OG-ND1 3.31Å; E680-H682 VanDerWaalsContact C-N 3.31Å; E680-H682 PolarHBondContact O-N 3.3Å; H682-F685 PolarHBondContact O-N 3.27Å; H682-I686 WeakPolarHBondContact O-CB 3.2Å; H682-I686 WeakPolarHBondContact O-CD1 3.41Å; H682-I686 VanDerWaalsContact O-CG1 3.26Å; H682-I686 WeakPolarHBondContact O-CG1 3.35Å; H682-I686 PolarHBondContact O-N 2.77Å |
| 683 | Q | 85.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 177.2 | -179.1 | 71.9 | -2.1 | 0 | 0 | 111.4 | V677 S679 E680 I686 M687 F726 L748 T750 | V677-Q683 HydrophobicContact CG1-CB 3.91Å; S679-Q683 PolarHBondContact O-N 3.32Å; E680-Q683 PolarHBondContact O-N 3.03Å; Q683-I686 PolarHBondContact O-N 2.81Å; Q683-M687 HydrophobicContact CG-CG 4.45Å; Q683-M687 VanDerWaalsContact O-CB 3.3Å; Q683-M687 WeakPolarHBondContact O-CB 3.07Å; Q683-M687 VanDerWaalsContact O-CG 3.26Å; Q683-M687 WeakPolarHBondContact O-CG 3.21Å; Q683-M687 PolarHBondContact O-N 2.97Å; Q683-F726 HydrophobicContact CB-CD1 4.39Å; Q683-F726 HydrophobicContact CB-CD2 3.81Å; Q683-F726 HydrophobicContact CB-CE1 4.14Å; Q683-F726 HydrophobicContact CB-CE2 3.55Å; Q683-F726 HydrophobicContact CB-CG 4.24Å; Q683-F726 HydrophobicContact CB-CZ 3.74Å; Q683-F726 HydrophobicContact CG-CB 4.28Å; Q683-F726 HydrophobicContact CG-CD1 3.84Å; Q683-F726 HydrophobicContact CG-CD2 3.66Å; Q683-F726 HydrophobicContact CG-CE1 4.07Å; Q683-F726 HydrophobicContact CG-CE2 3.92Å; Q683-F726 HydrophobicContact CG-CG 3.64Å; Q683-F726 HydrophobicContact CG-CZ 4.12Å; Q683-L748 HydrophobicContact CG-CD2 4.44Å; Q683-L748 PolarHBondContact NE2-O 3.07Å; Q683-T750 PolarHBondContact NE2-OG1 3.31Å |
| 684 | M | 77.5 | Confident | 78 | Confident | 73 Ų | 73 | 36.4 Ų | 36.4 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.3 | -79.8 | -162.6 | -77.6 | 0 | 0 | 111.9 | E680 M687 N688 L748 | E680-M684 HydrophobicContact CG-CE 4.08Å; E680-M684 HydrophobicContact CG-CG 4.36Å; E680-M684 VanDerWaalsContact O-CB 3.32Å; E680-M684 WeakPolarHBondContact O-CB 3.47Å; E680-M684 WeakPolarHBondContact O-CG 3.44Å; E680-M684 PolarHBondContact O-N 3.22Å; E680-M684 WeakPolarHBondContact OE1-CE 3.46Å; M684-M687 PolarHBondContact O-N 3.37Å; M684-N688 WeakPolarHBondContact O-CB 3.35Å; M684-N688 PolarHBondContact O-N 2.96Å; M684-N688 PolarHBondContact O-ND2 3.3Å; M684-L748 HydrophobicContact CG-CD2 3.51Å |
| 685 | F | 84.3 | Confident | 76.3 | Confident | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.7 | 173.8 | -116.6 | 0 | 0 | 0 | 111.5 | I640 T642 I644 Y649 I651 E681 H682 T689 | I640-F685 HydrophobicContact CG2-CE2 4.09Å; I640-F685 HydrophobicContact CG2-CZ 3.9Å; I640-F685 VanDerWaalsContact O-CZ 3.32Å; I640-F685 WeakPolarHBondContact O-CZ 3.08Å; T642-F685 HydrophobicContact CG2-CB 4.31Å; T642-F685 HydrophobicContact CG2-CD1 3.6Å; T642-F685 HydrophobicContact CG2-CD2 3.55Å; T642-F685 HydrophobicContact CG2-CE1 3.64Å; T642-F685 HydrophobicContact CG2-CE2 3.62Å; T642-F685 HydrophobicContact CG2-CG 3.53Å; T642-F685 HydrophobicContact CG2-CZ 3.64Å; I644-F685 HydrophobicContact CD1-CB 4.03Å; I644-F685 HydrophobicContact CD1-CD1 4.44Å; I644-F685 HydrophobicContact CD1-CG 4.39Å; Y649-F685 AromaticContact CD1-CD1 3.7Å; Y649-F685 HydrophobicContact CD1-CD1 3.7Å; Y649-F685 AromaticContact CD1-CE1 3.93Å; Y649-F685 HydrophobicContact CD1-CE1 3.93Å; Y649-F685 AromaticContact CE1-CD1 3.91Å; Y649-F685 HydrophobicContact CE1-CD1 3.91Å; Y649-F685 HydrophobicContact CE1-CE1 4.27Å; I651-F685 HydrophobicContact CB-CE1 4.49Å; I651-F685 HydrophobicContact CD1-CD1 4.03Å; I651-F685 HydrophobicContact CD1-CE1 3.75Å; I651-F685 HydrophobicContact CD1-CZ 4.35Å; I651-F685 HydrophobicContact CG1-CD1 4.46Å; I651-F685 HydrophobicContact CG1-CE1 3.73Å; I651-F685 HydrophobicContact CG1-CZ 4.25Å; I651-F685 HydrophobicContact CG2-CE1 4.16Å; E681-F685 WeakPolarHBondContact O-CB 2.93Å; E681-F685 PolarHBondContact O-N 2.91Å; H682-F685 PolarHBondContact O-N 3.27Å; F685-T689 WeakPolarHBondContact O-CB 3.38Å; F685-T689 PolarHBondContact O-N 2.83Å; F685-T689 PolarHBondContact O-OG1 2.85Å |
| 686 | I | 87.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -51.4 | 173.6 | -70.7 | 165 | 0 | 0 | 0 | 110.6 | I651 V677 H682 Q683 N688 T689 L690 I741 I763 | I651-I686 HydrophobicContact CD1-CB 4.34Å; I651-I686 HydrophobicContact CD1-CG1 3.79Å; I651-I686 HydrophobicContact CG2-CG1 4.12Å; V677-I686 HydrophobicContact CB-CD1 4.45Å; V677-I686 HydrophobicContact CG1-CD1 4.2Å; V677-I686 HydrophobicContact CG2-CD1 3.45Å; V677-I686 VanDerWaalsContact CG2-CD1 3.45Å; H682-I686 WeakPolarHBondContact O-CB 3.2Å; H682-I686 WeakPolarHBondContact O-CD1 3.41Å; H682-I686 VanDerWaalsContact O-CG1 3.26Å; H682-I686 WeakPolarHBondContact O-CG1 3.35Å; H682-I686 PolarHBondContact O-N 2.77Å; Q683-I686 PolarHBondContact O-N 2.81Å; I686-N688 PolarHBondContact O-N 3.45Å; I686-T689 PolarHBondContact O-N 2.94Å; I686-L690 HydrophobicContact CG2-CD1 3.5Å; I686-L690 HydrophobicContact CG2-CG 4.16Å; I686-L690 VanDerWaalsContact O-CB 3.29Å; I686-L690 WeakPolarHBondContact O-CB 3.48Å; I686-L690 VanDerWaalsContact O-CG 3.23Å; I686-L690 WeakPolarHBondContact O-CG 3.38Å; I686-L690 PolarHBondContact O-N 3.36Å; I686-I741 HydrophobicContact CG2-CD1 3.67Å; I686-I763 HydrophobicContact CG2-CD1 3.91Å |
| 687 | M | 81.2 | Confident | 73.1 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | -177.3 | -73.8 | -60.5 | -57.7 | 0 | 0 | 113.2 | Q683 M684 K691 I741 I745 T750 | Q683-M687 HydrophobicContact CG-CG 4.45Å; Q683-M687 VanDerWaalsContact O-CB 3.3Å; Q683-M687 WeakPolarHBondContact O-CB 3.07Å; Q683-M687 VanDerWaalsContact O-CG 3.26Å; Q683-M687 WeakPolarHBondContact O-CG 3.21Å; Q683-M687 PolarHBondContact O-N 2.97Å; M684-M687 PolarHBondContact O-N 3.37Å; M687-K691 WeakPolarHBondContact O-CB 3.49Å; M687-K691 VanDerWaalsContact O-CG 3.24Å; M687-K691 WeakPolarHBondContact O-CG 3.45Å; M687-K691 PolarHBondContact O-N 2.97Å; M687-I741 HydrophobicContact SD-CG2 3.61Å; M687-I745 WeakPolarHBondContact CE-O 3.17Å; M687-T750 HydrophobicContact CE-CG2 3.5Å; M687-T750 VanDerWaalsContact CE-CG2 3.5Å; M687-T750 HydrophobicContact CG-CG2 4.39Å; M687-T750 HydrophobicContact SD-CG2 3.61Å |
| 688 | N | 77.3 | Confident | 71.5 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 177.3 | -71.2 | -25.4 | 0 | 0 | 0 | 111.5 | M684 I686 H692 | M684-N688 WeakPolarHBondContact O-CB 3.35Å; M684-N688 PolarHBondContact O-N 2.96Å; M684-N688 PolarHBondContact O-ND2 3.3Å; I686-N688 PolarHBondContact O-N 3.45Å; N688-H692 PolarHBondContact O-N 3.05Å |
| 689 | T | 77 | Confident | 70.6 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | I640 I651 F685 I686 K691 H692 E693 | I640-T689 HydrophobicContact CB-CG2 4.09Å; I640-T689 HydrophobicContact CD1-CG2 3.43Å; I640-T689 VanDerWaalsContact CD1-CG2 3.43Å; I640-T689 HydrophobicContact CG1-CG2 4.28Å; I640-T689 HydrophobicContact CG2-CG2 3.95Å; I651-T689 HydrophobicContact CD1-CG2 4.06Å; F685-T689 WeakPolarHBondContact O-CB 3.38Å; F685-T689 PolarHBondContact O-N 2.83Å; F685-T689 PolarHBondContact O-OG1 2.85Å; I686-T689 PolarHBondContact O-N 2.94Å; T689-K691 PolarHBondContact O-N 2.8Å; T689-H692 WeakPolarHBondContact O-CB 3.37Å; T689-H692 PolarHBondContact O-N 2.98Å; T689-H692 VanDerWaalsContact O-N 3.16Å; T689-E693 PolarHBondContact O-N 2.8Å |
| 690 | L | 76.2 | Confident | 70.3 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 180 | -70.7 | 175.8 | 0 | 0 | 0 | 112.1 | Y653 I686 H692 E693 T694 I741 T743 I763 | Y653-L690 HydrophobicContact CD1-CD2 4.02Å; Y653-L690 HydrophobicContact CD2-CD2 3.47Å; Y653-L690 VanDerWaalsContact CD2-CD2 3.47Å; Y653-L690 HydrophobicContact CE2-CD2 4.04Å; Y653-L690 HydrophobicContact CG-CD2 3.46Å; Y653-L690 VanDerWaalsContact CG-CD2 3.46Å; I686-L690 HydrophobicContact CG2-CD1 3.5Å; I686-L690 HydrophobicContact CG2-CG 4.16Å; I686-L690 VanDerWaalsContact O-CB 3.29Å; I686-L690 WeakPolarHBondContact O-CB 3.48Å; I686-L690 VanDerWaalsContact O-CG 3.23Å; I686-L690 WeakPolarHBondContact O-CG 3.38Å; I686-L690 PolarHBondContact O-N 3.36Å; L690-H692 PolarHBondContact O-N 2.79Å; L690-E693 PolarHBondContact O-N 3.35Å; L690-E693 VanDerWaalsContact O-N 3.12Å; L690-T694 WeakPolarHBondContact O-CB 3.37Å; L690-T694 WeakPolarHBondContact O-CG2 3.44Å; L690-T694 PolarHBondContact O-N 2.97Å; L690-T694 PolarHBondContact O-OG1 3.12Å; L690-I741 HydrophobicContact CD1-CG2 4.11Å; L690-T743 HydrophobicContact CB-CG2 3.64Å; L690-T743 HydrophobicContact CD1-CG2 3.62Å; L690-T743 HydrophobicContact CG-CG2 4.17Å; L690-I763 HydrophobicContact CD1-CD1 3.78Å; L690-I763 HydrophobicContact CD1-CG1 4.32Å |
| 691 | K | 68.5 | Low | 70.9 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -28.9 | 175.5 | -77.8 | 179.2 | -171.2 | -174.5 | 0 | 113.5 | M687 T689 S695 D746 | M687-K691 WeakPolarHBondContact O-CB 3.49Å; M687-K691 VanDerWaalsContact O-CG 3.24Å; M687-K691 WeakPolarHBondContact O-CG 3.45Å; M687-K691 PolarHBondContact O-N 2.97Å; T689-K691 PolarHBondContact O-N 2.8Å; K691-S695 WeakPolarHBondContact O-CB 3.45Å; K691-S695 PolarHBondContact O-N 2.65Å; K691-D746 WeakPolarHBondContact CE-OD1 3.45Å; K691-D746 IonicContact NZ-OD1 3.99Å; K691-D746 PolarHBondContact NZ-OD1 3.32Å |
| 692 | H | 62.7 | Low | 71.3 | Confident | 138 Ų | 138 | 54.9 Ų | 54.9 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.9 | -50.9 | 172.2 | -173.4 | -94.6 | 0 | 0 | 0 | 110.5 | N688 T689 L690 S695 | N688-H692 PolarHBondContact O-N 3.05Å; T689-H692 WeakPolarHBondContact O-CB 3.37Å; T689-H692 PolarHBondContact O-N 2.98Å; T689-H692 VanDerWaalsContact O-N 3.16Å; L690-H692 PolarHBondContact O-N 2.79Å; H692-S695 PolarHBondContact O-OG 3.03Å |
| 693 | E | 59.6 | Low | 71.6 | Confident | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.8 | -31.7 | -176.4 | -56.5 | -52.2 | 119.4 | 0 | 0 | 114.5 | T689 L690 | T689-E693 PolarHBondContact O-N 2.8Å; L690-E693 PolarHBondContact O-N 3.35Å; L690-E693 VanDerWaalsContact O-N 3.12Å |
| 694 | T | 62.2 | Low | 71.9 | Confident | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -93.8 | -0.6 | -178.4 | 70.2 | 0 | 0 | 0 | 0 | 114 | Y653 L690 H696 S697 T743 | Y653-T694 HydrophobicContact CE1-CG2 4.17Å; L690-T694 WeakPolarHBondContact O-CB 3.37Å; L690-T694 WeakPolarHBondContact O-CG2 3.44Å; L690-T694 PolarHBondContact O-N 2.97Å; L690-T694 PolarHBondContact O-OG1 3.12Å; T694-H696 PolarHBondContact O-N 3.31Å; T694-S697 PolarHBondContact O-N 3.04Å; T694-T743 HydrophobicContact CG2-CG2 4.31Å; T694-T743 PolarHBondContact OG1-OG1 3.32Å |
| 695 | S | 52.7 | Low | 72.4 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 53% | 0.531 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -12.9 | 174 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | K691 H692 | K691-S695 WeakPolarHBondContact O-CB 3.45Å; K691-S695 PolarHBondContact O-N 2.65Å; H692-S695 PolarHBondContact O-OG 3.03Å |
| 696 | H | 51.9 | Low | 72.4 | Confident | 181 Ų | 181 | 49.1 Ų | 49.1 | 84% | 0.838 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 10 | 178.1 | -59.6 | -39.2 | 0 | 0 | 0 | 114.6 | T694 | T694-H696 PolarHBondContact O-N 3.31Š|
| 697 | S | 56.2 | Low | 72.1 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -129.4 | 143.4 | -176.7 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | T694 L699 | T694-S697 PolarHBondContact O-N 3.04Å; S697-L699 VanDerWaalsContact C-N 3.32Å | ||
| 698 | N | 53.6 | Low | 71.6 | Confident | 150 Ų | 150 | 51.5 Ų | 51.5 | 80% | 0.802 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -76.8 | -18.2 | 179.6 | -76.9 | -18.5 | 0 | 0 | 0 | 113.7 | S700 K744 | N698-S700 PolarHBondContact O-N 2.97Å; N698-K744 PolarHBondContact O-NZ 2.84Å |
| 699 | L | 57.4 | Low | 70.8 | Confident | 77 Ų | 77 | 48.4 Ų | 48.4 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | trans | -74 | 104.5 | -179.8 | -71.8 | 172.4 | 0 | 0 | 0 | 109.7 | L657 S697 P761 | L657-L699 HydrophobicContact CD2-CD1 4.19Å; L657-L699 HydrophobicContact CD2-CD2 4.03Å; S697-L699 VanDerWaalsContact C-N 3.32Å; L699-P761 HydrophobicContact CB-CG 4.26Å; L699-P761 HydrophobicContact CD1-CG 4.25Å | ||
| 700 | S | 69.1 | Low | 69.7 | Low | 12 Ų | 12 | 54.1 Ų | 54.1 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | trans | -97 | -27.9 | -175.1 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | N698 D742 T743 K744 | N698-S700 PolarHBondContact O-N 2.97Å; S700-D742 VanDerWaalsContact CB-OD1 3.3Å; S700-D742 WeakPolarHBondContact CB-OD1 3.5Å; S700-D742 WeakPolarHBondContact O-CA 3.34Å; S700-T743 WeakPolarHBondContact CA-OG1 3.23Å; S700-T743 PolarHBondContact O-N 3.17Å; S700-T743 PolarHBondContact O-OG1 3.32Å; S700-K744 VanDerWaalsContact CB-CD 3.44Å; S700-K744 VanDerWaalsContact CB-CE 3.48Å; S700-K744 VanDerWaalsContact CB-NZ 3.3Å; S700-K744 PolarHBondContact OG-NZ 3.42Å | ||
| 701 | H | 83.7 | Confident | 68.6 | Low | 55 Ų | 55 | 55.6 Ų | 55.6 | 26% | 0.255 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 145.8 | -174.7 | -58.7 | 154.5 | 0 | 0 | 0 | 111.8 | Y740 I741 D742 L760 P761 | H701-Y740 HydrophobicContact CB-CD2 3.6Å; H701-Y740 HydrophobicContact CB-CE2 3.98Å; H701-Y740 HydrophobicContact CB-CG 4.23Å; H701-Y740 AromaticContact CD2-CD2 3.73Å; H701-Y740 AromaticContact CD2-CE2 3.31Å; H701-Y740 WeakPolarHBondContact CD2-CE2 3.4Å; H701-Y740 AromaticContact CE1-CE2 3.92Å; H701-Y740 AromaticContact CG-CD2 3.64Å; H701-Y740 AromaticContact CG-CE2 3.46Å; H701-Y740 VanDerWaalsContact CG-CE2 3.46Å; H701-Y740 AromaticContact ND1-CE2 3.88Å; H701-Y740 AromaticContact NE2-CE2 3.63Å; H701-I741 CarbonylContact C-O 3.59Å; H701-I741 VanDerWaalsContact CA-O 3.26Å; H701-I741 WeakPolarHBondContact CA-O 3.34Å; H701-D742 IonicContact CD2-OD1 3.78Å; H701-D742 IonicContact CD2-OD2 2.7Å; H701-D742 PolarHBondContact CD2-OD2 3.47Å; H701-D742 VanDerWaalsContact CD2-OD2 3.28Å; H701-D742 IonicContact CE1-OD2 2.75Å; H701-D742 VanDerWaalsContact NE2-CG 3.3Å; H701-D742 IonicContact NE2-OD1 3.83Å; H701-D742 IonicContact NE2-OD2 3.88Å; H701-D742 PolarHBondContact NE2-OD2 2.88Å; H701-L760 HydrophobicContact CB-CD1 4.2Å; H701-L760 HydrophobicContact CB-CD2 4.05Å; H701-P761 WeakPolarHBondContact O-CD 3.46Å; H701-P761 VanDerWaalsContact O-CG 3.23Å; H701-P761 WeakPolarHBondContact O-CG 3.48Å |
| 702 | A | 86.8 | Confident | 67.9 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 130.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y653 Y740 I741 P761 I763 | Y653-A702 HydrophobicContact CE2-CB 4Å; A702-Y740 CarbonylContact O-C 3.54Å; A702-Y740 WeakPolarHBondContact O-CA 3.37Å; A702-Y740 WeakPolarHBondContact O-CB 3.43Å; A702-I741 PolarHBondContact N-O 3.25Å; A702-I741 PolarHBondContact O-N 3.22Å; A702-P761 CarbonylContact C-O 3.6Å; A702-P761 WeakPolarHBondContact CA-O 3.48Å; A702-P761 HydrophobicContact CB-CB 4.04Å; A702-I763 HydrophobicContact CB-CD1 4.02Å; A702-I763 HydrophobicContact CB-CG1 4.01Å |
| 703 | Y | 92.6 | Very high | 68.1 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 143.4 | 179.8 | -79 | -60.2 | 0 | 0 | 0 | 113.9 | A658 F660 C738 I754 S755 E758 L760 P761 I763 | A658-Y703 WeakPolarHBondContact O-CE2 3.48Å; F660-Y703 HydrophobicContact CB-CD1 4.48Å; F660-Y703 HydrophobicContact CB-CE1 4.16Å; F660-Y703 HydrophobicContact CB-CE2 4.3Å; F660-Y703 AromaticContact CD2-CD1 3.92Å; F660-Y703 HydrophobicContact CD2-CD1 3.92Å; F660-Y703 HydrophobicContact CD2-CE1 4.24Å; F660-Y703 HydrophobicContact CD2-CG 4.33Å; Y703-C738 HydrophobicContact CD1-CB 4.43Å; Y703-C738 HydrophobicContact CE1-CB 3.9Å; Y703-I754 HydrophobicContact CE1-CG2 3.52Å; Y703-S755 PolarHBondContact OH-O 3.39Å; Y703-S755 VanDerWaalsContact OH-O 3.12Å; Y703-E758 VanDerWaalsContact CE2-O 3.27Å; Y703-E758 WeakPolarHBondContact CE2-O 3.31Å; Y703-E758 PolarHBondContact OH-O 2.82Å; Y703-L760 HydrophobicContact CD1-CD1 4.32Å; Y703-L760 HydrophobicContact CD2-CB 3.69Å; Y703-L760 HydrophobicContact CD2-CD1 4.35Å; Y703-L760 HydrophobicContact CD2-CG 4.36Å; Y703-L760 HydrophobicContact CE1-CD1 4.12Å; Y703-L760 HydrophobicContact CE2-CB 3.69Å; Y703-L760 HydrophobicContact CE2-CD1 4.15Å; Y703-L760 HydrophobicContact CE2-CG 3.98Å; Y703-L760 HydrophobicContact CG-CB 4.37Å; Y703-L760 HydrophobicContact CG-CD1 4.42Å; Y703-P761 PolarHBondContact N-O 3.13Å; Y703-I763 PolarHBondContact O-N 2.86Å |
| 704 | I | 92 | Very high | 68.5 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 171.3 | 165.5 | 61.1 | 169.9 | 0 | 0 | 0 | 110.1 | F660 A675 V677 L706 W715 V739 I741 W751 I763 | F660-I704 WeakPolarHBondContact CE2-O 3.48Å; A675-I704 HydrophobicContact CB-CB 4.49Å; A675-I704 HydrophobicContact CB-CG2 4.25Å; V677-I704 HydrophobicContact CG2-CG2 4.37Å; I704-L706 HydrophobicContact CD1-CB 4.4Å; I704-L706 HydrophobicContact CG1-CB 4.44Å; I704-L706 PolarHBondContact O-N 3.44Å; I704-W715 HydrophobicContact CD1-CH2 4.14Å; I704-W715 HydrophobicContact CD1-CZ3 4.24Å; I704-V739 HydrophobicContact CD1-CB 4.36Å; I704-V739 HydrophobicContact CD1-CG1 3.8Å; I704-V739 HydrophobicContact CG1-CB 4.06Å; I704-V739 HydrophobicContact CG1-CG1 3.93Å; I704-V739 WeakPolarHBondContact CG1-O 3.36Å; I704-V739 PolarHBondContact N-O 2.76Å; I704-I741 HydrophobicContact CG2-CD1 3.54Å; I704-I741 HydrophobicContact CG2-CG1 3.87Å; I704-W751 HydrophobicContact CD1-CD2 3.84Å; I704-W751 VanDerWaalsContact CD1-CE2 3.43Å; I704-W751 HydrophobicContact CD1-CE3 4.39Å; I704-W751 HydrophobicContact CD1-CG 4.29Å; I704-W751 HydrophobicContact CD1-CH2 4.29Å; I704-W751 HydrophobicContact CD1-CZ2 3.69Å; I704-I763 HydrophobicContact CG2-CD1 3.94Å |
| 705 | G | 88.2 | Confident | 69.2 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 15.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | L674 A675 W715 I716 | L674-G705 VanDerWaalsContact CB-CA 3.4Å; A675-G705 PolarHBondContact O-N 2.8Å; G705-W715 CarbonylContact O-C 3.33Å; G705-W715 WeakPolarHBondContact O-CA 3.48Å; G705-I716 PolarHBondContact O-N 2.89Å |
| 706 | L | 85.4 | Confident | 70.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.6 | -175.2 | -174.6 | 63.9 | 0 | 0 | 0 | 110.8 | I704 L713 W715 V722 V739 W751 | I704-L706 HydrophobicContact CD1-CB 4.4Å; I704-L706 HydrophobicContact CG1-CB 4.44Å; I704-L706 PolarHBondContact O-N 3.44Å; L706-L713 HydrophobicContact CD1-CB 4.27Å; L706-L713 HydrophobicContact CG-CD2 4.35Å; L706-W715 HydrophobicContact CB-CD2 4.27Å; L706-W715 HydrophobicContact CB-CE3 3.83Å; L706-W715 HydrophobicContact CB-CH2 4Å; L706-W715 HydrophobicContact CB-CZ2 4.46Å; L706-W715 HydrophobicContact CB-CZ3 3.67Å; L706-W715 HydrophobicContact CD1-CD2 4.06Å; L706-W715 HydrophobicContact CD1-CE3 4.48Å; L706-W715 HydrophobicContact CD1-CG 4.33Å; L706-W715 HydrophobicContact CD1-CZ2 4.42Å; L706-W715 HydrophobicContact CD2-CH2 4.37Å; L706-W715 HydrophobicContact CD2-CZ2 4.34Å; L706-V722 HydrophobicContact CD1-CG2 4.09Å; L706-V739 HydrophobicContact CB-CB 4.05Å; L706-V739 HydrophobicContact CB-CG2 4Å; L706-V739 HydrophobicContact CD2-CG2 4.06Å; L706-V739 HydrophobicContact CG-CB 4.45Å; L706-V739 HydrophobicContact CG-CG2 3.9Å; L706-V739 WeakPolarHBondContact O-CB 3.22Å; L706-V739 WeakPolarHBondContact O-CG2 3.09Å; L706-V739 PolarHBondContact O-N 2.86Å; L706-W751 HydrophobicContact CD2-CE3 3.97Å; L706-W751 HydrophobicContact CD2-CH2 4.12Å; L706-W751 HydrophobicContact CD2-CZ3 3.44Å; L706-W751 VanDerWaalsContact CD2-CZ3 3.44Å |
| 707 | F | 80.5 | Confident | 71 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 155.6 | 179.6 | 69.9 | -74 | 0 | 0 | 0 | 112.6 | F660 L713 L714 I716 C738 | F660-F707 HydrophobicContact CE1-CB 4.23Å; F660-F707 HydrophobicContact CE1-CD1 4.26Å; F660-F707 HydrophobicContact CE1-CG 4.27Å; F660-F707 HydrophobicContact CE2-CB 4.32Å; F660-F707 HydrophobicContact CZ-CB 3.82Å; F660-F707 AromaticContact CZ-CD1 3.88Å; F660-F707 HydrophobicContact CZ-CD1 3.88Å; F660-F707 HydrophobicContact CZ-CG 4.07Å; F707-L713 WeakPolarHBondContact O-CA 3.47Å; F707-L714 WeakPolarHBondContact CD1-O 3.45Å; F707-L714 HydrophobicContact CE1-CB 4.05Å; F707-L714 WeakPolarHBondContact CE1-O 3.4Å; F707-L714 HydrophobicContact CZ-CB 4.18Å; F707-L714 PolarHBondContact N-O 2.74Å; F707-L714 PolarHBondContact O-N 3.37Å; F707-I716 HydrophobicContact CD1-CB 4.48Å; F707-I716 HydrophobicContact CE1-CB 4.13Å; F707-C738 HydrophobicContact CB-CB 4.41Å; F707-C738 VanDerWaalsContact CB-SG 3.58Å |
| 708 | N | 69.2 | Low | 71.3 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.1 | 173.7 | 179.2 | -35.8 | 0 | 0 | 0 | 110.6 | D711 H712 L713 N733 E737 | N708-D711 WeakPolarHBondContact OD1-CA 3.34Å; N708-D711 PolarHBondContact OD1-N 3.25Å; N708-H712 CarbonylContact C-O 3.48Å; N708-H712 WeakPolarHBondContact CA-O 3.37Å; N708-L713 HydrophobicContact CB-CD2 4.16Å; N708-N733 PolarHBondContact ND2-OD1 3.32Å; N708-E737 PolarHBondContact N-O 2.99Å |
| 709 | S | 60.9 | Low | 71.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.3 | 169.5 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | D711 H712 | S709-D711 VanDerWaalsContact C-N 3.29Å; S709-D711 PolarHBondContact O-N 3.02Å; S709-H712 PolarHBondContact N-O 2.95Å; S709-H712 PolarHBondContact O-N 3.06Å |
| 710 | H | 53.7 | Low | 71.9 | Confident | 137 Ų | 137 | 35.8 Ų | 35.8 | 63% | 0.634 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 44.8 | 174.6 | -56.2 | 81.9 | 0 | 0 | 0 | 113.6 | H712 | H710-H712 VanDerWaalsContact C-N 3.27Å; H710-H712 PolarHBondContact O-N 3.38Å |
| 711 | D | 53.5 | Low | 71.6 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 18.1 | -180 | -54.4 | -27.5 | 0 | 0 | 0 | 114.6 | N708 S709 K735 L878 T879 | N708-D711 WeakPolarHBondContact OD1-CA 3.34Å; N708-D711 PolarHBondContact OD1-N 3.25Å; S709-D711 VanDerWaalsContact C-N 3.29Å; S709-D711 PolarHBondContact O-N 3.02Å; D711-K735 IonicContact OD1-NZ 2.64Å; D711-K735 IonicContact OD2-NZ 3.88Å; D711-K735 PolarHBondContact OD2-NZ 2.85Å; D711-L878 HydrophobicContact CB-CD2 4.14Å; D711-T879 HydrophobicContact CB-CG2 4.19Å; D711-T879 PolarHBondContact O-N 3.26Å |
| 712 | H | 53.8 | Low | 70.8 | Confident | 86 Ų | 86 | 32.9 Ų | 32.9 | 40% | 0.398 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.9 | 167.9 | -64.5 | -83.1 | 0 | 0 | 0 | 112.1 | N708 S709 H710 L878 | N708-H712 CarbonylContact C-O 3.48Å; N708-H712 WeakPolarHBondContact CA-O 3.37Å; S709-H712 PolarHBondContact N-O 2.95Å; S709-H712 PolarHBondContact O-N 3.06Å; H710-H712 VanDerWaalsContact C-N 3.27Å; H710-H712 PolarHBondContact O-N 3.38Å; H712-L878 VanDerWaalsContact NE2-CD2 3.33Å; H712-L878 WeakPolarHBondContact NE2-CD2 3.36Å |
| 713 | L | 67 | Low | 69.5 | Low | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.5 | 175.8 | -74.2 | 160.9 | 0 | 0 | 0 | 111.8 | L706 F707 N708 V722 W727 | L706-L713 HydrophobicContact CD1-CB 4.27Å; L706-L713 HydrophobicContact CG-CD2 4.35Å; F707-L713 WeakPolarHBondContact O-CA 3.47Å; N708-L713 HydrophobicContact CB-CD2 4.16Å; L713-V722 HydrophobicContact CB-CG2 4.27Å; L713-W727 HydrophobicContact CD1-CZ2 3.9Å; L713-W727 HydrophobicContact CD2-CH2 4.4Å; L713-W727 HydrophobicContact CD2-CZ2 4.32Å |
| 714 | L | 67.5 | Low | 68.1 | Low | 85 Ų | 85 | 33.3 Ų | 33.3 | 45% | 0.445 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144.6 | -174.7 | -63.2 | 173.9 | 0 | 0 | 0 | 112.2 | F707 | F707-L714 WeakPolarHBondContact CD1-O 3.45Å; F707-L714 HydrophobicContact CE1-CB 4.05Å; F707-L714 WeakPolarHBondContact CE1-O 3.4Å; F707-L714 HydrophobicContact CZ-CB 4.18Å; F707-L714 PolarHBondContact N-O 2.74Å; F707-L714 PolarHBondContact O-N 3.37Å |
| 715 | W | 77.5 | Confident | 67.1 | Low | 10 Ų | 10 | 33.3 Ų | 33.3 | 4% | 0.038 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131 | 169.4 | -65.3 | 101 | 0 | 0 | 0 | 111.5 | A675 T676 V677 I704 G705 L706 S717 S718 Y719 A721 W751 | A675-W715 VanDerWaalsContact O-CZ3 3.27Å; A675-W715 WeakPolarHBondContact O-CZ3 3.43Å; T676-W715 HydrophobicContact CG2-CD2 4.03Å; T676-W715 HydrophobicContact CG2-CE3 4.15Å; T676-W715 HydrophobicContact CG2-CG 4.34Å; V677-W715 HydrophobicContact CB-CH2 3.93Å; V677-W715 HydrophobicContact CG2-CH2 4.36Å; V677-W715 VanDerWaalsContact N-CH2 3.28Å; I704-W715 HydrophobicContact CD1-CH2 4.14Å; I704-W715 HydrophobicContact CD1-CZ3 4.24Å; G705-W715 CarbonylContact O-C 3.33Å; G705-W715 WeakPolarHBondContact O-CA 3.48Å; L706-W715 HydrophobicContact CB-CD2 4.27Å; L706-W715 HydrophobicContact CB-CE3 3.83Å; L706-W715 HydrophobicContact CB-CH2 4Å; L706-W715 HydrophobicContact CB-CZ2 4.46Å; L706-W715 HydrophobicContact CB-CZ3 3.67Å; L706-W715 HydrophobicContact CD1-CD2 4.06Å; L706-W715 HydrophobicContact CD1-CE3 4.48Å; L706-W715 HydrophobicContact CD1-CG 4.33Å; L706-W715 HydrophobicContact CD1-CZ2 4.42Å; L706-W715 HydrophobicContact CD2-CH2 4.37Å; L706-W715 HydrophobicContact CD2-CZ2 4.34Å; W715-S717 PolarHBondContact O-N 3.42Å; W715-S718 PolarHBondContact O-N 2.93Å; W715-Y719 AromaticContact CD1-CD1 3.92Å; W715-A721 PolarHBondContact NE1-O 2.93Å; W715-W751 AromaticContact CH2-CH2 3.83Å; W715-W751 HydrophobicContact CH2-CH2 3.83Å; W715-W751 HydrophobicContact CH2-CZ2 4.13Å; W715-W751 AromaticContact CZ2-CH2 3.95Å; W715-W751 HydrophobicContact CZ2-CH2 3.95Å |
| 716 | I | 74.8 | Confident | 66.5 | Low | 43 Ų | 43 | 33.3 Ų | 33.3 | 22% | 0.221 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.6 | 177.7 | -161.6 | 155.9 | 0 | 0 | 0 | 113.4 | F660 D664 L674 G705 F707 S718 | F660-I716 HydrophobicContact CE1-CD1 3.87Å; F660-I716 HydrophobicContact CZ-CD1 4.34Å; D664-I716 HydrophobicContact CB-CD1 3.99Å; D664-I716 VanDerWaalsContact CG-CD1 3.46Å; D664-I716 WeakPolarHBondContact OD2-CD1 3.42Å; L674-I716 HydrophobicContact CB-CG2 4.06Å; L674-I716 HydrophobicContact CD1-CG2 4.48Å; G705-I716 PolarHBondContact O-N 2.89Å; F707-I716 HydrophobicContact CD1-CB 4.48Å; F707-I716 HydrophobicContact CE1-CB 4.13Å; I716-S718 PolarHBondContact O-N 3.42Å |
| 717 | S | 68.3 | Low | 66 | Low | 10 Ų | 10 | 33.5 Ų | 33.5 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 0.2 | 172.2 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | T676 W715 Y719 | T676-S717 WeakPolarHBondContact OG1-CB 3.3Å; T676-S717 PolarHBondContact OG1-OG 3.04Å; W715-S717 PolarHBondContact O-N 3.42Å; S717-Y719 PolarHBondContact O-N 2.86Å |
| 718 | S | 61.4 | Low | 65.4 | Low | 89 Ų | 89 | 32.5 Ų | 32.5 | 62% | 0.622 | 19% | 0.185 | S | C | * | . | trans | 62.4 | 18.8 | -171.8 | 71 | 0 | 0 | 0 | 0 | 115.5 | W715 I716 G720 | W715-S718 PolarHBondContact O-N 2.93Å; I716-S718 PolarHBondContact O-N 3.42Å; S718-G720 PolarHBondContact O-N 2.97Å; S718-G720 VanDerWaalsContact O-N 3.16Å | ||
| 719 | Y | 64.9 | Low | 64.4 | Low | 26 Ų | 26 | 38.7 Ų | 38.7 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -65.9 | 111.3 | 169.8 | -170.2 | -101 | 0 | 0 | 0 | 110.1 | T676 P678 W715 S717 A721 P723 I768 | T676-Y719 HydrophobicContact CG2-CD1 4.22Å; T676-Y719 HydrophobicContact CG2-CG 3.94Å; P678-Y719 HydrophobicContact CB-CE1 3.69Å; W715-Y719 AromaticContact CD1-CD1 3.92Å; S717-Y719 PolarHBondContact O-N 2.86Å; Y719-A721 WeakPolarHBondContact CD1-O 3.45Å; Y719-A721 HydrophobicContact CE1-CB 4.18Å; Y719-A721 PolarHBondContact O-N 3.32Å; Y719-P723 HydrophobicContact CE1-CG 4.21Å; Y719-I768 HydrophobicContact CD2-CB 4.43Å; Y719-I768 HydrophobicContact CD2-CG2 4.33Å; Y719-I768 VanDerWaalsContact CD2-O 3.31Å; Y719-I768 WeakPolarHBondContact CD2-O 3.42Å; Y719-I768 HydrophobicContact CE2-CG2 4.06Å | ||
| 720 | G | 60 | Low | 64 | Low | 52 Ų | 52 | 46.2 Ų | 46.2 | 54% | 0.536 | 25% | 0.246 | S | C | . | . | trans | -75.2 | 21.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S718 | S718-G720 PolarHBondContact O-N 2.97Å; S718-G720 VanDerWaalsContact O-N 3.16Å | ||
| 721 | A | 61.3 | Low | 63.8 | Low | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -150.7 | 150.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W715 Y719 P723 V871 T874 | W715-A721 PolarHBondContact NE1-O 2.93Å; Y719-A721 WeakPolarHBondContact CD1-O 3.45Å; Y719-A721 HydrophobicContact CE1-CB 4.18Å; Y719-A721 PolarHBondContact O-N 3.32Å; A721-P723 VanDerWaalsContact C-CD 3.42Å; A721-P723 WeakPolarHBondContact O-CD 3.19Å; A721-V871 VanDerWaalsContact CB-O 3.22Å; A721-V871 WeakPolarHBondContact CB-O 3.43Å; A721-T874 HydrophobicContact CB-CG2 4.17Å | ||
| 722 | V | 67.4 | Low | 63.4 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | trans | -109 | 82.5 | 165 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | L706 L713 T725 T874 | L706-V722 HydrophobicContact CD1-CG2 4.09Å; L713-V722 HydrophobicContact CB-CG2 4.27Å; V722-T725 HydrophobicContact CG1-CG2 3.63Å; V722-T874 PolarHBondContact N-OG1 2.78Å | ||
| 723 | P | 59.1 | Low | 63 | Low | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -75.2 | -25.2 | -169.5 | 28.1 | -37.9 | 0 | 0 | 0 | 114.8 | P678 Y719 A721 H863 V871 | P678-P723 VanDerWaalsContact CA-CG 3.43Å; P678-P723 HydrophobicContact CB-CG 3.77Å; P678-P723 WeakPolarHBondContact O-CB 3.45Å; P678-P723 WeakPolarHBondContact O-CG 3.3Å; Y719-P723 HydrophobicContact CE1-CG 4.21Å; A721-P723 VanDerWaalsContact C-CD 3.42Å; A721-P723 WeakPolarHBondContact O-CD 3.19Å; P723-H863 WeakPolarHBondContact O-CB 3.14Å; P723-V871 HydrophobicContact CB-CB 3.72Å; P723-V871 HydrophobicContact CB-CG1 4.36Å; P723-V871 WeakPolarHBondContact CB-O 3.37Å | ||
| 724 | S | 63.5 | Low | 62 | Low | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -150.8 | 134.4 | -176.4 | -54.3 | 0 | 0 | 0 | 0 | 107.6 | W751 | S724-W751 VanDerWaalsContact O-CH2 3.29Å; S724-W751 WeakPolarHBondContact O-CH2 3.32Å | ||
| 725 | T | 70.8 | Confident | 61.2 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -118.6 | 106.2 | -180 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | V722 W727 W751 N861 P881 | V722-T725 HydrophobicContact CG1-CG2 3.63Å; T725-W727 PolarHBondContact O-N 2.58Å; T725-W751 HydrophobicContact CG2-CZ3 4.39Å; T725-N861 PolarHBondContact N-O 2.64Å; T725-N861 WeakPolarHBondContact O-CB 3.34Å; T725-N861 PolarHBondContact OG1-O 2.85Å; T725-P881 HydrophobicContact CG2-CG 4Å | ||
| 726 | F | 76.7 | Confident | 59.9 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -85.5 | 37.1 | -177.3 | -59.2 | -74.6 | 0 | 0 | 0 | 112.5 | V677 E680 Q683 Q728 L748 H749 T750 W751 I862 | V677-F726 HydrophobicContact CG1-CE2 4.39Å; E680-F726 HydrophobicContact CB-CZ 4.42Å; Q683-F726 HydrophobicContact CB-CD1 4.39Å; Q683-F726 HydrophobicContact CB-CD2 3.81Å; Q683-F726 HydrophobicContact CB-CE1 4.14Å; Q683-F726 HydrophobicContact CB-CE2 3.55Å; Q683-F726 HydrophobicContact CB-CG 4.24Å; Q683-F726 HydrophobicContact CB-CZ 3.74Å; Q683-F726 HydrophobicContact CG-CB 4.28Å; Q683-F726 HydrophobicContact CG-CD1 3.84Å; Q683-F726 HydrophobicContact CG-CD2 3.66Å; Q683-F726 HydrophobicContact CG-CE1 4.07Å; Q683-F726 HydrophobicContact CG-CE2 3.92Å; Q683-F726 HydrophobicContact CG-CG 3.64Å; Q683-F726 HydrophobicContact CG-CZ 4.12Å; F726-Q728 PolarHBondContact O-N 3.19Å; F726-L748 WeakPolarHBondContact CB-O 3.36Å; F726-L748 HydrophobicContact CD1-CB 3.89Å; F726-L748 HydrophobicContact CE1-CB 4.22Å; F726-H749 CarbonylContact O-C 3.46Å; F726-H749 WeakPolarHBondContact O-CA 3.45Å; F726-T750 PolarHBondContact O-N 2.62Å; F726-W751 HydrophobicContact CB-CD2 3.92Å; F726-W751 HydrophobicContact CB-CG 3.93Å; F726-W751 HydrophobicContact CB-CZ2 4.44Å; F726-W751 AromaticContact CD2-CE2 3.75Å; F726-W751 HydrophobicContact CD2-CH2 4.08Å; F726-W751 AromaticContact CD2-CZ2 3.52Å; F726-W751 HydrophobicContact CD2-CZ2 3.52Å; F726-W751 HydrophobicContact CE2-CZ2 4.3Å; F726-W751 HydrophobicContact CG-CZ2 4.46Å; F726-W751 WeakPolarHBondContact O-CB 3.44Å; F726-W751 PolarHBondContact O-N 3.28Å; F726-I862 HydrophobicContact CD1-CG1 4.49Å; F726-I862 HydrophobicContact CE1-CD1 3.89Å; F726-I862 HydrophobicContact CE1-CG1 3.73Å; F726-I862 HydrophobicContact CZ-CG1 4.33Å | ||
| 727 | W | 74 | Confident | 59.5 | Low | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 133.7 | -178 | -62 | 128.9 | 0 | 0 | 0 | 112.7 | L713 T725 V739 W751 T753 | L713-W727 HydrophobicContact CD1-CZ2 3.9Å; L713-W727 HydrophobicContact CD2-CH2 4.4Å; L713-W727 HydrophobicContact CD2-CZ2 4.32Å; T725-W727 PolarHBondContact O-N 2.58Å; W727-V739 HydrophobicContact CH2-CG1 4.14Å; W727-V739 HydrophobicContact CH2-CG2 3.52Å; W727-V739 HydrophobicContact CZ3-CB 4.46Å; W727-V739 HydrophobicContact CZ3-CG1 3.75Å; W727-V739 HydrophobicContact CZ3-CG2 3.86Å; W727-W751 WeakPolarHBondContact CA-O 2.97Å; W727-W751 HydrophobicContact CD2-CB 4.49Å; W727-W751 HydrophobicContact CE3-CB 3.73Å; W727-W751 HydrophobicContact CE3-CE3 4.48Å; W727-W751 HydrophobicContact CZ3-CB 4.16Å; W727-T753 HydrophobicContact CE3-CG2 4.39Å; W727-T753 HydrophobicContact CH2-CG2 3.75Å; W727-T753 HydrophobicContact CZ3-CG2 3.49Å; W727-T753 VanDerWaalsContact CZ3-CG2 3.49Å |
| 728 | Q | 68.1 | Low | 60.2 | Low | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -58.7 | 148.5 | 169 | -66.2 | 178.5 | 24.1 | 0 | 0 | 111.2 | F726 K730 F731 D742 I745 T750 W751 | F726-Q728 PolarHBondContact O-N 3.19Å; Q728-K730 PolarHBondContact O-N 3.09Å; Q728-F731 HydrophobicContact CB-CD2 3.96Å; Q728-F731 PolarHBondContact O-N 3.32Å; Q728-D742 VanDerWaalsContact NE2-CB 3.33Å; Q728-I745 VanDerWaalsContact CD-CD1 3.43Å; Q728-I745 HydrophobicContact CG-CD1 3.57Å; Q728-T750 PolarHBondContact NE2-O 2.92Å; Q728-W751 WeakPolarHBondContact CG-O 3.28Å; Q728-W751 PolarHBondContact N-O 3.37Å | ||
| 729 | L | 47.7 | Very low | 61.3 | Low | 139 Ų | 139 | 49.3 Ų | 49.3 | 73% | 0.728 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 64.4 | 179 | -82 | 161.8 | 0 | 0 | 0 | 113.5 | ||
| 730 | K | 52.4 | Low | 62.4 | Low | 196 Ų | 196 | 48.7 Ų | 48.7 | 85% | 0.852 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 175.3 | -15.4 | 161.5 | -101.2 | 157.2 | -174.4 | -177.6 | 0 | 113.7 | Q728 | Q728-K730 PolarHBondContact O-N 3.09Š|
| 731 | F | 50.3 | Low | 63.7 | Low | 76 Ų | 76 | 46.2 Ų | 46.2 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | trans | -91 | 115.1 | -175.9 | -74.7 | -93.9 | 0 | 0 | 0 | 111.5 | Q728 | Q728-F731 HydrophobicContact CB-CD2 3.96Å; Q728-F731 PolarHBondContact O-N 3.32Å | ||
| 732 | Q | 44.2 | Very low | 64.7 | Low | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -139.5 | 111.4 | 172.9 | -70 | -162 | -31.1 | 0 | 0 | 112.5 | T734 N882 A883 N884 | Q732-T734 PolarHBondContact O-N 3.39Å; Q732-N882 VanDerWaalsContact NE2-C 3.3Å; Q732-N882 PolarHBondContact NE2-O 2.78Å; Q732-A883 PolarHBondContact NE2-O 2.71Å; Q732-N884 PolarHBondContact NE2-ND2 3.01Å; Q732-N884 VanDerWaalsContact NE2-ND2 3.12Å | ||
| 733 | N | 46 | Very low | 65.1 | Low | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | trans | 48.4 | 52.5 | 156 | -138.2 | -3.7 | 0 | 0 | 0 | 118.3 | N708 T879 | N708-N733 PolarHBondContact ND2-OD1 3.32Å; N733-T879 WeakPolarHBondContact ND2-CA 3.36Å; N733-T879 PolarHBondContact ND2-O 3.28Å | ||
| 734 | T | 47 | Very low | 65.7 | Low | 66 Ų | 66 | 53.6 Ų | 53.6 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | trans | -69.2 | 150.9 | 162.6 | 30.2 | 0 | 0 | 0 | 0 | 112 | Q732 E737 T753 | Q732-T734 PolarHBondContact O-N 3.39Å; T734-E737 VanDerWaalsContact CB-OE1 3.24Å; T734-E737 WeakPolarHBondContact CB-OE1 3.38Å; T734-E737 PolarHBondContact OG1-OE1 3.45Å; T734-E737 PolarHBondContact OG1-OE2 2.83Å; T734-T753 PolarHBondContact OG1-OG1 3.05Å; T734-T753 VanDerWaalsContact OG1-OG1 3.09Å | ||
| 735 | K | 49 | Very low | 66.1 | Low | 141 Ų | 141 | 55.9 Ų | 55.9 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 129.9 | -163.8 | -66.8 | -162.2 | 169.4 | -141.7 | 0 | 113.6 | D711 | D711-K735 IonicContact OD1-NZ 2.64Å; D711-K735 IonicContact OD2-NZ 3.88Å; D711-K735 PolarHBondContact OD2-NZ 2.85Å |
| 736 | K | 51.2 | Low | 65.7 | Low | 138 Ų | 138 | 62.8 Ų | 62.8 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 37.3 | 175.6 | -58.3 | -175.7 | 174.6 | -176.7 | 0 | 114.9 | ||
| 737 | E | 66.1 | Low | 65.2 | Low | 46 Ų | 46 | 64.5 Ų | 64.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 157.8 | 177.2 | -73 | 176.8 | -158.1 | 0 | 0 | 112.9 | N708 T734 T753 I754 | N708-E737 PolarHBondContact N-O 2.99Å; T734-E737 VanDerWaalsContact CB-OE1 3.24Å; T734-E737 WeakPolarHBondContact CB-OE1 3.38Å; T734-E737 PolarHBondContact OG1-OE1 3.45Å; T734-E737 PolarHBondContact OG1-OE2 2.83Å; E737-T753 WeakPolarHBondContact OE2-CB 3.31Å; E737-T753 PolarHBondContact OE2-OG1 2.82Å; E737-I754 CarbonylContact C-O 3.57Å; E737-I754 WeakPolarHBondContact CA-O 3.41Å; E737-I754 VanDerWaalsContact CB-O 3.28Å; E737-I754 WeakPolarHBondContact CB-O 3.47Å |
| 738 | C | 82.4 | Confident | 64.8 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 162.1 | 176.1 | -74 | 0 | 0 | 0 | 0 | 110.5 | F660 Y703 F707 T753 I754 C756 | F660-C738 HydrophobicContact CB-CB 4.19Å; F660-C738 VanDerWaalsContact CD1-SG 3.53Å; F660-C738 HydrophobicContact CD2-CB 3.57Å; F660-C738 VanDerWaalsContact CD2-SG 3.51Å; F660-C738 HydrophobicContact CE2-CB 4.02Å; F660-C738 HydrophobicContact CG-CB 3.92Å; F660-C738 WeakPolarHBondContact CG-SG 3.3Å; Y703-C738 HydrophobicContact CD1-CB 4.43Å; Y703-C738 HydrophobicContact CE1-CB 3.9Å; F707-C738 HydrophobicContact CB-CB 4.41Å; F707-C738 VanDerWaalsContact CB-SG 3.58Å; C738-T753 WeakPolarHBondContact O-CA 3.14Å; C738-I754 PolarHBondContact N-O 2.89Å; C738-I754 PolarHBondContact O-N 3.02Å; C738-C756 HydrophobicContact CB-CB 3.92Å; C738-C756 WeakPolarHBondContact CB-SG 3.37Å; C738-C756 PolarHBondContact N-SG 2.68Å; C738-C756 VanDerWaalsContact N-SG 3.4Å; C738-C756 WeakPolarHBondContact SG-CB 3.1Å; C738-C756 CovalentContact SG-SG 2.04Å; C738-C756 PolarHBondContact SG-SG 3.35Å |
| 739 | V | 85.5 | Confident | 65.1 | Low | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137 | -167.4 | -174.8 | 0 | 0 | 0 | 0 | 112.9 | I704 L706 W727 W751 G752 | I704-V739 HydrophobicContact CD1-CB 4.36Å; I704-V739 HydrophobicContact CD1-CG1 3.8Å; I704-V739 HydrophobicContact CG1-CB 4.06Å; I704-V739 HydrophobicContact CG1-CG1 3.93Å; I704-V739 WeakPolarHBondContact CG1-O 3.36Å; I704-V739 PolarHBondContact N-O 2.76Å; L706-V739 HydrophobicContact CB-CB 4.05Å; L706-V739 HydrophobicContact CB-CG2 4Å; L706-V739 HydrophobicContact CD2-CG2 4.06Å; L706-V739 HydrophobicContact CG-CB 4.45Å; L706-V739 HydrophobicContact CG-CG2 3.9Å; L706-V739 WeakPolarHBondContact O-CB 3.22Å; L706-V739 WeakPolarHBondContact O-CG2 3.09Å; L706-V739 PolarHBondContact O-N 2.86Å; W727-V739 HydrophobicContact CH2-CG1 4.14Å; W727-V739 HydrophobicContact CH2-CG2 3.52Å; W727-V739 HydrophobicContact CZ3-CB 4.46Å; W727-V739 HydrophobicContact CZ3-CG1 3.75Å; W727-V739 HydrophobicContact CZ3-CG2 3.86Å; V739-W751 HydrophobicContact CG1-CB 3.93Å; V739-W751 HydrophobicContact CG1-CD2 4.13Å; V739-W751 HydrophobicContact CG1-CE3 4.17Å; V739-W751 HydrophobicContact CG1-CG 4.06Å; V739-G752 WeakPolarHBondContact CA-O 3.07Å |
| 740 | Y | 87.6 | Confident | 66.6 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.3 | 176 | 70.4 | -94.3 | 0 | 0 | 0 | 112.2 | H701 A702 D742 W751 G752 T753 I754 L760 | H701-Y740 HydrophobicContact CB-CD2 3.6Å; H701-Y740 HydrophobicContact CB-CE2 3.98Å; H701-Y740 HydrophobicContact CB-CG 4.23Å; H701-Y740 AromaticContact CD2-CD2 3.73Å; H701-Y740 AromaticContact CD2-CE2 3.31Å; H701-Y740 WeakPolarHBondContact CD2-CE2 3.4Å; H701-Y740 AromaticContact CE1-CE2 3.92Å; H701-Y740 AromaticContact CG-CD2 3.64Å; H701-Y740 AromaticContact CG-CE2 3.46Å; H701-Y740 VanDerWaalsContact CG-CE2 3.46Å; H701-Y740 AromaticContact ND1-CE2 3.88Å; H701-Y740 AromaticContact NE2-CE2 3.63Å; A702-Y740 CarbonylContact O-C 3.54Å; A702-Y740 WeakPolarHBondContact O-CA 3.37Å; A702-Y740 WeakPolarHBondContact O-CB 3.43Å; Y740-D742 HydrophobicContact CE2-CB 4.38Å; Y740-W751 CarbonylContact O-C 3.58Å; Y740-W751 WeakPolarHBondContact O-CA 3.25Å; Y740-G752 WeakPolarHBondContact CD1-O 3.37Å; Y740-G752 VanDerWaalsContact CE1-C 3.45Å; Y740-G752 PolarHBondContact N-O 3Å; Y740-G752 PolarHBondContact O-N 2.03Å; Y740-T753 WeakPolarHBondContact CE1-O 3.09Å; Y740-I754 HydrophobicContact CD1-CB 3.85Å; Y740-I754 HydrophobicContact CD1-CG2 3.71Å; Y740-I754 HydrophobicContact CE1-CB 3.91Å; Y740-I754 HydrophobicContact CE1-CG2 4.31Å; Y740-L760 HydrophobicContact CD1-CD1 4.11Å; Y740-L760 HydrophobicContact CG-CD1 3.92Å |
| 741 | I | 86.9 | Confident | 68.2 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.8 | 169.9 | -82.7 | 172.5 | 0 | 0 | 0 | 110.2 | I686 M687 L690 H701 A702 I704 T743 W751 I763 | I686-I741 HydrophobicContact CG2-CD1 3.67Å; M687-I741 HydrophobicContact SD-CG2 3.61Å; L690-I741 HydrophobicContact CD1-CG2 4.11Å; H701-I741 CarbonylContact C-O 3.59Å; H701-I741 VanDerWaalsContact CA-O 3.26Å; H701-I741 WeakPolarHBondContact CA-O 3.34Å; A702-I741 PolarHBondContact N-O 3.25Å; A702-I741 PolarHBondContact O-N 3.22Å; I704-I741 HydrophobicContact CG2-CD1 3.54Å; I704-I741 HydrophobicContact CG2-CG1 3.87Å; I741-T743 HydrophobicContact CG2-CG2 4.33Å; I741-W751 VanDerWaalsContact CG1-CD1 3.47Å; I741-I763 HydrophobicContact CB-CD1 4.38Å; I741-I763 HydrophobicContact CD1-CD1 4.02Å |
| 742 | D | 81.9 | Confident | 69.6 | Low | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 108.9 | 170.9 | -168.1 | -19.3 | 0 | 0 | 0 | 113 | S700 H701 Q728 Y740 K744 I745 T750 | S700-D742 VanDerWaalsContact CB-OD1 3.3Å; S700-D742 WeakPolarHBondContact CB-OD1 3.5Å; S700-D742 WeakPolarHBondContact O-CA 3.34Å; H701-D742 IonicContact CD2-OD1 3.78Å; H701-D742 IonicContact CD2-OD2 2.7Å; H701-D742 PolarHBondContact CD2-OD2 3.47Å; H701-D742 VanDerWaalsContact CD2-OD2 3.28Å; H701-D742 IonicContact CE1-OD2 2.75Å; H701-D742 VanDerWaalsContact NE2-CG 3.3Å; H701-D742 IonicContact NE2-OD1 3.83Å; H701-D742 IonicContact NE2-OD2 3.88Å; H701-D742 PolarHBondContact NE2-OD2 2.88Å; Q728-D742 VanDerWaalsContact NE2-CB 3.33Å; Y740-D742 HydrophobicContact CE2-CB 4.38Å; D742-K744 VanDerWaalsContact C-N 3.31Å; D742-K744 PolarHBondContact O-N 3.12Å; D742-K744 WeakPolarHBondContact OD1-CB 3.45Å; D742-K744 PolarHBondContact OD1-N 2.82Å; D742-I745 HydrophobicContact CB-CD1 3.98Å; D742-I745 HydrophobicContact CB-CG1 4.2Å; D742-I745 PolarHBondContact O-N 3.21Å; D742-T750 WeakPolarHBondContact CB-O 3.46Å; D742-T750 PolarHBondContact N-O 3.06Å; D742-T750 VanDerWaalsContact O-CB 3.26Å; D742-T750 WeakPolarHBondContact O-CB 3.4Å; D742-T750 WeakPolarHBondContact O-CG2 3.33Å |
| 743 | T | 77.8 | Confident | 71.2 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.9 | -178.4 | 61.6 | 0 | 0 | 0 | 0 | 114.7 | L690 T694 S700 I741 I745 | L690-T743 HydrophobicContact CB-CG2 3.64Å; L690-T743 HydrophobicContact CD1-CG2 3.62Å; L690-T743 HydrophobicContact CG-CG2 4.17Å; T694-T743 HydrophobicContact CG2-CG2 4.31Å; T694-T743 PolarHBondContact OG1-OG1 3.32Å; S700-T743 WeakPolarHBondContact CA-OG1 3.23Å; S700-T743 PolarHBondContact O-N 3.17Å; S700-T743 PolarHBondContact O-OG1 3.32Å; I741-T743 HydrophobicContact CG2-CG2 4.33Å; T743-I745 VanDerWaalsContact C-N 3.28Å |
| 744 | K | 70 | Confident | 72.8 | Confident | 136 Ų | 136 | 43.9 Ų | 43.9 | 59% | 0.591 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15.9 | 173 | -78.4 | 168.3 | -171.6 | 136.5 | 0 | 112.9 | N698 S700 D742 D746 | N698-K744 PolarHBondContact O-NZ 2.84Å; S700-K744 VanDerWaalsContact CB-CD 3.44Å; S700-K744 VanDerWaalsContact CB-CE 3.48Å; S700-K744 VanDerWaalsContact CB-NZ 3.3Å; S700-K744 PolarHBondContact OG-NZ 3.42Å; D742-K744 VanDerWaalsContact C-N 3.31Å; D742-K744 PolarHBondContact O-N 3.12Å; D742-K744 WeakPolarHBondContact OD1-CB 3.45Å; D742-K744 PolarHBondContact OD1-N 2.82Å; K744-D746 PolarHBondContact O-N 2.81Å |
| 745 | I | 72.2 | Confident | 74.2 | Confident | 53 Ų | 53 | 43 Ų | 43 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -85.9 | 112.8 | -176.5 | -63.4 | 179.5 | 0 | 0 | 0 | 109.7 | M687 Q728 D742 T743 G747 T750 | M687-I745 WeakPolarHBondContact CE-O 3.17Å; Q728-I745 VanDerWaalsContact CD-CD1 3.43Å; Q728-I745 HydrophobicContact CG-CD1 3.57Å; D742-I745 HydrophobicContact CB-CD1 3.98Å; D742-I745 HydrophobicContact CB-CG1 4.2Å; D742-I745 PolarHBondContact O-N 3.21Å; T743-I745 VanDerWaalsContact C-N 3.28Å; I745-G747 PolarHBondContact O-N 3.39Å; I745-T750 HydrophobicContact CB-CG2 3.82Å; I745-T750 HydrophobicContact CG2-CG2 3.98Å |
| 746 | D | 63.5 | Low | 75.5 | Confident | 145 Ų | 145 | 36.6 Ų | 36.6 | 78% | 0.775 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -71.6 | 87.4 | 173.7 | -93 | -40.5 | 0 | 0 | 0 | 111.5 | K691 K744 | K691-D746 WeakPolarHBondContact CE-OD1 3.45Å; K691-D746 IonicContact NZ-OD1 3.99Å; K691-D746 PolarHBondContact NZ-OD1 3.32Å; K744-D746 PolarHBondContact O-N 2.81Å |
| 747 | G | 64.6 | Low | 76.5 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 164.1 | -156.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I745 | I745-G747 PolarHBondContact O-N 3.39Š|
| 748 | L | 66.5 | Low | 76.9 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -86.3 | -40.5 | 175.4 | -62.4 | 168.4 | 0 | 0 | 0 | 111.7 | E680 Q683 M684 F726 T750 I862 | E680-L748 HydrophobicContact CG-CD1 3.69Å; E680-L748 HydrophobicContact CG-CD2 3.59Å; E680-L748 HydrophobicContact CG-CG 4.28Å; Q683-L748 HydrophobicContact CG-CD2 4.44Å; Q683-L748 PolarHBondContact NE2-O 3.07Å; M684-L748 HydrophobicContact CG-CD2 3.51Å; F726-L748 WeakPolarHBondContact CB-O 3.36Å; F726-L748 HydrophobicContact CD1-CB 3.89Å; F726-L748 HydrophobicContact CE1-CB 4.22Å; L748-T750 PolarHBondContact O-N 2.79Å; L748-I862 HydrophobicContact CD1-CD1 4.17Å |
| 749 | H | 74.5 | Confident | 76.6 | Confident | 44 Ų | 44 | 33.9 Ų | 33.9 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | trans | -81 | 73.3 | -165.8 | -50.7 | -40.1 | 0 | 0 | 0 | 113.6 | F726 Q860 | F726-H749 CarbonylContact O-C 3.46Å; F726-H749 WeakPolarHBondContact O-CA 3.45Å; H749-Q860 PolarHBondContact CE1-O 2.88Å | ||
| 750 | T | 79 | Confident | 76.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -110.6 | -5.5 | -171.4 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | Q683 M687 F726 Q728 D742 I745 L748 | Q683-T750 PolarHBondContact NE2-OG1 3.31Å; M687-T750 HydrophobicContact CE-CG2 3.5Å; M687-T750 VanDerWaalsContact CE-CG2 3.5Å; M687-T750 HydrophobicContact CG-CG2 4.39Å; M687-T750 HydrophobicContact SD-CG2 3.61Å; F726-T750 PolarHBondContact O-N 2.62Å; Q728-T750 PolarHBondContact NE2-O 2.92Å; D742-T750 WeakPolarHBondContact CB-O 3.46Å; D742-T750 PolarHBondContact N-O 3.06Å; D742-T750 VanDerWaalsContact O-CB 3.26Å; D742-T750 WeakPolarHBondContact O-CB 3.4Å; D742-T750 WeakPolarHBondContact O-CG2 3.33Å; I745-T750 HydrophobicContact CB-CG2 3.82Å; I745-T750 HydrophobicContact CG2-CG2 3.98Å; L748-T750 PolarHBondContact O-N 2.79Å | ||
| 751 | W | 86.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.5 | -174.9 | -63.6 | 4.1 | 0 | 0 | 0 | 112.9 | V677 I704 L706 W715 S724 T725 F726 W727 Q728 V739 Y740 I741 | V677-W751 HydrophobicContact CB-CZ2 3.92Å; V677-W751 HydrophobicContact CG1-CZ2 4.12Å; I704-W751 HydrophobicContact CD1-CD2 3.84Å; I704-W751 VanDerWaalsContact CD1-CE2 3.43Å; I704-W751 HydrophobicContact CD1-CE3 4.39Å; I704-W751 HydrophobicContact CD1-CG 4.29Å; I704-W751 HydrophobicContact CD1-CH2 4.29Å; I704-W751 HydrophobicContact CD1-CZ2 3.69Å; L706-W751 HydrophobicContact CD2-CE3 3.97Å; L706-W751 HydrophobicContact CD2-CH2 4.12Å; L706-W751 HydrophobicContact CD2-CZ3 3.44Å; L706-W751 VanDerWaalsContact CD2-CZ3 3.44Å; W715-W751 AromaticContact CH2-CH2 3.83Å; W715-W751 HydrophobicContact CH2-CH2 3.83Å; W715-W751 HydrophobicContact CH2-CZ2 4.13Å; W715-W751 AromaticContact CZ2-CH2 3.95Å; W715-W751 HydrophobicContact CZ2-CH2 3.95Å; S724-W751 VanDerWaalsContact O-CH2 3.29Å; S724-W751 WeakPolarHBondContact O-CH2 3.32Å; T725-W751 HydrophobicContact CG2-CZ3 4.39Å; F726-W751 HydrophobicContact CB-CD2 3.92Å; F726-W751 HydrophobicContact CB-CG 3.93Å; F726-W751 HydrophobicContact CB-CZ2 4.44Å; F726-W751 AromaticContact CD2-CE2 3.75Å; F726-W751 HydrophobicContact CD2-CH2 4.08Å; F726-W751 AromaticContact CD2-CZ2 3.52Å; F726-W751 HydrophobicContact CD2-CZ2 3.52Å; F726-W751 HydrophobicContact CE2-CZ2 4.3Å; F726-W751 HydrophobicContact CG-CZ2 4.46Å; F726-W751 WeakPolarHBondContact O-CB 3.44Å; F726-W751 PolarHBondContact O-N 3.28Å; W727-W751 WeakPolarHBondContact CA-O 2.97Å; W727-W751 HydrophobicContact CD2-CB 4.49Å; W727-W751 HydrophobicContact CE3-CB 3.73Å; W727-W751 HydrophobicContact CE3-CE3 4.48Å; W727-W751 HydrophobicContact CZ3-CB 4.16Å; Q728-W751 WeakPolarHBondContact CG-O 3.28Å; Q728-W751 PolarHBondContact N-O 3.37Å; V739-W751 HydrophobicContact CG1-CB 3.93Å; V739-W751 HydrophobicContact CG1-CD2 4.13Å; V739-W751 HydrophobicContact CG1-CE3 4.17Å; V739-W751 HydrophobicContact CG1-CG 4.06Å; Y740-W751 CarbonylContact O-C 3.58Å; Y740-W751 WeakPolarHBondContact O-CA 3.25Å; I741-W751 VanDerWaalsContact CG1-CD1 3.47Å |
| 752 | G | 80.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 163.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V739 Y740 | V739-G752 WeakPolarHBondContact CA-O 3.07Å; Y740-G752 WeakPolarHBondContact CD1-O 3.37Å; Y740-G752 VanDerWaalsContact CE1-C 3.45Å; Y740-G752 PolarHBondContact N-O 3Å; Y740-G752 PolarHBondContact O-N 2.03Å |
| 753 | T | 78.4 | Confident | 76.8 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 148.3 | 171.4 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | W727 T734 E737 C738 Y740 | W727-T753 HydrophobicContact CE3-CG2 4.39Å; W727-T753 HydrophobicContact CH2-CG2 3.75Å; W727-T753 HydrophobicContact CZ3-CG2 3.49Å; W727-T753 VanDerWaalsContact CZ3-CG2 3.49Å; T734-T753 PolarHBondContact OG1-OG1 3.05Å; T734-T753 VanDerWaalsContact OG1-OG1 3.09Å; E737-T753 WeakPolarHBondContact OE2-CB 3.31Å; E737-T753 PolarHBondContact OE2-OG1 2.82Å; C738-T753 WeakPolarHBondContact O-CA 3.14Å; Y740-T753 WeakPolarHBondContact CE1-O 3.09Å |
| 754 | I | 79.3 | Confident | 77.3 | Confident | 34 Ų | 34 | 33 Ų | 33 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 154.8 | 179.4 | -164.4 | 167.7 | 0 | 0 | 0 | 110 | Y703 E737 C738 Y740 C756 E758 L760 | Y703-I754 HydrophobicContact CE1-CG2 3.52Å; E737-I754 CarbonylContact C-O 3.57Å; E737-I754 WeakPolarHBondContact CA-O 3.41Å; E737-I754 VanDerWaalsContact CB-O 3.28Å; E737-I754 WeakPolarHBondContact CB-O 3.47Å; C738-I754 PolarHBondContact N-O 2.89Å; C738-I754 PolarHBondContact O-N 3.02Å; Y740-I754 HydrophobicContact CD1-CB 3.85Å; Y740-I754 HydrophobicContact CD1-CG2 3.71Å; Y740-I754 HydrophobicContact CE1-CB 3.91Å; Y740-I754 HydrophobicContact CE1-CG2 4.31Å; I754-C756 PolarHBondContact O-N 3.08Å; I754-E758 HydrophobicContact CD1-CB 3.57Å; I754-E758 HydrophobicContact CD1-CG 3.81Å; I754-E758 HydrophobicContact CG1-CB 3.8Å; I754-E758 HydrophobicContact CG1-CG 3.66Å; I754-L760 HydrophobicContact CD1-CD1 4.09Å; I754-L760 HydrophobicContact CD1-CD2 4.37Å; I754-L760 HydrophobicContact CD1-CG 4.36Å; I754-L760 HydrophobicContact CG2-CD1 4.08Å |
| 755 | S | 76.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 26.6 Ų | 26.6 | 33% | 0.329 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 132.6 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | Y703 T757 E758 | Y703-S755 PolarHBondContact OH-O 3.39Å; Y703-S755 VanDerWaalsContact OH-O 3.12Å; S755-T757 PolarHBondContact O-N 2.89Å; S755-T757 PolarHBondContact OG-N 2.98Å; S755-T757 PolarHBondContact OG-OG1 2.83Å; S755-E758 WeakPolarHBondContact O-CB 3.35Å; S755-E758 PolarHBondContact O-N 3.32Å |
| 756 | C | 76.6 | Confident | 78.7 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.6 | 179 | -55 | 0 | 0 | 0 | 0 | 114.4 | F660 Y661 C738 I754 | F660-C756 HydrophobicContact CB-CB 4.06Å; F660-C756 WeakPolarHBondContact CB-O 3.41Å; F660-C756 PolarHBondContact N-O 3.07Å; F660-C756 VanDerWaalsContact N-O 3.09Å; Y661-C756 HydrophobicContact CE2-CB 3.85Å; C738-C756 HydrophobicContact CB-CB 3.92Å; C738-C756 WeakPolarHBondContact CB-SG 3.37Å; C738-C756 PolarHBondContact N-SG 2.68Å; C738-C756 VanDerWaalsContact N-SG 3.4Å; C738-C756 WeakPolarHBondContact SG-CB 3.1Å; C738-C756 CovalentContact SG-SG 2.04Å; C738-C756 PolarHBondContact SG-SG 3.35Å; I754-C756 PolarHBondContact O-N 3.08Å |
| 757 | T | 71.8 | Confident | 78.9 | Confident | 65 Ų | 65 | 23.5 Ų | 23.5 | 40% | 0.399 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.2 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | S527 T659 S755 | S527-T757 PolarHBondContact OG-O 2.86Å; T659-T757 VanDerWaalsContact CG2-O 3.29Å; T659-T757 WeakPolarHBondContact CG2-O 3.16Å; S755-T757 PolarHBondContact O-N 2.89Å; S755-T757 PolarHBondContact OG-N 2.98Å; S755-T757 PolarHBondContact OG-OG1 2.83Å |
| 758 | E | 73.5 | Confident | 79.1 | Confident | 33 Ų | 33 | 23.4 Ų | 23.4 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -81.7 | 135.9 | 176.1 | -66.3 | -75.8 | 160.8 | 0 | 0 | 110 | T530 K534 Y703 I754 S755 | T530-E758 WeakPolarHBondContact CG2-OE1 3.28Å; K534-E758 IonicContact NZ-OE1 3.68Å; K534-E758 PolarHBondContact NZ-OE1 2.95Å; K534-E758 IonicContact NZ-OE2 2.71Å; K534-E758 PolarHBondContact NZ-OE2 2.74Å; Y703-E758 VanDerWaalsContact CE2-O 3.27Å; Y703-E758 WeakPolarHBondContact CE2-O 3.31Å; Y703-E758 PolarHBondContact OH-O 2.82Å; I754-E758 HydrophobicContact CD1-CB 3.57Å; I754-E758 HydrophobicContact CD1-CG 3.81Å; I754-E758 HydrophobicContact CG1-CB 3.8Å; I754-E758 HydrophobicContact CG1-CG 3.66Å; S755-E758 WeakPolarHBondContact O-CB 3.35Å; S755-E758 PolarHBondContact O-N 3.32Å |
| 759 | P | 76.2 | Confident | 78.5 | Confident | 29 Ų | 29 | 24.8 Ų | 24.8 | 19% | 0.188 | 14% | 0.14 | C | C | . | . | trans | -86.4 | 114.6 | -178.1 | 33.2 | -33.3 | 0 | 0 | 0 | 111.6 | Y483 L657 A658 | Y483-P759 HydrophobicContact CE2-CG 4.28Å; L657-P759 HydrophobicContact CB-CB 4.14Å; A658-P759 WeakPolarHBondContact O-CA 3.39Å | ||
| 760 | L | 81.1 | Confident | 77.3 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 161.1 | 177.2 | -65.2 | -177.6 | 0 | 0 | 0 | 111.1 | L657 A658 H701 Y703 Y740 I754 | L657-L760 CarbonylContact C-O 3.42Å; L657-L760 WeakPolarHBondContact CA-O 3.1Å; A658-L760 PolarHBondContact N-O 3.18Å; A658-L760 PolarHBondContact O-N 2.88Å; A658-L760 VanDerWaalsContact O-O 3.13Å; H701-L760 HydrophobicContact CB-CD1 4.2Å; H701-L760 HydrophobicContact CB-CD2 4.05Å; Y703-L760 HydrophobicContact CD1-CD1 4.32Å; Y703-L760 HydrophobicContact CD2-CB 3.69Å; Y703-L760 HydrophobicContact CD2-CD1 4.35Å; Y703-L760 HydrophobicContact CD2-CG 4.36Å; Y703-L760 HydrophobicContact CE1-CD1 4.12Å; Y703-L760 HydrophobicContact CE2-CB 3.69Å; Y703-L760 HydrophobicContact CE2-CD1 4.15Å; Y703-L760 HydrophobicContact CE2-CG 3.98Å; Y703-L760 HydrophobicContact CG-CB 4.37Å; Y703-L760 HydrophobicContact CG-CD1 4.42Å; Y740-L760 HydrophobicContact CD1-CD1 4.11Å; Y740-L760 HydrophobicContact CG-CD1 3.92Å; I754-L760 HydrophobicContact CD1-CD1 4.09Å; I754-L760 HydrophobicContact CD1-CD2 4.37Å; I754-L760 HydrophobicContact CD1-CG 4.36Å; I754-L760 HydrophobicContact CG2-CD1 4.08Å |
| 761 | P | 85.2 | Confident | 75.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 163.3 | 155.4 | -21.4 | 34.4 | 0 | 0 | 0 | 110.9 | Y653 I654 L657 L699 H701 A702 Y703 | Y653-P761 HydrophobicContact CE2-CB 3.72Å; I654-P761 WeakPolarHBondContact O-CA 3.5Å; I654-P761 WeakPolarHBondContact O-CB 3.36Å; L657-P761 HydrophobicContact CD2-CG 3.8Å; L699-P761 HydrophobicContact CB-CG 4.26Å; L699-P761 HydrophobicContact CD1-CG 4.25Å; H701-P761 WeakPolarHBondContact O-CD 3.46Å; H701-P761 VanDerWaalsContact O-CG 3.23Å; H701-P761 WeakPolarHBondContact O-CG 3.48Å; A702-P761 CarbonylContact C-O 3.6Å; A702-P761 WeakPolarHBondContact CA-O 3.48Å; A702-P761 HydrophobicContact CB-CB 4.04Å; Y703-P761 PolarHBondContact N-O 3.13Å |
| 762 | Y | 89.8 | Confident | 73.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 155.3 | -179.2 | 52.8 | -80 | 0 | 0 | 0 | 112.6 | I654 Q656 A658 A663 V666 L674 | I654-Y762 HydrophobicContact CB-CD1 4.47Å; I654-Y762 HydrophobicContact CB-CD2 4.17Å; I654-Y762 HydrophobicContact CB-CE1 4.25Å; I654-Y762 HydrophobicContact CB-CE2 3.97Å; I654-Y762 HydrophobicContact CB-CG 4.42Å; I654-Y762 HydrophobicContact CD1-CD2 4.14Å; I654-Y762 HydrophobicContact CD1-CE2 3.52Å; I654-Y762 HydrophobicContact CG1-CE2 4.3Å; I654-Y762 HydrophobicContact CG2-CD1 4.37Å; I654-Y762 HydrophobicContact CG2-CE1 3.73Å; I654-Y762 HydrophobicContact CG2-CE2 4.02Å; I654-Y762 PolarHBondContact N-O 3.4Å; I654-Y762 PolarHBondContact O-N 3.47Å; Q656-Y762 WeakPolarHBondContact O-CD1 3.42Å; Q656-Y762 VanDerWaalsContact O-CE1 3.24Å; Q656-Y762 WeakPolarHBondContact O-CE1 3.36Å; A658-Y762 HydrophobicContact CB-CD1 3.97Å; A658-Y762 HydrophobicContact CB-CE1 3.48Å; A658-Y762 VanDerWaalsContact CB-CE1 3.48Å; A663-Y762 HydrophobicContact CB-CD1 3.8Å; A663-Y762 HydrophobicContact CB-CD2 3.67Å; A663-Y762 HydrophobicContact CB-CE1 4.26Å; A663-Y762 HydrophobicContact CB-CE2 4.11Å; A663-Y762 HydrophobicContact CB-CG 3.5Å; V666-Y762 HydrophobicContact CB-CE2 3.96Å; V666-Y762 VanDerWaalsContact CB-OH 3.32Å; V666-Y762 WeakPolarHBondContact CB-OH 3.28Å; V666-Y762 HydrophobicContact CG1-CE2 4.04Å; V666-Y762 WeakPolarHBondContact CG1-OH 3.43Å; L674-Y762 HydrophobicContact CD2-CD2 4.33Å |
| 763 | I | 89.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.9 | -178.6 | -49.5 | 151.3 | 0 | 0 | 0 | 106.9 | I651 Y653 A675 I686 L690 A702 Y703 I704 I741 | I651-I763 HydrophobicContact CB-CG2 4.17Å; I651-I763 HydrophobicContact CG2-CG2 4.45Å; Y653-I763 HydrophobicContact CD2-CG1 4.25Å; A675-I763 HydrophobicContact CB-CB 3.86Å; A675-I763 HydrophobicContact CB-CG2 3.77Å; A675-I763 VanDerWaalsContact CB-O 3.29Å; A675-I763 WeakPolarHBondContact CB-O 3.43Å; A675-I763 PolarHBondContact N-O 2.89Å; I686-I763 HydrophobicContact CG2-CD1 3.91Å; L690-I763 HydrophobicContact CD1-CD1 3.78Å; L690-I763 HydrophobicContact CD1-CG1 4.32Å; A702-I763 HydrophobicContact CB-CD1 4.02Å; A702-I763 HydrophobicContact CB-CG1 4.01Å; Y703-I763 PolarHBondContact O-N 2.86Å; I704-I763 HydrophobicContact CG2-CD1 3.94Å; I741-I763 HydrophobicContact CB-CD1 4.38Å; I741-I763 HydrophobicContact CD1-CD1 4.02Å |
| 764 | C | 89.6 | Confident | 69.6 | Low | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 146.8 | 168.6 | -53.7 | 0 | 0 | 0 | 0 | 110 | I651 R652 C667 M672 T673 | I651-C764 CarbonylContact C-O 3.48Å; I651-C764 VanDerWaalsContact CA-O 3.28Å; I651-C764 WeakPolarHBondContact CA-O 3.27Å; R652-C764 HydrophobicContact CB-CB 4.41Å; R652-C764 PolarHBondContact N-O 3.24Å; R652-C764 PolarHBondContact O-N 2.82Å; C667-C764 WeakPolarHBondContact CA-SG 3.42Å; C667-C764 HydrophobicContact CB-CB 3.8Å; C667-C764 WeakPolarHBondContact CB-SG 3.11Å; C667-C764 VanDerWaalsContact SG-CA 3.51Å; C667-C764 WeakPolarHBondContact SG-CB 3.23Å; C667-C764 CovalentContact SG-SG 2.04Å; C667-C764 PolarHBondContact SG-SG 2.91Å; M672-C764 HydrophobicContact CB-CB 3.81Å; M672-C764 HydrophobicContact CE-CB 4.48Å; M672-C764 HydrophobicContact CG-CB 4.4Å; M672-C764 HydrophobicContact SD-CB 3.71Å; T673-C764 CarbonylContact O-C 3.55Å; T673-C764 WeakPolarHBondContact O-CA 3.15Å |
| 765 | S | 87.4 | Confident | 67.7 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 162.8 | 171.2 | 78.9 | 0 | 0 | 0 | 0 | 112.9 | Y649 C650 M672 T673 A675 T676 | Y649-S765 VanDerWaalsContact OH-CB 3.23Å; Y649-S765 WeakPolarHBondContact OH-CB 3.49Å; C650-S765 WeakPolarHBondContact O-CA 3.04Å; M672-S765 WeakPolarHBondContact CA-O 3.33Å; M672-S765 VanDerWaalsContact CB-O 3.31Å; M672-S765 WeakPolarHBondContact CB-O 3.23Å; T673-S765 PolarHBondContact N-O 2.79Å; T673-S765 PolarHBondContact O-N 3.31Å; A675-S765 WeakPolarHBondContact CA-OG 3.39Å; T676-S765 PolarHBondContact N-OG 2.78Å; T676-S765 VanDerWaalsContact N-OG 3.13Å |
| 766 | T | 83.2 | Confident | 66.3 | Low | 40 Ų | 40 | 54.7 Ų | 54.7 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | trans | -56.9 | 146.5 | 162.5 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | C650 I768 | C650-T766 HydrophobicContact CB-CG2 3.93Å; C650-T766 PolarHBondContact N-OG1 2.75Å; C650-T766 PolarHBondContact O-N 3.23Å; C650-T766 VanDerWaalsContact O-N 3.14Å; T766-I768 PolarHBondContact O-N 3.28Å | ||
| 767 | E | 67.9 | Low | 64.8 | Low | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | trans | -67.4 | 111.6 | 177.1 | -175.2 | -164.7 | 144.9 | 0 | 0 | 110.1 | S769 R771 | E767-S769 PolarHBondContact O-N 3.45Å; E767-S769 WeakPolarHBondContact OE1-CB 3.38Å; E767-S769 PolarHBondContact OE1-OG 2.92Å; E767-R771 IonicContact OE1-CZ 3.94Å; E767-R771 IonicContact OE1-NH2 3.46Å; E767-R771 PolarHBondContact OE1-NH2 3.01Å; E767-R771 IonicContact OE2-NH2 3.39Å | ||
| 768 | I | 68.3 | Low | 63.5 | Low | 35 Ų | 35 | 59.1 Ų | 59.1 | 18% | 0.179 | 31% | 0.313 | C | S | . | . | trans | -78.5 | 67.9 | 173.3 | -48 | -178.2 | 0 | 0 | 0 | 109.5 | Y649 T676 P678 Y719 T766 S770 | Y649-I768 HydrophobicContact CD2-CD1 3.95Å; Y649-I768 HydrophobicContact CD2-CG1 4.13Å; Y649-I768 HydrophobicContact CE2-CD1 3.69Å; Y649-I768 HydrophobicContact CE2-CG1 4.05Å; T676-I768 HydrophobicContact CG2-CD1 4.15Å; T676-I768 WeakPolarHBondContact O-CD1 3.2Å; P678-I768 HydrophobicContact CG-CD1 3.63Å; Y719-I768 HydrophobicContact CD2-CB 4.43Å; Y719-I768 HydrophobicContact CD2-CG2 4.33Å; Y719-I768 VanDerWaalsContact CD2-O 3.31Å; Y719-I768 WeakPolarHBondContact CD2-O 3.42Å; Y719-I768 HydrophobicContact CE2-CG2 4.06Å; T766-I768 PolarHBondContact O-N 3.28Å; I768-S770 PolarHBondContact O-N 2.78Å; I768-S770 VanDerWaalsContact O-N 3.13Å | ||
| 769 | S | 54.9 | Low | 62.3 | Low | 54 Ų | 54 | 64.9 Ų | 64.9 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | trans | -68.2 | 113.2 | -177 | -138.7 | 0 | 0 | 0 | 0 | 111.3 | E767 R771 | E767-S769 PolarHBondContact O-N 3.45Å; E767-S769 WeakPolarHBondContact OE1-CB 3.38Å; E767-S769 PolarHBondContact OE1-OG 2.92Å; S769-R771 PolarHBondContact O-N 2.84Å; S769-R771 PolarHBondContact OG-NE 3.12Å | ||
| 770 | S | 49.2 | Very low | 60.9 | Low | 64 Ų | 64 | 66.5 Ų | 66.5 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | trans | -79 | -0.8 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | I768 V772 | I768-S770 PolarHBondContact O-N 2.78Å; I768-S770 VanDerWaalsContact O-N 3.13Å; S770-V772 PolarHBondContact O-N 3.3Å | ||
| 771 | R | 42.2 | Very low | 59.3 | Low | 174 Ų | 174 | 69 Ų | 69 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | trans | -59.9 | 98.2 | -172.5 | -73.4 | -174.5 | -93.3 | -156.7 | -6.8 | 112.8 | E767 S769 K773 | E767-R771 IonicContact OE1-CZ 3.94Å; E767-R771 IonicContact OE1-NH2 3.46Å; E767-R771 PolarHBondContact OE1-NH2 3.01Å; E767-R771 IonicContact OE2-NH2 3.39Å; S769-R771 PolarHBondContact O-N 2.84Å; S769-R771 PolarHBondContact OG-NE 3.12Å; R771-K773 PolarHBondContact O-N 2.69Å | ||
| 772 | V | 40.8 | Very low | 57.5 | Low | 97 Ų | 97 | 73.8 Ų | 73.8 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | trans | -54.6 | 123.4 | 167.2 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | S770 L774 I777 | S770-V772 PolarHBondContact O-N 3.3Å; V772-L774 PolarHBondContact O-N 3.08Å; V772-I777 HydrophobicContact CG1-CD1 4.34Å; V772-I777 HydrophobicContact CG1-CG1 3.78Å | ||
| 773 | K | 37.6 | Very low | 55.6 | Low | 161 Ų | 161 | 78.1 Ų | 78.1 | 70% | 0.7 | 41% | 0.411 | S | S | * | . | trans | -64 | 134.9 | 177 | -69.7 | -178.2 | 178.9 | 177.6 | 0 | 109.1 | R771 S775 S776 | R771-K773 PolarHBondContact O-N 2.69Å; K773-S775 PolarHBondContact O-N 2.83Å; K773-S776 WeakPolarHBondContact O-CB 3.48Å; K773-S776 PolarHBondContact O-N 3.21Å; K773-S776 PolarHBondContact O-OG 2.82Å | ||
| 774 | L | 41.2 | Very low | 53.6 | Low | 129 Ų | 129 | 80.8 Ų | 80.8 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -53.2 | -33.8 | -174.8 | -161.5 | 73 | 0 | 0 | 0 | 113.1 | V772 S776 I777 Q778 | V772-L774 PolarHBondContact O-N 3.08Å; L774-S776 VanDerWaalsContact C-N 3.28Å; L774-S776 PolarHBondContact O-N 2.96Å; L774-I777 HydrophobicContact CD1-CD1 4.46Å; L774-I777 PolarHBondContact O-N 2.66Å; L774-Q778 PolarHBondContact O-N 2.04Å |
| 775 | S | 40.2 | Very low | 51.8 | Low | 87 Ų | 87 | 85.1 Ų | 85.1 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.4 | -18.4 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 115.4 | K773 | K773-S775 PolarHBondContact O-N 2.83Å |
| 776 | S | 45.6 | Very low | 50.3 | Low | 57 Ų | 57 | 90.1 Ų | 90.1 | 40% | 0.399 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -77.8 | -37.3 | 171.1 | -9.3 | 0 | 0 | 0 | 0 | 111.4 | K773 L774 K779 A780 | K773-S776 WeakPolarHBondContact O-CB 3.48Å; K773-S776 PolarHBondContact O-N 3.21Å; K773-S776 PolarHBondContact O-OG 2.82Å; L774-S776 VanDerWaalsContact C-N 3.28Å; L774-S776 PolarHBondContact O-N 2.96Å; S776-K779 PolarHBondContact O-N 3.41Å; S776-A780 PolarHBondContact O-N 3.4Å |
| 777 | I | 45.7 | Very low | 49.6 | Very low | 64 Ų | 64 | 90.8 Ų | 90.8 | 33% | 0.328 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | -178.8 | -56.3 | -179.8 | 0 | 0 | 0 | 109.8 | V772 L774 K779 A780 Y781 | V772-I777 HydrophobicContact CG1-CD1 4.34Å; V772-I777 HydrophobicContact CG1-CG1 3.78Å; L774-I777 HydrophobicContact CD1-CD1 4.46Å; L774-I777 PolarHBondContact O-N 2.66Å; I777-K779 VanDerWaalsContact C-N 3.33Å; I777-K779 PolarHBondContact O-N 3.12Å; I777-A780 WeakPolarHBondContact O-CB 3.41Å; I777-A780 PolarHBondContact O-N 2.93Å; I777-A780 VanDerWaalsContact O-N 3.1Å; I777-Y781 PolarHBondContact O-N 3.24Å |
| 778 | Q | 45 | Very low | 49.6 | Very low | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -54.4 | -47.1 | 176.2 | -154.7 | 77.3 | 37.5 | 0 | 0 | 112.1 | L774 A780 Y781 D782 | L774-Q778 PolarHBondContact O-N 2.04Å; Q778-A780 VanDerWaalsContact C-N 3.35Å; Q778-A780 PolarHBondContact O-N 3.09Å; Q778-Y781 WeakPolarHBondContact O-CB 3.47Å; Q778-Y781 PolarHBondContact O-N 2.87Å; Q778-D782 PolarHBondContact O-N 3.47Å |
| 779 | K | 46.5 | Very low | 50.1 | Low | 155 Ų | 155 | 89.5 Ų | 89.5 | 67% | 0.674 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.6 | -27 | 179 | -79.7 | -171.4 | 172.5 | -174.7 | 0 | 114 | S776 I777 N783 | S776-K779 PolarHBondContact O-N 3.41Å; I777-K779 VanDerWaalsContact C-N 3.33Å; I777-K779 PolarHBondContact O-N 3.12Å; K779-N783 PolarHBondContact O-ND2 3.38Å |
| 780 | A | 48.7 | Very low | 51.4 | Low | 62 Ų | 62 | 88.6 Ų | 88.6 | 51% | 0.512 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S776 I777 Q778 D782 N783 M784 | S776-A780 PolarHBondContact O-N 3.4Å; I777-A780 WeakPolarHBondContact O-CB 3.41Å; I777-A780 PolarHBondContact O-N 2.93Å; I777-A780 VanDerWaalsContact O-N 3.1Å; Q778-A780 VanDerWaalsContact C-N 3.35Å; Q778-A780 PolarHBondContact O-N 3.09Å; A780-D782 PolarHBondContact O-N 2.95Å; A780-N783 PolarHBondContact O-N 2.86Å; A780-N783 VanDerWaalsContact O-N 3.14Å; A780-M784 PolarHBondContact O-N 2.89Å |
| 781 | Y | 47.4 | Very low | 52.6 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 29% | 0.29 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | -179.9 | -148.9 | -95.1 | 0 | 0 | 0 | 112.5 | I777 Q778 N783 M784 K1017 T1018 P1021 | I777-Y781 PolarHBondContact O-N 3.24Å; Q778-Y781 WeakPolarHBondContact O-CB 3.47Å; Q778-Y781 PolarHBondContact O-N 2.87Å; Y781-N783 PolarHBondContact O-N 3.23Å; Y781-N783 VanDerWaalsContact O-N 3.11Å; Y781-M784 WeakPolarHBondContact O-CB 3.49Å; Y781-M784 PolarHBondContact O-N 2.99Å; Y781-K1017 PolarHBondContact OH-O 3.42Å; Y781-T1018 VanDerWaalsContact OH-C 3.29Å; Y781-T1018 PolarHBondContact OH-O 2.97Å; Y781-P1021 HydrophobicContact CD1-CG 4.19Å; Y781-P1021 HydrophobicContact CD2-CB 3.86Å; Y781-P1021 HydrophobicContact CD2-CG 3.89Å; Y781-P1021 HydrophobicContact CE1-CG 3.96Å; Y781-P1021 HydrophobicContact CE2-CB 3.63Å; Y781-P1021 HydrophobicContact CE2-CG 3.64Å; Y781-P1021 HydrophobicContact CG-CG 4.15Å |
| 782 | D | 47 | Very low | 54.2 | Low | 102 Ų | 102 | 89 Ų | 89 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.2 | -27.1 | 178 | -67.9 | -26.8 | 0 | 0 | 0 | 113.4 | Q778 A780 | Q778-D782 PolarHBondContact O-N 3.47Å; A780-D782 PolarHBondContact O-N 2.95Å |
| 783 | N | 48.8 | Very low | 56.2 | Low | 94 Ų | 94 | 85.1 Ų | 85.1 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -89.5 | -17.8 | 178.3 | -78 | -83.5 | 0 | 0 | 0 | 113.5 | K779 A780 Y781 L785 F787 | K779-N783 PolarHBondContact O-ND2 3.38Å; A780-N783 PolarHBondContact O-N 2.86Å; A780-N783 VanDerWaalsContact O-N 3.14Å; Y781-N783 PolarHBondContact O-N 3.23Å; Y781-N783 VanDerWaalsContact O-N 3.11Å; N783-L785 VanDerWaalsContact C-N 3.26Å; N783-L785 PolarHBondContact O-N 2.61Å; N783-F787 VanDerWaalsContact O-CE2 3.31Å; N783-F787 WeakPolarHBondContact O-CE2 3.29Å |
| 784 | M | 49.4 | Very low | 58.2 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 28% | 0.276 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.8 | -20.3 | -170.8 | -172.4 | 164.9 | 160.2 | 0 | 0 | 113.6 | A780 Y781 F786 | A780-M784 PolarHBondContact O-N 2.89Å; Y781-M784 WeakPolarHBondContact O-CB 3.49Å; Y781-M784 PolarHBondContact O-N 2.99Å; M784-F786 PolarHBondContact O-N 3.28Å; M784-F786 VanDerWaalsContact O-N 3.12Å |
| 785 | L | 50.3 | Low | 59.8 | Low | 90 Ų | 90 | 74.9 Ų | 74.9 | 47% | 0.471 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -4.7 | -175.5 | -76.1 | 159.6 | 0 | 0 | 0 | 116.2 | N783 L930 | N783-L785 VanDerWaalsContact C-N 3.26Å; N783-L785 PolarHBondContact O-N 2.61Å; L785-L930 HydrophobicContact CD2-CD2 4.17Å |
| 786 | F | 55.8 | Low | 61.5 | Low | 105 Ų | 105 | 70.9 Ų | 70.9 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 15.6 | -170.3 | -65.3 | -80.3 | 0 | 0 | 0 | 114.8 | M784 R920 T921 | M784-F786 PolarHBondContact O-N 3.28Å; M784-F786 VanDerWaalsContact O-N 3.12Å; F786-R920 CarbonylContact O-C 3.18Å; F786-R920 VanDerWaalsContact O-CA 3.3Å; F786-R920 WeakPolarHBondContact O-CA 3.46Å; F786-T921 PolarHBondContact O-N 2.73Å |
| 787 | F | 68.5 | Low | 62.7 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | -168.9 | -75.5 | -71.1 | 0 | 0 | 0 | 113.9 | N783 P918 S919 R920 L930 | N783-F787 VanDerWaalsContact O-CE2 3.31Å; N783-F787 WeakPolarHBondContact O-CE2 3.29Å; F787-P918 HydrophobicContact CB-CB 3.78Å; F787-P918 HydrophobicContact CB-CG 4.03Å; F787-P918 HydrophobicContact CD1-CB 3.77Å; F787-P918 HydrophobicContact CD1-CG 3.58Å; F787-P918 HydrophobicContact CE1-CG 4.26Å; F787-P918 HydrophobicContact CG-CB 4.13Å; F787-P918 HydrophobicContact CG-CG 3.96Å; F787-S919 WeakPolarHBondContact CA-O 3.42Å; F787-R920 HydrophobicContact CD1-CG 4.01Å; F787-R920 HydrophobicContact CE1-CG 3.51Å; F787-R920 HydrophobicContact CZ-CG 4.06Å; F787-L930 WeakPolarHBondContact O-CD1 3.47Å |
| 788 | K | 68.1 | Low | 64 | Low | 78 Ų | 78 | 68.5 Ų | 68.5 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.1 | 178.3 | 178.3 | 170.9 | 177.2 | 165.3 | 0 | 111.6 | P918 S919 T921 | K788-P918 CarbonylContact O-C 3.51Å; K788-P918 WeakPolarHBondContact O-CA 3.08Å; K788-S919 PolarHBondContact N-O 3.02Å; K788-S919 PolarHBondContact O-N 3.04Å; K788-T921 HydrophobicContact CB-CG2 3.64Å; K788-T921 HydrophobicContact CD-CG2 4.2Å |
| 789 | C | 80.3 | Confident | 65.6 | Low | 23 Ų | 23 | 64.9 Ų | 64.9 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 157.3 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | F793 L795 C800 | C789-F793 HydrophobicContact CB-CB 4.08Å; C789-L795 PolarHBondContact SG-N 3.23Å; C789-C800 WeakPolarHBondContact CA-SG 3.14Å; C789-C800 HydrophobicContact CB-CB 3.65Å; C789-C800 WeakPolarHBondContact CB-SG 3.26Å; C789-C800 WeakPolarHBondContact SG-CB 3.47Å; C789-C800 CovalentContact SG-SG 2.03Å; C789-C800 PolarHBondContact SG-SG 3.17Å |
| 790 | P | 81.1 | Confident | 67.5 | Low | 34 Ų | 34 | 57.5 Ų | 57.5 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 164.6 | 163.9 | -22.7 | 35.8 | 0 | 0 | 0 | 112.9 | G792 F793 D824 V916 | P790-G792 PolarHBondContact O-N 3.47Å; P790-F793 HydrophobicContact CB-CD2 3.99Å; P790-F793 HydrophobicContact CB-CE2 4.43Å; P790-F793 PolarHBondContact O-N 3.17Å; P790-D824 WeakPolarHBondContact CB-OD2 3.45Å; P790-D824 WeakPolarHBondContact CG-OD2 3.36Å; P790-V916 HydrophobicContact CG-CG1 3.76Å; P790-V916 HydrophobicContact CG-CG2 4.3Å |
| 791 | E | 75.3 | Confident | 69.4 | Low | 196 Ų | 196 | 54.6 Ų | 54.6 | 92% | 0.916 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 133.9 | -177.8 | -168.2 | 169.9 | 173.4 | 0 | 0 | 111.7 | F793 | E791-F793 VanDerWaalsContact C-N 3.31Å; E791-F793 PolarHBondContact O-N 2.57Å |
| 792 | G | 74.5 | Confident | 71.4 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -20.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P790 | P790-G792 PolarHBondContact O-N 3.47Š|
| 793 | F | 83.4 | Confident | 73.4 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -90.1 | 146.4 | 175.7 | -65.3 | -104.8 | 0 | 0 | 0 | 112 | C789 P790 E791 C800 F801 M802 L823 D824 A827 C914 V916 | C789-F793 HydrophobicContact CB-CB 4.08Å; P790-F793 HydrophobicContact CB-CD2 3.99Å; P790-F793 HydrophobicContact CB-CE2 4.43Å; P790-F793 PolarHBondContact O-N 3.17Å; E791-F793 VanDerWaalsContact C-N 3.31Å; E791-F793 PolarHBondContact O-N 2.57Å; F793-C800 HydrophobicContact CB-CB 4.06Å; F793-C800 WeakPolarHBondContact CD1-O 3.4Å; F793-F801 CarbonylContact C-O 3.56Å; F793-F801 WeakPolarHBondContact CA-O 3.48Å; F793-M802 HydrophobicContact CD1-CB 3.69Å; F793-M802 HydrophobicContact CD1-CE 4.47Å; F793-M802 HydrophobicContact CD2-CE 3.93Å; F793-M802 HydrophobicContact CE1-CB 4.04Å; F793-M802 HydrophobicContact CE1-CE 4.12Å; F793-M802 HydrophobicContact CE2-CE 3.54Å; F793-M802 HydrophobicContact CG-CB 3.98Å; F793-M802 HydrophobicContact CG-CE 4.4Å; F793-M802 HydrophobicContact CZ-CE 3.65Å; F793-L823 HydrophobicContact CE2-CB 4.43Å; F793-L823 HydrophobicContact CZ-CB 4.39Å; F793-D824 HydrophobicContact CE2-CB 4.36Å; F793-A827 HydrophobicContact CE1-CB 4.25Å; F793-A827 HydrophobicContact CZ-CB 3.83Å; F793-C914 HydrophobicContact CE1-CB 3.71Å; F793-C914 HydrophobicContact CZ-CB 4.2Å; F793-V916 HydrophobicContact CB-CG1 4.34Å; F793-V916 HydrophobicContact CD1-CB 4.41Å; F793-V916 HydrophobicContact CD1-CG1 3.57Å; F793-V916 HydrophobicContact CD2-CG1 4.23Å; F793-V916 HydrophobicContact CE1-CB 4.12Å; F793-V916 HydrophobicContact CE1-CG1 3.74Å; F793-V916 HydrophobicContact CE2-CG1 4.37Å; F793-V916 HydrophobicContact CG-CG1 3.83Å; F793-V916 HydrophobicContact CZ-CB 4.45Å; F793-V916 HydrophobicContact CZ-CG1 4.14Å | ||
| 794 | M | 79.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.2 | 178.8 | -73.1 | -177.5 | -78.2 | 0 | 0 | 111.4 | V796 C800 F801 L844 M933 | M794-V796 PolarHBondContact O-N 2.86Å; M794-C800 CarbonylContact O-C 3.49Å; M794-C800 WeakPolarHBondContact O-CA 3.29Å; M794-F801 PolarHBondContact N-O 2.83Å; M794-F801 PolarHBondContact O-N 3.34Å; M794-L844 HydrophobicContact CE-CD1 4.11Å; M794-L844 HydrophobicContact CE-CD2 3.41Å; M794-L844 VanDerWaalsContact CE-CD2 3.41Å; M794-L844 HydrophobicContact CE-CG 4.41Å; M794-L844 HydrophobicContact SD-CD2 4.26Å; M794-M933 HydrophobicContact SD-CG 4.18Å |
| 795 | L | 75.9 | Confident | 77.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.2 | -178.9 | -167.7 | 70.9 | 0 | 0 | 0 | 111 | C789 P918 L930 | C789-L795 PolarHBondContact SG-N 3.23Å; L795-P918 HydrophobicContact CD1-CB 4.19Å; L795-P918 HydrophobicContact CD1-CG 4.22Å; L795-L930 HydrophobicContact CD2-CD1 3.4Å; L795-L930 HydrophobicContact CD2-CG 3.87Å |
| 796 | V | 75.1 | Confident | 78.6 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.8 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | M794 G798 S799 F801 L844 M933 L1014 | M794-V796 PolarHBondContact O-N 2.86Å; V796-G798 VanDerWaalsContact C-N 3.29Å; V796-G798 PolarHBondContact O-N 2.89Å; V796-S799 PolarHBondContact N-O 3.45Å; V796-S799 PolarHBondContact O-N 3.35Å; V796-F801 HydrophobicContact CB-CD2 3.72Å; V796-F801 HydrophobicContact CB-CE2 3.95Å; V796-F801 HydrophobicContact CG2-CD2 3.96Å; V796-L844 HydrophobicContact CG2-CD1 4.49Å; V796-M933 HydrophobicContact CG2-SD 3.68Å; V796-L1014 HydrophobicContact CG1-CD1 4.47Å |
| 797 | S | 71.2 | Confident | 79.5 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 47.9 | 179.2 | -149.1 | 0 | 0 | 0 | 0 | 114.5 | S799 E836 | S797-S799 VanDerWaalsContact C-N 3.26Å; S797-S799 PolarHBondContact O-N 3.44Å; S797-E836 WeakPolarHBondContact OG-CB 3.16Å |
| 798 | G | 71.9 | Confident | 80.1 | Confident | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 5.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | V796 P918 | V796-G798 VanDerWaalsContact C-N 3.29Å; V796-G798 PolarHBondContact O-N 2.89Å; G798-P918 WeakPolarHBondContact O-CD 3.34Å; G798-P918 VanDerWaalsContact O-CG 3.27Å; G798-P918 WeakPolarHBondContact O-CG 3.48Å |
| 799 | S | 79.5 | Confident | 80.9 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 150.9 | 175.6 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | V796 S797 Q837 | V796-S799 PolarHBondContact N-O 3.45Å; V796-S799 PolarHBondContact O-N 3.35Å; S797-S799 VanDerWaalsContact C-N 3.26Å; S797-S799 PolarHBondContact O-N 3.44Å; S799-Q837 PolarHBondContact OG-NE2 2.73Å |
| 800 | C | 86.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | -172.1 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | C789 F793 M794 E915 V916 | C789-C800 WeakPolarHBondContact CA-SG 3.14Å; C789-C800 HydrophobicContact CB-CB 3.65Å; C789-C800 WeakPolarHBondContact CB-SG 3.26Å; C789-C800 WeakPolarHBondContact SG-CB 3.47Å; C789-C800 CovalentContact SG-SG 2.03Å; C789-C800 PolarHBondContact SG-SG 3.17Å; F793-C800 HydrophobicContact CB-CB 4.06Å; F793-C800 WeakPolarHBondContact CD1-O 3.4Å; M794-C800 CarbonylContact O-C 3.49Å; M794-C800 WeakPolarHBondContact O-CA 3.29Å; C800-E915 CarbonylContact O-C 3.59Å; C800-E915 WeakPolarHBondContact O-CA 3.17Å; C800-V916 HydrophobicContact CB-CG1 3.59Å; C800-V916 VanDerWaalsContact CB-O 3.28Å; C800-V916 WeakPolarHBondContact CB-O 3.34Å; C800-V916 PolarHBondContact N-O 3.46Å; C800-V916 PolarHBondContact O-N 3.47Å |
| 801 | F | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.6 | -175.2 | -60.8 | -88.6 | 0 | 0 | 0 | 113.5 | F793 M794 V796 A830 Q837 L841 I913 C914 E915 | F793-F801 CarbonylContact C-O 3.56Å; F793-F801 WeakPolarHBondContact CA-O 3.48Å; M794-F801 PolarHBondContact N-O 2.83Å; M794-F801 PolarHBondContact O-N 3.34Å; V796-F801 HydrophobicContact CB-CD2 3.72Å; V796-F801 HydrophobicContact CB-CE2 3.95Å; V796-F801 HydrophobicContact CG2-CD2 3.96Å; F801-A830 HydrophobicContact CD1-CB 3.66Å; F801-A830 HydrophobicContact CE1-CB 3.79Å; F801-Q837 HydrophobicContact CE2-CG 4.25Å; F801-Q837 HydrophobicContact CZ-CB 4.39Å; F801-Q837 HydrophobicContact CZ-CG 4.22Å; F801-L841 HydrophobicContact CB-CD2 3.9Å; F801-L841 HydrophobicContact CD1-CD1 4.32Å; F801-L841 HydrophobicContact CD1-CD2 4.02Å; F801-L841 HydrophobicContact CE1-CD1 4.27Å; F801-L841 HydrophobicContact CG-CD2 3.92Å; F801-I913 HydrophobicContact CD1-CG2 4.49Å; F801-C914 CarbonylContact C-O 3.28Å; F801-C914 WeakPolarHBondContact CA-O 3.34Å; F801-E915 HydrophobicContact CD1-CB 3.73Å; F801-E915 HydrophobicContact CD1-CG 4.04Å; F801-E915 HydrophobicContact CE1-CB 3.69Å; F801-E915 HydrophobicContact CE1-CG 3.67Å; F801-E915 HydrophobicContact CZ-CG 4.08Å |
| 802 | M | 88.5 | Confident | 82.4 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 127.4 | 171.2 | 177.8 | 172.4 | 42.2 | 0 | 0 | 110.8 | F793 L823 I913 C914 | F793-M802 HydrophobicContact CD1-CB 3.69Å; F793-M802 HydrophobicContact CD1-CE 4.47Å; F793-M802 HydrophobicContact CD2-CE 3.93Å; F793-M802 HydrophobicContact CE1-CB 4.04Å; F793-M802 HydrophobicContact CE1-CE 4.12Å; F793-M802 HydrophobicContact CE2-CE 3.54Å; F793-M802 HydrophobicContact CG-CB 3.98Å; F793-M802 HydrophobicContact CG-CE 4.4Å; F793-M802 HydrophobicContact CZ-CE 3.65Å; M802-L823 HydrophobicContact CE-CB 4.14Å; M802-L823 HydrophobicContact CE-CD1 3.76Å; M802-L823 HydrophobicContact CE-CD2 4.2Å; M802-L823 HydrophobicContact CE-CG 4.24Å; M802-I913 CarbonylContact O-C 3.56Å; M802-I913 WeakPolarHBondContact O-CA 3.38Å; M802-C914 PolarHBondContact N-O 2.86Å; M802-C914 PolarHBondContact O-N 3.26Å |
| 803 | V | 89 | Confident | 83.3 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.9 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | A805 L844 M845 Q848 I913 | V803-A805 HydrophobicContact CG1-CB 3.84Å; V803-L844 HydrophobicContact CG2-CB 3.63Å; V803-L844 HydrophobicContact CG2-CD1 4.41Å; V803-M845 HydrophobicContact CG1-SD 4.02Å; V803-Q848 HydrophobicContact CG1-CG 3.97Å; V803-I913 HydrophobicContact CG1-CG1 4.47Å; V803-I913 HydrophobicContact CG2-CD1 4.32Å; V803-I913 HydrophobicContact CG2-CG1 4.12Å; V803-I913 HydrophobicContact CG2-CG2 4.07Å |
| 804 | K | 88.3 | Confident | 83.6 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 27% | 0.274 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 79.3 | 177 | -71.6 | -66.5 | -171.5 | 176.9 | 0 | 109.3 | D809 G911 Y912 | K804-D809 HydrophobicContact CB-CB 4.06Å; K804-D809 VanDerWaalsContact O-CB 3.29Å; K804-D809 WeakPolarHBondContact O-CB 3.24Å; K804-G911 CarbonylContact O-C 3.52Å; K804-G911 WeakPolarHBondContact O-CA 3.47Å; K804-Y912 HydrophobicContact CB-CD1 3.98Å; K804-Y912 HydrophobicContact CB-CD2 4.03Å; K804-Y912 HydrophobicContact CB-CE1 3.68Å; K804-Y912 HydrophobicContact CB-CE2 3.74Å; K804-Y912 HydrophobicContact CB-CG 4.13Å; K804-Y912 HydrophobicContact CG-CD2 4.39Å; K804-Y912 HydrophobicContact CG-CE1 4.39Å; K804-Y912 HydrophobicContact CG-CE2 3.76Å; K804-Y912 PolarHBondContact N-O 2.84Å; K804-Y912 PolarHBondContact O-N 3.09Å |
| 805 | A | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -130.3 | 35.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | V803 D809 Q848 Q849 F850 A852 | V803-A805 HydrophobicContact CG1-CB 3.84Å; A805-D809 PolarHBondContact N-OD2 2.9Å; A805-Q848 HydrophobicContact CB-CB 3.87Å; A805-Q848 HydrophobicContact CB-CG 3.97Å; A805-Q849 PolarHBondContact O-N 3.14Å; A805-Q849 VanDerWaalsContact O-N 3.13Å; A805-F850 WeakPolarHBondContact CB-O 3.4Å; A805-F850 PolarHBondContact O-N 3.12Å; A805-A852 HydrophobicContact CB-CB 4.1Å | ||
| 806 | N | 81.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 39 Ų | 39 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -87.7 | 164 | 167.5 | -54.3 | -87.1 | 0 | 0 | 0 | 110.8 | N808 D809 | N806-N808 PolarHBondContact O-N 3.03Å; N806-D809 VanDerWaalsContact CB-OD2 3.29Å; N806-D809 WeakPolarHBondContact CB-OD2 3.41Å; N806-D809 PolarHBondContact N-OD2 2.68Å; N806-D809 PolarHBondContact ND2-OD2 2.99Å; N806-D809 PolarHBondContact O-N 3.39Å |
| 807 | K | 74.6 | Confident | 85.7 | Confident | 146 Ų | 146 | 39.9 Ų | 39.9 | 64% | 0.635 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | -29 | 176.3 | -166.2 | 167.7 | -177.1 | 172 | 0 | 115.2 | F850 | K807-F850 HydrophobicContact CB-CD2 4.39Å; K807-F850 HydrophobicContact CB-CE2 3.6Å; K807-F850 HydrophobicContact CB-CZ 4.28Å; K807-F850 HydrophobicContact CD-CE2 4.49Å; K807-F850 HydrophobicContact CG-CE2 3.81Å; K807-F850 HydrophobicContact CG-CZ 3.97Å |
| 808 | N | 81.3 | Confident | 86.6 | Confident | 156 Ų | 156 | 40.9 Ų | 40.9 | 83% | 0.834 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -16.2 | -179.6 | -63.6 | -7.4 | 0 | 0 | 0 | 113.4 | N806 A810 | N806-N808 PolarHBondContact O-N 3.03Å; N808-A810 VanDerWaalsContact C-N 3.3Å |
| 809 | D | 84.5 | Confident | 87.5 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -85.6 | -4 | 177.5 | -58.5 | -50.9 | 0 | 0 | 0 | 112 | K804 A805 N806 V811 Y912 | K804-D809 HydrophobicContact CB-CB 4.06Å; K804-D809 VanDerWaalsContact O-CB 3.29Å; K804-D809 WeakPolarHBondContact O-CB 3.24Å; A805-D809 PolarHBondContact N-OD2 2.9Å; N806-D809 VanDerWaalsContact CB-OD2 3.29Å; N806-D809 WeakPolarHBondContact CB-OD2 3.41Å; N806-D809 PolarHBondContact N-OD2 2.68Å; N806-D809 PolarHBondContact ND2-OD2 2.99Å; N806-D809 PolarHBondContact O-N 3.39Å; D809-V811 PolarHBondContact O-N 3.32Å; D809-Y912 HydrophobicContact CB-CE1 4.17Å; D809-Y912 WeakPolarHBondContact O-CE1 3.42Å |
| 810 | A | 87.2 | Confident | 88.2 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | trans | -71.7 | 107.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N808 K909 F910 | N808-A810 VanDerWaalsContact C-N 3.3Å; A810-K909 HydrophobicContact CB-CB 4.38Å; A810-F910 CarbonylContact C-O 3.52Å; A810-F910 VanDerWaalsContact CA-O 3.28Å; A810-F910 WeakPolarHBondContact CA-O 3.29Å | ||
| 811 | V | 91.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -137.9 | 168.1 | -173.8 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | D809 A815 A816 L819 W853 K909 F910 Y912 | D809-V811 PolarHBondContact O-N 3.32Å; V811-A815 HydrophobicContact CB-CB 4Å; V811-A815 HydrophobicContact CG2-CB 4.35Å; V811-A816 HydrophobicContact CG2-CB 3.83Å; V811-L819 HydrophobicContact CG1-CD1 4.21Å; V811-L819 HydrophobicContact CG2-CD1 4.17Å; V811-W853 PolarHBondContact O-NE1 2.7Å; V811-K909 WeakPolarHBondContact O-CA 3.37Å; V811-F910 PolarHBondContact N-O 2.95Å; V811-F910 PolarHBondContact O-N 3.19Å; V811-F910 VanDerWaalsContact O-N 3.11Å; V811-Y912 HydrophobicContact CG2-CD1 3.78Å; V811-Y912 HydrophobicContact CG2-CE1 4.03Å |
| 812 | D | 91.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | -72.2 | 161.7 | 169.1 | 66.4 | 84 | 0 | 0 | 0 | 111.9 | S814 A815 A816 K908 | D812-S814 VanDerWaalsContact C-N 3.25Å; D812-S814 PolarHBondContact O-N 2.84Å; D812-S814 WeakPolarHBondContact OD1-CA 3.41Å; D812-S814 WeakPolarHBondContact OD1-CB 3.34Å; D812-S814 PolarHBondContact OD1-N 2.74Å; D812-A815 PolarHBondContact O-N 2.99Å; D812-A815 PolarHBondContact OD1-N 2.89Å; D812-A815 WeakPolarHBondContact OD2-CB 3.38Å; D812-A816 WeakPolarHBondContact O-CB 3.42Å; D812-A816 PolarHBondContact O-N 2.91Å; D812-K908 WeakPolarHBondContact CA-O 3.34Å | ||
| 813 | W | 92.1 | Very high | 88 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -30.7 | -174.4 | -172 | 97 | 0 | 0 | 0 | 113 | S817 L829 W853 I854 R857 I866 C888 C906 | W813-S817 WeakPolarHBondContact O-CB 3.31Å; W813-S817 PolarHBondContact O-N 3.34Å; W813-L829 HydrophobicContact CD2-CD1 3.83Å; W813-L829 VanDerWaalsContact CE2-CD1 3.44Å; W813-L829 HydrophobicContact CG-CD1 4.06Å; W813-L829 HydrophobicContact CZ2-CD1 3.86Å; W813-W853 HydrophobicContact CB-CD2 4.06Å; W813-W853 HydrophobicContact CB-CG 4.34Å; W813-W853 HydrophobicContact CB-CZ2 4.35Å; W813-W853 AromaticContact CD1-CD2 3.85Å; W813-W853 AromaticContact CD1-CE3 3.83Å; W813-W853 AromaticContact CD1-CG 3.96Å; W813-W853 HydrophobicContact CG-CD2 4.39Å; W813-I854 PolarHBondContact NE1-O 3.05Å; W813-R857 HydrophobicContact CH2-CB 4.15Å; W813-R857 HydrophobicContact CH2-CG 4.46Å; W813-R857 HydrophobicContact CZ2-CB 3.75Å; W813-R857 HydrophobicContact CZ2-CG 4.39Å; W813-I866 HydrophobicContact CH2-CB 4.5Å; W813-I866 HydrophobicContact CH2-CD1 3.65Å; W813-I866 HydrophobicContact CH2-CG1 4.08Å; W813-I866 HydrophobicContact CZ2-CB 4.43Å; W813-I866 HydrophobicContact CZ2-CD1 3.96Å; W813-I866 HydrophobicContact CZ2-CG1 4.43Å; W813-I866 HydrophobicContact CZ3-CD1 4.48Å; W813-C888 HydrophobicContact CB-CB 4.21Å; W813-C888 VanDerWaalsContact CD1-SG 3.54Å; W813-C888 VanDerWaalsContact CD2-SG 3.57Å; W813-C888 HydrophobicContact CG-CB 3.85Å; W813-C906 HydrophobicContact CB-CB 4.16Å; W813-C906 PolarHBondContact N-O 2.98Å |
| 814 | S | 89.3 | Confident | 87.8 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.9 | -40.2 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | D812 N818 | D812-S814 VanDerWaalsContact C-N 3.25Å; D812-S814 PolarHBondContact O-N 2.84Å; D812-S814 WeakPolarHBondContact OD1-CA 3.41Å; D812-S814 WeakPolarHBondContact OD1-CB 3.34Å; D812-S814 PolarHBondContact OD1-N 2.74Å; S814-N818 PolarHBondContact O-N 3.35Å; S814-N818 VanDerWaalsContact O-N 3.12Å; S814-N818 PolarHBondContact O-ND2 3.4Å |
| 815 | A | 91.2 | Very high | 87.4 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V811 D812 S817 N818 L819 | V811-A815 HydrophobicContact CB-CB 4Å; V811-A815 HydrophobicContact CG2-CB 4.35Å; D812-A815 PolarHBondContact O-N 2.99Å; D812-A815 PolarHBondContact OD1-N 2.89Å; D812-A815 WeakPolarHBondContact OD2-CB 3.38Å; A815-S817 PolarHBondContact O-N 2.83Å; A815-N818 PolarHBondContact O-N 3.17Å; A815-L819 WeakPolarHBondContact O-CB 3.33Å; A815-L819 VanDerWaalsContact O-CG 3.28Å; A815-L819 WeakPolarHBondContact O-CG 3.48Å; A815-L819 PolarHBondContact O-N 3.15Å |
| 816 | A | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V811 D812 N818 L819 C820 L829 Y912 | V811-A816 HydrophobicContact CG2-CB 3.83Å; D812-A816 WeakPolarHBondContact O-CB 3.42Å; D812-A816 PolarHBondContact O-N 2.91Å; A816-N818 PolarHBondContact O-N 3.4Å; A816-L819 PolarHBondContact O-N 3.29Å; A816-L819 VanDerWaalsContact O-N 3.16Å; A816-C820 PolarHBondContact O-N 2.76Å; A816-C820 PolarHBondContact O-SG 3.48Å; A816-L829 HydrophobicContact CB-CD1 4.27Å; A816-L829 HydrophobicContact CB-CD2 3.94Å; A816-Y912 HydrophobicContact CB-CD1 4.19Å; A816-Y912 HydrophobicContact CB-CD2 4.41Å; A816-Y912 HydrophobicContact CB-CG 3.84Å |
| 817 | S | 91.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | W813 A815 C820 R821 I866 | W813-S817 WeakPolarHBondContact O-CB 3.31Å; W813-S817 PolarHBondContact O-N 3.34Å; A815-S817 PolarHBondContact O-N 2.83Å; S817-C820 PolarHBondContact O-N 3.26Å; S817-R821 PolarHBondContact O-N 2.91Å; S817-I866 WeakPolarHBondContact OG-CD1 3.34Å |
| 818 | N | 90.5 | Very high | 88.4 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 175.5 | -73.9 | -59.5 | 0 | 0 | 0 | 112.7 | S814 A815 A816 R821 I822 | S814-N818 PolarHBondContact O-N 3.35Å; S814-N818 VanDerWaalsContact O-N 3.12Å; S814-N818 PolarHBondContact O-ND2 3.4Å; A815-N818 PolarHBondContact O-N 3.17Å; A816-N818 PolarHBondContact O-N 3.4Å; N818-R821 PolarHBondContact O-N 3.47Å; N818-R821 PolarHBondContact OD1-NH1 3.38Å; N818-R821 VanDerWaalsContact OD1-NH1 3.11Å; N818-R821 PolarHBondContact OD1-NH2 3.24Å; N818-I822 WeakPolarHBondContact O-CD1 3.03Å; N818-I822 VanDerWaalsContact O-CG1 3.27Å; N818-I822 WeakPolarHBondContact O-CG1 3.41Å; N818-I822 PolarHBondContact O-N 2.96Å; N818-I822 VanDerWaalsContact O-N 3.11Å |
| 819 | L | 90.9 | Very high | 89 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.288 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 176.5 | -75.8 | 166.6 | 0 | 0 | 0 | 112 | V811 A815 A816 R821 I822 L823 Y912 | V811-L819 HydrophobicContact CG1-CD1 4.21Å; V811-L819 HydrophobicContact CG2-CD1 4.17Å; A815-L819 WeakPolarHBondContact O-CB 3.33Å; A815-L819 VanDerWaalsContact O-CG 3.28Å; A815-L819 WeakPolarHBondContact O-CG 3.48Å; A815-L819 PolarHBondContact O-N 3.15Å; A816-L819 PolarHBondContact O-N 3.29Å; A816-L819 VanDerWaalsContact O-N 3.16Å; L819-R821 VanDerWaalsContact C-N 3.34Å; L819-R821 PolarHBondContact O-N 3.46Å; L819-I822 WeakPolarHBondContact O-CB 3.4Å; L819-I822 PolarHBondContact O-N 2.98Å; L819-I822 VanDerWaalsContact O-N 3.08Å; L819-L823 WeakPolarHBondContact O-CD1 3.35Å; L819-L823 VanDerWaalsContact O-CG 3.29Å; L819-L823 WeakPolarHBondContact O-CG 3.4Å; L819-L823 PolarHBondContact O-N 2.96Å; L819-L823 VanDerWaalsContact O-N 3.07Å; L819-Y912 HydrophobicContact CB-CE2 4.09Å; L819-Y912 HydrophobicContact CD1-CE1 4.07Å |
| 820 | C | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 171.7 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | A816 S817 I822 L823 D824 A827 C914 | A816-C820 PolarHBondContact O-N 2.76Å; A816-C820 PolarHBondContact O-SG 3.48Å; S817-C820 PolarHBondContact O-N 3.26Å; C820-I822 PolarHBondContact O-N 3.43Å; C820-I822 VanDerWaalsContact O-N 3.16Å; C820-L823 WeakPolarHBondContact O-CB 3.1Å; C820-L823 PolarHBondContact O-N 3.34Å; C820-D824 PolarHBondContact O-N 2.77Å; C820-A827 HydrophobicContact CB-CB 4.47Å; C820-A827 WeakPolarHBondContact O-CB 3.18Å; C820-C914 WeakPolarHBondContact CA-SG 3.48Å; C820-C914 HydrophobicContact CB-CB 3.77Å; C820-C914 WeakPolarHBondContact CB-SG 3.43Å; C820-C914 WeakPolarHBondContact SG-CA 3.37Å; C820-C914 WeakPolarHBondContact SG-CB 3.23Å; C820-C914 CovalentContact SG-SG 2.04Å; C820-C914 PolarHBondContact SG-SG 2.89Å |
| 821 | R | 88.7 | Confident | 89.4 | Confident | 131 Ų | 131 | 46.1 Ų | 46.1 | 49% | 0.494 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.2 | -11 | 178.1 | -158.1 | 179.6 | 64.5 | -105.7 | -6.8 | 114.7 | S817 N818 L819 D824 A827 | S817-R821 PolarHBondContact O-N 2.91Å; N818-R821 PolarHBondContact O-N 3.47Å; N818-R821 PolarHBondContact OD1-NH1 3.38Å; N818-R821 VanDerWaalsContact OD1-NH1 3.11Å; N818-R821 PolarHBondContact OD1-NH2 3.24Å; L819-R821 VanDerWaalsContact C-N 3.34Å; L819-R821 PolarHBondContact O-N 3.46Å; R821-D824 CarbonylContact C-O 3.59Å; R821-D824 VanDerWaalsContact CA-O 3.28Å; R821-D824 WeakPolarHBondContact CA-O 3.46Å; R821-A827 WeakPolarHBondContact CA-O 3.06Å; R821-A827 PolarHBondContact N-O 3.5Å |
| 822 | I | 86.3 | Confident | 89.2 | Confident | 131 Ų | 131 | 44.8 Ų | 44.8 | 67% | 0.672 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -89.4 | -27.3 | 171.4 | -72.5 | 163.5 | 0 | 0 | 0 | 111 | N818 L819 C820 | N818-I822 WeakPolarHBondContact O-CD1 3.03Å; N818-I822 VanDerWaalsContact O-CG1 3.27Å; N818-I822 WeakPolarHBondContact O-CG1 3.41Å; N818-I822 PolarHBondContact O-N 2.96Å; N818-I822 VanDerWaalsContact O-N 3.11Å; L819-I822 WeakPolarHBondContact O-CB 3.4Å; L819-I822 PolarHBondContact O-N 2.98Å; L819-I822 VanDerWaalsContact O-N 3.08Å; C820-I822 PolarHBondContact O-N 3.43Å; C820-I822 VanDerWaalsContact O-N 3.16Å |
| 823 | L | 86.2 | Confident | 88.5 | Confident | 77 Ų | 77 | 44.9 Ų | 44.9 | 40% | 0.403 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -78.5 | -37.8 | 179.5 | -68.5 | 156.8 | 0 | 0 | 0 | 111.8 | F793 M802 L819 C820 Y912 | F793-L823 HydrophobicContact CE2-CB 4.43Å; F793-L823 HydrophobicContact CZ-CB 4.39Å; M802-L823 HydrophobicContact CE-CB 4.14Å; M802-L823 HydrophobicContact CE-CD1 3.76Å; M802-L823 HydrophobicContact CE-CD2 4.2Å; M802-L823 HydrophobicContact CE-CG 4.24Å; L819-L823 WeakPolarHBondContact O-CD1 3.35Å; L819-L823 VanDerWaalsContact O-CG 3.29Å; L819-L823 WeakPolarHBondContact O-CG 3.4Å; L819-L823 PolarHBondContact O-N 2.96Å; L819-L823 VanDerWaalsContact O-N 3.07Å; C820-L823 WeakPolarHBondContact O-CB 3.1Å; C820-L823 PolarHBondContact O-N 3.34Å; L823-Y912 HydrophobicContact CD1-CE2 4.26Å |
| 824 | D | 83.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | trans | -147.1 | 146.2 | 162.1 | -167.7 | -58.6 | 0 | 0 | 0 | 108.5 | P790 F793 C820 R821 D826 A827 V916 | P790-D824 WeakPolarHBondContact CB-OD2 3.45Å; P790-D824 WeakPolarHBondContact CG-OD2 3.36Å; F793-D824 HydrophobicContact CE2-CB 4.36Å; C820-D824 PolarHBondContact O-N 2.77Å; R821-D824 CarbonylContact C-O 3.59Å; R821-D824 VanDerWaalsContact CA-O 3.28Å; R821-D824 WeakPolarHBondContact CA-O 3.46Å; D824-D826 VanDerWaalsContact C-N 3.26Å; D824-D826 PolarHBondContact O-N 2.97Å; D824-D826 PolarHBondContact OD1-N 3.44Å; D824-A827 HydrophobicContact CB-CB 3.89Å; D824-A827 WeakPolarHBondContact O-CB 3.37Å; D824-A827 PolarHBondContact O-N 3.45Å; D824-A827 VanDerWaalsContact O-N 3.13Å; D824-V916 HydrophobicContact CB-CG2 4.34Å | ||
| 825 | A | 80.4 | Confident | 86.9 | Confident | 81 Ų | 81 | 43 Ų | 43 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 826 | D | 83.2 | Confident | 86 | Confident | 127 Ų | 127 | 43.2 Ų | 43.2 | 68% | 0.679 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.4 | 176.6 | -77 | -22.1 | 0 | 0 | 0 | 112.8 | D824 V916 | D824-D826 VanDerWaalsContact C-N 3.26Å; D824-D826 PolarHBondContact O-N 2.97Å; D824-D826 PolarHBondContact OD1-N 3.44Å; D826-V916 HydrophobicContact CB-CG2 4.05Å |
| 827 | A | 89.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | -86.4 | 141.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F793 C820 R821 D824 E915 V916 | F793-A827 HydrophobicContact CE1-CB 4.25Å; F793-A827 HydrophobicContact CZ-CB 3.83Å; C820-A827 HydrophobicContact CB-CB 4.47Å; C820-A827 WeakPolarHBondContact O-CB 3.18Å; R821-A827 WeakPolarHBondContact CA-O 3.06Å; R821-A827 PolarHBondContact N-O 3.5Å; D824-A827 HydrophobicContact CB-CB 3.89Å; D824-A827 WeakPolarHBondContact O-CB 3.37Å; D824-A827 PolarHBondContact O-N 3.45Å; D824-A827 VanDerWaalsContact O-N 3.13Å; A827-E915 CarbonylContact C-O 3.33Å; A827-E915 VanDerWaalsContact CA-O 3.24Å; A827-E915 WeakPolarHBondContact CA-O 3.37Å; A827-V916 HydrophobicContact CB-CB 3.93Å; A827-V916 HydrophobicContact CB-CG2 4.21Å | ||
| 828 | H | 91.7 | Very high | 85.3 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | -177.3 | 176.1 | 53.7 | 76.7 | 0 | 0 | 0 | 110.5 | I866 N867 C914 E915 | H828-I866 HydrophobicContact CB-CD1 4.44Å; H828-I866 HydrophobicContact CB-CG2 3.89Å; H828-N867 PolarHBondContact CE1-ND2 3.08Å; H828-C914 CarbonylContact O-C 3.44Å; H828-C914 WeakPolarHBondContact O-CA 3.49Å; H828-E915 IonicContact CE1-OE2 3.37Å; H828-E915 PolarHBondContact CE1-OE2 3.14Å; H828-E915 PolarHBondContact N-O 2.68Å; H828-E915 PolarHBondContact O-N 3Å |
| 829 | L | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 150.8 | 170.7 | -73 | 167.9 | 0 | 0 | 0 | 111.2 | W813 A816 G855 I866 I913 | W813-L829 HydrophobicContact CD2-CD1 3.83Å; W813-L829 VanDerWaalsContact CE2-CD1 3.44Å; W813-L829 HydrophobicContact CG-CD1 4.06Å; W813-L829 HydrophobicContact CZ2-CD1 3.86Å; A816-L829 HydrophobicContact CB-CD1 4.27Å; A816-L829 HydrophobicContact CB-CD2 3.94Å; L829-G855 VanDerWaalsContact CB-CA 3.41Å; L829-I866 HydrophobicContact CB-CD1 4.24Å; L829-I866 HydrophobicContact CB-CG2 4.27Å; L829-I866 HydrophobicContact CD1-CD1 4.44Å; L829-I866 WeakPolarHBondContact O-CG2 3.24Å; L829-I913 CarbonylContact C-O 3.56Å; L829-I913 WeakPolarHBondContact CA-O 3.4Å; L829-I913 WeakPolarHBondContact CD2-O 3.48Å |
| 830 | A | 91.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -67.1 | 134.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F801 G855 W865 I913 E915 | F801-A830 HydrophobicContact CD1-CB 3.66Å; F801-A830 HydrophobicContact CE1-CB 3.79Å; A830-G855 WeakPolarHBondContact O-CA 3.41Å; A830-G855 PolarHBondContact O-N 2.64Å; A830-W865 WeakPolarHBondContact O-CZ3 3.46Å; A830-I913 HydrophobicContact CB-CB 3.74Å; A830-I913 HydrophobicContact CB-CG2 3.49Å; A830-I913 VanDerWaalsContact CB-CG2 3.49Å; A830-I913 WeakPolarHBondContact CB-O 3.26Å; A830-I913 PolarHBondContact N-O 3.33Å; A830-E915 HydrophobicContact CB-CB 4.35Å | ||
| 831 | T | 87.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | trans | -114.8 | 136.7 | 179.9 | 75.1 | 0 | 0 | 0 | 0 | 110.9 | W865 I866 N867 E915 | T831-W865 VanDerWaalsContact CA-CE3 3.44Å; T831-W865 HydrophobicContact CG2-CB 3.82Å; T831-W865 HydrophobicContact CG2-CD2 4.04Å; T831-W865 HydrophobicContact CG2-CE3 3.73Å; T831-W865 HydrophobicContact CG2-CG 4.1Å; T831-I866 HydrophobicContact CG2-CG2 3.96Å; T831-N867 HydrophobicContact CG2-CB 4.45Å; T831-N867 WeakPolarHBondContact CG2-ND2 3.41Å; T831-N867 PolarHBondContact OG1-ND2 2.97Å; T831-E915 WeakPolarHBondContact CA-OE2 3.28Å; T831-E915 VanDerWaalsContact CB-OE2 3.3Å; T831-E915 WeakPolarHBondContact CB-OE2 3.27Å; T831-E915 PolarHBondContact N-OE2 2.75Å; T831-E915 PolarHBondContact OG1-OE2 2.76Å | ||
| 832 | I | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -125.9 | 84.4 | -164.4 | -44.1 | 177.6 | 0 | 0 | 0 | 108.8 | Q837 Q838 L841 I854 W865 Y873 M891 W901 | I832-Q837 HydrophobicContact CG2-CB 3.93Å; I832-Q838 HydrophobicContact CG2-CB 4Å; I832-L841 HydrophobicContact CD1-CD1 3.56Å; I832-L841 HydrophobicContact CG1-CD1 3.72Å; I832-I854 HydrophobicContact CD1-CD1 4.01Å; I832-I854 HydrophobicContact CD1-CG2 4.22Å; I832-W865 HydrophobicContact CB-CH2 3.63Å; I832-W865 HydrophobicContact CB-CZ2 3.85Å; I832-W865 HydrophobicContact CD1-CH2 4.3Å; I832-W865 HydrophobicContact CG1-CH2 3.75Å; I832-W865 HydrophobicContact CG1-CZ2 4.45Å; I832-W865 HydrophobicContact CG1-CZ3 4.26Å; I832-W865 WeakPolarHBondContact O-CZ2 3.22Å; I832-Y873 HydrophobicContact CG2-CD1 4Å; I832-Y873 HydrophobicContact CG2-CE1 4.09Å; I832-M891 HydrophobicContact CD1-CE 3.39Å; I832-W901 HydrophobicContact CB-CH2 4.07Å; I832-W901 HydrophobicContact CB-CZ2 3.76Å; I832-W901 HydrophobicContact CD1-CZ2 3.65Å; I832-W901 HydrophobicContact CG1-CZ2 4.24Å; I832-W901 HydrophobicContact CG2-CH2 4.47Å; I832-W901 HydrophobicContact CG2-CZ2 3.89Å | ||
| 833 | S | 76.9 | Confident | 84.4 | Confident | 55 Ų | 55 | 25.5 Ų | 25.5 | 39% | 0.385 | 15% | 0.153 | S | C | . | . | trans | -84.1 | -10.4 | -178.1 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | Q837 V872 Y873 | S833-Q837 PolarHBondContact OG-OE1 2.95Å; S833-V872 WeakPolarHBondContact O-CG2 3.5Å; S833-Y873 WeakPolarHBondContact O-CB 3.37Å | ||
| 834 | S | 72.2 | Confident | 84.4 | Confident | 24 Ų | 24 | 22.9 Ų | 22.9 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -154.9 | 167 | 178.9 | 83.9 | 0 | 0 | 0 | 0 | 113.6 | E836 Q837 Q838 | S834-E836 VanDerWaalsContact C-N 3.28Å; S834-E836 WeakPolarHBondContact CB-OE2 3.39Å; S834-E836 PolarHBondContact O-N 3.14Å; S834-E836 PolarHBondContact OG-N 2.89Å; S834-E836 PolarHBondContact OG-OE2 2.88Å; S834-Q837 PolarHBondContact O-N 2.89Å; S834-Q838 PolarHBondContact O-N 2.83Å; S834-Q838 VanDerWaalsContact O-N 3.11Å |
| 835 | N | 76.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 20.6 Ų | 20.6 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.6 | -17.1 | 176.3 | 73.7 | -44.7 | 0 | 0 | 0 | 113.4 | Q838 D839 Y873 K1017 I1088 Y1089 | N835-Q838 PolarHBondContact O-N 2.99Å; N835-D839 VanDerWaalsContact O-CB 3.29Å; N835-D839 WeakPolarHBondContact O-CB 3.32Å; N835-D839 VanDerWaalsContact O-CG 3.27Å; N835-D839 PolarHBondContact O-N 2.64Å; N835-Y873 HydrophobicContact CB-CE2 3.76Å; N835-K1017 VanDerWaalsContact CG-NZ 3.33Å; N835-K1017 PolarHBondContact ND2-NZ 2.87Å; N835-K1017 PolarHBondContact OD1-NZ 3.34Å; N835-I1088 PolarHBondContact ND2-O 3.22Å; N835-Y1089 PolarHBondContact ND2-O 3.47Å |
| 836 | E | 72.6 | Confident | 84.4 | Confident | 34 Ų | 34 | 18 Ų | 18 | 16% | 0.159 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 166 | -66.3 | 62.3 | -127.1 | 0 | 0 | 111.4 | S797 S834 G840 K1017 | S797-E836 WeakPolarHBondContact OG-CB 3.16Å; S834-E836 VanDerWaalsContact C-N 3.28Å; S834-E836 WeakPolarHBondContact CB-OE2 3.39Å; S834-E836 PolarHBondContact O-N 3.14Å; S834-E836 PolarHBondContact OG-N 2.89Å; S834-E836 PolarHBondContact OG-OE2 2.88Å; E836-G840 PolarHBondContact O-N 2.96Å; E836-G840 VanDerWaalsContact O-N 3.15Å; E836-K1017 HydrophobicContact CG-CD 3.62Å; E836-K1017 VanDerWaalsContact OE1-CD 3.26Å; E836-K1017 WeakPolarHBondContact OE1-CD 3.37Å; E836-K1017 VanDerWaalsContact OE1-CE 3.26Å; E836-K1017 WeakPolarHBondContact OE1-CE 3.33Å; E836-K1017 IonicContact OE1-NZ 3.18Å; E836-K1017 PolarHBondContact OE1-NZ 3.38Å |
| 837 | Q | 82.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 178.1 | -66.8 | -179.2 | -42.7 | 0 | 0 | 109.8 | S799 F801 I832 S833 S834 L841 | S799-Q837 PolarHBondContact OG-NE2 2.73Å; F801-Q837 HydrophobicContact CE2-CG 4.25Å; F801-Q837 HydrophobicContact CZ-CB 4.39Å; F801-Q837 HydrophobicContact CZ-CG 4.22Å; I832-Q837 HydrophobicContact CG2-CB 3.93Å; S833-Q837 PolarHBondContact OG-OE1 2.95Å; S834-Q837 PolarHBondContact O-N 2.89Å; Q837-L841 WeakPolarHBondContact O-CB 3.2Å; Q837-L841 VanDerWaalsContact O-CG 3.26Å; Q837-L841 WeakPolarHBondContact O-CG 3.44Å; Q837-L841 PolarHBondContact O-N 2.04Å |
| 838 | Q | 86.5 | Confident | 83.2 | Confident | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.8 | -175.8 | 53.5 | 61.4 | 0 | 0 | 113.1 | I832 S834 N835 G840 L841 T842 Y873 N875 G899 | I832-Q838 HydrophobicContact CG2-CB 4Å; S834-Q838 PolarHBondContact O-N 2.83Å; S834-Q838 VanDerWaalsContact O-N 3.11Å; N835-Q838 PolarHBondContact O-N 2.99Å; Q838-G840 VanDerWaalsContact C-N 3.3Å; Q838-G840 PolarHBondContact O-N 2.99Å; Q838-L841 PolarHBondContact O-N 2.81Å; Q838-L841 VanDerWaalsContact O-N 3.14Å; Q838-T842 PolarHBondContact NE2-OG1 3.17Å; Q838-T842 PolarHBondContact O-N 3.15Å; Q838-T842 PolarHBondContact O-OG1 2.8Å; Q838-Y873 HydrophobicContact CB-CE1 3.72Å; Q838-Y873 HydrophobicContact CG-CE1 4.21Å; Q838-N875 HydrophobicContact CG-CB 4.04Å; Q838-G899 PolarHBondContact NE2-O 3.4Å |
| 839 | D | 83.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | -179.6 | -80.6 | -33.5 | 0 | 0 | 0 | 110.8 | N835 T842 V843 A1010 R1013 L1014 K1017 | N835-D839 VanDerWaalsContact O-CB 3.29Å; N835-D839 WeakPolarHBondContact O-CB 3.32Å; N835-D839 VanDerWaalsContact O-CG 3.27Å; N835-D839 PolarHBondContact O-N 2.64Å; D839-T842 PolarHBondContact O-N 3.44Å; D839-V843 WeakPolarHBondContact O-CG2 3.19Å; D839-V843 PolarHBondContact O-N 2.72Å; D839-V843 VanDerWaalsContact O-N 3.17Å; D839-A1010 HydrophobicContact CB-CB 4.13Å; D839-R1013 VanDerWaalsContact CG-NE 3.33Å; D839-R1013 IonicContact OD1-CZ 3.95Å; D839-R1013 IonicContact OD1-NE 2.63Å; D839-R1013 PolarHBondContact OD1-NE 3.31Å; D839-R1013 IonicContact OD1-NH2 2.79Å; D839-R1013 PolarHBondContact OD1-NH2 2.83Å; D839-R1013 WeakPolarHBondContact OD2-CB 3.35Å; D839-R1013 IonicContact OD2-NE 3.85Å; D839-R1013 PolarHBondContact OD2-NE 2.79Å; D839-R1013 VanDerWaalsContact OD2-NE 3.09Å; D839-L1014 HydrophobicContact CB-CB 4.48Å; D839-K1017 IonicContact OD2-NZ 3.15Å; D839-K1017 PolarHBondContact OD2-NZ 2.91Å |
| 840 | G | 84.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E836 Q838 V843 L844 M933 | E836-G840 PolarHBondContact O-N 2.96Å; E836-G840 VanDerWaalsContact O-N 3.15Å; Q838-G840 VanDerWaalsContact C-N 3.3Å; Q838-G840 PolarHBondContact O-N 2.99Å; G840-V843 PolarHBondContact O-N 2.99Å; G840-L844 WeakPolarHBondContact O-CG 3.45Å; G840-L844 PolarHBondContact O-N 3.47Å; G840-M933 WeakPolarHBondContact O-CE 3.25Å |
| 841 | L | 88.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -37.8 | 177.1 | -70.2 | 176.6 | 0 | 0 | 0 | 112.8 | F801 I832 Q837 Q838 V843 L844 M845 M891 I913 | F801-L841 HydrophobicContact CB-CD2 3.9Å; F801-L841 HydrophobicContact CD1-CD1 4.32Å; F801-L841 HydrophobicContact CD1-CD2 4.02Å; F801-L841 HydrophobicContact CE1-CD1 4.27Å; F801-L841 HydrophobicContact CG-CD2 3.92Å; I832-L841 HydrophobicContact CD1-CD1 3.56Å; I832-L841 HydrophobicContact CG1-CD1 3.72Å; Q837-L841 WeakPolarHBondContact O-CB 3.2Å; Q837-L841 VanDerWaalsContact O-CG 3.26Å; Q837-L841 WeakPolarHBondContact O-CG 3.44Å; Q837-L841 PolarHBondContact O-N 2.04Å; Q838-L841 PolarHBondContact O-N 2.81Å; Q838-L841 VanDerWaalsContact O-N 3.14Å; L841-V843 VanDerWaalsContact C-N 3.25Å; L841-V843 PolarHBondContact O-N 2.83Å; L841-L844 HydrophobicContact CD2-CD1 4.46Å; L841-L844 CarbonylContact O-C 3.58Å; L841-L844 PolarHBondContact O-N 3.32Å; L841-M845 WeakPolarHBondContact O-CG 3.41Å; L841-M845 PolarHBondContact O-N 2.82Å; L841-M891 HydrophobicContact CB-CE 3.75Å; L841-M891 HydrophobicContact CB-SD 3.91Å; L841-M891 HydrophobicContact CD1-CE 3.99Å; L841-I913 HydrophobicContact CD2-CD1 4.39Å; L841-I913 HydrophobicContact CD2-CG2 3.7Å |
| 842 | T | 87.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -40.6 | 171.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | Q838 D839 M845 I898 A1010 | Q838-T842 PolarHBondContact NE2-OG1 3.17Å; Q838-T842 PolarHBondContact O-N 3.15Å; Q838-T842 PolarHBondContact O-OG1 2.8Å; D839-T842 PolarHBondContact O-N 3.44Å; T842-M845 PolarHBondContact O-N 2.63Å; T842-I898 HydrophobicContact CG2-CG1 4.36Å; T842-I898 HydrophobicContact CG2-CG2 4.36Å; T842-A1010 HydrophobicContact CG2-CB 4.06Å |
| 843 | V | 85.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.4 | -32.2 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | D839 G840 L841 D846 M933 F946 V1007 A1010 F1011 | D839-V843 WeakPolarHBondContact O-CG2 3.19Å; D839-V843 PolarHBondContact O-N 2.72Å; D839-V843 VanDerWaalsContact O-N 3.17Å; G840-V843 PolarHBondContact O-N 2.99Å; L841-V843 VanDerWaalsContact C-N 3.25Å; L841-V843 PolarHBondContact O-N 2.83Å; V843-D846 WeakPolarHBondContact O-CB 3.47Å; V843-D846 PolarHBondContact O-N 3.28Å; V843-M933 HydrophobicContact CB-CE 3.65Å; V843-M933 HydrophobicContact CG1-CE 3.43Å; V843-M933 VanDerWaalsContact CG1-CE 3.43Å; V843-F946 HydrophobicContact CG1-CD2 4.16Å; V843-F946 HydrophobicContact CG1-CE2 3.66Å; V843-F946 HydrophobicContact CG1-CZ 4.22Å; V843-V1007 HydrophobicContact CG2-CG1 4.37Å; V843-A1010 HydrophobicContact CG2-CB 4.02Å; V843-F1011 HydrophobicContact CG1-CD2 4.27Å; V843-F1011 HydrophobicContact CG2-CB 3.74Å |
| 844 | L | 86 | Confident | 83.3 | Confident | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.12 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -80.6 | -18.3 | 175.8 | -64.3 | -178 | 0 | 0 | 0 | 114 | M794 V796 V803 G840 L841 Q848 M933 | M794-L844 HydrophobicContact CE-CD1 4.11Å; M794-L844 HydrophobicContact CE-CD2 3.41Å; M794-L844 VanDerWaalsContact CE-CD2 3.41Å; M794-L844 HydrophobicContact CE-CG 4.41Å; M794-L844 HydrophobicContact SD-CD2 4.26Å; V796-L844 HydrophobicContact CG2-CD1 4.49Å; V803-L844 HydrophobicContact CG2-CB 3.63Å; V803-L844 HydrophobicContact CG2-CD1 4.41Å; G840-L844 WeakPolarHBondContact O-CG 3.45Å; G840-L844 PolarHBondContact O-N 3.47Å; L841-L844 HydrophobicContact CD2-CD1 4.46Å; L841-L844 CarbonylContact O-C 3.58Å; L841-L844 PolarHBondContact O-N 3.32Å; L844-Q848 PolarHBondContact O-NE2 3.04Å; L844-M933 HydrophobicContact CD1-SD 4.28Å; L844-M933 HydrophobicContact CD2-CE 3.92Å; L844-M933 HydrophobicContact CD2-CG 4.16Å; L844-M933 HydrophobicContact CD2-SD 4.11Å; L844-M933 HydrophobicContact CG-CE 3.93Å; L844-M933 HydrophobicContact CG-SD 4.12Å |
| 845 | M | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.2 | 170 | -72.3 | -57.9 | -63.8 | 0 | 0 | 113.3 | V803 L841 T842 Q848 A852 M891 H893 I898 I913 | V803-M845 HydrophobicContact CG1-SD 4.02Å; L841-M845 WeakPolarHBondContact O-CG 3.41Å; L841-M845 PolarHBondContact O-N 2.82Å; T842-M845 PolarHBondContact O-N 2.63Å; M845-Q848 HydrophobicContact CE-CB 4.43Å; M845-Q848 HydrophobicContact CE-CG 4.49Å; M845-Q848 WeakPolarHBondContact O-CB 3.34Å; M845-Q848 VanDerWaalsContact O-CG 3.3Å; M845-Q848 WeakPolarHBondContact O-CG 3.45Å; M845-Q848 PolarHBondContact O-N 3.4Å; M845-Q848 HydrophobicContact SD-CG 4.35Å; M845-A852 HydrophobicContact CE-CB 3.95Å; M845-A852 HydrophobicContact SD-CB 3.91Å; M845-M891 HydrophobicContact CG-CG 4.08Å; M845-M891 HydrophobicContact CG-SD 3.6Å; M845-H893 HydrophobicContact CE-CB 3.62Å; M845-I898 HydrophobicContact CB-CD1 4.11Å; M845-I898 HydrophobicContact CB-CG1 4.07Å; M845-I913 HydrophobicContact SD-CD1 3.94Å |
| 846 | D | 78 | Confident | 84.8 | Confident | 25 Ų | 25 | 22.7 Ų | 22.7 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 143.2 | 174.7 | -169 | 26.6 | 0 | 0 | 0 | 112 | V843 Q848 N947 V1007 | V843-D846 WeakPolarHBondContact O-CB 3.47Å; V843-D846 PolarHBondContact O-N 3.28Å; D846-Q848 PolarHBondContact O-N 3.31Å; D846-N947 PolarHBondContact OD2-ND2 2.98Å; D846-N947 PolarHBondContact OD2-OD1 3.01Å; D846-V1007 HydrophobicContact CB-CG1 3.74Å |
| 847 | N | 69.3 | Low | 85.4 | Confident | 130 Ų | 130 | 24.3 Ų | 24.3 | 70% | 0.695 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 9.5 | -172.4 | -57.3 | -91 | 0 | 0 | 0 | 116 | ||
| 848 | Q | 79.6 | Confident | 85.3 | Confident | 45 Ų | 45 | 24 Ų | 24 | 21% | 0.21 | 12% | 0.116 | C | C | . | . | trans | -72 | 156.9 | 170.6 | -56.7 | -57.7 | -34.4 | 0 | 0 | 111 | V803 A805 L844 M845 D846 | V803-Q848 HydrophobicContact CG1-CG 3.97Å; A805-Q848 HydrophobicContact CB-CB 3.87Å; A805-Q848 HydrophobicContact CB-CG 3.97Å; L844-Q848 PolarHBondContact O-NE2 3.04Å; M845-Q848 HydrophobicContact CE-CB 4.43Å; M845-Q848 HydrophobicContact CE-CG 4.49Å; M845-Q848 WeakPolarHBondContact O-CB 3.34Å; M845-Q848 VanDerWaalsContact O-CG 3.3Å; M845-Q848 WeakPolarHBondContact O-CG 3.45Å; M845-Q848 PolarHBondContact O-N 3.4Å; M845-Q848 HydrophobicContact SD-CG 4.35Å; D846-Q848 PolarHBondContact O-N 3.31Å | ||
| 849 | Q | 75.8 | Confident | 84.5 | Confident | 114 Ų | 114 | 28.5 Ų | 28.5 | 53% | 0.533 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -101.1 | -11.6 | -176.6 | -67.3 | -178.7 | -4.2 | 0 | 0 | 113.8 | A805 H893 | A805-Q849 PolarHBondContact O-N 3.14Å; A805-Q849 VanDerWaalsContact O-N 3.13Å; Q849-H893 PolarHBondContact O-NE2 2.98Å |
| 850 | F | 82.3 | Confident | 83.4 | Confident | 67 Ų | 67 | 34.1 Ų | 34.1 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -143.6 | 151 | -176.2 | -74.7 | -97.5 | 0 | 0 | 0 | 109.9 | A805 K807 H893 | A805-F850 WeakPolarHBondContact CB-O 3.4Å; A805-F850 PolarHBondContact O-N 3.12Å; K807-F850 HydrophobicContact CB-CD2 4.39Å; K807-F850 HydrophobicContact CB-CE2 3.6Å; K807-F850 HydrophobicContact CB-CZ 4.28Å; K807-F850 HydrophobicContact CD-CE2 4.49Å; K807-F850 HydrophobicContact CG-CE2 3.81Å; K807-F850 HydrophobicContact CG-CZ 3.97Å; F850-H893 VanDerWaalsContact C-CG 3.46Å |
| 851 | S | 90.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | trans | -64 | 153.6 | 164 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | M891 H893 E894 F910 G911 | S851-M891 CarbonylContact C-O 3.52Å; S851-M891 VanDerWaalsContact CA-O 3.31Å; S851-M891 WeakPolarHBondContact CA-O 3.45Å; S851-M891 VanDerWaalsContact CB-O 3.3Å; S851-M891 WeakPolarHBondContact CB-O 3.29Å; S851-H893 PolarHBondContact N-ND1 3.25Å; S851-H893 VanDerWaalsContact N-ND1 3.12Å; S851-H893 PolarHBondContact OG-N 3.26Å; S851-H893 PolarHBondContact OG-ND1 3.1Å; S851-E894 PolarHBondContact OG-OE1 2.73Å; S851-E894 PolarHBondContact OG-OE2 2.69Å; S851-E894 VanDerWaalsContact OG-OE2 3.14Å; S851-F910 WeakPolarHBondContact O-CB 3.39Å; S851-G911 PolarHBondContact O-N 2.76Å | ||
| 852 | A | 91.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A805 M845 I854 I890 M891 G911 I913 | A805-A852 HydrophobicContact CB-CB 4.1Å; M845-A852 HydrophobicContact CE-CB 3.95Å; M845-A852 HydrophobicContact SD-CB 3.91Å; A852-I854 PolarHBondContact O-N 2.87Å; A852-I890 CarbonylContact O-C 3.56Å; A852-I890 VanDerWaalsContact O-CA 3.32Å; A852-I890 WeakPolarHBondContact O-CA 3.35Å; A852-M891 PolarHBondContact N-O 2.79Å; A852-M891 PolarHBondContact O-N 2.94Å; A852-G911 CarbonylContact C-O 3.41Å; A852-G911 WeakPolarHBondContact CA-O 3.18Å; A852-I913 HydrophobicContact CB-CD1 4.22Å; A852-I913 HydrophobicContact CB-CG1 3.79Å |
| 853 | W | 95.6 | Very high | 81 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 131 | 171.2 | -69.6 | 126.5 | 0 | 0 | 0 | 111.9 | V811 W813 C888 I890 E904 L905 K908 F910 G911 I913 | V811-W853 PolarHBondContact O-NE1 2.7Å; W813-W853 HydrophobicContact CB-CD2 4.06Å; W813-W853 HydrophobicContact CB-CG 4.34Å; W813-W853 HydrophobicContact CB-CZ2 4.35Å; W813-W853 AromaticContact CD1-CD2 3.85Å; W813-W853 AromaticContact CD1-CE3 3.83Å; W813-W853 AromaticContact CD1-CG 3.96Å; W813-W853 HydrophobicContact CG-CD2 4.39Å; W853-C888 HydrophobicContact CE3-CB 3.74Å; W853-C888 HydrophobicContact CH2-CB 3.99Å; W853-C888 HydrophobicContact CZ3-CB 3.38Å; W853-C888 WeakPolarHBondContact CZ3-O 3.31Å; W853-I890 HydrophobicContact CD2-CG2 4.01Å; W853-I890 HydrophobicContact CE3-CG2 3.42Å; W853-I890 VanDerWaalsContact CE3-CG2 3.42Å; W853-I890 HydrophobicContact CH2-CG2 4.28Å; W853-I890 HydrophobicContact CZ3-CG2 3.54Å; W853-E904 HydrophobicContact CH2-CB 3.81Å; W853-E904 HydrophobicContact CZ3-CB 3.9Å; W853-L905 VanDerWaalsContact CH2-O 3.31Å; W853-L905 WeakPolarHBondContact CH2-O 3.45Å; W853-K908 HydrophobicContact CZ2-CB 4.32Å; W853-K908 WeakPolarHBondContact CZ2-O 3.31Å; W853-F910 HydrophobicContact CD2-CB 4.3Å; W853-F910 HydrophobicContact CD2-CD2 4.4Å; W853-F910 AromaticContact CE2-CD2 3.85Å; W853-F910 HydrophobicContact CG-CB 4.29Å; W853-F910 AromaticContact CH2-CD2 3.88Å; W853-F910 HydrophobicContact CH2-CD2 3.88Å; W853-F910 HydrophobicContact CH2-CE2 4.24Å; W853-F910 AromaticContact CZ2-CD2 3.62Å; W853-F910 HydrophobicContact CZ2-CD2 3.62Å; W853-F910 HydrophobicContact CZ2-CE2 4.33Å; W853-F910 HydrophobicContact CZ3-CD2 4.38Å; W853-G911 WeakPolarHBondContact CB-O 3.33Å; W853-G911 VanDerWaalsContact CD1-O 3.29Å; W853-G911 PolarHBondContact N-O 3.43Å; W853-I913 PolarHBondContact O-N 2.95Å |
| 854 | I | 94.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 168.8 | 166.3 | 58.6 | 171.3 | 0 | 0 | 0 | 110.5 | W813 I832 A852 L856 W865 A889 M891 W901 I913 | W813-I854 PolarHBondContact NE1-O 3.05Å; I832-I854 HydrophobicContact CD1-CD1 4.01Å; I832-I854 HydrophobicContact CD1-CG2 4.22Å; A852-I854 PolarHBondContact O-N 2.87Å; I854-L856 HydrophobicContact CD1-CB 4.08Å; I854-L856 HydrophobicContact CG1-CB 4.15Å; I854-L856 PolarHBondContact O-N 3.15Å; I854-L856 VanDerWaalsContact O-N 3.14Å; I854-W865 HydrophobicContact CD1-CH2 4.12Å; I854-W865 HydrophobicContact CD1-CZ3 4.17Å; I854-A889 HydrophobicContact CD1-CB 3.97Å; I854-A889 HydrophobicContact CG1-CB 3.82Å; I854-A889 WeakPolarHBondContact CG1-O 3.3Å; I854-A889 PolarHBondContact N-O 3.33Å; I854-M891 HydrophobicContact CG2-CB 4.16Å; I854-M891 HydrophobicContact CG2-CE 4.23Å; I854-W901 HydrophobicContact CD1-CD2 3.95Å; I854-W901 HydrophobicContact CD1-CE3 4.34Å; I854-W901 HydrophobicContact CD1-CG 4.18Å; I854-I913 HydrophobicContact CG2-CD1 3.94Å; I854-I913 HydrophobicContact CG2-CG1 4.43Å |
| 855 | G | 90.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 6.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L829 A830 W865 I866 | L829-G855 VanDerWaalsContact CB-CA 3.41Å; A830-G855 WeakPolarHBondContact O-CA 3.41Å; A830-G855 PolarHBondContact O-N 2.64Å; G855-W865 CarbonylContact O-C 3.52Å; G855-I866 PolarHBondContact O-N 3.12Å |
| 856 | L | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116.9 | 173.1 | -162.2 | 65.6 | 0 | 0 | 0 | 109 | I854 H863 W865 V871 W876 A889 W901 | I854-L856 HydrophobicContact CD1-CB 4.08Å; I854-L856 HydrophobicContact CG1-CB 4.15Å; I854-L856 PolarHBondContact O-N 3.15Å; I854-L856 VanDerWaalsContact O-N 3.14Å; L856-H863 HydrophobicContact CD1-CB 3.88Å; L856-H863 HydrophobicContact CD2-CB 4.32Å; L856-H863 HydrophobicContact CG-CB 4.01Å; L856-W865 HydrophobicContact CB-CE3 3.78Å; L856-W865 HydrophobicContact CB-CH2 3.9Å; L856-W865 HydrophobicContact CB-CZ3 3.43Å; L856-W865 VanDerWaalsContact CB-CZ3 3.43Å; L856-W865 HydrophobicContact CD1-CD2 3.78Å; L856-W865 HydrophobicContact CD1-CE3 3.84Å; L856-W865 HydrophobicContact CD1-CG 4.39Å; L856-W865 HydrophobicContact CD1-CH2 4.11Å; L856-W865 HydrophobicContact CD1-CZ2 4.03Å; L856-W865 HydrophobicContact CD1-CZ3 4.04Å; L856-W865 HydrophobicContact CD2-CH2 4.39Å; L856-W865 HydrophobicContact CG-CE3 4.43Å; L856-W865 HydrophobicContact CG-CH2 4.37Å; L856-W865 HydrophobicContact CG-CZ3 4.26Å; L856-V871 HydrophobicContact CD1-CG1 4.05Å; L856-V871 HydrophobicContact CD1-CG2 3.65Å; L856-W876 HydrophobicContact CD2-CH2 3.6Å; L856-W876 HydrophobicContact CD2-CZ2 3.66Å; L856-A889 HydrophobicContact CB-CB 3.91Å; L856-A889 HydrophobicContact CD2-CB 4.18Å; L856-A889 HydrophobicContact CG-CB 4.44Å; L856-A889 PolarHBondContact O-N 2.72Å; L856-W901 HydrophobicContact CD2-CE3 3.88Å; L856-W901 HydrophobicContact CD2-CZ3 3.81Å |
| 857 | R | 85.7 | Confident | 80.5 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.4 | 177.1 | -179.7 | 173.8 | 62 | 126.1 | 21.6 | 109.3 | W813 E859 H863 T864 | W813-R857 HydrophobicContact CH2-CB 4.15Å; W813-R857 HydrophobicContact CH2-CG 4.46Å; W813-R857 HydrophobicContact CZ2-CB 3.75Å; W813-R857 HydrophobicContact CZ2-CG 4.39Å; R857-E859 HydrophobicContact CG-CG 4.43Å; R857-E859 IonicContact CZ-OE1 2.63Å; R857-E859 IonicContact CZ-OE2 3.7Å; R857-E859 VanDerWaalsContact NH1-CD 3.29Å; R857-E859 IonicContact NH1-OE1 2.63Å; R857-E859 PolarHBondContact NH1-OE1 2.81Å; R857-E859 IonicContact NH1-OE2 2.66Å; R857-E859 IonicContact NH2-OE1 3.8Å; R857-E859 PolarHBondContact NH2-OE1 2.89Å; R857-E859 IonicContact NH2-OE2 3.59Å; R857-E859 PolarHBondContact NH2-OE2 2.86Å; R857-H863 WeakPolarHBondContact O-CA 3.32Å; R857-T864 PolarHBondContact N-O 3.16Å; R857-T864 PolarHBondContact O-N 2.77Å; R857-T864 PolarHBondContact O-OG1 3.3Å |
| 858 | S | 80.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.4 | 168.8 | -141.7 | 0 | 0 | 0 | 0 | 108.4 | N861 I862 H863 A883 S886 S887 | S858-N861 WeakPolarHBondContact OG-CA 3.37Å; S858-N861 PolarHBondContact OG-O 3.1Å; S858-I862 WeakPolarHBondContact CA-O 3.3Å; S858-I862 PolarHBondContact OG-N 2.87Å; S858-H863 PolarHBondContact OG-CE1 3.07Å; S858-H863 VanDerWaalsContact OG-CE1 3.27Å; S858-H863 PolarHBondContact OG-ND1 2.89Å; S858-H863 PolarHBondContact OG-NE2 2.97Å; S858-A883 WeakPolarHBondContact OG-CB 3.17Å; S858-S886 WeakPolarHBondContact O-CA 3.42Å; S858-S887 WeakPolarHBondContact CA-O 3.29Å; S858-S887 VanDerWaalsContact CB-OG 3.3Å; S858-S887 WeakPolarHBondContact CB-OG 3.12Å; S858-S887 PolarHBondContact N-O 2.79Å; S858-S887 PolarHBondContact O-N 2.68Å; S858-S887 VanDerWaalsContact O-N 3.15Å; S858-S887 VanDerWaalsContact O-O 3.1Å |
| 859 | E | 70 | Confident | 80.5 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.3 | 160.8 | -76.1 | -172.4 | 144.8 | 0 | 0 | 107.1 | R857 N861 I862 | R857-E859 HydrophobicContact CG-CG 4.43Å; R857-E859 IonicContact CZ-OE1 2.63Å; R857-E859 IonicContact CZ-OE2 3.7Å; R857-E859 VanDerWaalsContact NH1-CD 3.29Å; R857-E859 IonicContact NH1-OE1 2.63Å; R857-E859 PolarHBondContact NH1-OE1 2.81Å; R857-E859 IonicContact NH1-OE2 2.66Å; R857-E859 IonicContact NH2-OE1 3.8Å; R857-E859 PolarHBondContact NH2-OE1 2.89Å; R857-E859 IonicContact NH2-OE2 3.59Å; R857-E859 PolarHBondContact NH2-OE2 2.86Å; E859-N861 VanDerWaalsContact C-N 3.32Å; E859-N861 PolarHBondContact O-N 3.15Å; E859-I862 PolarHBondContact N-O 3.24Å; E859-I862 VanDerWaalsContact N-O 3.11Å; E859-I862 WeakPolarHBondContact O-CB 3.24Å; E859-I862 PolarHBondContact O-N 2.97Å |
| 860 | Q | 60.1 | Low | 80 | Confident | 123 Ų | 123 | 44.4 Ų | 44.4 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 47 | -175 | -57.6 | -176.8 | -10.2 | 0 | 0 | 112.6 | H749 I862 G885 | H749-Q860 PolarHBondContact CE1-O 2.88Å; Q860-I862 PolarHBondContact O-N 3.09Å; Q860-G885 PolarHBondContact N-O 3.48Å |
| 861 | N | 64.9 | Low | 79.6 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 3.4 | -176.6 | -52.8 | -5.5 | 0 | 0 | 0 | 115.5 | T725 S858 E859 A883 N884 G885 | T725-N861 PolarHBondContact N-O 2.64Å; T725-N861 WeakPolarHBondContact O-CB 3.34Å; T725-N861 PolarHBondContact OG1-O 2.85Å; S858-N861 WeakPolarHBondContact OG-CA 3.37Å; S858-N861 PolarHBondContact OG-O 3.1Å; E859-N861 VanDerWaalsContact C-N 3.32Å; E859-N861 PolarHBondContact O-N 3.15Å; N861-A883 PolarHBondContact OD1-O 2.85Å; N861-N884 VanDerWaalsContact OD1-CA 3.28Å; N861-N884 WeakPolarHBondContact OD1-CA 3.42Å; N861-G885 PolarHBondContact N-O 3.03Å; N861-G885 PolarHBondContact OD1-N 3.41Å |
| 862 | I | 65.5 | Low | 78.5 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 105.8 | 173.5 | -55.1 | 173.8 | 0 | 0 | 0 | 108.1 | E680 F726 L748 S858 E859 Q860 T864 | E680-I862 HydrophobicContact CB-CD1 4.17Å; E680-I862 HydrophobicContact CG-CD1 3.97Å; E680-I862 WeakPolarHBondContact OE2-CD1 3.3Å; F726-I862 HydrophobicContact CD1-CG1 4.49Å; F726-I862 HydrophobicContact CE1-CD1 3.89Å; F726-I862 HydrophobicContact CE1-CG1 3.73Å; F726-I862 HydrophobicContact CZ-CG1 4.33Å; L748-I862 HydrophobicContact CD1-CD1 4.17Å; S858-I862 WeakPolarHBondContact CA-O 3.3Å; S858-I862 PolarHBondContact OG-N 2.87Å; E859-I862 PolarHBondContact N-O 3.24Å; E859-I862 VanDerWaalsContact N-O 3.11Å; E859-I862 WeakPolarHBondContact O-CB 3.24Å; E859-I862 PolarHBondContact O-N 2.97Å; Q860-I862 PolarHBondContact O-N 3.09Å; I862-T864 HydrophobicContact CG2-CG2 4.13Å; I862-T864 PolarHBondContact O-N 3.13Å |
| 863 | H | 79.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 119.8 | 173.9 | -60 | 78.7 | 0 | 0 | 0 | 110.2 | P723 L856 R857 S858 V871 W876 N903 | P723-H863 WeakPolarHBondContact O-CB 3.14Å; L856-H863 HydrophobicContact CD1-CB 3.88Å; L856-H863 HydrophobicContact CD2-CB 4.32Å; L856-H863 HydrophobicContact CG-CB 4.01Å; R857-H863 WeakPolarHBondContact O-CA 3.32Å; S858-H863 PolarHBondContact OG-CE1 3.07Å; S858-H863 VanDerWaalsContact OG-CE1 3.27Å; S858-H863 PolarHBondContact OG-ND1 2.89Å; S858-H863 PolarHBondContact OG-NE2 2.97Å; H863-V871 WeakPolarHBondContact O-CG2 3.22Å; H863-W876 AromaticContact CD2-CH2 3.71Å; H863-W876 AromaticContact CD2-CZ2 3.86Å; H863-W876 AromaticContact NE2-CH2 3.72Å; H863-W876 AromaticContact NE2-CZ2 3.95Å; H863-N903 PolarHBondContact NE2-OD1 2.8Å |
| 864 | T | 77 | Confident | 76.8 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.7 | 175.9 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | R857 I862 | R857-T864 PolarHBondContact N-O 3.16Å; R857-T864 PolarHBondContact O-N 2.77Å; R857-T864 PolarHBondContact O-OG1 3.3Å; I862-T864 HydrophobicContact CG2-CG2 4.13Å; I862-T864 PolarHBondContact O-N 3.13Å |
| 865 | W | 84.9 | Confident | 76.3 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 138.2 | 166.4 | -70.9 | 125.7 | 0 | 0 | 0 | 109.6 | A830 T831 I832 I854 G855 L856 N867 Q868 V871 W901 | A830-W865 WeakPolarHBondContact O-CZ3 3.46Å; T831-W865 VanDerWaalsContact CA-CE3 3.44Å; T831-W865 HydrophobicContact CG2-CB 3.82Å; T831-W865 HydrophobicContact CG2-CD2 4.04Å; T831-W865 HydrophobicContact CG2-CE3 3.73Å; T831-W865 HydrophobicContact CG2-CG 4.1Å; I832-W865 HydrophobicContact CB-CH2 3.63Å; I832-W865 HydrophobicContact CB-CZ2 3.85Å; I832-W865 HydrophobicContact CD1-CH2 4.3Å; I832-W865 HydrophobicContact CG1-CH2 3.75Å; I832-W865 HydrophobicContact CG1-CZ2 4.45Å; I832-W865 HydrophobicContact CG1-CZ3 4.26Å; I832-W865 WeakPolarHBondContact O-CZ2 3.22Å; I854-W865 HydrophobicContact CD1-CH2 4.12Å; I854-W865 HydrophobicContact CD1-CZ3 4.17Å; G855-W865 CarbonylContact O-C 3.52Å; L856-W865 HydrophobicContact CB-CE3 3.78Å; L856-W865 HydrophobicContact CB-CH2 3.9Å; L856-W865 HydrophobicContact CB-CZ3 3.43Å; L856-W865 VanDerWaalsContact CB-CZ3 3.43Å; L856-W865 HydrophobicContact CD1-CD2 3.78Å; L856-W865 HydrophobicContact CD1-CE3 3.84Å; L856-W865 HydrophobicContact CD1-CG 4.39Å; L856-W865 HydrophobicContact CD1-CH2 4.11Å; L856-W865 HydrophobicContact CD1-CZ2 4.03Å; L856-W865 HydrophobicContact CD1-CZ3 4.04Å; L856-W865 HydrophobicContact CD2-CH2 4.39Å; L856-W865 HydrophobicContact CG-CE3 4.43Å; L856-W865 HydrophobicContact CG-CH2 4.37Å; L856-W865 HydrophobicContact CG-CZ3 4.26Å; W865-N867 WeakPolarHBondContact CB-OD1 3.46Å; W865-N867 PolarHBondContact O-N 2.75Å; W865-Q868 WeakPolarHBondContact O-CA 3.42Å; W865-Q868 PolarHBondContact O-N 3.32Å; W865-V871 HydrophobicContact CG-CG2 4.18Å; W865-V871 HydrophobicContact CZ2-CG1 4.46Å; W865-W901 AromaticContact CH2-CH2 3.85Å; W865-W901 HydrophobicContact CH2-CH2 3.85Å; W865-W901 HydrophobicContact CH2-CZ2 4.4Å; W865-W901 HydrophobicContact CH2-CZ3 4.18Å; W865-W901 AromaticContact CZ2-CH2 3.88Å; W865-W901 HydrophobicContact CZ2-CH2 3.88Å; W865-W901 HydrophobicContact CZ2-CZ3 4.26Å |
| 866 | I | 85.7 | Confident | 75.7 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.7 | -178.6 | -168.3 | 172.1 | 0 | 0 | 0 | 114.1 | W813 S817 H828 L829 T831 G855 Q868 | W813-I866 HydrophobicContact CH2-CB 4.5Å; W813-I866 HydrophobicContact CH2-CD1 3.65Å; W813-I866 HydrophobicContact CH2-CG1 4.08Å; W813-I866 HydrophobicContact CZ2-CB 4.43Å; W813-I866 HydrophobicContact CZ2-CD1 3.96Å; W813-I866 HydrophobicContact CZ2-CG1 4.43Å; W813-I866 HydrophobicContact CZ3-CD1 4.48Å; S817-I866 WeakPolarHBondContact OG-CD1 3.34Å; H828-I866 HydrophobicContact CB-CD1 4.44Å; H828-I866 HydrophobicContact CB-CG2 3.89Å; L829-I866 HydrophobicContact CB-CD1 4.24Å; L829-I866 HydrophobicContact CB-CG2 4.27Å; L829-I866 HydrophobicContact CD1-CD1 4.44Å; L829-I866 WeakPolarHBondContact O-CG2 3.24Å; T831-I866 HydrophobicContact CG2-CG2 3.96Å; G855-I866 PolarHBondContact O-N 3.12Å; I866-Q868 VanDerWaalsContact C-N 3.35Å |
| 867 | N | 76.9 | Confident | 75 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 13.2 | 175.3 | 67.1 | 4.2 | 0 | 0 | 0 | 113.9 | H828 T831 W865 H869 | H828-N867 PolarHBondContact CE1-ND2 3.08Å; T831-N867 HydrophobicContact CG2-CB 4.45Å; T831-N867 WeakPolarHBondContact CG2-ND2 3.41Å; T831-N867 PolarHBondContact OG1-ND2 2.97Å; W865-N867 WeakPolarHBondContact CB-OD1 3.46Å; W865-N867 PolarHBondContact O-N 2.75Å; N867-H869 VanDerWaalsContact C-N 3.27Å; N867-H869 PolarHBondContact O-N 3.33Å; N867-H869 PolarHBondContact O-ND1 2.9Å; N867-H869 WeakPolarHBondContact OD1-CB 3.35Å; N867-H869 PolarHBondContact OD1-N 3.25Å; N867-H869 PolarHBondContact OD1-ND1 3.07Å |
| 868 | Q | 75.6 | Confident | 73.7 | Confident | 185 Ų | 185 | 55.9 Ų | 55.9 | 86% | 0.864 | 28% | 0.275 | S | S | * | . | trans | 60.5 | 26.5 | 177.5 | -57.1 | 177.7 | -19.1 | 0 | 0 | 114.8 | W865 I866 | W865-Q868 WeakPolarHBondContact O-CA 3.42Å; W865-Q868 PolarHBondContact O-N 3.32Å; I866-Q868 VanDerWaalsContact C-N 3.35Å | ||
| 869 | H | 73.5 | Confident | 72.6 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | trans | -88.6 | 152 | 171.2 | -68.2 | 49 | 0 | 0 | 0 | 111.4 | N867 | N867-H869 VanDerWaalsContact C-N 3.27Å; N867-H869 PolarHBondContact O-N 3.33Å; N867-H869 PolarHBondContact O-ND1 2.9Å; N867-H869 WeakPolarHBondContact OD1-CB 3.35Å; N867-H869 PolarHBondContact OD1-N 3.25Å; N867-H869 PolarHBondContact OD1-ND1 3.07Å | ||
| 870 | D | 65.4 | Low | 72.7 | Confident | 121 Ų | 121 | 55.5 Ų | 55.5 | 65% | 0.647 | 28% | 0.278 | S | S | * | . | trans | -61 | 139.7 | 176.5 | -63.7 | -30.4 | 0 | 0 | 0 | 112 | V872 | D870-V872 HydrophobicContact CB-CG1 3.85Å; D870-V872 PolarHBondContact O-N 3.01Å | ||
| 871 | V | 74.3 | Confident | 72.8 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | trans | -81.3 | 70.4 | 178 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | A721 P723 L856 H863 W865 Y873 T874 | A721-V871 VanDerWaalsContact CB-O 3.22Å; A721-V871 WeakPolarHBondContact CB-O 3.43Å; P723-V871 HydrophobicContact CB-CB 3.72Å; P723-V871 HydrophobicContact CB-CG1 4.36Å; P723-V871 WeakPolarHBondContact CB-O 3.37Å; L856-V871 HydrophobicContact CD1-CG1 4.05Å; L856-V871 HydrophobicContact CD1-CG2 3.65Å; H863-V871 WeakPolarHBondContact O-CG2 3.22Å; W865-V871 HydrophobicContact CG-CG2 4.18Å; W865-V871 HydrophobicContact CZ2-CG1 4.46Å; V871-Y873 VanDerWaalsContact C-N 3.28Å; V871-Y873 PolarHBondContact O-N 2.83Å; V871-T874 HydrophobicContact CG1-CG2 3.96Å | ||
| 872 | V | 67.8 | Low | 72.8 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 38% | 0.376 | 27% | 0.265 | S | S | . | . | trans | -79.1 | -0.8 | -175.2 | -65.9 | 0 | 0 | 0 | 0 | 115.3 | S833 D870 | S833-V872 WeakPolarHBondContact O-CG2 3.5Å; D870-V872 HydrophobicContact CB-CG1 3.85Å; D870-V872 PolarHBondContact O-N 3.01Å | ||
| 873 | Y | 75 | Confident | 72.4 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | trans | -147.5 | 146.4 | 177.2 | 172.2 | -98.4 | 0 | 0 | 0 | 110.8 | I832 S833 N835 Q838 V871 N875 W901 | I832-Y873 HydrophobicContact CG2-CD1 4Å; I832-Y873 HydrophobicContact CG2-CE1 4.09Å; S833-Y873 WeakPolarHBondContact O-CB 3.37Å; N835-Y873 HydrophobicContact CB-CE2 3.76Å; Q838-Y873 HydrophobicContact CB-CE1 3.72Å; Q838-Y873 HydrophobicContact CG-CE1 4.21Å; V871-Y873 VanDerWaalsContact C-N 3.28Å; V871-Y873 PolarHBondContact O-N 2.83Å; Y873-N875 HydrophobicContact CE1-CB 3.99Å; Y873-W901 HydrophobicContact CD1-CH2 4.07Å; Y873-W901 HydrophobicContact CD1-CZ2 4.21Å; Y873-W901 HydrophobicContact CE1-CH2 4.29Å; Y873-W901 HydrophobicContact CE1-CZ2 4.03Å | ||
| 874 | T | 77.9 | Confident | 71.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | trans | -143.2 | 134.7 | 175.9 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | A721 V722 V871 W901 | A721-T874 HydrophobicContact CB-CG2 4.17Å; V722-T874 PolarHBondContact N-OG1 2.78Å; V871-T874 HydrophobicContact CG1-CG2 3.96Å; T874-W901 HydrophobicContact CG2-CZ3 4.13Å | ||
| 875 | N | 83.1 | Confident | 70.3 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | trans | -117.7 | 50.3 | 176.7 | -165 | 46.3 | 0 | 0 | 0 | 112.8 | Q838 Y873 G899 T900 W901 | Q838-N875 HydrophobicContact CG-CB 4.04Å; Y873-N875 HydrophobicContact CE1-CB 3.99Å; N875-G899 PolarHBondContact ND2-O 3.25Å; N875-T900 CarbonylContact O-C 3.43Å; N875-T900 WeakPolarHBondContact O-CA 3.45Å; N875-W901 HydrophobicContact CB-CD2 4.18Å; N875-W901 HydrophobicContact CB-CG 4.45Å; N875-W901 HydrophobicContact CB-CZ2 3.91Å; N875-W901 PolarHBondContact O-N 2.73Å | ||
| 876 | W | 77.8 | Confident | 69.5 | Low | 22 Ų | 22 | 57.9 Ų | 57.9 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 141 | -177.9 | -63.2 | 118.2 | 0 | 0 | 0 | 113 | L856 H863 E880 P881 A889 W901 N903 | L856-W876 HydrophobicContact CD2-CH2 3.6Å; L856-W876 HydrophobicContact CD2-CZ2 3.66Å; H863-W876 AromaticContact CD2-CH2 3.71Å; H863-W876 AromaticContact CD2-CZ2 3.86Å; H863-W876 AromaticContact NE2-CH2 3.72Å; H863-W876 AromaticContact NE2-CZ2 3.95Å; W876-E880 HydrophobicContact CB-CB 3.98Å; W876-E880 HydrophobicContact CD2-CB 4.43Å; W876-E880 HydrophobicContact CE3-CB 3.99Å; W876-E880 HydrophobicContact CG-CB 4.47Å; W876-P881 HydrophobicContact CD2-CB 3.83Å; W876-P881 HydrophobicContact CD2-CG 4.19Å; W876-P881 HydrophobicContact CE3-CB 4.03Å; W876-P881 HydrophobicContact CG-CB 4.47Å; W876-P881 HydrophobicContact CG-CG 4.42Å; W876-P881 HydrophobicContact CH2-CB 3.97Å; W876-P881 HydrophobicContact CZ2-CB 3.73Å; W876-P881 HydrophobicContact CZ2-CG 4.19Å; W876-P881 HydrophobicContact CZ3-CB 4.11Å; W876-A889 HydrophobicContact CH2-CB 4.24Å; W876-A889 HydrophobicContact CZ3-CB 4.26Å; W876-W901 HydrophobicContact CD2-CB 4.38Å; W876-W901 HydrophobicContact CD2-CE3 4.28Å; W876-W901 HydrophobicContact CE3-CB 3.59Å; W876-W901 HydrophobicContact CE3-CE3 4.36Å; W876-W901 HydrophobicContact CH2-CE3 4.36Å; W876-W901 HydrophobicContact CZ2-CE3 4.29Å; W876-W901 HydrophobicContact CZ3-CB 3.81Å; W876-W901 HydrophobicContact CZ3-CE3 4.39Å; W876-N903 WeakPolarHBondContact CZ3-ND2 3.42Å |
| 877 | R | 74.1 | Confident | 69.3 | Low | 87 Ų | 87 | 56 Ų | 56 | 33% | 0.328 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 162.1 | 169.6 | -162 | 172.7 | -170.6 | -166.5 | 0.5 | 110.3 | T879 E880 H892 S897 T900 W901 | R877-T879 PolarHBondContact O-N 3.41Å; R877-E880 HydrophobicContact CB-CG 4.27Å; R877-E880 WeakPolarHBondContact O-CB 3.49Å; R877-E880 PolarHBondContact O-N 3.43Å; R877-H892 PolarHBondContact NH1-CE1 2.84Å; R877-H892 PolarHBondContact NH1-NE2 3.27Å; R877-H892 VanDerWaalsContact NH1-NE2 3.17Å; R877-S897 VanDerWaalsContact NE-CB 3.34Å; R877-S897 PolarHBondContact NE-OG 2.88Å; R877-S897 PolarHBondContact NH2-OG 3.1Å; R877-T900 WeakPolarHBondContact CG-OG1 3.2Å; R877-W901 WeakPolarHBondContact CB-O 3.4Å; R877-W901 PolarHBondContact N-O 2.74Å |
| 878 | L | 60.2 | Low | 69.9 | Low | 95 Ų | 95 | 54.5 Ų | 54.5 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 133.5 | 168.5 | -70.6 | 165.1 | 0 | 0 | 0 | 110.3 | D711 H712 E880 | D711-L878 HydrophobicContact CB-CD2 4.14Å; H712-L878 VanDerWaalsContact NE2-CD2 3.33Å; H712-L878 WeakPolarHBondContact NE2-CD2 3.36Å; L878-E880 VanDerWaalsContact C-N 3.31Å; L878-E880 PolarHBondContact O-N 3.33Å |
| 879 | T | 57 | Low | 70.6 | Confident | 69 Ų | 69 | 45.7 Ų | 45.7 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 5.5 | -176.4 | 69.4 | 0 | 0 | 0 | 0 | 117.9 | D711 N733 R877 | D711-T879 HydrophobicContact CB-CG2 4.19Å; D711-T879 PolarHBondContact O-N 3.26Å; N733-T879 WeakPolarHBondContact ND2-CA 3.36Å; N733-T879 PolarHBondContact ND2-O 3.28Å; R877-T879 PolarHBondContact O-N 3.41Å |
| 880 | E | 70.5 | Confident | 71.5 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -101.1 | 158.2 | 172.3 | -70.8 | -79.9 | 176.5 | 0 | 0 | 111.8 | W876 R877 L878 N882 S902 N903 | W876-E880 HydrophobicContact CB-CB 3.98Å; W876-E880 HydrophobicContact CD2-CB 4.43Å; W876-E880 HydrophobicContact CE3-CB 3.99Å; W876-E880 HydrophobicContact CG-CB 4.47Å; R877-E880 HydrophobicContact CB-CG 4.27Å; R877-E880 WeakPolarHBondContact O-CB 3.49Å; R877-E880 PolarHBondContact O-N 3.43Å; L878-E880 VanDerWaalsContact C-N 3.31Å; L878-E880 PolarHBondContact O-N 3.33Å; E880-N882 PolarHBondContact OE1-ND2 3.48Å; E880-N882 PolarHBondContact OE2-N 2.79Å; E880-N882 PolarHBondContact OE2-ND2 3.03Å; E880-N882 PolarHBondContact OE2-OD1 3.33Å; E880-S902 VanDerWaalsContact CD-CA 3.49Å; E880-S902 VanDerWaalsContact OE1-CB 3.24Å; E880-S902 WeakPolarHBondContact OE1-CB 3.36Å; E880-N903 PolarHBondContact OE1-N 2.75Å; E880-N903 PolarHBondContact OE2-N 3.01Å; E880-N903 VanDerWaalsContact OE2-N 3.07Å; E880-N903 PolarHBondContact OE2-ND2 3.47Å | ||
| 881 | P | 63.4 | Low | 72.8 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | cis | -86.1 | 135.1 | 1.9 | 31.9 | -32.2 | 0 | 0 | 0 | 115 | T725 W876 N903 | T725-P881 HydrophobicContact CG2-CG 4Å; W876-P881 HydrophobicContact CD2-CB 3.83Å; W876-P881 HydrophobicContact CD2-CG 4.19Å; W876-P881 HydrophobicContact CE3-CB 4.03Å; W876-P881 HydrophobicContact CG-CB 4.47Å; W876-P881 HydrophobicContact CG-CG 4.42Å; W876-P881 HydrophobicContact CH2-CB 3.97Å; W876-P881 HydrophobicContact CZ2-CB 3.73Å; W876-P881 HydrophobicContact CZ2-CG 4.19Å; W876-P881 HydrophobicContact CZ3-CB 4.11Å; P881-N903 WeakPolarHBondContact CA-ND2 3.24Å; P881-N903 WeakPolarHBondContact CB-ND2 3.06Å | ||
| 882 | N | 63.7 | Low | 73.5 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | trans | -110 | 31.1 | 177.2 | 63.1 | 35.2 | 0 | 0 | 0 | 114.4 | Q732 E880 N884 | Q732-N882 VanDerWaalsContact NE2-C 3.3Å; Q732-N882 PolarHBondContact NE2-O 2.78Å; E880-N882 PolarHBondContact OE1-ND2 3.48Å; E880-N882 PolarHBondContact OE2-N 2.79Å; E880-N882 PolarHBondContact OE2-ND2 3.03Å; E880-N882 PolarHBondContact OE2-OD1 3.33Å; N882-N884 PolarHBondContact O-N 2.96Å | ||
| 883 | A | 58.1 | Low | 74.4 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | trans | -53.5 | 135.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q732 S858 N861 S887 | Q732-A883 PolarHBondContact NE2-O 2.71Å; S858-A883 WeakPolarHBondContact OG-CB 3.17Å; N861-A883 PolarHBondContact OD1-O 2.85Å; A883-S887 VanDerWaalsContact CB-OG 3.3Å; A883-S887 WeakPolarHBondContact CB-OG 3.41Å | ||
| 884 | N | 53.3 | Low | 74.5 | Confident | 79 Ų | 79 | 36.3 Ų | 36.3 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | trans | -142.4 | 98.9 | 173.7 | -108.7 | -21.3 | 0 | 0 | 0 | 108.6 | Q732 N861 N882 | Q732-N884 PolarHBondContact NE2-ND2 3.01Å; Q732-N884 VanDerWaalsContact NE2-ND2 3.12Å; N861-N884 VanDerWaalsContact OD1-CA 3.28Å; N861-N884 WeakPolarHBondContact OD1-CA 3.42Å; N882-N884 PolarHBondContact O-N 2.96Å | ||
| 885 | G | 59.4 | Low | 74 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 87.8 | -127.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | Q860 N861 | Q860-G885 PolarHBondContact N-O 3.48Å; N861-G885 PolarHBondContact N-O 3.03Å; N861-G885 PolarHBondContact OD1-N 3.41Å |
| 886 | S | 67.8 | Low | 73.1 | Confident | 85 Ų | 85 | 43.5 Ų | 43.5 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -99.8 | 89.6 | -179.9 | 61 | 0 | 0 | 0 | 0 | 111.4 | S858 | S858-S886 WeakPolarHBondContact O-CA 3.42Š|
| 887 | S | 81.5 | Confident | 72.7 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 161.4 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | S858 A883 N903 E904 | S858-S887 WeakPolarHBondContact CA-O 3.29Å; S858-S887 VanDerWaalsContact CB-OG 3.3Å; S858-S887 WeakPolarHBondContact CB-OG 3.12Å; S858-S887 PolarHBondContact N-O 2.79Å; S858-S887 PolarHBondContact O-N 2.68Å; S858-S887 VanDerWaalsContact O-N 3.15Å; S858-S887 VanDerWaalsContact O-O 3.1Å; A883-S887 VanDerWaalsContact CB-OG 3.3Å; A883-S887 WeakPolarHBondContact CB-OG 3.41Å; S887-N903 PolarHBondContact OG-OD1 3.37Å; S887-E904 WeakPolarHBondContact CA-O 3.47Å |
| 888 | C | 88.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.1 | 178.8 | -69.7 | 0 | 0 | 0 | 0 | 108.4 | W813 W853 E904 C906 | W813-C888 HydrophobicContact CB-CB 4.21Å; W813-C888 VanDerWaalsContact CD1-SG 3.54Å; W813-C888 VanDerWaalsContact CD2-SG 3.57Å; W813-C888 HydrophobicContact CG-CB 3.85Å; W853-C888 HydrophobicContact CE3-CB 3.74Å; W853-C888 HydrophobicContact CH2-CB 3.99Å; W853-C888 HydrophobicContact CZ3-CB 3.38Å; W853-C888 WeakPolarHBondContact CZ3-O 3.31Å; C888-E904 PolarHBondContact N-O 3.21Å; C888-E904 PolarHBondContact O-N 3.08Å; C888-E904 VanDerWaalsContact O-O 3.12Å; C888-C906 HydrophobicContact CB-CB 3.98Å; C888-C906 WeakPolarHBondContact CB-SG 3.36Å; C888-C906 PolarHBondContact N-SG 2.83Å; C888-C906 WeakPolarHBondContact SG-CB 3.03Å; C888-C906 CovalentContact SG-SG 2.04Å; C888-C906 PolarHBondContact SG-SG 3.49Å |
| 889 | A | 90.9 | Very high | 74.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | I854 L856 W876 S902 | I854-A889 HydrophobicContact CD1-CB 3.97Å; I854-A889 HydrophobicContact CG1-CB 3.82Å; I854-A889 WeakPolarHBondContact CG1-O 3.3Å; I854-A889 PolarHBondContact N-O 3.33Å; L856-A889 HydrophobicContact CB-CB 3.91Å; L856-A889 HydrophobicContact CD2-CB 4.18Å; L856-A889 HydrophobicContact CG-CB 4.44Å; L856-A889 PolarHBondContact O-N 2.72Å; W876-A889 HydrophobicContact CH2-CB 4.24Å; W876-A889 HydrophobicContact CZ3-CB 4.26Å; A889-S902 WeakPolarHBondContact CA-O 3.45Å |
| 890 | I | 92.3 | Very high | 75.7 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.9 | 164.6 | 56.4 | 166.2 | 0 | 0 | 0 | 110.6 | A852 W853 W901 S902 E904 F910 | A852-I890 CarbonylContact O-C 3.56Å; A852-I890 VanDerWaalsContact O-CA 3.32Å; A852-I890 WeakPolarHBondContact O-CA 3.35Å; W853-I890 HydrophobicContact CD2-CG2 4.01Å; W853-I890 HydrophobicContact CE3-CG2 3.42Å; W853-I890 VanDerWaalsContact CE3-CG2 3.42Å; W853-I890 HydrophobicContact CH2-CG2 4.28Å; W853-I890 HydrophobicContact CZ3-CG2 3.54Å; I890-W901 VanDerWaalsContact O-CA 3.26Å; I890-W901 WeakPolarHBondContact O-CA 3.45Å; I890-S902 WeakPolarHBondContact CD1-OG 3.36Å; I890-S902 VanDerWaalsContact CG1-OG 3.23Å; I890-S902 WeakPolarHBondContact CG1-OG 3.21Å; I890-S902 PolarHBondContact N-O 2.95Å; I890-S902 PolarHBondContact O-N 3.08Å; I890-S902 VanDerWaalsContact O-N 3.14Å; I890-E904 HydrophobicContact CD1-CG 3.92Å; I890-E904 HydrophobicContact CG1-CG 4.14Å; I890-E904 HydrophobicContact CG2-CB 4.45Å; I890-F910 HydrophobicContact CD1-CD1 4.43Å; I890-F910 HydrophobicContact CD1-CE1 3.87Å; I890-F910 HydrophobicContact CD1-CE2 4.42Å; I890-F910 HydrophobicContact CD1-CZ 3.86Å; I890-F910 HydrophobicContact CG2-CB 4.18Å; I890-F910 HydrophobicContact CG2-CD1 4.19Å; I890-F910 HydrophobicContact CG2-CD2 3.63Å; I890-F910 HydrophobicContact CG2-CE1 4.49Å; I890-F910 HydrophobicContact CG2-CE2 3.95Å; I890-F910 HydrophobicContact CG2-CG 3.75Å; I890-F910 HydrophobicContact CG2-CZ 4.37Å |
| 891 | M | 93 | Very high | 76.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.5 | 162.1 | -173.2 | 175.8 | -62.3 | 0 | 0 | 109.2 | I832 L841 M845 S851 A852 I854 I913 | I832-M891 HydrophobicContact CD1-CE 3.39Å; L841-M891 HydrophobicContact CB-CE 3.75Å; L841-M891 HydrophobicContact CB-SD 3.91Å; L841-M891 HydrophobicContact CD1-CE 3.99Å; M845-M891 HydrophobicContact CG-CG 4.08Å; M845-M891 HydrophobicContact CG-SD 3.6Å; S851-M891 CarbonylContact C-O 3.52Å; S851-M891 VanDerWaalsContact CA-O 3.31Å; S851-M891 WeakPolarHBondContact CA-O 3.45Å; S851-M891 VanDerWaalsContact CB-O 3.3Å; S851-M891 WeakPolarHBondContact CB-O 3.29Å; A852-M891 PolarHBondContact N-O 2.79Å; A852-M891 PolarHBondContact O-N 2.94Å; I854-M891 HydrophobicContact CG2-CB 4.16Å; I854-M891 HydrophobicContact CG2-CE 4.23Å; M891-I913 HydrophobicContact CB-CD1 4.42Å; M891-I913 HydrophobicContact CE-CD1 4.35Å; M891-I913 HydrophobicContact SD-CD1 4.14Å |
| 892 | H | 89.4 | Confident | 77.7 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -70 | 148.5 | 179.5 | -85.1 | -72.5 | 0 | 0 | 0 | 113.1 | R877 E894 S897 G899 T900 S902 | R877-H892 PolarHBondContact NH1-CE1 2.84Å; R877-H892 PolarHBondContact NH1-NE2 3.27Å; R877-H892 VanDerWaalsContact NH1-NE2 3.17Å; H892-E894 WeakPolarHBondContact CB-OE2 3.48Å; H892-E894 IonicContact CE1-OE1 3.63Å; H892-E894 IonicContact CE1-OE2 3.64Å; H892-E894 IonicContact CG-OE2 2.71Å; H892-E894 IonicContact ND1-OE1 3.69Å; H892-E894 PolarHBondContact ND1-OE1 2.74Å; H892-E894 IonicContact ND1-OE2 2.67Å; H892-E894 PolarHBondContact ND1-OE2 2.7Å; H892-S897 VanDerWaalsContact CB-O 3.31Å; H892-S897 WeakPolarHBondContact CB-O 3.41Å; H892-G899 PolarHBondContact O-N 2.95Å; H892-T900 WeakPolarHBondContact CB-O 3.5Å; H892-T900 PolarHBondContact N-O 3.49Å; H892-S902 PolarHBondContact CD2-OG 2.9Å; H892-S902 PolarHBondContact NE2-OG 3.44Å |
| 893 | H | 85 | Confident | 78.6 | Confident | 48 Ų | 48 | 30.6 Ų | 30.6 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | trans | -113.9 | -15.3 | 178.9 | 79.5 | -65.1 | 0 | 0 | 0 | 112.8 | M845 Q849 F850 S851 L895 | M845-H893 HydrophobicContact CE-CB 3.62Å; Q849-H893 PolarHBondContact O-NE2 2.98Å; F850-H893 VanDerWaalsContact C-CG 3.46Å; S851-H893 PolarHBondContact N-ND1 3.25Å; S851-H893 VanDerWaalsContact N-ND1 3.12Å; S851-H893 PolarHBondContact OG-N 3.26Å; S851-H893 PolarHBondContact OG-ND1 3.1Å; H893-L895 PolarHBondContact O-N 2.87Å | ||
| 894 | E | 77.6 | Confident | 80 | Confident | 72 Ų | 72 | 32.6 Ų | 32.6 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -70.3 | 125.8 | -177.5 | -56.2 | 87.5 | 155.2 | 0 | 0 | 109.3 | S851 H892 D896 S897 I898 | S851-E894 PolarHBondContact OG-OE1 2.73Å; S851-E894 PolarHBondContact OG-OE2 2.69Å; S851-E894 VanDerWaalsContact OG-OE2 3.14Å; H892-E894 WeakPolarHBondContact CB-OE2 3.48Å; H892-E894 IonicContact CE1-OE1 3.63Å; H892-E894 IonicContact CE1-OE2 3.64Å; H892-E894 IonicContact CG-OE2 2.71Å; H892-E894 IonicContact ND1-OE1 3.69Å; H892-E894 PolarHBondContact ND1-OE1 2.74Å; H892-E894 IonicContact ND1-OE2 2.67Å; H892-E894 PolarHBondContact ND1-OE2 2.7Å; E894-D896 VanDerWaalsContact C-N 3.25Å; E894-D896 PolarHBondContact O-N 2.99Å; E894-S897 CarbonylContact O-C 3.52Å; E894-S897 WeakPolarHBondContact O-CA 3.43Å; E894-S897 PolarHBondContact O-N 3.4Å; E894-I898 WeakPolarHBondContact O-CA 3.22Å; E894-I898 PolarHBondContact O-N 2.99Å |
| 895 | L | 66.6 | Low | 81.5 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 42% | 0.419 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -53.5 | -35.8 | -167.1 | -68.8 | 165.6 | 0 | 0 | 0 | 114.7 | H893 S897 L1055 | H893-L895 PolarHBondContact O-N 2.87Å; L895-S897 PolarHBondContact O-N 3.18Å; L895-L1055 HydrophobicContact CB-CD1 4.14Å; L895-L1055 HydrophobicContact CB-CD2 4.11Å; L895-L1055 HydrophobicContact CD1-CD1 3.98Å; L895-L1055 HydrophobicContact CD1-CD2 4.47Å; L895-L1055 HydrophobicContact CD2-CD1 4.19Å; L895-L1055 HydrophobicContact CG-CD1 4.33Å |
| 896 | D | 64.1 | Low | 82.8 | Confident | 139 Ų | 139 | 33.2 Ų | 33.2 | 74% | 0.743 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -70.7 | -6 | 177.6 | -54.9 | -16.7 | 0 | 0 | 0 | 114 | E894 | E894-D896 VanDerWaalsContact C-N 3.25Å; E894-D896 PolarHBondContact O-N 2.99Å |
| 897 | S | 71.3 | Confident | 83.6 | Confident | 21 Ų | 21 | 35 Ų | 35 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -151.5 | 15.2 | -176.4 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | R877 H892 E894 L895 G899 T900 | R877-S897 VanDerWaalsContact NE-CB 3.34Å; R877-S897 PolarHBondContact NE-OG 2.88Å; R877-S897 PolarHBondContact NH2-OG 3.1Å; H892-S897 VanDerWaalsContact CB-O 3.31Å; H892-S897 WeakPolarHBondContact CB-O 3.41Å; E894-S897 CarbonylContact O-C 3.52Å; E894-S897 WeakPolarHBondContact O-CA 3.43Å; E894-S897 PolarHBondContact O-N 3.4Å; L895-S897 PolarHBondContact O-N 3.18Å; S897-G899 PolarHBondContact O-N 3.3Å; S897-T900 WeakPolarHBondContact O-CB 3.1Å; S897-T900 WeakPolarHBondContact O-CG2 3.35Å; S897-T900 PolarHBondContact O-N 2.86Å; S897-T900 VanDerWaalsContact O-N 3.08Å; S897-T900 PolarHBondContact O-OG1 2.95Å |
| 898 | I | 81.5 | Confident | 83.9 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.2 | -172.4 | -174.4 | 158.8 | 0 | 0 | 0 | 111.6 | T842 M845 E894 T900 P1006 V1007 | T842-I898 HydrophobicContact CG2-CG1 4.36Å; T842-I898 HydrophobicContact CG2-CG2 4.36Å; M845-I898 HydrophobicContact CB-CD1 4.11Å; M845-I898 HydrophobicContact CB-CG1 4.07Å; E894-I898 WeakPolarHBondContact O-CA 3.22Å; E894-I898 PolarHBondContact O-N 2.99Å; I898-T900 PolarHBondContact O-N 2.65Å; I898-P1006 HydrophobicContact CG2-CB 4.1Å; I898-V1007 HydrophobicContact CD1-CG2 3.7Å; I898-V1007 HydrophobicContact CG1-CG2 4.31Å; I898-V1007 HydrophobicContact CG2-CG2 3.7Å |
| 899 | G | 86.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -16.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q838 N875 H892 S897 W901 | Q838-G899 PolarHBondContact NE2-O 3.4Å; N875-G899 PolarHBondContact ND2-O 3.25Å; H892-G899 PolarHBondContact O-N 2.95Å; S897-G899 PolarHBondContact O-N 3.3Å; G899-W901 VanDerWaalsContact O-CD1 3.32Å |
| 900 | T | 84.8 | Confident | 83.8 | Confident | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | trans | -73.1 | 152.3 | 175.6 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | N875 R877 H892 S897 I898 | N875-T900 CarbonylContact O-C 3.43Å; N875-T900 WeakPolarHBondContact O-CA 3.45Å; R877-T900 WeakPolarHBondContact CG-OG1 3.2Å; H892-T900 WeakPolarHBondContact CB-O 3.5Å; H892-T900 PolarHBondContact N-O 3.49Å; S897-T900 WeakPolarHBondContact O-CB 3.1Å; S897-T900 WeakPolarHBondContact O-CG2 3.35Å; S897-T900 PolarHBondContact O-N 2.86Å; S897-T900 VanDerWaalsContact O-N 3.08Å; S897-T900 PolarHBondContact O-OG1 2.95Å; I898-T900 PolarHBondContact O-N 2.65Å | ||
| 901 | W | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 145.6 | -176 | -49.4 | -12.3 | 0 | 0 | 0 | 112.6 | I832 I854 L856 W865 Y873 T874 N875 W876 R877 I890 G899 | I832-W901 HydrophobicContact CB-CH2 4.07Å; I832-W901 HydrophobicContact CB-CZ2 3.76Å; I832-W901 HydrophobicContact CD1-CZ2 3.65Å; I832-W901 HydrophobicContact CG1-CZ2 4.24Å; I832-W901 HydrophobicContact CG2-CH2 4.47Å; I832-W901 HydrophobicContact CG2-CZ2 3.89Å; I854-W901 HydrophobicContact CD1-CD2 3.95Å; I854-W901 HydrophobicContact CD1-CE3 4.34Å; I854-W901 HydrophobicContact CD1-CG 4.18Å; L856-W901 HydrophobicContact CD2-CE3 3.88Å; L856-W901 HydrophobicContact CD2-CZ3 3.81Å; W865-W901 AromaticContact CH2-CH2 3.85Å; W865-W901 HydrophobicContact CH2-CH2 3.85Å; W865-W901 HydrophobicContact CH2-CZ2 4.4Å; W865-W901 HydrophobicContact CH2-CZ3 4.18Å; W865-W901 AromaticContact CZ2-CH2 3.88Å; W865-W901 HydrophobicContact CZ2-CH2 3.88Å; W865-W901 HydrophobicContact CZ2-CZ3 4.26Å; Y873-W901 HydrophobicContact CD1-CH2 4.07Å; Y873-W901 HydrophobicContact CD1-CZ2 4.21Å; Y873-W901 HydrophobicContact CE1-CH2 4.29Å; Y873-W901 HydrophobicContact CE1-CZ2 4.03Å; T874-W901 HydrophobicContact CG2-CZ3 4.13Å; N875-W901 HydrophobicContact CB-CD2 4.18Å; N875-W901 HydrophobicContact CB-CG 4.45Å; N875-W901 HydrophobicContact CB-CZ2 3.91Å; N875-W901 PolarHBondContact O-N 2.73Å; W876-W901 HydrophobicContact CD2-CB 4.38Å; W876-W901 HydrophobicContact CD2-CE3 4.28Å; W876-W901 HydrophobicContact CE3-CB 3.59Å; W876-W901 HydrophobicContact CE3-CE3 4.36Å; W876-W901 HydrophobicContact CH2-CE3 4.36Å; W876-W901 HydrophobicContact CZ2-CE3 4.29Å; W876-W901 HydrophobicContact CZ3-CB 3.81Å; W876-W901 HydrophobicContact CZ3-CE3 4.39Å; R877-W901 WeakPolarHBondContact CB-O 3.4Å; R877-W901 PolarHBondContact N-O 2.74Å; I890-W901 VanDerWaalsContact O-CA 3.26Å; I890-W901 WeakPolarHBondContact O-CA 3.45Å; G899-W901 VanDerWaalsContact O-CD1 3.32Å |
| 902 | S | 86.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.5 | 168.6 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | E880 A889 I890 H892 | E880-S902 VanDerWaalsContact CD-CA 3.49Å; E880-S902 VanDerWaalsContact OE1-CB 3.24Å; E880-S902 WeakPolarHBondContact OE1-CB 3.36Å; A889-S902 WeakPolarHBondContact CA-O 3.45Å; I890-S902 WeakPolarHBondContact CD1-OG 3.36Å; I890-S902 VanDerWaalsContact CG1-OG 3.23Å; I890-S902 WeakPolarHBondContact CG1-OG 3.21Å; I890-S902 PolarHBondContact N-O 2.95Å; I890-S902 PolarHBondContact O-N 3.08Å; I890-S902 VanDerWaalsContact O-N 3.14Å; H892-S902 PolarHBondContact CD2-OG 2.9Å; H892-S902 PolarHBondContact NE2-OG 3.44Å |
| 903 | N | 83.2 | Confident | 84.1 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.1 | 177.1 | -71.7 | -94.5 | 0 | 0 | 0 | 110.2 | H863 W876 E880 P881 S887 | H863-N903 PolarHBondContact NE2-OD1 2.8Å; W876-N903 WeakPolarHBondContact CZ3-ND2 3.42Å; E880-N903 PolarHBondContact OE1-N 2.75Å; E880-N903 PolarHBondContact OE2-N 3.01Å; E880-N903 VanDerWaalsContact OE2-N 3.07Å; E880-N903 PolarHBondContact OE2-ND2 3.47Å; P881-N903 WeakPolarHBondContact CA-ND2 3.24Å; P881-N903 WeakPolarHBondContact CB-ND2 3.06Å; S887-N903 PolarHBondContact OG-OD1 3.37Å |
| 904 | E | 86.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.9 | 178.7 | -87.4 | -73.5 | -140.6 | 0 | 0 | 112.3 | W853 S887 C888 I890 C906 K908 F910 | W853-E904 HydrophobicContact CH2-CB 3.81Å; W853-E904 HydrophobicContact CZ3-CB 3.9Å; S887-E904 WeakPolarHBondContact CA-O 3.47Å; C888-E904 PolarHBondContact N-O 3.21Å; C888-E904 PolarHBondContact O-N 3.08Å; C888-E904 VanDerWaalsContact O-O 3.12Å; I890-E904 HydrophobicContact CD1-CG 3.92Å; I890-E904 HydrophobicContact CG1-CG 4.14Å; I890-E904 HydrophobicContact CG2-CB 4.45Å; E904-C906 PolarHBondContact O-N 3.07Å; E904-K908 VanDerWaalsContact CD-CD 3.46Å; E904-K908 HydrophobicContact CG-CD 4.48Å; E904-K908 WeakPolarHBondContact OE1-CD 3.39Å; E904-K908 IonicContact OE1-NZ 3.49Å; E904-K908 PolarHBondContact OE1-NZ 2.99Å; E904-K908 WeakPolarHBondContact OE2-CD 3.31Å; E904-K908 WeakPolarHBondContact OE2-CE 3.43Å; E904-K908 IonicContact OE2-NZ 3.77Å; E904-K908 PolarHBondContact OE2-NZ 2.96Å; E904-F910 HydrophobicContact CB-CE2 3.99Å; E904-F910 HydrophobicContact CG-CE2 3.82Å; E904-F910 HydrophobicContact CG-CZ 3.95Å |
| 905 | L | 84.1 | Confident | 85.2 | Confident | 100 Ų | 100 | 41.6 Ų | 41.6 | 52% | 0.524 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121.2 | 175.3 | -62.8 | 175.5 | 0 | 0 | 0 | 109.6 | W853 N907 K908 | W853-L905 VanDerWaalsContact CH2-O 3.31Å; W853-L905 WeakPolarHBondContact CH2-O 3.45Å; L905-N907 VanDerWaalsContact CB-OD1 3.31Å; L905-N907 WeakPolarHBondContact CB-OD1 3.44Å; L905-N907 PolarHBondContact O-N 3.18Å; L905-K908 HydrophobicContact CB-CG 4.47Å; L905-K908 WeakPolarHBondContact O-CB 3.39Å; L905-K908 PolarHBondContact O-N 2.81Å |
| 906 | C | 87.2 | Confident | 86.2 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -13.3 | -174 | -60.1 | 0 | 0 | 0 | 0 | 115.6 | W813 C888 E904 | W813-C906 HydrophobicContact CB-CB 4.16Å; W813-C906 PolarHBondContact N-O 2.98Å; C888-C906 HydrophobicContact CB-CB 3.98Å; C888-C906 WeakPolarHBondContact CB-SG 3.36Å; C888-C906 PolarHBondContact N-SG 2.83Å; C888-C906 WeakPolarHBondContact SG-CB 3.03Å; C888-C906 CovalentContact SG-SG 2.04Å; C888-C906 PolarHBondContact SG-SG 3.49Å; E904-C906 PolarHBondContact O-N 3.07Å |
| 907 | N | 84.8 | Confident | 87 | Confident | 121 Ų | 121 | 37.8 Ų | 37.8 | 65% | 0.647 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.1 | 177.4 | 67.3 | -8.5 | 0 | 0 | 0 | 114.5 | L905 | L905-N907 VanDerWaalsContact CB-OD1 3.31Å; L905-N907 WeakPolarHBondContact CB-OD1 3.44Å; L905-N907 PolarHBondContact O-N 3.18Å |
| 908 | K | 87.6 | Confident | 87.3 | Confident | 87 Ų | 87 | 37.9 Ų | 37.9 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -64.9 | 160.2 | 169.1 | -81.8 | 178 | 169.7 | 177.1 | 0 | 110.4 | D812 W853 E904 L905 F910 | D812-K908 WeakPolarHBondContact CA-O 3.34Å; W853-K908 HydrophobicContact CZ2-CB 4.32Å; W853-K908 WeakPolarHBondContact CZ2-O 3.31Å; E904-K908 VanDerWaalsContact CD-CD 3.46Å; E904-K908 HydrophobicContact CG-CD 4.48Å; E904-K908 WeakPolarHBondContact OE1-CD 3.39Å; E904-K908 IonicContact OE1-NZ 3.49Å; E904-K908 PolarHBondContact OE1-NZ 2.99Å; E904-K908 WeakPolarHBondContact OE2-CD 3.31Å; E904-K908 WeakPolarHBondContact OE2-CE 3.43Å; E904-K908 IonicContact OE2-NZ 3.77Å; E904-K908 PolarHBondContact OE2-NZ 2.96Å; L905-K908 HydrophobicContact CB-CG 4.47Å; L905-K908 WeakPolarHBondContact O-CB 3.39Å; L905-K908 PolarHBondContact O-N 2.81Å; K908-F910 HydrophobicContact CB-CD2 3.98Å; K908-F910 HydrophobicContact CB-CE2 3.62Å; K908-F910 HydrophobicContact CD-CE2 3.98Å; K908-F910 HydrophobicContact CD-CZ 4.41Å; K908-F910 HydrophobicContact CG-CE2 4.44Å |
| 909 | K | 88.1 | Confident | 87 | Confident | 143 Ų | 143 | 41.3 Ų | 41.3 | 62% | 0.622 | 21% | 0.21 | S | C | * | . | trans | -105.8 | 115.5 | -179.4 | -66.6 | -168.3 | 174.8 | -167.2 | 0 | 111.2 | A810 V811 | A810-K909 HydrophobicContact CB-CB 4.38Å; V811-K909 WeakPolarHBondContact O-CA 3.37Å | ||
| 910 | F | 90.8 | Very high | 85.9 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 169 | 179.2 | -73.2 | -74.2 | 0 | 0 | 0 | 109.3 | A810 V811 S851 W853 I890 E904 K908 | A810-F910 CarbonylContact C-O 3.52Å; A810-F910 VanDerWaalsContact CA-O 3.28Å; A810-F910 WeakPolarHBondContact CA-O 3.29Å; V811-F910 PolarHBondContact N-O 2.95Å; V811-F910 PolarHBondContact O-N 3.19Å; V811-F910 VanDerWaalsContact O-N 3.11Å; S851-F910 WeakPolarHBondContact O-CB 3.39Å; W853-F910 HydrophobicContact CD2-CB 4.3Å; W853-F910 HydrophobicContact CD2-CD2 4.4Å; W853-F910 AromaticContact CE2-CD2 3.85Å; W853-F910 HydrophobicContact CG-CB 4.29Å; W853-F910 AromaticContact CH2-CD2 3.88Å; W853-F910 HydrophobicContact CH2-CD2 3.88Å; W853-F910 HydrophobicContact CH2-CE2 4.24Å; W853-F910 AromaticContact CZ2-CD2 3.62Å; W853-F910 HydrophobicContact CZ2-CD2 3.62Å; W853-F910 HydrophobicContact CZ2-CE2 4.33Å; W853-F910 HydrophobicContact CZ3-CD2 4.38Å; I890-F910 HydrophobicContact CD1-CD1 4.43Å; I890-F910 HydrophobicContact CD1-CE1 3.87Å; I890-F910 HydrophobicContact CD1-CE2 4.42Å; I890-F910 HydrophobicContact CD1-CZ 3.86Å; I890-F910 HydrophobicContact CG2-CB 4.18Å; I890-F910 HydrophobicContact CG2-CD1 4.19Å; I890-F910 HydrophobicContact CG2-CD2 3.63Å; I890-F910 HydrophobicContact CG2-CE1 4.49Å; I890-F910 HydrophobicContact CG2-CE2 3.95Å; I890-F910 HydrophobicContact CG2-CG 3.75Å; I890-F910 HydrophobicContact CG2-CZ 4.37Å; E904-F910 HydrophobicContact CB-CE2 3.99Å; E904-F910 HydrophobicContact CG-CE2 3.82Å; E904-F910 HydrophobicContact CG-CZ 3.95Å; K908-F910 HydrophobicContact CB-CD2 3.98Å; K908-F910 HydrophobicContact CB-CE2 3.62Å; K908-F910 HydrophobicContact CD-CE2 3.98Å; K908-F910 HydrophobicContact CD-CZ 4.41Å; K908-F910 HydrophobicContact CG-CE2 4.44Å |
| 911 | G | 91.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -175.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K804 S851 A852 W853 | K804-G911 CarbonylContact O-C 3.52Å; K804-G911 WeakPolarHBondContact O-CA 3.47Å; S851-G911 PolarHBondContact O-N 2.76Å; A852-G911 CarbonylContact C-O 3.41Å; A852-G911 WeakPolarHBondContact CA-O 3.18Å; W853-G911 WeakPolarHBondContact CB-O 3.33Å; W853-G911 VanDerWaalsContact CD1-O 3.29Å; W853-G911 PolarHBondContact N-O 3.43Å |
| 912 | Y | 93.9 | Very high | 83.3 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.5 | 174.5 | 57.2 | -81.8 | 0 | 0 | 0 | 112.5 | K804 D809 V811 A816 L819 L823 | K804-Y912 HydrophobicContact CB-CD1 3.98Å; K804-Y912 HydrophobicContact CB-CD2 4.03Å; K804-Y912 HydrophobicContact CB-CE1 3.68Å; K804-Y912 HydrophobicContact CB-CE2 3.74Å; K804-Y912 HydrophobicContact CB-CG 4.13Å; K804-Y912 HydrophobicContact CG-CD2 4.39Å; K804-Y912 HydrophobicContact CG-CE1 4.39Å; K804-Y912 HydrophobicContact CG-CE2 3.76Å; K804-Y912 PolarHBondContact N-O 2.84Å; K804-Y912 PolarHBondContact O-N 3.09Å; D809-Y912 HydrophobicContact CB-CE1 4.17Å; D809-Y912 WeakPolarHBondContact O-CE1 3.42Å; V811-Y912 HydrophobicContact CG2-CD1 3.78Å; V811-Y912 HydrophobicContact CG2-CE1 4.03Å; A816-Y912 HydrophobicContact CB-CD1 4.19Å; A816-Y912 HydrophobicContact CB-CD2 4.41Å; A816-Y912 HydrophobicContact CB-CG 3.84Å; L819-Y912 HydrophobicContact CB-CE2 4.09Å; L819-Y912 HydrophobicContact CD1-CE1 4.07Å; L823-Y912 HydrophobicContact CD1-CE2 4.26Å |
| 913 | I | 94 | Very high | 81.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.2 | 174.3 | -48 | -179.8 | 0 | 0 | 0 | 107.5 | F801 M802 V803 L829 A830 L841 M845 A852 W853 I854 M891 | F801-I913 HydrophobicContact CD1-CG2 4.49Å; M802-I913 CarbonylContact O-C 3.56Å; M802-I913 WeakPolarHBondContact O-CA 3.38Å; V803-I913 HydrophobicContact CG1-CG1 4.47Å; V803-I913 HydrophobicContact CG2-CD1 4.32Å; V803-I913 HydrophobicContact CG2-CG1 4.12Å; V803-I913 HydrophobicContact CG2-CG2 4.07Å; L829-I913 CarbonylContact C-O 3.56Å; L829-I913 WeakPolarHBondContact CA-O 3.4Å; L829-I913 WeakPolarHBondContact CD2-O 3.48Å; A830-I913 HydrophobicContact CB-CB 3.74Å; A830-I913 HydrophobicContact CB-CG2 3.49Å; A830-I913 VanDerWaalsContact CB-CG2 3.49Å; A830-I913 WeakPolarHBondContact CB-O 3.26Å; A830-I913 PolarHBondContact N-O 3.33Å; L841-I913 HydrophobicContact CD2-CD1 4.39Å; L841-I913 HydrophobicContact CD2-CG2 3.7Å; M845-I913 HydrophobicContact SD-CD1 3.94Å; A852-I913 HydrophobicContact CB-CD1 4.22Å; A852-I913 HydrophobicContact CB-CG1 3.79Å; W853-I913 PolarHBondContact O-N 2.95Å; I854-I913 HydrophobicContact CG2-CD1 3.94Å; I854-I913 HydrophobicContact CG2-CG1 4.43Å; M891-I913 HydrophobicContact CB-CD1 4.42Å; M891-I913 HydrophobicContact CE-CD1 4.35Å; M891-I913 HydrophobicContact SD-CD1 4.14Å |
| 914 | C | 93.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 154.8 | 173.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | F793 F801 M802 C820 H828 | F793-C914 HydrophobicContact CE1-CB 3.71Å; F793-C914 HydrophobicContact CZ-CB 4.2Å; F801-C914 CarbonylContact C-O 3.28Å; F801-C914 WeakPolarHBondContact CA-O 3.34Å; M802-C914 PolarHBondContact N-O 2.86Å; M802-C914 PolarHBondContact O-N 3.26Å; C820-C914 WeakPolarHBondContact CA-SG 3.48Å; C820-C914 HydrophobicContact CB-CB 3.77Å; C820-C914 WeakPolarHBondContact CB-SG 3.43Å; C820-C914 WeakPolarHBondContact SG-CA 3.37Å; C820-C914 WeakPolarHBondContact SG-CB 3.23Å; C820-C914 CovalentContact SG-SG 2.04Å; C820-C914 PolarHBondContact SG-SG 2.89Å; H828-C914 CarbonylContact O-C 3.44Å; H828-C914 WeakPolarHBondContact O-CA 3.49Å |
| 915 | E | 92.1 | Very high | 77.9 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.6 | 168.8 | 178.6 | -171.7 | 168.3 | 0 | 0 | 110.1 | C800 F801 A827 H828 A830 T831 | C800-E915 CarbonylContact O-C 3.59Å; C800-E915 WeakPolarHBondContact O-CA 3.17Å; F801-E915 HydrophobicContact CD1-CB 3.73Å; F801-E915 HydrophobicContact CD1-CG 4.04Å; F801-E915 HydrophobicContact CE1-CB 3.69Å; F801-E915 HydrophobicContact CE1-CG 3.67Å; F801-E915 HydrophobicContact CZ-CG 4.08Å; A827-E915 CarbonylContact C-O 3.33Å; A827-E915 VanDerWaalsContact CA-O 3.24Å; A827-E915 WeakPolarHBondContact CA-O 3.37Å; H828-E915 IonicContact CE1-OE2 3.37Å; H828-E915 PolarHBondContact CE1-OE2 3.14Å; H828-E915 PolarHBondContact N-O 2.68Å; H828-E915 PolarHBondContact O-N 3Å; A830-E915 HydrophobicContact CB-CB 4.35Å; T831-E915 WeakPolarHBondContact CA-OE2 3.28Å; T831-E915 VanDerWaalsContact CB-OE2 3.3Å; T831-E915 WeakPolarHBondContact CB-OE2 3.27Å; T831-E915 PolarHBondContact N-OE2 2.75Å; T831-E915 PolarHBondContact OG1-OE2 2.76Å |
| 916 | V | 88.5 | Confident | 75.6 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 155.9 | 171.4 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | P790 F793 C800 D824 D826 A827 | P790-V916 HydrophobicContact CG-CG1 3.76Å; P790-V916 HydrophobicContact CG-CG2 4.3Å; F793-V916 HydrophobicContact CB-CG1 4.34Å; F793-V916 HydrophobicContact CD1-CB 4.41Å; F793-V916 HydrophobicContact CD1-CG1 3.57Å; F793-V916 HydrophobicContact CD2-CG1 4.23Å; F793-V916 HydrophobicContact CE1-CB 4.12Å; F793-V916 HydrophobicContact CE1-CG1 3.74Å; F793-V916 HydrophobicContact CE2-CG1 4.37Å; F793-V916 HydrophobicContact CG-CG1 3.83Å; F793-V916 HydrophobicContact CZ-CB 4.45Å; F793-V916 HydrophobicContact CZ-CG1 4.14Å; C800-V916 HydrophobicContact CB-CG1 3.59Å; C800-V916 VanDerWaalsContact CB-O 3.28Å; C800-V916 WeakPolarHBondContact CB-O 3.34Å; C800-V916 PolarHBondContact N-O 3.46Å; C800-V916 PolarHBondContact O-N 3.47Å; D824-V916 HydrophobicContact CB-CG2 4.34Å; D826-V916 HydrophobicContact CB-CG2 4.05Å; A827-V916 HydrophobicContact CB-CB 3.93Å; A827-V916 HydrophobicContact CB-CG2 4.21Å |
| 917 | K | 80 | Confident | 73.5 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -79 | 135.1 | 177.8 | -70.5 | 171.5 | -178.6 | 168.4 | 0 | 110.6 | ||
| 918 | P | 78.6 | Confident | 71.1 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 16% | 0.156 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 143.9 | 177.3 | 26.7 | -33.8 | 0 | 0 | 0 | 112.7 | F787 K788 L795 G798 | F787-P918 HydrophobicContact CB-CB 3.78Å; F787-P918 HydrophobicContact CB-CG 4.03Å; F787-P918 HydrophobicContact CD1-CB 3.77Å; F787-P918 HydrophobicContact CD1-CG 3.58Å; F787-P918 HydrophobicContact CE1-CG 4.26Å; F787-P918 HydrophobicContact CG-CB 4.13Å; F787-P918 HydrophobicContact CG-CG 3.96Å; K788-P918 CarbonylContact O-C 3.51Å; K788-P918 WeakPolarHBondContact O-CA 3.08Å; L795-P918 HydrophobicContact CD1-CB 4.19Å; L795-P918 HydrophobicContact CD1-CG 4.22Å; G798-P918 WeakPolarHBondContact O-CD 3.34Å; G798-P918 VanDerWaalsContact O-CG 3.27Å; G798-P918 WeakPolarHBondContact O-CG 3.48Å |
| 919 | S | 74.4 | Confident | 68.8 | Low | 80 Ų | 80 | 72.1 Ų | 72.1 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.3 | 168.5 | -75.4 | 0 | 0 | 0 | 0 | 111.1 | F787 K788 | F787-S919 WeakPolarHBondContact CA-O 3.42Å; K788-S919 PolarHBondContact N-O 3.02Å; K788-S919 PolarHBondContact O-N 3.04Å |
| 920 | R | 64.1 | Low | 66.6 | Low | 194 Ų | 194 | 67.1 Ų | 67.1 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140.8 | 169.7 | -65 | -168.2 | -154 | -162.2 | 7.6 | 110.5 | F786 F787 | F786-R920 CarbonylContact O-C 3.18Å; F786-R920 VanDerWaalsContact O-CA 3.3Å; F786-R920 WeakPolarHBondContact O-CA 3.46Å; F787-R920 HydrophobicContact CD1-CG 4.01Å; F787-R920 HydrophobicContact CE1-CG 3.51Å; F787-R920 HydrophobicContact CZ-CG 4.06Å |
| 921 | T | 61.8 | Low | 64.6 | Low | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | trans | -130.4 | 148.5 | 172.7 | 80.8 | 0 | 0 | 0 | 0 | 110.9 | F786 K788 | F786-T921 PolarHBondContact O-N 2.73Å; K788-T921 HydrophobicContact CB-CG2 3.64Å; K788-T921 HydrophobicContact CD-CG2 4.2Å | ||
| 922 | S | 57.2 | Low | 62.5 | Low | 116 Ų | 116 | 68.9 Ų | 68.9 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | trans | -94 | 2.3 | 173.7 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | K924 | S922-K924 PolarHBondContact O-N 3.39Š| ||
| 923 | D | 47.3 | Very low | 60.8 | Low | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | trans | -96.4 | 94.7 | -164.7 | -169.7 | -8.5 | 0 | 0 | 0 | 111.6 | S925 N926 | D923-S925 PolarHBondContact O-N 3.38Å; D923-S925 WeakPolarHBondContact OD1-CB 3.23Å; D923-S925 PolarHBondContact OD1-N 2.77Å; D923-S925 PolarHBondContact OD1-OG 3.22Å; D923-S925 PolarHBondContact OD2-OG 2.92Å; D923-N926 PolarHBondContact O-N 2.81Å; D923-N926 PolarHBondContact OD2-ND2 3.26Å | ||
| 924 | K | 49.9 | Very low | 59.4 | Low | 172 Ų | 172 | 70 Ų | 70 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -57.3 | -18.5 | -177.9 | -65.9 | -173 | 176 | -173.6 | 0 | 114.1 | S922 N926 M927 | S922-K924 PolarHBondContact O-N 3.39Å; K924-N926 PolarHBondContact O-N 3.21Å; K924-M927 WeakPolarHBondContact O-CB 3.2Å; K924-M927 PolarHBondContact O-N 3.06Å |
| 925 | S | 46.9 | Very low | 58.2 | Low | 79 Ų | 79 | 76.1 Ų | 76.1 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -65.8 | -24.4 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | D923 | D923-S925 PolarHBondContact O-N 3.38Å; D923-S925 WeakPolarHBondContact OD1-CB 3.23Å; D923-S925 PolarHBondContact OD1-N 2.77Å; D923-S925 PolarHBondContact OD1-OG 3.22Å; D923-S925 PolarHBondContact OD2-OG 2.92Å |
| 926 | N | 36.6 | Very low | 57.2 | Low | 52 Ų | 52 | 79.3 Ų | 79.3 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -93.5 | 9.3 | 178.9 | -66.8 | -72.8 | 0 | 0 | 0 | 113.7 | D923 K924 T928 Q929 | D923-N926 PolarHBondContact O-N 2.81Å; D923-N926 PolarHBondContact OD2-ND2 3.26Å; K924-N926 PolarHBondContact O-N 3.21Å; N926-T928 PolarHBondContact O-N 3.49Å; N926-Q929 VanDerWaalsContact O-CB 3.25Å; N926-Q929 WeakPolarHBondContact O-CB 3.42Å; N926-Q929 PolarHBondContact O-N 2.71Å |
| 927 | M | 41.2 | Very low | 56.4 | Low | 116 Ų | 116 | 81.5 Ų | 81.5 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -59.9 | -28.4 | 179.3 | -168.4 | 168 | 67.4 | 0 | 0 | 112.6 | K924 Q929 L930 | K924-M927 WeakPolarHBondContact O-CB 3.2Å; K924-M927 PolarHBondContact O-N 3.06Å; M927-Q929 VanDerWaalsContact C-N 3.26Å; M927-Q929 PolarHBondContact O-N 2.81Å; M927-L930 WeakPolarHBondContact O-CB 3.49Å; M927-L930 PolarHBondContact O-N 2.82Å |
| 928 | T | 36.3 | Very low | 56 | Low | 116 Ų | 116 | 80.8 Ų | 80.8 | 71% | 0.712 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -67.5 | -17.8 | 170.6 | 20.3 | 0 | 0 | 0 | 0 | 114.4 | N926 L930 | N926-T928 PolarHBondContact O-N 3.49Å; T928-L930 VanDerWaalsContact C-N 3.31Å |
| 929 | Q | 38.7 | Very low | 56.2 | Low | 104 Ų | 104 | 80.6 Ų | 80.6 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -80.2 | -15 | 179.9 | -148.1 | 170.4 | 34 | 0 | 0 | 112.5 | N926 M927 L931 G932 | N926-Q929 VanDerWaalsContact O-CB 3.25Å; N926-Q929 WeakPolarHBondContact O-CB 3.42Å; N926-Q929 PolarHBondContact O-N 2.71Å; M927-Q929 VanDerWaalsContact C-N 3.26Å; M927-Q929 PolarHBondContact O-N 2.81Å; Q929-L931 PolarHBondContact O-N 2.69Å; Q929-G932 PolarHBondContact O-N 3.17Å |
| 930 | L | 42.2 | Very low | 56.2 | Low | 37 Ų | 37 | 78.2 Ų | 78.2 | 19% | 0.194 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -62.3 | -26.9 | 173.3 | -152 | 81.9 | 0 | 0 | 0 | 112 | L785 F787 L795 M927 T928 G932 | L785-L930 HydrophobicContact CD2-CD2 4.17Å; F787-L930 WeakPolarHBondContact O-CD1 3.47Å; L795-L930 HydrophobicContact CD2-CD1 3.4Å; L795-L930 HydrophobicContact CD2-CG 3.87Å; M927-L930 WeakPolarHBondContact O-CB 3.49Å; M927-L930 PolarHBondContact O-N 2.82Å; T928-L930 VanDerWaalsContact C-N 3.31Å; L930-G932 VanDerWaalsContact C-N 3.31Å; L930-G932 PolarHBondContact O-N 3.09Å |
| 931 | L | 47.8 | Very low | 56.4 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -93.4 | 40 | 179.4 | -82.9 | 74.2 | 0 | 0 | 0 | 112.1 | Q929 M933 L934 Y944 | Q929-L931 PolarHBondContact O-N 2.69Å; L931-M933 PolarHBondContact O-N 2.7Å; L931-M933 VanDerWaalsContact O-N 3.1Å; L931-L934 HydrophobicContact CB-CB 4.02Å; L931-L934 HydrophobicContact CD2-CB 4.05Å; L931-L934 HydrophobicContact CG-CB 4.03Å; L931-L934 HydrophobicContact CG-CD1 4.47Å; L931-L934 CarbonylContact O-C 3.57Å; L931-L934 VanDerWaalsContact O-C 3.28Å; L931-L934 PolarHBondContact O-N 3.4Å; L931-Y944 HydrophobicContact CD2-CD1 4.1Å; L931-Y944 HydrophobicContact CD2-CE1 3.35Å |
| 932 | G | 48.1 | Very low | 56.9 | Low | 21 Ų | 21 | 75.2 Ų | 75.2 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -55.1 | -31.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q929 L930 K935 | Q929-G932 PolarHBondContact O-N 3.17Å; L930-G932 VanDerWaalsContact C-N 3.31Å; L930-G932 PolarHBondContact O-N 3.09Å; G932-K935 WeakPolarHBondContact O-CE 3.15Å |
| 933 | M | 58.6 | Low | 58.1 | Low | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -89.8 | -39.7 | 170.7 | -65.6 | 173.6 | 65.4 | 0 | 0 | 112.6 | M794 V796 G840 V843 L844 L931 K935 L1014 | M794-M933 HydrophobicContact SD-CG 4.18Å; V796-M933 HydrophobicContact CG2-SD 3.68Å; G840-M933 WeakPolarHBondContact O-CE 3.25Å; V843-M933 HydrophobicContact CB-CE 3.65Å; V843-M933 HydrophobicContact CG1-CE 3.43Å; V843-M933 VanDerWaalsContact CG1-CE 3.43Å; L844-M933 HydrophobicContact CD1-SD 4.28Å; L844-M933 HydrophobicContact CD2-CE 3.92Å; L844-M933 HydrophobicContact CD2-CG 4.16Å; L844-M933 HydrophobicContact CD2-SD 4.11Å; L844-M933 HydrophobicContact CG-CE 3.93Å; L844-M933 HydrophobicContact CG-SD 4.12Å; L931-M933 PolarHBondContact O-N 2.7Å; L931-M933 VanDerWaalsContact O-N 3.1Å; M933-K935 VanDerWaalsContact C-N 3.25Å; M933-K935 PolarHBondContact O-N 2.96Å; M933-L1014 HydrophobicContact CE-CD2 3.86Å; M933-L1014 HydrophobicContact SD-CD2 4.15Å |
| 934 | L | 64.6 | Low | 59.8 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -81 | 62.9 | -179.1 | -56.9 | -175.3 | 0 | 0 | 0 | 111.5 | L931 Y944 F1011 L1015 T1018 | L931-L934 HydrophobicContact CB-CB 4.02Å; L931-L934 HydrophobicContact CD2-CB 4.05Å; L931-L934 HydrophobicContact CG-CB 4.03Å; L931-L934 HydrophobicContact CG-CD1 4.47Å; L931-L934 CarbonylContact O-C 3.57Å; L931-L934 VanDerWaalsContact O-C 3.28Å; L931-L934 PolarHBondContact O-N 3.4Å; L934-Y944 HydrophobicContact CB-CD1 3.94Å; L934-Y944 HydrophobicContact CB-CG 4.21Å; L934-Y944 WeakPolarHBondContact O-CD1 3.42Å; L934-F1011 HydrophobicContact CD2-CD2 4.39Å; L934-F1011 HydrophobicContact CD2-CE2 3.48Å; L934-F1011 VanDerWaalsContact CD2-CE2 3.48Å; L934-F1011 HydrophobicContact CD2-CZ 3.7Å; L934-L1015 HydrophobicContact CD1-CD1 3.93Å; L934-L1015 HydrophobicContact CD2-CB 4.47Å; L934-L1015 HydrophobicContact CD2-CD1 3.99Å; L934-T1018 HydrophobicContact CD1-CG2 3.79Å |
| 935 | K | 67.4 | Low | 61.3 | Low | 130 Ų | 130 | 62 Ų | 62 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | trans | -77 | 131.9 | 178.6 | -63.8 | 174.4 | -173.1 | 167.6 | 0 | 110.3 | G932 M933 G937 M945 | G932-K935 WeakPolarHBondContact O-CE 3.15Å; M933-K935 VanDerWaalsContact C-N 3.25Å; M933-K935 PolarHBondContact O-N 2.96Å; K935-G937 PolarHBondContact O-N 3.03Å; K935-M945 WeakPolarHBondContact O-CB 3.29Å; K935-M945 PolarHBondContact O-N 3.41Å | ||
| 936 | H | 70.5 | Confident | 62.9 | Low | 77 Ų | 77 | 59.4 Ų | 59.4 | 36% | 0.356 | 33% | 0.327 | S | S | . | . | trans | -58.7 | -32.9 | 170.5 | -70 | -68.1 | 0 | 0 | 0 | 112.8 | D938 C939 F943 Y944 | H936-D938 PolarHBondContact O-N 2.84Å; H936-C939 WeakPolarHBondContact O-CB 3.46Å; H936-C939 PolarHBondContact O-N 3.46Å; H936-C939 PolarHBondContact O-SG 3.28Å; H936-F943 WeakPolarHBondContact CA-O 3.27Å; H936-F943 PolarHBondContact ND1-O 2.95Å; H936-Y944 AromaticContact CE1-CD1 3.77Å; H936-Y944 AromaticContact CE1-CE1 3.16Å; H936-Y944 WeakPolarHBondContact CE1-CE1 3.45Å; H936-Y944 AromaticContact CE1-CZ 3.64Å; H936-Y944 AromaticContact ND1-CD1 3.76Å; H936-Y944 AromaticContact ND1-CE1 3.65Å; H936-Y944 AromaticContact NE2-CE1 3.59Å | ||
| 937 | G | 71.2 | Confident | 64.7 | Low | 48 Ų | 48 | 61.3 Ų | 61.3 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -134.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K935 C939 | K935-G937 PolarHBondContact O-N 3.03Å; G937-C939 VanDerWaalsContact C-N 3.29Å |
| 938 | D | 73.5 | Confident | 66.5 | Low | 121 Ų | 121 | 59.3 Ų | 59.3 | 65% | 0.647 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 10.7 | 172.8 | -70.7 | -30.3 | 0 | 0 | 0 | 112.4 | H936 L1111 | H936-D938 PolarHBondContact O-N 2.84Å; D938-L1111 HydrophobicContact CB-CD1 4.07Å; D938-L1111 HydrophobicContact CB-CD2 4.38Å |
| 939 | C | 82.2 | Confident | 68.8 | Low | 19 Ų | 19 | 54.4 Ų | 54.4 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.4 | 160.4 | -179.6 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | H936 G937 F943 M945 C950 | H936-C939 WeakPolarHBondContact O-CB 3.46Å; H936-C939 PolarHBondContact O-N 3.46Å; H936-C939 PolarHBondContact O-SG 3.28Å; G937-C939 VanDerWaalsContact C-N 3.29Å; C939-F943 HydrophobicContact CB-CB 3.84Å; C939-M945 VanDerWaalsContact SG-CB 3.58Å; C939-C950 HydrophobicContact CB-CB 3.84Å; C939-C950 WeakPolarHBondContact CB-SG 3.45Å; C939-C950 VanDerWaalsContact SG-CA 3.58Å; C939-C950 WeakPolarHBondContact SG-CB 3.48Å; C939-C950 CovalentContact SG-SG 2.02Å; C939-C950 PolarHBondContact SG-SG 3.23Å |
| 940 | S | 73.8 | Confident | 71.1 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -55 | 160.3 | 162.8 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | F943 Y1109 | S940-F943 PolarHBondContact O-N 2.72Å; S940-Y1109 WeakPolarHBondContact CB-OH 3.27Å; S940-Y1109 PolarHBondContact N-OH 3.48Å |
| 941 | S | 69 | Low | 73.3 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 147.8 | 167.3 | 51 | 0 | 0 | 0 | 0 | 111.6 | F943 | S941-F943 PolarHBondContact O-N 2.8Å; S941-F943 VanDerWaalsContact O-N 3.11Å |
| 942 | D | 72.1 | Confident | 75.2 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 57% | 0.572 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 3.4 | -178.8 | -47.7 | -41.4 | 0 | 0 | 0 | 116.1 | S952 | D942-S952 VanDerWaalsContact O-CB 3.24Å; D942-S952 WeakPolarHBondContact O-CB 3.45Å; D942-S952 PolarHBondContact O-OG 2.88Å |
| 943 | F | 83.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | trans | -109.7 | 144.6 | 171.2 | -81.4 | -97 | 0 | 0 | 0 | 113 | H936 C939 S940 S941 C950 Y951 S977 T978 P998 C1107 Y1109 | H936-F943 WeakPolarHBondContact CA-O 3.27Å; H936-F943 PolarHBondContact ND1-O 2.95Å; C939-F943 HydrophobicContact CB-CB 3.84Å; S940-F943 PolarHBondContact O-N 2.72Å; S941-F943 PolarHBondContact O-N 2.8Å; S941-F943 VanDerWaalsContact O-N 3.11Å; F943-C950 HydrophobicContact CB-CB 4.15Å; F943-C950 HydrophobicContact CD1-CB 4.08Å; F943-C950 HydrophobicContact CG-CB 4.48Å; F943-Y951 CarbonylContact C-O 3.53Å; F943-Y951 WeakPolarHBondContact CA-O 3.43Å; F943-Y951 VanDerWaalsContact CD1-C 3.44Å; F943-S977 WeakPolarHBondContact CE2-OG 3.4Å; F943-S977 WeakPolarHBondContact CZ-OG 3.5Å; F943-T978 HydrophobicContact CE2-CG2 4.08Å; F943-P998 HydrophobicContact CE1-CB 4.43Å; F943-P998 HydrophobicContact CZ-CB 4.01Å; F943-P998 HydrophobicContact CZ-CG 4.5Å; F943-C1107 HydrophobicContact CE1-CB 4.23Å; F943-C1107 HydrophobicContact CZ-CB 4.27Å; F943-Y1109 HydrophobicContact CB-CE1 4.26Å; F943-Y1109 AromaticContact CD1-CD1 3.9Å; F943-Y1109 HydrophobicContact CD1-CD1 3.9Å; F943-Y1109 AromaticContact CD1-CE1 3.38Å; F943-Y1109 HydrophobicContact CD1-CE1 3.38Å; F943-Y1109 AromaticContact CD2-CE1 3.91Å; F943-Y1109 HydrophobicContact CD2-CE1 3.91Å; F943-Y1109 AromaticContact CE1-CD1 3.71Å; F943-Y1109 HydrophobicContact CE1-CD1 3.71Å; F943-Y1109 AromaticContact CE1-CE1 3.53Å; F943-Y1109 HydrophobicContact CE1-CE1 3.53Å; F943-Y1109 HydrophobicContact CE2-CE1 4.01Å; F943-Y1109 AromaticContact CG-CE1 3.58Å; F943-Y1109 HydrophobicContact CG-CE1 3.58Å; F943-Y1109 HydrophobicContact CZ-CD1 4.16Å; F943-Y1109 AromaticContact CZ-CE1 3.84Å; F943-Y1109 HydrophobicContact CZ-CE1 3.84Å | ||
| 944 | Y | 82.7 | Confident | 77.9 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 12% | 0.122 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131 | -174.5 | -54.7 | -76.4 | 0 | 0 | 0 | 111.1 | L931 L934 H936 C950 Y951 L1015 I1019 | L931-Y944 HydrophobicContact CD2-CD1 4.1Å; L931-Y944 HydrophobicContact CD2-CE1 3.35Å; L934-Y944 HydrophobicContact CB-CD1 3.94Å; L934-Y944 HydrophobicContact CB-CG 4.21Å; L934-Y944 WeakPolarHBondContact O-CD1 3.42Å; H936-Y944 AromaticContact CE1-CD1 3.77Å; H936-Y944 AromaticContact CE1-CE1 3.16Å; H936-Y944 WeakPolarHBondContact CE1-CE1 3.45Å; H936-Y944 AromaticContact CE1-CZ 3.64Å; H936-Y944 AromaticContact ND1-CD1 3.76Å; H936-Y944 AromaticContact ND1-CE1 3.65Å; H936-Y944 AromaticContact NE2-CE1 3.59Å; Y944-C950 CarbonylContact O-C 3.58Å; Y944-C950 WeakPolarHBondContact O-CA 3.22Å; Y944-Y951 PolarHBondContact N-O 3.43Å; Y944-Y951 PolarHBondContact O-N 2.98Å; Y944-L1015 HydrophobicContact CD2-CD1 3.64Å; Y944-L1015 HydrophobicContact CE2-CD1 4.28Å; Y944-L1015 HydrophobicContact CG-CD1 4.23Å; Y944-I1019 HydrophobicContact CD2-CD1 4.26Å; Y944-I1019 HydrophobicContact CE2-CD1 3.71Å |
| 945 | M | 80.6 | Confident | 78.2 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.6 | -172 | -165.3 | 179.5 | 72.4 | 0 | 0 | 112.4 | K935 C939 T949 L1111 | K935-M945 WeakPolarHBondContact O-CB 3.29Å; K935-M945 PolarHBondContact O-N 3.41Å; C939-M945 VanDerWaalsContact SG-CB 3.58Å; M945-T949 CarbonylContact C-O 3.46Å; M945-T949 VanDerWaalsContact CA-O 3.3Å; M945-T949 WeakPolarHBondContact CA-O 3.38Å; M945-L1111 HydrophobicContact CG-CD1 3.94Å; M945-L1111 HydrophobicContact SD-CD1 3.52Å; M945-L1111 VanDerWaalsContact SD-CD1 3.52Å |
| 946 | F | 81.2 | Confident | 78 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132 | 167.6 | 178.4 | -108.2 | 0 | 0 | 0 | 110.1 | V843 N948 T949 Y951 V1007 F1011 | V843-F946 HydrophobicContact CG1-CD2 4.16Å; V843-F946 HydrophobicContact CG1-CE2 3.66Å; V843-F946 HydrophobicContact CG1-CZ 4.22Å; F946-N948 VanDerWaalsContact C-N 3.26Å; F946-N948 PolarHBondContact O-N 3.39Å; F946-N948 VanDerWaalsContact O-N 3.1Å; F946-T949 PolarHBondContact N-O 3.02Å; F946-T949 CarbonylContact O-C 3.53Å; F946-T949 WeakPolarHBondContact O-CA 3.45Å; F946-T949 PolarHBondContact O-N 2.71Å; F946-Y951 HydrophobicContact CB-CD2 4.3Å; F946-Y951 HydrophobicContact CB-CE2 3.9Å; F946-Y951 HydrophobicContact CD1-CE2 4.48Å; F946-V1007 HydrophobicContact CE1-CG1 4.25Å; F946-V1007 HydrophobicContact CZ-CG1 3.66Å; F946-F1011 HydrophobicContact CB-CD1 3.91Å; F946-F1011 HydrophobicContact CB-CD2 3.78Å; F946-F1011 HydrophobicContact CB-CE1 3.71Å; F946-F1011 HydrophobicContact CB-CE2 3.55Å; F946-F1011 HydrophobicContact CB-CG 3.96Å; F946-F1011 HydrophobicContact CB-CZ 3.53Å; F946-F1011 HydrophobicContact CD1-CB 4.04Å; F946-F1011 HydrophobicContact CD1-CD1 4.11Å; F946-F1011 HydrophobicContact CD1-CD2 4.23Å; F946-F1011 AromaticContact CD1-CG 3.85Å; F946-F1011 HydrophobicContact CD1-CG 3.85Å; F946-F1011 AromaticContact CD2-CD2 3.91Å; F946-F1011 HydrophobicContact CD2-CD2 3.91Å; F946-F1011 HydrophobicContact CD2-CE2 4.26Å; F946-F1011 HydrophobicContact CD2-CG 4.35Å; F946-F1011 HydrophobicContact CE1-CB 4.25Å; F946-F1011 HydrophobicContact CG-CB 4.34Å; F946-F1011 HydrophobicContact CG-CD1 4.12Å; F946-F1011 AromaticContact CG-CD2 3.68Å; F946-F1011 HydrophobicContact CG-CD2 3.68Å; F946-F1011 HydrophobicContact CG-CE1 4.4Å; F946-F1011 AromaticContact CG-CE2 3.98Å; F946-F1011 HydrophobicContact CG-CE2 3.98Å; F946-F1011 AromaticContact CG-CG 3.77Å; F946-F1011 HydrophobicContact CG-CG 3.77Å; F946-F1011 HydrophobicContact CG-CZ 4.34Å |
| 947 | N | 74.3 | Confident | 77.5 | Confident | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42 | 46.4 | -177 | -74 | -7.8 | 0 | 0 | 0 | 115.7 | D846 T949 | D846-N947 PolarHBondContact OD2-ND2 2.98Å; D846-N947 PolarHBondContact OD2-OD1 3.01Å; N947-T949 PolarHBondContact O-N 2.99Å |
| 948 | N | 79.1 | Confident | 76.7 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 17.7 | 179.3 | -172.4 | 88.2 | 0 | 0 | 0 | 113.8 | F946 L1111 | F946-N948 VanDerWaalsContact C-N 3.26Å; F946-N948 PolarHBondContact O-N 3.39Å; F946-N948 VanDerWaalsContact O-N 3.1Å; N948-L1111 PolarHBondContact ND2-O 3.12Å; N948-L1111 WeakPolarHBondContact O-CB 3.49Å; N948-L1111 PolarHBondContact O-N 2.97Å |
| 949 | T | 83.7 | Confident | 76.1 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.1 | 165.3 | -52.5 | 0 | 0 | 0 | 0 | 108.9 | M945 F946 N947 Y951 Y1109 K1110 | M945-T949 CarbonylContact C-O 3.46Å; M945-T949 VanDerWaalsContact CA-O 3.3Å; M945-T949 WeakPolarHBondContact CA-O 3.38Å; F946-T949 PolarHBondContact N-O 3.02Å; F946-T949 CarbonylContact O-C 3.53Å; F946-T949 WeakPolarHBondContact O-CA 3.45Å; F946-T949 PolarHBondContact O-N 2.71Å; N947-T949 PolarHBondContact O-N 2.99Å; T949-Y951 WeakPolarHBondContact CB-OH 3.28Å; T949-Y951 HydrophobicContact CG2-CD2 4.28Å; T949-Y951 HydrophobicContact CG2-CE1 3.99Å; T949-Y951 HydrophobicContact CG2-CE2 3.59Å; T949-Y951 VanDerWaalsContact CG2-CZ 3.41Å; T949-Y951 WeakPolarHBondContact CG2-OH 3.41Å; T949-Y1109 CarbonylContact C-O 3.56Å; T949-Y1109 WeakPolarHBondContact CA-O 3.26Å; T949-Y1109 WeakPolarHBondContact CG2-O 3.45Å; T949-K1110 HydrophobicContact CG2-CG 4.14Å; T949-K1110 WeakPolarHBondContact OG1-CG 3.49Å |
| 950 | C | 88 | Confident | 75.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.5 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 109.1 | C939 F943 Y944 S1108 Y1109 | C939-C950 HydrophobicContact CB-CB 3.84Å; C939-C950 WeakPolarHBondContact CB-SG 3.45Å; C939-C950 VanDerWaalsContact SG-CA 3.58Å; C939-C950 WeakPolarHBondContact SG-CB 3.48Å; C939-C950 CovalentContact SG-SG 2.02Å; C939-C950 PolarHBondContact SG-SG 3.23Å; F943-C950 HydrophobicContact CB-CB 4.15Å; F943-C950 HydrophobicContact CD1-CB 4.08Å; F943-C950 HydrophobicContact CG-CB 4.48Å; Y944-C950 CarbonylContact O-C 3.58Å; Y944-C950 WeakPolarHBondContact O-CA 3.22Å; C950-S1108 CarbonylContact O-C 3.57Å; C950-S1108 WeakPolarHBondContact O-CA 3.43Å; C950-S1108 VanDerWaalsContact O-CB 3.23Å; C950-S1108 WeakPolarHBondContact O-CB 3.3Å; C950-Y1109 HydrophobicContact CB-CD1 3.94Å; C950-Y1109 HydrophobicContact CB-CD2 3.84Å; C950-Y1109 HydrophobicContact CB-CE1 3.64Å; C950-Y1109 HydrophobicContact CB-CE2 3.5Å; C950-Y1109 VanDerWaalsContact CB-CE2 3.5Å; C950-Y1109 HydrophobicContact CB-CG 4.06Å; C950-Y1109 PolarHBondContact N-O 3.01Å; C950-Y1109 PolarHBondContact O-N 2.8Å; C950-Y1109 WeakPolarHBondContact SG-CE2 3.28Å |
| 951 | Y | 88.7 | Confident | 75.7 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.3 | -178.1 | -54.1 | -102.9 | 0 | 0 | 0 | 112.2 | F943 Y944 F946 T949 A1001 E1008 F1011 M1012 I1106 C1107 | F943-Y951 CarbonylContact C-O 3.53Å; F943-Y951 WeakPolarHBondContact CA-O 3.43Å; F943-Y951 VanDerWaalsContact CD1-C 3.44Å; Y944-Y951 PolarHBondContact N-O 3.43Å; Y944-Y951 PolarHBondContact O-N 2.98Å; F946-Y951 HydrophobicContact CB-CD2 4.3Å; F946-Y951 HydrophobicContact CB-CE2 3.9Å; F946-Y951 HydrophobicContact CD1-CE2 4.48Å; T949-Y951 WeakPolarHBondContact CB-OH 3.28Å; T949-Y951 HydrophobicContact CG2-CD2 4.28Å; T949-Y951 HydrophobicContact CG2-CE1 3.99Å; T949-Y951 HydrophobicContact CG2-CE2 3.59Å; T949-Y951 VanDerWaalsContact CG2-CZ 3.41Å; T949-Y951 WeakPolarHBondContact CG2-OH 3.41Å; Y951-A1001 HydrophobicContact CD1-CB 4.04Å; Y951-A1001 HydrophobicContact CE1-CB 4.33Å; Y951-E1008 HydrophobicContact CE1-CG 4.36Å; Y951-E1008 WeakPolarHBondContact CE1-OE1 3.45Å; Y951-E1008 VanDerWaalsContact OH-CD 3.23Å; Y951-E1008 PolarHBondContact OH-OE1 2.98Å; Y951-F1011 HydrophobicContact CD2-CD1 4.15Å; Y951-F1011 AromaticContact CD2-CE1 3.48Å; Y951-F1011 HydrophobicContact CD2-CE1 3.48Å; Y951-F1011 VanDerWaalsContact CD2-CE1 3.48Å; Y951-F1011 HydrophobicContact CD2-CZ 4.31Å; Y951-F1011 HydrophobicContact CE2-CD1 4.32Å; Y951-F1011 HydrophobicContact CE2-CE1 4.03Å; Y951-F1011 HydrophobicContact CG-CD1 4.39Å; Y951-F1011 AromaticContact CG-CE1 3.8Å; Y951-F1011 HydrophobicContact CG-CE1 3.8Å; Y951-M1012 HydrophobicContact CD1-CG 4.4Å; Y951-M1012 HydrophobicContact CE1-CG 4.43Å; Y951-I1106 HydrophobicContact CD1-CG2 4.4Å; Y951-C1107 CarbonylContact C-O 3.5Å; Y951-C1107 WeakPolarHBondContact CA-O 3.13Å |
| 952 | S | 85.6 | Confident | 76 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.1 | 174.2 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | D942 I1106 C1107 | D942-S952 VanDerWaalsContact O-CB 3.24Å; D942-S952 WeakPolarHBondContact O-CB 3.45Å; D942-S952 PolarHBondContact O-OG 2.88Å; S952-I1106 CarbonylContact O-C 3.53Å; S952-I1106 VanDerWaalsContact O-CA 3.3Å; S952-I1106 WeakPolarHBondContact O-CA 3.31Å; S952-I1106 WeakPolarHBondContact O-CG2 3.24Å; S952-C1107 PolarHBondContact N-O 3.27Å; S952-C1107 PolarHBondContact O-N 2.04Å |
| 953 | V | 84.5 | Confident | 76.1 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.1 | -179.5 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | L1015 I1019 I1026 I1106 | V953-L1015 HydrophobicContact CG2-CD2 4.12Å; V953-L1015 HydrophobicContact CG2-CG 3.81Å; V953-I1019 HydrophobicContact CB-CB 3.99Å; V953-I1019 HydrophobicContact CB-CD1 3.88Å; V953-I1019 HydrophobicContact CB-CG2 3.9Å; V953-I1019 HydrophobicContact CG1-CB 4.32Å; V953-I1019 HydrophobicContact CG1-CG2 4.16Å; V953-I1019 HydrophobicContact CG2-CB 4.27Å; V953-I1019 HydrophobicContact CG2-CD1 3.84Å; V953-I1026 HydrophobicContact CG1-CD1 4.16Å; V953-I1106 HydrophobicContact CG2-CG1 4.23Å |
| 954 | I | 80.2 | Confident | 75.4 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.8 | 176.1 | -62.9 | -168.9 | 0 | 0 | 0 | 109.5 | H973 E1104 S1105 C1107 | I954-H973 VanDerWaalsContact CD1-C 3.5Å; I954-H973 HydrophobicContact CD1-CB 3.93Å; I954-H973 WeakPolarHBondContact CD1-O 3.1Å; I954-E1104 WeakPolarHBondContact O-CA 3.3Å; I954-E1104 WeakPolarHBondContact O-CB 3.5Å; I954-E1104 WeakPolarHBondContact O-CG 3.41Å; I954-S1105 PolarHBondContact N-O 2.93Å; I954-S1105 PolarHBondContact O-N 3.24Å; I954-C1107 WeakPolarHBondContact CD1-SG 3.48Å |
| 955 | A | 70.4 | Confident | 74.7 | Confident | 63 Ų | 63 | 55 Ų | 55 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 151.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R957 | A955-R957 PolarHBondContact O-N 3.21Š|
| 956 | P | 63.5 | Low | 74.4 | Confident | 70 Ų | 70 | 54 Ų | 54 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 127.2 | -170.8 | 31.4 | -25.4 | 0 | 0 | 0 | 109.1 | E1104 | P956-E1104 HydrophobicContact CB-CG 4Å; P956-E1104 VanDerWaalsContact CD-CG 3.43Å; P956-E1104 WeakPolarHBondContact CD-OE1 3.31Å; P956-E1104 HydrophobicContact CG-CG 3.86Å |
| 957 | R | 59.5 | Low | 74.1 | Confident | 167 Ų | 167 | 55.8 Ų | 55.8 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | trans | -104.4 | 175.3 | 175 | -66.9 | -177.8 | 178.7 | -129.1 | 1.6 | 110 | A955 S959 H973 | A955-R957 PolarHBondContact O-N 3.21Å; R957-S959 PolarHBondContact O-N 3.32Å; R957-H973 WeakPolarHBondContact CD-NE2 3.49Å | ||
| 958 | D | 55.8 | Low | 74.2 | Confident | 163 Ų | 163 | 52 Ų | 52 | 87% | 0.872 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -65.9 | -3 | 176.6 | -55.9 | -62.9 | 0 | 0 | 0 | 113.8 | H1102 | D958-H1102 PolarHBondContact O-CE1 3.24Å; D958-H1102 VanDerWaalsContact O-CE1 3.24Å |
| 959 | S | 59.4 | Low | 74 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | trans | -78 | 156.4 | 173.3 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | R957 E969 H1102 | R957-S959 PolarHBondContact O-N 3.32Å; S959-E969 VanDerWaalsContact CB-OE2 3.29Å; S959-E969 WeakPolarHBondContact CB-OE2 3.36Å; S959-H1102 PolarHBondContact O-ND1 3.02Å; S959-H1102 VanDerWaalsContact O-ND1 3.09Å | ||
| 960 | Q | 68.7 | Low | 73.8 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | trans | -118.6 | 160.7 | 176.1 | -64.4 | -179.3 | 0.1 | 0 | 0 | 109.1 | S962 S1100 H1102 | Q960-S962 PolarHBondContact O-N 3.29Å; Q960-S1100 PolarHBondContact NE2-O 3.46Å; Q960-H1102 WeakPolarHBondContact CG-CE1 3.3Å; Q960-H1102 PolarHBondContact NE2-NE2 2.67Å | ||
| 961 | R | 79.3 | Confident | 73.3 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | trans | -68.2 | 132.8 | 169.6 | -65.7 | -66.8 | -71.8 | -74.7 | 12.1 | 108 | I963 D968 I970 W1027 V1028 E1044 C1099 | R961-I963 PolarHBondContact O-N 2.9Å; R961-D968 VanDerWaalsContact CA-OD2 3.22Å; R961-D968 WeakPolarHBondContact CA-OD2 3.42Å; R961-D968 WeakPolarHBondContact CB-OD2 3.37Å; R961-D968 VanDerWaalsContact CD-OD2 3.3Å; R961-D968 WeakPolarHBondContact CD-OD2 3.47Å; R961-D968 IonicContact NE-OD1 3.41Å; R961-D968 IonicContact NE-OD2 2.77Å; R961-D968 PolarHBondContact NE-OD2 3.14Å; R961-I970 HydrophobicContact CG-CD1 4.16Å; R961-W1027 HydrophobicContact CG-CD2 3.66Å; R961-W1027 VanDerWaalsContact CG-CE2 3.49Å; R961-W1027 HydrophobicContact CG-CE3 4.26Å; R961-W1027 HydrophobicContact CG-CG 3.89Å; R961-W1027 HydrophobicContact CG-CZ2 4Å; R961-V1028 PolarHBondContact NH1-O 3.05Å; R961-V1028 VanDerWaalsContact NH1-O 3.1Å; R961-E1044 IonicContact CZ-OE1 3.35Å; R961-E1044 IonicContact NH2-OE1 2.65Å; R961-E1044 PolarHBondContact NH2-OE1 3.11Å; R961-C1099 HydrophobicContact CB-CB 4.11Å; R961-C1099 PolarHBondContact N-O 3.21Å | ||
| 962 | S | 74.5 | Confident | 72.6 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | trans | -70.1 | 133.7 | 179.2 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | Q960 V964 D965 D968 K1031 | Q960-S962 PolarHBondContact O-N 3.29Å; S962-V964 VanDerWaalsContact C-N 3.28Å; S962-V964 PolarHBondContact OG-N 3.47Å; S962-V964 VanDerWaalsContact OG-N 3.1Å; S962-D965 VanDerWaalsContact CB-OD2 3.23Å; S962-D965 WeakPolarHBondContact CB-OD2 3.11Å; S962-D965 PolarHBondContact OG-N 3.13Å; S962-D965 PolarHBondContact OG-OD2 3.36Å; S962-D968 PolarHBondContact N-OD2 3.09Å; S962-K1031 PolarHBondContact O-NZ 2.92Å | ||
| 963 | I | 74.1 | Confident | 72.1 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -79.1 | -12.1 | 170.2 | -157.4 | 175.5 | 0 | 0 | 0 | 111.6 | R961 Y1080 F1081 | R961-I963 PolarHBondContact O-N 2.9Å; I963-Y1080 CarbonylContact O-C 3.6Å; I963-Y1080 VanDerWaalsContact O-CA 3.23Å; I963-Y1080 WeakPolarHBondContact O-CA 3.34Å; I963-F1081 WeakPolarHBondContact CG1-O 3.5Å; I963-F1081 PolarHBondContact O-N 2.97Å |
| 964 | V | 68.8 | Low | 72 | Confident | 63 Ų | 63 | 56 Ų | 56 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -115.3 | -25.4 | -177 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | S962 F1081 | S962-V964 VanDerWaalsContact C-N 3.28Å; S962-V964 PolarHBondContact OG-N 3.47Å; S962-V964 VanDerWaalsContact OG-N 3.1Å; V964-F1081 VanDerWaalsContact O-CE2 3.29Å; V964-F1081 WeakPolarHBondContact O-CE2 3.33Å |
| 965 | D | 68.5 | Low | 71.5 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | trans | -105.5 | 135.6 | -179.2 | -45.5 | -80.3 | 0 | 0 | 0 | 110.9 | S962 K1031 F1081 | S962-D965 VanDerWaalsContact CB-OD2 3.23Å; S962-D965 WeakPolarHBondContact CB-OD2 3.11Å; S962-D965 PolarHBondContact OG-N 3.13Å; S962-D965 PolarHBondContact OG-OD2 3.36Å; D965-K1031 PolarHBondContact O-NZ 2.91Å; D965-F1081 VanDerWaalsContact C-CE2 3.47Å | ||
| 966 | F | 73.9 | Confident | 71.4 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 18% | 0.18 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -69.6 | -64.7 | 175.5 | 176.8 | -136.9 | 0 | 0 | 0 | 110.3 | D968 K1031 I1042 E1044 F1081 | F966-D968 PolarHBondContact O-N 2.85Å; F966-K1031 HydrophobicContact CD2-CB 4.29Å; F966-K1031 HydrophobicContact CD2-CD 3.99Å; F966-K1031 HydrophobicContact CE2-CB 4.32Å; F966-K1031 PolarHBondContact O-NZ 3.47Å; F966-I1042 HydrophobicContact CD1-CD1 4.13Å; F966-I1042 HydrophobicContact CD2-CD1 3.33Å; F966-I1042 HydrophobicContact CD2-CG1 3.96Å; F966-I1042 HydrophobicContact CE1-CD1 4.09Å; F966-I1042 HydrophobicContact CE2-CB 4.24Å; F966-I1042 HydrophobicContact CE2-CD1 3.31Å; F966-I1042 HydrophobicContact CE2-CG1 3.49Å; F966-I1042 VanDerWaalsContact CE2-CG1 3.49Å; F966-I1042 HydrophobicContact CG-CD1 3.76Å; F966-I1042 HydrophobicContact CZ-CB 4.19Å; F966-I1042 HydrophobicContact CZ-CD1 3.68Å; F966-I1042 HydrophobicContact CZ-CG1 3.92Å; F966-E1044 HydrophobicContact CD2-CG 4.49Å; F966-E1044 HydrophobicContact CE1-CG 4.48Å; F966-E1044 HydrophobicContact CE2-CG 3.77Å; F966-E1044 HydrophobicContact CZ-CB 4.27Å; F966-E1044 HydrophobicContact CZ-CG 3.79Å; F966-F1081 HydrophobicContact CB-CE1 4.12Å; F966-F1081 HydrophobicContact CB-CE2 4.11Å; F966-F1081 HydrophobicContact CB-CZ 3.66Å; F966-F1081 HydrophobicContact CD2-CE1 4.3Å; F966-F1081 VanDerWaalsContact N-CE2 3.35Å |
| 967 | H | 76.1 | Confident | 71.7 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -84.2 | 99.3 | 167.8 | -57.8 | -59.4 | 0 | 0 | 0 | 108.9 | S971 E1044 | H967-S971 WeakPolarHBondContact CA-OG 3.44Å; H967-E1044 IonicContact ND1-OE2 3.91Å |
| 968 | D | 76.1 | Confident | 71.8 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | trans | -92.2 | -173.3 | -179.6 | 56 | 31.5 | 0 | 0 | 0 | 112.7 | R961 S962 F966 I970 S971 G972 K1031 | R961-D968 VanDerWaalsContact CA-OD2 3.22Å; R961-D968 WeakPolarHBondContact CA-OD2 3.42Å; R961-D968 WeakPolarHBondContact CB-OD2 3.37Å; R961-D968 VanDerWaalsContact CD-OD2 3.3Å; R961-D968 WeakPolarHBondContact CD-OD2 3.47Å; R961-D968 IonicContact NE-OD1 3.41Å; R961-D968 IonicContact NE-OD2 2.77Å; R961-D968 PolarHBondContact NE-OD2 3.14Å; S962-D968 PolarHBondContact N-OD2 3.09Å; F966-D968 PolarHBondContact O-N 2.85Å; D968-I970 VanDerWaalsContact C-N 3.26Å; D968-I970 PolarHBondContact O-N 3.03Å; D968-I970 WeakPolarHBondContact OD1-CB 3.45Å; D968-I970 PolarHBondContact OD1-N 3.02Å; D968-I970 VanDerWaalsContact OD1-N 3.16Å; D968-S971 PolarHBondContact N-OG 3.34Å; D968-S971 CarbonylContact O-C 3.49Å; D968-S971 WeakPolarHBondContact O-CA 3.42Å; D968-S971 VanDerWaalsContact O-CB 3.27Å; D968-S971 WeakPolarHBondContact O-CB 3Å; D968-S971 PolarHBondContact O-N 3.48Å; D968-S971 VanDerWaalsContact O-N 3.07Å; D968-S971 PolarHBondContact OD1-N 2.92Å; D968-S971 PolarHBondContact OD1-OG 2.78Å; D968-G972 PolarHBondContact O-N 3.43Å; D968-K1031 IonicContact OD2-NZ 2.71Å; D968-K1031 PolarHBondContact OD2-NZ 3.32Å | ||
| 969 | E | 73.7 | Confident | 71.6 | Confident | 125 Ų | 125 | 52.5 Ų | 52.5 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | 178.7 | -172.5 | 176.5 | -160.2 | 0 | 0 | 112.8 | S959 S971 G972 H973 | S959-E969 VanDerWaalsContact CB-OE2 3.29Å; S959-E969 WeakPolarHBondContact CB-OE2 3.36Å; E969-S971 VanDerWaalsContact C-N 3.34Å; E969-G972 CarbonylContact O-C 3.59Å; E969-G972 PolarHBondContact O-N 2.76Å; E969-H973 VanDerWaalsContact O-CG 3.28Å; E969-H973 PolarHBondContact O-N 2.91Å; E969-H973 PolarHBondContact O-ND1 2.87Å; E969-H973 IonicContact OE1-CE1 3.45Å |
| 970 | I | 79.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 176.5 | -56.7 | -177.6 | 0 | 0 | 0 | 110.3 | R961 D968 H973 C974 I1000 S1105 | R961-I970 HydrophobicContact CG-CD1 4.16Å; D968-I970 VanDerWaalsContact C-N 3.26Å; D968-I970 PolarHBondContact O-N 3.03Å; D968-I970 WeakPolarHBondContact OD1-CB 3.45Å; D968-I970 PolarHBondContact OD1-N 3.02Å; D968-I970 VanDerWaalsContact OD1-N 3.16Å; I970-H973 WeakPolarHBondContact O-CB 3.43Å; I970-H973 PolarHBondContact O-N 2.95Å; I970-C974 PolarHBondContact O-N 3.16Å; I970-I1000 HydrophobicContact CB-CD1 4.45Å; I970-I1000 HydrophobicContact CG2-CD1 3.92Å; I970-S1105 WeakPolarHBondContact CG2-OG 3.39Å |
| 971 | S | 78.2 | Confident | 70.3 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 171.1 | -40.1 | 0 | 0 | 0 | 0 | 111 | H967 D968 E969 H973 C974 L975 E1044 | H967-S971 WeakPolarHBondContact CA-OG 3.44Å; D968-S971 PolarHBondContact N-OG 3.34Å; D968-S971 CarbonylContact O-C 3.49Å; D968-S971 WeakPolarHBondContact O-CA 3.42Å; D968-S971 VanDerWaalsContact O-CB 3.27Å; D968-S971 WeakPolarHBondContact O-CB 3Å; D968-S971 PolarHBondContact O-N 3.48Å; D968-S971 VanDerWaalsContact O-N 3.07Å; D968-S971 PolarHBondContact OD1-N 2.92Å; D968-S971 PolarHBondContact OD1-OG 2.78Å; E969-S971 VanDerWaalsContact C-N 3.34Å; S971-H973 VanDerWaalsContact C-N 3.32Å; S971-H973 PolarHBondContact O-N 3.03Å; S971-C974 VanDerWaalsContact O-CB 3.3Å; S971-C974 WeakPolarHBondContact O-CB 3.22Å; S971-C974 PolarHBondContact O-N 3.16Å; S971-C974 VanDerWaalsContact O-N 3.16Å; S971-L975 PolarHBondContact O-N 2.87Å; S971-E1044 PolarHBondContact OG-OE1 3.15Å; S971-E1044 PolarHBondContact OG-OE2 3.08Å |
| 972 | G | 73.8 | Confident | 69 | Low | 30 Ų | 30 | 62.8 Ų | 62.8 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -31.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | D968 E969 C974 L975 L976 | D968-G972 PolarHBondContact O-N 3.43Å; E969-G972 CarbonylContact O-C 3.59Å; E969-G972 PolarHBondContact O-N 2.76Å; G972-C974 VanDerWaalsContact C-N 3.31Å; G972-C974 PolarHBondContact O-N 3.04Å; G972-L975 VanDerWaalsContact O-CB 3.28Å; G972-L975 WeakPolarHBondContact O-CB 3.45Å; G972-L975 PolarHBondContact O-N 3.06Å; G972-L975 VanDerWaalsContact O-N 3.15Å; G972-L976 WeakPolarHBondContact O-CG 3.02Å; G972-L976 PolarHBondContact O-N 2.57Å |
| 973 | H | 75.4 | Confident | 68.2 | Low | 29 Ų | 29 | 64.3 Ų | 64.3 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -32.9 | 171.5 | -66.7 | -16.5 | 0 | 0 | 0 | 112.3 | I954 R957 E969 I970 S971 L976 S977 | I954-H973 VanDerWaalsContact CD1-C 3.5Å; I954-H973 HydrophobicContact CD1-CB 3.93Å; I954-H973 WeakPolarHBondContact CD1-O 3.1Å; R957-H973 WeakPolarHBondContact CD-NE2 3.49Å; E969-H973 VanDerWaalsContact O-CG 3.28Å; E969-H973 PolarHBondContact O-N 2.91Å; E969-H973 PolarHBondContact O-ND1 2.87Å; E969-H973 IonicContact OE1-CE1 3.45Å; I970-H973 WeakPolarHBondContact O-CB 3.43Å; I970-H973 PolarHBondContact O-N 2.95Å; S971-H973 VanDerWaalsContact C-N 3.32Å; S971-H973 PolarHBondContact O-N 3.03Å; H973-L976 PolarHBondContact O-N 2.76Å; H973-S977 PolarHBondContact O-N 2.84Å |
| 974 | C | 82.3 | Confident | 67.7 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 167.7 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | I970 S971 G972 L976 S977 P998 I1000 C1107 | I970-C974 PolarHBondContact O-N 3.16Å; S971-C974 VanDerWaalsContact O-CB 3.3Å; S971-C974 WeakPolarHBondContact O-CB 3.22Å; S971-C974 PolarHBondContact O-N 3.16Å; S971-C974 VanDerWaalsContact O-N 3.16Å; G972-C974 VanDerWaalsContact C-N 3.31Å; G972-C974 PolarHBondContact O-N 3.04Å; C974-L976 PolarHBondContact O-N 3.11Å; C974-L976 VanDerWaalsContact O-N 3.17Å; C974-S977 WeakPolarHBondContact O-CB 3.48Å; C974-S977 PolarHBondContact O-N 3.43Å; C974-S977 PolarHBondContact O-OG 2.91Å; C974-P998 WeakPolarHBondContact O-CG 3.32Å; C974-I1000 VanDerWaalsContact SG-CG1 3.56Å; C974-C1107 WeakPolarHBondContact CA-SG 3.07Å; C974-C1107 HydrophobicContact CB-CB 3.67Å; C974-C1107 WeakPolarHBondContact CB-SG 3.41Å; C974-C1107 WeakPolarHBondContact SG-CB 3.49Å; C974-C1107 CovalentContact SG-SG 2.03Å; C974-C1107 PolarHBondContact SG-SG 2.87Å |
| 975 | L | 70.4 | Confident | 67.4 | Low | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.335 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.9 | -41 | -179.5 | -140.1 | 79.1 | 0 | 0 | 0 | 113.5 | S971 G972 S977 T978 C985 C997 | S971-L975 PolarHBondContact O-N 2.87Å; G972-L975 VanDerWaalsContact O-CB 3.28Å; G972-L975 WeakPolarHBondContact O-CB 3.45Å; G972-L975 PolarHBondContact O-N 3.06Å; G972-L975 VanDerWaalsContact O-N 3.15Å; L975-S977 VanDerWaalsContact C-N 3.26Å; L975-S977 PolarHBondContact O-N 2.87Å; L975-T978 PolarHBondContact O-OG1 3.11Å; L975-C985 HydrophobicContact CD1-CB 3.8Å; L975-C985 HydrophobicContact CD2-CB 4.14Å; L975-C997 HydrophobicContact CD1-CB 4.09Å |
| 976 | L | 68.1 | Low | 67 | Low | 139 Ų | 139 | 64.4 Ų | 64.4 | 73% | 0.728 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.6 | -14.1 | -178.9 | -67.4 | 171.9 | 0 | 0 | 0 | 114.4 | G972 H973 C974 T978 | G972-L976 WeakPolarHBondContact O-CG 3.02Å; G972-L976 PolarHBondContact O-N 2.57Å; H973-L976 PolarHBondContact O-N 2.76Å; C974-L976 PolarHBondContact O-N 3.11Å; C974-L976 VanDerWaalsContact O-N 3.17Å; L976-T978 VanDerWaalsContact C-N 3.29Å; L976-T978 PolarHBondContact O-N 3.3Å |
| 977 | S | 69.3 | Low | 66.2 | Low | 38 Ų | 38 | 67.6 Ų | 67.6 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.3 | -179.6 | 68.4 | 0 | 0 | 0 | 0 | 114.2 | F943 H973 C974 L975 | F943-S977 WeakPolarHBondContact CE2-OG 3.4Å; F943-S977 WeakPolarHBondContact CZ-OG 3.5Å; H973-S977 PolarHBondContact O-N 2.84Å; C974-S977 WeakPolarHBondContact O-CB 3.48Å; C974-S977 PolarHBondContact O-N 3.43Å; C974-S977 PolarHBondContact O-OG 2.91Å; L975-S977 VanDerWaalsContact C-N 3.26Å; L975-S977 PolarHBondContact O-N 2.87Å |
| 978 | T | 61.7 | Low | 65.3 | Low | 12 Ų | 12 | 68 Ų | 68 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -110.7 | 134 | 173.5 | 49.2 | 0 | 0 | 0 | 0 | 111 | F943 L975 L976 A980 P998 Y1109 | F943-T978 HydrophobicContact CE2-CG2 4.08Å; L975-T978 PolarHBondContact O-OG1 3.11Å; L976-T978 VanDerWaalsContact C-N 3.29Å; L976-T978 PolarHBondContact O-N 3.3Å; T978-A980 PolarHBondContact O-N 2.82Å; T978-P998 HydrophobicContact CG2-CG 3.89Å; T978-P998 VanDerWaalsContact OG1-CD 3.24Å; T978-P998 WeakPolarHBondContact OG1-CD 3.35Å; T978-P998 WeakPolarHBondContact OG1-CG 3.45Å; T978-Y1109 HydrophobicContact CG2-CE1 4.18Å |
| 979 | H | 51.7 | Low | 64.4 | Low | 168 Ų | 168 | 71.3 Ų | 71.3 | 78% | 0.778 | 40% | 0.399 | S | S | * | . | trans | -72.5 | 34.4 | 179.3 | -65.9 | -47 | 0 | 0 | 0 | 114.7 | T981 | H979-T981 VanDerWaalsContact C-N 3.27Å; H979-T981 PolarHBondContact O-N 2.92Å | ||
| 980 | A | 52.1 | Low | 63.7 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | trans | -81.8 | 58.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T978 N982 F996 | T978-A980 PolarHBondContact O-N 2.82Å; A980-N982 PolarHBondContact O-N 3.22Å; A980-F996 HydrophobicContact CB-CB 4.38Å; A980-F996 HydrophobicContact CB-CD1 4.13Å | ||
| 981 | T | 48 | Very low | 62.9 | Low | 127 Ų | 127 | 73.5 Ų | 73.5 | 78% | 0.779 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 23.1 | -164.8 | 70.7 | 0 | 0 | 0 | 0 | 116.9 | H979 | H979-T981 VanDerWaalsContact C-N 3.27Å; H979-T981 PolarHBondContact O-N 2.92Å |
| 982 | N | 51.9 | Low | 62.5 | Low | 162 Ų | 162 | 74.4 Ų | 74.4 | 87% | 0.866 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.3 | 13.6 | -175.1 | -110.4 | -16.2 | 0 | 0 | 0 | 115.2 | A980 | A980-N982 PolarHBondContact O-N 3.22Š|
| 983 | V | 57.8 | Low | 62.4 | Low | 57 Ų | 57 | 73.4 Ų | 73.4 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | trans | -115.4 | 120.9 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | C985 F996 | V983-C985 PolarHBondContact O-N 2.9Å; V983-F996 HydrophobicContact CB-CB 4.27Å; V983-F996 HydrophobicContact CG1-CB 4.28Å; V983-F996 HydrophobicContact CG2-CB 4.14Å; V983-F996 HydrophobicContact CG2-CD1 4.1Å; V983-F996 HydrophobicContact CG2-CG 4.21Å | ||
| 984 | N | 63.6 | Low | 62.4 | Low | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | trans | -89.3 | 91.4 | 176.8 | -168.9 | -1.3 | 0 | 0 | 0 | 110.3 | L986 T987 | N984-L986 VanDerWaalsContact C-N 3.28Å; N984-L986 PolarHBondContact O-N 3.16Å; N984-T987 PolarHBondContact O-N 2.89Å; N984-T987 PolarHBondContact O-OG1 2.8Å | ||
| 985 | C | 62.8 | Low | 61.9 | Low | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.02 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -60.9 | -32.9 | -169.9 | -60.7 | 0 | 0 | 0 | 0 | 114 | L975 V983 T987 N988 L992 F996 C997 | L975-C985 HydrophobicContact CD1-CB 3.8Å; L975-C985 HydrophobicContact CD2-CB 4.14Å; V983-C985 PolarHBondContact O-N 2.9Å; C985-T987 PolarHBondContact O-N 3.13Å; C985-N988 CarbonylContact O-C 3.56Å; C985-N988 PolarHBondContact O-N 3.33Å; C985-N988 VanDerWaalsContact O-N 3.15Å; C985-L992 HydrophobicContact CB-CD2 4.39Å; C985-F996 PolarHBondContact SG-O 3.35Å; C985-F996 VanDerWaalsContact SG-O 3.41Å; C985-C997 VanDerWaalsContact CA-SG 3.54Å; C985-C997 HydrophobicContact CB-CB 3.54Å; C985-C997 WeakPolarHBondContact CB-SG 3.4Å; C985-C997 VanDerWaalsContact SG-CA 3.57Å; C985-C997 WeakPolarHBondContact SG-CB 3.35Å; C985-C997 CovalentContact SG-SG 2.02Å; C985-C997 PolarHBondContact SG-SG 3.4Å |
| 986 | L | 60 | Low | 62.1 | Low | 139 Ų | 139 | 79.5 Ų | 79.5 | 73% | 0.728 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -61 | -24.3 | 173.9 | -72.5 | 161.8 | 0 | 0 | 0 | 113.2 | N984 | N984-L986 VanDerWaalsContact C-N 3.28Å; N984-L986 PolarHBondContact O-N 3.16Å |
| 987 | T | 57.5 | Low | 62.5 | Low | 108 Ų | 108 | 72.9 Ų | 72.9 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -96 | -4.2 | 179 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | N984 C985 | N984-T987 PolarHBondContact O-N 2.89Å; N984-T987 PolarHBondContact O-OG1 2.8Å; C985-T987 PolarHBondContact O-N 3.13Å |
| 988 | N | 56.6 | Low | 63 | Low | 70 Ų | 70 | 71 Ų | 71 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | trans | -138.1 | 81.7 | 179 | -176.5 | 9.2 | 0 | 0 | 0 | 110.9 | C985 Q990 S991 | C985-N988 CarbonylContact O-C 3.56Å; C985-N988 PolarHBondContact O-N 3.33Å; C985-N988 VanDerWaalsContact O-N 3.15Å; N988-Q990 PolarHBondContact O-N 3.25Å; N988-Q990 VanDerWaalsContact O-N 3.15Å; N988-Q990 PolarHBondContact OD1-N 2.77Å; N988-S991 WeakPolarHBondContact O-CB 3.43Å; N988-S991 PolarHBondContact O-N 3.08Å; N988-S991 PolarHBondContact O-OG 3.01Å | ||
| 989 | P | 58.6 | Low | 64.1 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -62 | -22.3 | -178.4 | 23.9 | -33.4 | 0 | 0 | 0 | 113.9 | S991 L992 | P989-S991 PolarHBondContact O-N 2.04Å; P989-L992 HydrophobicContact CB-CD1 4.16Å; P989-L992 WeakPolarHBondContact O-CB 3.46Å; P989-L992 PolarHBondContact O-N 2.89Å |
| 990 | Q | 57.2 | Low | 65.8 | Low | 174 Ų | 174 | 62.7 Ų | 62.7 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -68.9 | -12.7 | 172 | -66.8 | -175.8 | -12.3 | 0 | 0 | 113.6 | N988 | N988-Q990 PolarHBondContact O-N 3.25Å; N988-Q990 VanDerWaalsContact O-N 3.15Å; N988-Q990 PolarHBondContact OD1-N 2.77Å |
| 991 | S | 63.2 | Low | 67.5 | Low | 8 Ų | 8 | 61.2 Ų | 61.2 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -94.7 | -13.1 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 114 | N988 P989 T994 C997 | N988-S991 WeakPolarHBondContact O-CB 3.43Å; N988-S991 PolarHBondContact O-N 3.08Å; N988-S991 PolarHBondContact O-OG 3.01Å; P989-S991 PolarHBondContact O-N 2.04Å; S991-T994 VanDerWaalsContact O-CB 3.28Å; S991-T994 WeakPolarHBondContact O-CB 3.35Å; S991-T994 WeakPolarHBondContact O-CG2 3.45Å; S991-T994 PolarHBondContact O-N 2.78Å; S991-T994 PolarHBondContact O-OG1 2.63Å; S991-C997 VanDerWaalsContact O-CB 3.29Å; S991-C997 WeakPolarHBondContact O-CB 3.1Å; S991-C997 PolarHBondContact OG-SG 2.98Å |
| 992 | L | 69.5 | Low | 69.3 | Low | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 136.6 | 173.4 | -66.5 | 169.8 | 0 | 0 | 0 | 110.1 | C985 P989 T994 C997 V999 | C985-L992 HydrophobicContact CB-CD2 4.39Å; P989-L992 HydrophobicContact CB-CD1 4.16Å; P989-L992 WeakPolarHBondContact O-CB 3.46Å; P989-L992 PolarHBondContact O-N 2.89Å; L992-T994 VanDerWaalsContact C-N 3.25Å; L992-T994 PolarHBondContact O-N 2.7Å; L992-C997 HydrophobicContact CD2-CB 4.44Å; L992-V999 HydrophobicContact CB-CG1 4.2Å; L992-V999 HydrophobicContact CD2-CG1 3.89Å |
| 993 | G | 73.7 | Confident | 70.8 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 19.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C997 Y1109 K1110 | G993-C997 PolarHBondContact N-O 2.93Å; G993-Y1109 CarbonylContact O-C 3.49Å; G993-Y1109 VanDerWaalsContact O-CA 3.32Å; G993-Y1109 WeakPolarHBondContact O-CA 3.48Å; G993-K1110 PolarHBondContact O-N 3.3Å |
| 994 | T | 75.2 | Confident | 71.6 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -111.5 | 168.5 | 167.6 | 76.8 | 0 | 0 | 0 | 0 | 111 | S991 L992 F996 C997 Y1109 | S991-T994 VanDerWaalsContact O-CB 3.28Å; S991-T994 WeakPolarHBondContact O-CB 3.35Å; S991-T994 WeakPolarHBondContact O-CG2 3.45Å; S991-T994 PolarHBondContact O-N 2.78Å; S991-T994 PolarHBondContact O-OG1 2.63Å; L992-T994 VanDerWaalsContact C-N 3.25Å; L992-T994 PolarHBondContact O-N 2.7Å; T994-F996 PolarHBondContact O-N 2.88Å; T994-C997 CarbonylContact O-C 3.55Å; T994-C997 PolarHBondContact O-N 3.3Å; T994-Y1109 VanDerWaalsContact C-CB 3.4Å; T994-Y1109 WeakPolarHBondContact O-CB 3.46Å |
| 995 | I | 71.5 | Confident | 72.1 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 34% | 0.344 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -16.6 | -178.1 | -166.9 | 163.2 | 0 | 0 | 0 | 115.2 | Y1109 | I995-Y1109 VanDerWaalsContact CA-CD2 3.45Å; I995-Y1109 HydrophobicContact CB-CD2 3.75Å; I995-Y1109 HydrophobicContact CB-CE2 3.68Å; I995-Y1109 HydrophobicContact CD1-CE2 3.95Å; I995-Y1109 HydrophobicContact CG1-CD2 4.17Å; I995-Y1109 HydrophobicContact CG1-CE2 3.57Å |
| 996 | F | 73.8 | Confident | 72.7 | Confident | 111 Ų | 111 | 42.8 Ų | 42.8 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -19.6 | 174.6 | -58.4 | -71 | 0 | 0 | 0 | 113.7 | A980 V983 C985 T994 | A980-F996 HydrophobicContact CB-CB 4.38Å; A980-F996 HydrophobicContact CB-CD1 4.13Å; V983-F996 HydrophobicContact CB-CB 4.27Å; V983-F996 HydrophobicContact CG1-CB 4.28Å; V983-F996 HydrophobicContact CG2-CB 4.14Å; V983-F996 HydrophobicContact CG2-CD1 4.1Å; V983-F996 HydrophobicContact CG2-CG 4.21Å; C985-F996 PolarHBondContact SG-O 3.35Å; C985-F996 VanDerWaalsContact SG-O 3.41Å; T994-F996 PolarHBondContact O-N 2.88Å |
| 997 | C | 76.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -146.4 | 70.9 | -172.6 | -51.6 | 0 | 0 | 0 | 0 | 111 | L975 C985 S991 L992 G993 T994 | L975-C997 HydrophobicContact CD1-CB 4.09Å; C985-C997 VanDerWaalsContact CA-SG 3.54Å; C985-C997 HydrophobicContact CB-CB 3.54Å; C985-C997 WeakPolarHBondContact CB-SG 3.4Å; C985-C997 VanDerWaalsContact SG-CA 3.57Å; C985-C997 WeakPolarHBondContact SG-CB 3.35Å; C985-C997 CovalentContact SG-SG 2.02Å; C985-C997 PolarHBondContact SG-SG 3.4Å; S991-C997 VanDerWaalsContact O-CB 3.29Å; S991-C997 WeakPolarHBondContact O-CB 3.1Å; S991-C997 PolarHBondContact OG-SG 2.98Å; L992-C997 HydrophobicContact CD2-CB 4.44Å; G993-C997 PolarHBondContact N-O 2.93Å; T994-C997 CarbonylContact O-C 3.55Å; T994-C997 PolarHBondContact O-N 3.3Å |
| 998 | P | 80.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -61.4 | 147.4 | 171 | 28.5 | -38.5 | 0 | 0 | 0 | 112.3 | F943 C974 T978 S1108 Y1109 | F943-P998 HydrophobicContact CE1-CB 4.43Å; F943-P998 HydrophobicContact CZ-CB 4.01Å; F943-P998 HydrophobicContact CZ-CG 4.5Å; C974-P998 WeakPolarHBondContact O-CG 3.32Å; T978-P998 HydrophobicContact CG2-CG 3.89Å; T978-P998 VanDerWaalsContact OG1-CD 3.24Å; T978-P998 WeakPolarHBondContact OG1-CD 3.35Å; T978-P998 WeakPolarHBondContact OG1-CG 3.45Å; P998-S1108 WeakPolarHBondContact CA-O 3.07Å; P998-Y1109 HydrophobicContact CB-CD1 3.94Å | ||
| 999 | V | 85.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 167 | -172.2 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | L992 A1001 E1044 D1045 C1107 S1108 | L992-V999 HydrophobicContact CB-CG1 4.2Å; L992-V999 HydrophobicContact CD2-CG1 3.89Å; V999-A1001 PolarHBondContact O-N 3.49Å; V999-E1044 HydrophobicContact CB-CB 3.93Å; V999-E1044 HydrophobicContact CG2-CB 4.4Å; V999-D1045 HydrophobicContact CG2-CB 3.79Å; V999-C1107 CarbonylContact O-C 3.43Å; V999-C1107 VanDerWaalsContact O-CA 3.24Å; V999-C1107 WeakPolarHBondContact O-CA 3.23Å; V999-S1108 PolarHBondContact N-O 3.33Å; V999-S1108 VanDerWaalsContact N-O 3.09Å; V999-S1108 PolarHBondContact O-N 3.25Å |
| 1000 | I | 87.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.5 | 178.3 | -56.5 | 178 | 0 | 0 | 0 | 110 | I970 C974 V1028 G1029 E1044 I1106 | I970-I1000 HydrophobicContact CB-CD1 4.45Å; I970-I1000 HydrophobicContact CG2-CD1 3.92Å; C974-I1000 VanDerWaalsContact SG-CG1 3.56Å; I1000-V1028 VanDerWaalsContact CG2-C 3.44Å; I1000-G1029 WeakPolarHBondContact O-CA 3.03Å; I1000-E1044 WeakPolarHBondContact CB-OE2 3.26Å; I1000-E1044 WeakPolarHBondContact CG1-OE2 3.37Å; I1000-E1044 PolarHBondContact N-OE2 3.25Å; I1000-I1106 CarbonylContact C-O 3.55Å; I1000-I1106 VanDerWaalsContact CA-O 3.28Å; I1000-I1106 WeakPolarHBondContact CA-O 3.39Å; I1000-I1106 VanDerWaalsContact CG2-O 3.24Å; I1000-I1106 WeakPolarHBondContact CG2-O 3.43Å |
| 1001 | A | 87.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -72.4 | 137.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y951 V999 M1012 G1029 I1106 S1108 | Y951-A1001 HydrophobicContact CD1-CB 4.04Å; Y951-A1001 HydrophobicContact CE1-CB 4.33Å; V999-A1001 PolarHBondContact O-N 3.49Å; A1001-M1012 HydrophobicContact CB-CE 3.83Å; A1001-M1012 HydrophobicContact CB-SD 4.24Å; A1001-G1029 PolarHBondContact O-N 3.38Å; A1001-I1106 HydrophobicContact CB-CB 4.06Å; A1001-I1106 HydrophobicContact CB-CG2 3.8Å; A1001-I1106 PolarHBondContact N-O 3.2Å; A1001-S1108 WeakPolarHBondContact CA-OG 3.3Å; A1001-S1108 WeakPolarHBondContact CB-OG 3.48Å | ||
| 1002 | T | 85.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -119.2 | 124.7 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 108.6 | Q1004 G1029 L1030 S1043 | T1002-Q1004 PolarHBondContact O-NE2 3.19Å; T1002-G1029 WeakPolarHBondContact OG1-CA 3.38Å; T1002-L1030 HydrophobicContact CG2-CD2 3.53Å; T1002-L1030 HydrophobicContact CG2-CG 3.85Å; T1002-S1043 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 1003 | P | 83 | Confident | 81 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -75.5 | 128.9 | 179.1 | 29.4 | -32.2 | 0 | 0 | 0 | 110.8 | E1008 A1009 M1012 I1056 I1094 | P1003-E1008 HydrophobicContact CB-CB 4.4Å; P1003-E1008 HydrophobicContact CB-CG 4.32Å; P1003-A1009 HydrophobicContact CB-CB 3.92Å; P1003-A1009 HydrophobicContact CG-CB 4.38Å; P1003-M1012 HydrophobicContact CB-SD 3.78Å; P1003-M1012 HydrophobicContact CG-SD 4.25Å; P1003-I1056 HydrophobicContact CB-CD1 3.92Å; P1003-I1056 HydrophobicContact CG-CD1 4.04Å; P1003-I1094 HydrophobicContact CG-CD1 3.64Å | ||
| 1004 | Q | 74.5 | Confident | 81.3 | Confident | 21 Ų | 21 | 15.6 Ų | 15.6 | 10% | 0.098 | 8% | 0.08 | C | C | . | . | trans | -93.2 | -18.7 | 178.9 | -49.3 | -53 | -53.6 | 0 | 0 | 112.8 | T1002 E1008 S1047 N1054 L1055 | T1002-Q1004 PolarHBondContact O-NE2 3.19Å; Q1004-E1008 VanDerWaalsContact CB-OE2 3.27Å; Q1004-E1008 WeakPolarHBondContact CB-OE2 3.49Å; Q1004-E1008 VanDerWaalsContact CG-OE2 3.3Å; Q1004-E1008 WeakPolarHBondContact CG-OE2 3.26Å; Q1004-E1008 PolarHBondContact N-OE2 2.77Å; Q1004-S1047 VanDerWaalsContact CD-CB 3.45Å; Q1004-S1047 VanDerWaalsContact NE2-CB 3.29Å; Q1004-S1047 PolarHBondContact NE2-OG 3.06Å; Q1004-S1047 PolarHBondContact OE1-OG 3.37Å; Q1004-N1054 PolarHBondContact OE1-ND2 3.05Å; Q1004-N1054 PolarHBondContact OE1-OD1 3.27Å; Q1004-L1055 PolarHBondContact O-N 3.21Å | ||
| 1005 | S | 75.2 | Confident | 81.7 | Confident | 16 Ų | 16 | 13.6 Ų | 13.6 | 11% | 0.112 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -143.8 | 158.2 | -176 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | V1007 E1008 A1009 | S1005-V1007 PolarHBondContact O-N 3.23Å; S1005-E1008 PolarHBondContact O-N 2.74Å; S1005-E1008 VanDerWaalsContact O-N 3.07Å; S1005-E1008 WeakPolarHBondContact OG-CB 3.4Å; S1005-E1008 PolarHBondContact OG-N 2.78Å; S1005-E1008 VanDerWaalsContact OG-N 3.13Å; S1005-A1009 PolarHBondContact O-N 2.98Å |
| 1006 | P | 75.4 | Confident | 82.3 | Confident | 24 Ų | 24 | 10.4 Ų | 10.4 | 16% | 0.156 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.5 | -32 | 172.9 | -25.9 | 35.2 | 0 | 0 | 0 | 113.3 | I898 A1010 | I898-P1006 HydrophobicContact CG2-CB 4.1Å; P1006-A1010 WeakPolarHBondContact O-CB 3.34Å; P1006-A1010 PolarHBondContact O-N 3.2Å |
| 1007 | V | 82.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.5 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | V843 D846 I898 F946 S1005 A1010 F1011 | V843-V1007 HydrophobicContact CG2-CG1 4.37Å; D846-V1007 HydrophobicContact CB-CG1 3.74Å; I898-V1007 HydrophobicContact CD1-CG2 3.7Å; I898-V1007 HydrophobicContact CG1-CG2 4.31Å; I898-V1007 HydrophobicContact CG2-CG2 3.7Å; F946-V1007 HydrophobicContact CE1-CG1 4.25Å; F946-V1007 HydrophobicContact CZ-CG1 3.66Å; S1005-V1007 PolarHBondContact O-N 3.23Å; V1007-A1010 WeakPolarHBondContact O-CB 3.47Å; V1007-A1010 PolarHBondContact O-N 2.98Å; V1007-F1011 PolarHBondContact O-N 3.33Å |
| 1008 | E | 84.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 8.2 Ų | 8.2 | 8% | 0.075 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68 | -36.9 | 179.1 | -172.7 | 175.9 | -174.9 | 0 | 0 | 111.7 | Y951 P1003 Q1004 S1005 A1010 F1011 M1012 | Y951-E1008 HydrophobicContact CE1-CG 4.36Å; Y951-E1008 WeakPolarHBondContact CE1-OE1 3.45Å; Y951-E1008 VanDerWaalsContact OH-CD 3.23Å; Y951-E1008 PolarHBondContact OH-OE1 2.98Å; P1003-E1008 HydrophobicContact CB-CB 4.4Å; P1003-E1008 HydrophobicContact CB-CG 4.32Å; Q1004-E1008 VanDerWaalsContact CB-OE2 3.27Å; Q1004-E1008 WeakPolarHBondContact CB-OE2 3.49Å; Q1004-E1008 VanDerWaalsContact CG-OE2 3.3Å; Q1004-E1008 WeakPolarHBondContact CG-OE2 3.26Å; Q1004-E1008 PolarHBondContact N-OE2 2.77Å; S1005-E1008 PolarHBondContact O-N 2.74Å; S1005-E1008 VanDerWaalsContact O-N 3.07Å; S1005-E1008 WeakPolarHBondContact OG-CB 3.4Å; S1005-E1008 PolarHBondContact OG-N 2.78Å; S1005-E1008 VanDerWaalsContact OG-N 3.13Å; E1008-A1010 VanDerWaalsContact C-N 3.32Å; E1008-A1010 PolarHBondContact O-N 2.97Å; E1008-F1011 PolarHBondContact O-N 3.21Å; E1008-M1012 HydrophobicContact CG-SD 4.27Å; E1008-M1012 WeakPolarHBondContact O-CB 3.39Å; E1008-M1012 VanDerWaalsContact O-CG 3.3Å; E1008-M1012 WeakPolarHBondContact O-CG 3.44Å; E1008-M1012 PolarHBondContact O-N 3.32Å |
| 1009 | A | 84.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1003 S1005 M1012 R1013 I1056 M1086 L1093 | P1003-A1009 HydrophobicContact CB-CB 3.92Å; P1003-A1009 HydrophobicContact CG-CB 4.38Å; S1005-A1009 PolarHBondContact O-N 2.98Å; A1009-M1012 PolarHBondContact O-N 3.31Å; A1009-R1013 PolarHBondContact O-N 2.91Å; A1009-I1056 HydrophobicContact CB-CD1 4.25Å; A1009-M1086 HydrophobicContact CB-SD 4.05Å; A1009-L1093 HydrophobicContact CB-CD2 4.04Å |
| 1010 | A | 84.4 | Confident | 81 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D839 T842 V843 P1006 V1007 E1008 M1012 R1013 L1014 | D839-A1010 HydrophobicContact CB-CB 4.13Å; T842-A1010 HydrophobicContact CG2-CB 4.06Å; V843-A1010 HydrophobicContact CG2-CB 4.02Å; P1006-A1010 WeakPolarHBondContact O-CB 3.34Å; P1006-A1010 PolarHBondContact O-N 3.2Å; V1007-A1010 WeakPolarHBondContact O-CB 3.47Å; V1007-A1010 PolarHBondContact O-N 2.98Å; E1008-A1010 VanDerWaalsContact C-N 3.32Å; E1008-A1010 PolarHBondContact O-N 2.97Å; A1010-M1012 PolarHBondContact O-N 2.96Å; A1010-R1013 PolarHBondContact O-N 2.03Å; A1010-L1014 WeakPolarHBondContact O-CB 3.1Å; A1010-L1014 PolarHBondContact O-N 3.08Å |
| 1011 | F | 87 | Confident | 79.8 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 173.1 | 178.3 | -94.1 | 0 | 0 | 0 | 111.7 | V843 L934 F946 Y951 V1007 E1008 L1014 L1015 | V843-F1011 HydrophobicContact CG1-CD2 4.27Å; V843-F1011 HydrophobicContact CG2-CB 3.74Å; L934-F1011 HydrophobicContact CD2-CD2 4.39Å; L934-F1011 HydrophobicContact CD2-CE2 3.48Å; L934-F1011 VanDerWaalsContact CD2-CE2 3.48Å; L934-F1011 HydrophobicContact CD2-CZ 3.7Å; F946-F1011 HydrophobicContact CB-CD1 3.91Å; F946-F1011 HydrophobicContact CB-CD2 3.78Å; F946-F1011 HydrophobicContact CB-CE1 3.71Å; F946-F1011 HydrophobicContact CB-CE2 3.55Å; F946-F1011 HydrophobicContact CB-CG 3.96Å; F946-F1011 HydrophobicContact CB-CZ 3.53Å; F946-F1011 HydrophobicContact CD1-CB 4.04Å; F946-F1011 HydrophobicContact CD1-CD1 4.11Å; F946-F1011 HydrophobicContact CD1-CD2 4.23Å; F946-F1011 AromaticContact CD1-CG 3.85Å; F946-F1011 HydrophobicContact CD1-CG 3.85Å; F946-F1011 AromaticContact CD2-CD2 3.91Å; F946-F1011 HydrophobicContact CD2-CD2 3.91Å; F946-F1011 HydrophobicContact CD2-CE2 4.26Å; F946-F1011 HydrophobicContact CD2-CG 4.35Å; F946-F1011 HydrophobicContact CE1-CB 4.25Å; F946-F1011 HydrophobicContact CG-CB 4.34Å; F946-F1011 HydrophobicContact CG-CD1 4.12Å; F946-F1011 AromaticContact CG-CD2 3.68Å; F946-F1011 HydrophobicContact CG-CD2 3.68Å; F946-F1011 HydrophobicContact CG-CE1 4.4Å; F946-F1011 AromaticContact CG-CE2 3.98Å; F946-F1011 HydrophobicContact CG-CE2 3.98Å; F946-F1011 AromaticContact CG-CG 3.77Å; F946-F1011 HydrophobicContact CG-CG 3.77Å; F946-F1011 HydrophobicContact CG-CZ 4.34Å; Y951-F1011 HydrophobicContact CD2-CD1 4.15Å; Y951-F1011 AromaticContact CD2-CE1 3.48Å; Y951-F1011 HydrophobicContact CD2-CE1 3.48Å; Y951-F1011 VanDerWaalsContact CD2-CE1 3.48Å; Y951-F1011 HydrophobicContact CD2-CZ 4.31Å; Y951-F1011 HydrophobicContact CE2-CD1 4.32Å; Y951-F1011 HydrophobicContact CE2-CE1 4.03Å; Y951-F1011 HydrophobicContact CG-CD1 4.39Å; Y951-F1011 AromaticContact CG-CE1 3.8Å; Y951-F1011 HydrophobicContact CG-CE1 3.8Å; V1007-F1011 PolarHBondContact O-N 3.33Å; E1008-F1011 PolarHBondContact O-N 3.21Å; F1011-L1014 PolarHBondContact O-N 3.12Å; F1011-L1015 HydrophobicContact CE1-CB 4.48Å; F1011-L1015 HydrophobicContact CE1-CD2 4.11Å; F1011-L1015 VanDerWaalsContact O-CB 3.26Å; F1011-L1015 WeakPolarHBondContact O-CB 3.29Å; F1011-L1015 PolarHBondContact O-N 2.02Å |
| 1012 | M | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 178.1 | -77.6 | 176.3 | 63.6 | 0 | 0 | 112.3 | Y951 A1001 P1003 E1008 A1009 A1010 S1016 V1028 M1086 I1106 | Y951-M1012 HydrophobicContact CD1-CG 4.4Å; Y951-M1012 HydrophobicContact CE1-CG 4.43Å; A1001-M1012 HydrophobicContact CB-CE 3.83Å; A1001-M1012 HydrophobicContact CB-SD 4.24Å; P1003-M1012 HydrophobicContact CB-SD 3.78Å; P1003-M1012 HydrophobicContact CG-SD 4.25Å; E1008-M1012 HydrophobicContact CG-SD 4.27Å; E1008-M1012 WeakPolarHBondContact O-CB 3.39Å; E1008-M1012 VanDerWaalsContact O-CG 3.3Å; E1008-M1012 WeakPolarHBondContact O-CG 3.44Å; E1008-M1012 PolarHBondContact O-N 3.32Å; A1009-M1012 PolarHBondContact O-N 3.31Å; A1010-M1012 PolarHBondContact O-N 2.96Å; M1012-S1016 VanDerWaalsContact O-CB 3.31Å; M1012-S1016 WeakPolarHBondContact O-CB 3.3Å; M1012-S1016 PolarHBondContact O-N 2.8Å; M1012-V1028 HydrophobicContact CE-CG1 3.91Å; M1012-M1086 HydrophobicContact CB-CE 3.65Å; M1012-I1106 HydrophobicContact CB-CD1 3.68Å; M1012-I1106 HydrophobicContact CE-CB 4.28Å; M1012-I1106 HydrophobicContact CE-CD1 3.89Å; M1012-I1106 HydrophobicContact CE-CG1 4.49Å; M1012-I1106 HydrophobicContact CG-CD1 4.05Å; M1012-I1106 WeakPolarHBondContact O-CD1 3.12Å |
| 1013 | R | 85.1 | Confident | 77.4 | Confident | 11 Ų | 11 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 172 | -75.1 | -172.2 | -63.9 | -88.7 | 0.7 | 111.6 | D839 A1009 A1010 L1015 S1016 K1017 M1086 S1087 | D839-R1013 VanDerWaalsContact CG-NE 3.33Å; D839-R1013 IonicContact OD1-CZ 3.95Å; D839-R1013 IonicContact OD1-NE 2.63Å; D839-R1013 PolarHBondContact OD1-NE 3.31Å; D839-R1013 IonicContact OD1-NH2 2.79Å; D839-R1013 PolarHBondContact OD1-NH2 2.83Å; D839-R1013 WeakPolarHBondContact OD2-CB 3.35Å; D839-R1013 IonicContact OD2-NE 3.85Å; D839-R1013 PolarHBondContact OD2-NE 2.79Å; D839-R1013 VanDerWaalsContact OD2-NE 3.09Å; A1009-R1013 PolarHBondContact O-N 2.91Å; A1010-R1013 PolarHBondContact O-N 2.03Å; R1013-L1015 VanDerWaalsContact C-N 3.35Å; R1013-L1015 PolarHBondContact O-N 2.87Å; R1013-S1016 WeakPolarHBondContact O-CB 3.49Å; R1013-S1016 PolarHBondContact O-N 3.41Å; R1013-K1017 WeakPolarHBondContact O-CG 3.37Å; R1013-K1017 PolarHBondContact O-N 2.82Å; R1013-M1086 HydrophobicContact CB-CE 4.4Å; R1013-M1086 HydrophobicContact CG-CE 3.53Å; R1013-M1086 HydrophobicContact CG-CG 4.23Å; R1013-M1086 HydrophobicContact CG-SD 3.77Å; R1013-S1087 VanDerWaalsContact CD-O 3.24Å; R1013-S1087 WeakPolarHBondContact CD-O 3.47Å |
| 1014 | L | 81.1 | Confident | 76.7 | Confident | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 179.6 | -176.1 | 69 | 0 | 0 | 0 | 111.9 | V796 D839 M933 A1010 F1011 K1017 T1018 | V796-L1014 HydrophobicContact CG1-CD1 4.47Å; D839-L1014 HydrophobicContact CB-CB 4.48Å; M933-L1014 HydrophobicContact CE-CD2 3.86Å; M933-L1014 HydrophobicContact SD-CD2 4.15Å; A1010-L1014 WeakPolarHBondContact O-CB 3.1Å; A1010-L1014 PolarHBondContact O-N 3.08Å; F1011-L1014 PolarHBondContact O-N 3.12Å; L1014-K1017 PolarHBondContact O-N 3.32Å; L1014-T1018 WeakPolarHBondContact O-CB 3.02Å; L1014-T1018 PolarHBondContact O-N 2.87Å; L1014-T1018 VanDerWaalsContact O-N 3.08Å; L1014-T1018 PolarHBondContact O-OG1 3.03Å |
| 1015 | L | 84.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.8 | 178.5 | 67.3 | 0 | 0 | 0 | 111.4 | L934 Y944 V953 F1011 R1013 T1018 I1019 I1106 | L934-L1015 HydrophobicContact CD1-CD1 3.93Å; L934-L1015 HydrophobicContact CD2-CB 4.47Å; L934-L1015 HydrophobicContact CD2-CD1 3.99Å; Y944-L1015 HydrophobicContact CD2-CD1 3.64Å; Y944-L1015 HydrophobicContact CE2-CD1 4.28Å; Y944-L1015 HydrophobicContact CG-CD1 4.23Å; V953-L1015 HydrophobicContact CG2-CD2 4.12Å; V953-L1015 HydrophobicContact CG2-CG 3.81Å; F1011-L1015 HydrophobicContact CE1-CB 4.48Å; F1011-L1015 HydrophobicContact CE1-CD2 4.11Å; F1011-L1015 VanDerWaalsContact O-CB 3.26Å; F1011-L1015 WeakPolarHBondContact O-CB 3.29Å; F1011-L1015 PolarHBondContact O-N 2.02Å; R1013-L1015 VanDerWaalsContact C-N 3.35Å; R1013-L1015 PolarHBondContact O-N 2.87Å; L1015-T1018 PolarHBondContact O-N 3.15Å; L1015-I1019 HydrophobicContact CD1-CD1 3.57Å; L1015-I1019 HydrophobicContact CD1-CG1 4.4Å; L1015-I1019 HydrophobicContact CG-CD1 4.16Å; L1015-I1019 PolarHBondContact O-N 2.8Å; L1015-I1019 VanDerWaalsContact O-N 3.14Å; L1015-I1106 HydrophobicContact CD2-CG2 4.15Å |
| 1016 | S | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57 | -50.5 | 177 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | M1012 R1013 T1018 I1019 S1020 I1026 I1088 | M1012-S1016 VanDerWaalsContact O-CB 3.31Å; M1012-S1016 WeakPolarHBondContact O-CB 3.3Å; M1012-S1016 PolarHBondContact O-N 2.8Å; R1013-S1016 WeakPolarHBondContact O-CB 3.49Å; R1013-S1016 PolarHBondContact O-N 3.41Å; S1016-T1018 VanDerWaalsContact C-N 3.28Å; S1016-T1018 PolarHBondContact O-N 2.9Å; S1016-I1019 PolarHBondContact O-N 3.26Å; S1016-S1020 CarbonylContact O-C 3.56Å; S1016-S1020 PolarHBondContact O-N 3Å; S1016-I1026 VanDerWaalsContact OG-CD1 3.28Å; S1016-I1026 WeakPolarHBondContact OG-CD1 3.45Å; S1016-I1088 VanDerWaalsContact OG-CD1 3.22Å; S1016-I1088 WeakPolarHBondContact OG-CD1 3.31Å |
| 1017 | K | 75 | Confident | 77.9 | Confident | 13 Ų | 13 | 26 Ų | 26 | 6% | 0.057 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -32.7 | 177.4 | -64.3 | 176.7 | -168.5 | 179.7 | 0 | 114 | Y781 N835 E836 D839 R1013 L1014 I1088 | Y781-K1017 PolarHBondContact OH-O 3.42Å; N835-K1017 VanDerWaalsContact CG-NZ 3.33Å; N835-K1017 PolarHBondContact ND2-NZ 2.87Å; N835-K1017 PolarHBondContact OD1-NZ 3.34Å; E836-K1017 HydrophobicContact CG-CD 3.62Å; E836-K1017 VanDerWaalsContact OE1-CD 3.26Å; E836-K1017 WeakPolarHBondContact OE1-CD 3.37Å; E836-K1017 VanDerWaalsContact OE1-CE 3.26Å; E836-K1017 WeakPolarHBondContact OE1-CE 3.33Å; E836-K1017 IonicContact OE1-NZ 3.18Å; E836-K1017 PolarHBondContact OE1-NZ 3.38Å; D839-K1017 IonicContact OD2-NZ 3.15Å; D839-K1017 PolarHBondContact OD2-NZ 2.91Å; R1013-K1017 WeakPolarHBondContact O-CG 3.37Å; R1013-K1017 PolarHBondContact O-N 2.82Å; L1014-K1017 PolarHBondContact O-N 3.32Å; K1017-I1088 HydrophobicContact CD-CG2 3.96Å; K1017-I1088 VanDerWaalsContact CE-CG2 3.44Å; K1017-I1088 WeakPolarHBondContact CE-O 3.21Å; K1017-I1088 HydrophobicContact CG-CG2 3.3Å; K1017-I1088 PolarHBondContact NZ-O 2.99Å; K1017-I1088 VanDerWaalsContact NZ-O 3.09Å |
| 1018 | T | 71.6 | Confident | 78.1 | Confident | 53 Ų | 53 | 26 Ų | 26 | 33% | 0.325 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -82.2 | -17.7 | -176.3 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | Y781 L934 L1014 L1015 S1016 | Y781-T1018 VanDerWaalsContact OH-C 3.29Å; Y781-T1018 PolarHBondContact OH-O 2.97Å; L934-T1018 HydrophobicContact CD1-CG2 3.79Å; L1014-T1018 WeakPolarHBondContact O-CB 3.02Å; L1014-T1018 PolarHBondContact O-N 2.87Å; L1014-T1018 VanDerWaalsContact O-N 3.08Å; L1014-T1018 PolarHBondContact O-OG1 3.03Å; L1015-T1018 PolarHBondContact O-N 3.15Å; S1016-T1018 VanDerWaalsContact C-N 3.28Å; S1016-T1018 PolarHBondContact O-N 2.9Å |
| 1019 | I | 73.5 | Confident | 78.1 | Confident | 70 Ų | 70 | 25.2 Ų | 25.2 | 36% | 0.359 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -106.6 | -33.5 | 176.6 | -60.3 | 174.4 | 0 | 0 | 0 | 111.2 | Y944 V953 L1015 S1016 | Y944-I1019 HydrophobicContact CD2-CD1 4.26Å; Y944-I1019 HydrophobicContact CE2-CD1 3.71Å; V953-I1019 HydrophobicContact CB-CB 3.99Å; V953-I1019 HydrophobicContact CB-CD1 3.88Å; V953-I1019 HydrophobicContact CB-CG2 3.9Å; V953-I1019 HydrophobicContact CG1-CB 4.32Å; V953-I1019 HydrophobicContact CG1-CG2 4.16Å; V953-I1019 HydrophobicContact CG2-CB 4.27Å; V953-I1019 HydrophobicContact CG2-CD1 3.84Å; L1015-I1019 HydrophobicContact CD1-CD1 3.57Å; L1015-I1019 HydrophobicContact CD1-CG1 4.4Å; L1015-I1019 HydrophobicContact CG-CD1 4.16Å; L1015-I1019 PolarHBondContact O-N 2.8Å; L1015-I1019 VanDerWaalsContact O-N 3.14Å; S1016-I1019 PolarHBondContact O-N 3.26Å |
| 1020 | S | 68.8 | Low | 78.2 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -140.7 | 89.9 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | S1016 T1022 S1023 E1104 | S1016-S1020 CarbonylContact O-C 3.56Å; S1016-S1020 PolarHBondContact O-N 3Å; S1020-T1022 PolarHBondContact O-N 3.35Å; S1020-T1022 PolarHBondContact OG-OG1 2.94Å; S1020-S1023 PolarHBondContact O-N 3.21Å; S1020-S1023 PolarHBondContact OG-OG 3.24Å; S1020-E1104 VanDerWaalsContact CB-CD 3.42Å; S1020-E1104 WeakPolarHBondContact CB-OE1 3.44Å; S1020-E1104 WeakPolarHBondContact CB-OE2 3.39Å; S1020-E1104 VanDerWaalsContact OG-CD 3.26Å; S1020-E1104 PolarHBondContact OG-OE1 3.4Å; S1020-E1104 PolarHBondContact OG-OE2 3Å | ||
| 1021 | P | 61.8 | Low | 77.9 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 20% | 0.195 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | 177.8 | 29.2 | -37.4 | 0 | 0 | 0 | 113.5 | Y781 Y1089 | Y781-P1021 HydrophobicContact CD1-CG 4.19Å; Y781-P1021 HydrophobicContact CD2-CB 3.86Å; Y781-P1021 HydrophobicContact CD2-CG 3.89Å; Y781-P1021 HydrophobicContact CE1-CG 3.96Å; Y781-P1021 HydrophobicContact CE2-CB 3.63Å; Y781-P1021 HydrophobicContact CE2-CG 3.64Å; Y781-P1021 HydrophobicContact CG-CG 4.15Å; P1021-Y1089 PolarHBondContact O-OH 3.16Å |
| 1022 | T | 58.1 | Low | 77.3 | Confident | 105 Ų | 105 | 25.8 Ų | 25.8 | 64% | 0.644 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -21.1 | -179.6 | 37.5 | 0 | 0 | 0 | 0 | 114.2 | S1020 | S1020-T1022 PolarHBondContact O-N 3.35Å; S1020-T1022 PolarHBondContact OG-OG1 2.94Å |
| 1023 | S | 65.6 | Low | 76.3 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 12% | 0.119 | 14% | 0.141 | C | C | . | . | trans | -77.9 | 140.9 | -176 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | S1020 I1088 Y1089 E1104 | S1020-S1023 PolarHBondContact O-N 3.21Å; S1020-S1023 PolarHBondContact OG-OG 3.24Å; S1023-I1088 VanDerWaalsContact CB-CD1 3.44Å; S1023-I1088 WeakPolarHBondContact O-CD1 3.47Å; S1023-Y1089 WeakPolarHBondContact O-CE2 3.37Å; S1023-E1104 VanDerWaalsContact CB-OE2 3.27Å; S1023-E1104 WeakPolarHBondContact CB-OE2 3.28Å; S1023-E1104 PolarHBondContact OG-OE1 3.15Å; S1023-E1104 PolarHBondContact OG-OE2 3.15Å | ||
| 1024 | R | 68.7 | Low | 75.1 | Confident | 186 Ų | 186 | 29 Ų | 29 | 70% | 0.702 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -102.7 | -26.7 | 175.7 | -65.2 | -173.5 | 180 | -170 | 0.3 | 114.2 | I1088 Y1089 | R1024-I1088 WeakPolarHBondContact O-CB 3.28Å; R1024-I1088 PolarHBondContact O-N 3.23Å; R1024-Y1089 HydrophobicContact CB-CD2 4.44Å; R1024-Y1089 HydrophobicContact CG-CD2 4.26Å; R1024-Y1089 HydrophobicContact CG-CE2 4.34Å |
| 1025 | S | 77.1 | Confident | 73.7 | Confident | 21 Ų | 21 | 30.8 Ų | 30.8 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 149 | 177 | -48 | 0 | 0 | 0 | 0 | 108.4 | M1086 | S1025-M1086 VanDerWaalsContact CA-O 3.23Å; S1025-M1086 WeakPolarHBondContact CA-O 3.3Å |
| 1026 | I | 85.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.7 | -178.3 | -163 | 153.2 | 0 | 0 | 0 | 111 | V953 S1016 V1028 T1085 M1086 I1088 E1104 I1106 | V953-I1026 HydrophobicContact CG1-CD1 4.16Å; S1016-I1026 VanDerWaalsContact OG-CD1 3.28Å; S1016-I1026 WeakPolarHBondContact OG-CD1 3.45Å; I1026-V1028 PolarHBondContact O-N 3.01Å; I1026-T1085 VanDerWaalsContact O-CA 3.28Å; I1026-T1085 WeakPolarHBondContact O-CA 3.42Å; I1026-M1086 HydrophobicContact CG2-CB 4.38Å; I1026-M1086 HydrophobicContact CG2-CE 4.09Å; I1026-M1086 PolarHBondContact N-O 2.95Å; I1026-M1086 PolarHBondContact O-N 3.43Å; I1026-I1088 HydrophobicContact CB-CD1 4.21Å; I1026-I1088 HydrophobicContact CB-CG1 4.5Å; I1026-I1088 HydrophobicContact CG2-CG1 4.44Å; I1026-E1104 HydrophobicContact CD1-CB 3.82Å; I1026-E1104 HydrophobicContact CG1-CB 3.92Å; I1026-E1104 WeakPolarHBondContact CG1-O 3.12Å; I1026-I1106 HydrophobicContact CD1-CD1 4.01Å; I1026-I1106 HydrophobicContact CD1-CG1 3.39Å; I1026-I1106 HydrophobicContact CG1-CG1 3.93Å; I1026-I1106 HydrophobicContact CG2-CD1 4.2Å; I1026-I1106 HydrophobicContact CG2-CG1 4.38Å |
| 1027 | W | 86.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.4 | 172.6 | -74.3 | 126.3 | 0 | 0 | 0 | 110.9 | R961 C1083 F1084 T1085 N1098 M1101 L1103 E1104 | R961-W1027 HydrophobicContact CG-CD2 3.66Å; R961-W1027 VanDerWaalsContact CG-CE2 3.49Å; R961-W1027 HydrophobicContact CG-CE3 4.26Å; R961-W1027 HydrophobicContact CG-CG 3.89Å; R961-W1027 HydrophobicContact CG-CZ2 4Å; W1027-C1083 HydrophobicContact CE3-CB 3.92Å; W1027-C1083 HydrophobicContact CH2-CB 3.63Å; W1027-C1083 HydrophobicContact CZ3-CB 3.23Å; W1027-F1084 VanDerWaalsContact CE3-O 3.27Å; W1027-T1085 HydrophobicContact CD2-CG2 4.28Å; W1027-T1085 HydrophobicContact CE3-CG2 3.63Å; W1027-T1085 HydrophobicContact CH2-CG2 4.04Å; W1027-T1085 HydrophobicContact CZ3-CG2 3.45Å; W1027-T1085 VanDerWaalsContact CZ3-CG2 3.45Å; W1027-N1098 WeakPolarHBondContact CH2-O 3.25Å; W1027-M1101 HydrophobicContact CH2-CB 4.48Å; W1027-M1101 HydrophobicContact CZ2-CB 3.99Å; W1027-M1101 VanDerWaalsContact CZ2-O 3.3Å; W1027-M1101 WeakPolarHBondContact CZ2-O 3Å; W1027-M1101 PolarHBondContact NE1-O 3.07Å; W1027-L1103 HydrophobicContact CD2-CD1 4.45Å; W1027-L1103 HydrophobicContact CG-CB 4.38Å; W1027-L1103 HydrophobicContact CZ2-CD1 4.19Å; W1027-E1104 VanDerWaalsContact CB-O 3.23Å; W1027-E1104 WeakPolarHBondContact CB-O 3.39Å; W1027-E1104 PolarHBondContact N-O 2.94Å |
| 1028 | V | 86.6 | Confident | 68.6 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 166.5 | 166 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | R961 I1000 M1012 I1026 L1030 F1084 M1086 I1094 | R961-V1028 PolarHBondContact NH1-O 3.05Å; R961-V1028 VanDerWaalsContact NH1-O 3.1Å; I1000-V1028 VanDerWaalsContact CG2-C 3.44Å; M1012-V1028 HydrophobicContact CE-CG1 3.91Å; I1026-V1028 PolarHBondContact O-N 3.01Å; V1028-L1030 HydrophobicContact CG2-CB 4.06Å; V1028-L1030 HydrophobicContact CG2-CD1 4.29Å; V1028-L1030 HydrophobicContact CG2-CG 4.23Å; V1028-L1030 PolarHBondContact O-N 3.46Å; V1028-F1084 HydrophobicContact CG2-CB 3.88Å; V1028-F1084 WeakPolarHBondContact CG2-O 3.34Å; V1028-F1084 PolarHBondContact N-O 2.99Å; V1028-M1086 HydrophobicContact CG1-CB 3.99Å; V1028-I1094 HydrophobicContact CG1-CG1 4.49Å; V1028-I1094 HydrophobicContact CG2-CD1 4.27Å; V1028-I1094 HydrophobicContact CG2-CG1 4.14Å |
| 1029 | G | 85.8 | Confident | 67.6 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1000 A1001 T1002 S1043 E1044 | I1000-G1029 WeakPolarHBondContact O-CA 3.03Å; A1001-G1029 PolarHBondContact O-N 3.38Å; T1002-G1029 WeakPolarHBondContact OG1-CA 3.38Å; G1029-S1043 WeakPolarHBondContact O-CA 3.31Å; G1029-E1044 PolarHBondContact O-N 2.69Å |
| 1030 | L | 84.6 | Confident | 66.9 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.7 | 173.4 | -64.1 | 176.7 | 0 | 0 | 0 | 111 | T1002 V1028 L1041 I1042 L1048 F1058 F1084 I1094 | T1002-L1030 HydrophobicContact CG2-CD2 3.53Å; T1002-L1030 HydrophobicContact CG2-CG 3.85Å; V1028-L1030 HydrophobicContact CG2-CB 4.06Å; V1028-L1030 HydrophobicContact CG2-CD1 4.29Å; V1028-L1030 HydrophobicContact CG2-CG 4.23Å; V1028-L1030 PolarHBondContact O-N 3.46Å; L1030-L1041 HydrophobicContact CB-CD1 4.36Å; L1030-L1041 HydrophobicContact CD2-CD1 4.4Å; L1030-L1041 HydrophobicContact CD2-CD2 4.32Å; L1030-L1041 HydrophobicContact CD2-CG 4.27Å; L1030-I1042 WeakPolarHBondContact CA-O 3.48Å; L1030-L1048 HydrophobicContact CD2-CD1 3.62Å; L1030-L1048 HydrophobicContact CD2-CG 4.39Å; L1030-F1058 HydrophobicContact CD1-CD1 4.18Å; L1030-F1058 HydrophobicContact CD1-CE1 3.81Å; L1030-F1058 HydrophobicContact CD1-CZ 4.27Å; L1030-F1084 HydrophobicContact CB-CB 4.02Å; L1030-F1084 HydrophobicContact CB-CD2 3.79Å; L1030-F1084 HydrophobicContact CB-CG 4.14Å; L1030-I1094 HydrophobicContact CD1-CD1 3.91Å; L1030-I1094 HydrophobicContact CD1-CG2 4.44Å |
| 1031 | K | 79.2 | Confident | 67 | Low | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145 | 161.5 | -79 | -179.5 | 168.6 | 179 | 0 | 109.2 | S962 D965 F966 D968 I1042 F1081 Y1082 | S962-K1031 PolarHBondContact O-NZ 2.92Å; D965-K1031 PolarHBondContact O-NZ 2.91Å; F966-K1031 HydrophobicContact CD2-CB 4.29Å; F966-K1031 HydrophobicContact CD2-CD 3.99Å; F966-K1031 HydrophobicContact CE2-CB 4.32Å; F966-K1031 PolarHBondContact O-NZ 3.47Å; D968-K1031 IonicContact OD2-NZ 2.71Å; D968-K1031 PolarHBondContact OD2-NZ 3.32Å; K1031-I1042 HydrophobicContact CB-CG1 4.41Å; K1031-I1042 PolarHBondContact N-O 2.63Å; K1031-I1042 VanDerWaalsContact O-CG1 3.29Å; K1031-I1042 WeakPolarHBondContact O-CG1 3.47Å; K1031-I1042 PolarHBondContact O-N 3.23Å; K1031-I1042 VanDerWaalsContact O-O 3.08Å; K1031-F1081 HydrophobicContact CB-CB 4.38Å; K1031-F1081 HydrophobicContact CB-CD1 3.96Å; K1031-F1081 HydrophobicContact CB-CG 4.48Å; K1031-F1081 HydrophobicContact CD-CB 4.03Å; K1031-F1081 HydrophobicContact CD-CD1 4.23Å; K1031-F1081 HydrophobicContact CD-CG 4.09Å; K1031-F1081 HydrophobicContact CG-CB 4.42Å; K1031-Y1082 CarbonylContact C-O 3.21Å; K1031-Y1082 VanDerWaalsContact CA-O 3.31Å; K1031-Y1082 WeakPolarHBondContact CA-O 3.39Å |
| 1032 | M | 74.3 | Confident | 67.5 | Low | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.7 | 169.7 | 175.4 | 173.2 | 72.1 | 0 | 0 | 108.4 | H1034 L1040 L1041 F1062 F1081 Y1082 F1084 M1096 | M1032-H1034 PolarHBondContact O-N 3.18Å; M1032-L1040 CarbonylContact C-O 3.48Å; M1032-L1040 WeakPolarHBondContact CA-O 3.24Å; M1032-L1041 HydrophobicContact CB-CD1 4.33Å; M1032-F1062 HydrophobicContact SD-CE1 4.13Å; M1032-F1081 WeakPolarHBondContact O-CA 3.43Å; M1032-Y1082 HydrophobicContact CE-CD2 3.64Å; M1032-Y1082 HydrophobicContact CE-CE2 4.4Å; M1032-Y1082 HydrophobicContact CE-CG 3.94Å; M1032-Y1082 PolarHBondContact N-O 3.46Å; M1032-Y1082 PolarHBondContact O-N 3.35Å; M1032-F1084 HydrophobicContact CB-CE2 3.78Å; M1032-F1084 HydrophobicContact CB-CZ 4.16Å; M1032-M1096 HydrophobicContact CE-SD 4.18Å |
| 1033 | N | 66.9 | Low | 68.5 | Low | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 113.7 | 173.6 | -166.4 | -8.2 | 0 | 0 | 0 | 109 | T1035 S1039 L1040 I1042 F1081 | N1033-T1035 WeakPolarHBondContact OD1-CG2 3.49Å; N1033-S1039 CarbonylContact O-C 3.51Å; N1033-S1039 WeakPolarHBondContact O-CA 3.01Å; N1033-L1040 HydrophobicContact CB-CB 4.44Å; N1033-L1040 PolarHBondContact N-O 2.63Å; N1033-L1040 PolarHBondContact O-N 3.5Å; N1033-I1042 HydrophobicContact CB-CD1 4.26Å; N1033-F1081 HydrophobicContact CB-CD1 3.88Å; N1033-F1081 HydrophobicContact CB-CE1 3.47Å; N1033-F1081 VanDerWaalsContact CB-CE1 3.47Å; N1033-F1081 HydrophobicContact CB-CZ 4.41Å; N1033-F1081 VanDerWaalsContact CG-CE1 3.43Å |
| 1034 | H | 58.3 | Low | 69.1 | Low | 48 Ų | 48 | 33.5 Ų | 33.5 | 22% | 0.222 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 101.3 | 174.8 | -178.5 | -87.2 | 0 | 0 | 0 | 109.6 | M1032 S1038 I1070 Y1080 Y1082 | M1032-H1034 PolarHBondContact O-N 3.18Å; H1034-S1038 WeakPolarHBondContact CA-O 3.4Å; H1034-I1070 WeakPolarHBondContact NE2-CG2 3.34Å; H1034-Y1080 PolarHBondContact N-O 2.98Å; H1034-Y1080 PolarHBondContact O-N 3.17Å; H1034-Y1082 HydrophobicContact CB-CD2 4.28Å; H1034-Y1082 HydrophobicContact CB-CE2 4.05Å |
| 1035 | T | 52.9 | Low | 69.1 | Low | 50 Ų | 50 | 25.6 Ų | 25.6 | 31% | 0.307 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 174.8 | 170.6 | 83.3 | 0 | 0 | 0 | 0 | 110.3 | N1033 G1037 S1038 | N1033-T1035 WeakPolarHBondContact OD1-CG2 3.49Å; T1035-G1037 VanDerWaalsContact C-N 3.35Å; T1035-G1037 PolarHBondContact O-N 3.35Å; T1035-S1038 PolarHBondContact N-O 2.79Å; T1035-S1038 PolarHBondContact O-N 2.9Å; T1035-S1038 VanDerWaalsContact O-N 3.12Å; T1035-S1038 PolarHBondContact OG1-OG 2.88Å |
| 1036 | R | 46.7 | Very low | 68.5 | Low | 166 Ų | 166 | 26.7 Ų | 26.7 | 63% | 0.626 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 88.5 | -174.9 | -80.7 | -176.7 | 169.9 | 166 | -0.2 | 112.2 | K1074 N1077 | R1036-K1074 PolarHBondContact NH2-O 3Å; R1036-N1077 PolarHBondContact NH1-OD1 3.18Å |
| 1037 | G | 45 | Very low | 67.3 | Low | 66 Ų | 66 | 26.9 Ų | 26.9 | 68% | 0.68 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.8 | 9.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1035 | T1035-G1037 VanDerWaalsContact C-N 3.35Å; T1035-G1037 PolarHBondContact O-N 3.35Å |
| 1038 | S | 42.3 | Very low | 65.9 | Low | 8 Ų | 8 | 28.6 Ų | 28.6 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 132.5 | 174.3 | 67.8 | 0 | 0 | 0 | 0 | 115.1 | H1034 T1035 S1233 D1235 | H1034-S1038 WeakPolarHBondContact CA-O 3.4Å; T1035-S1038 PolarHBondContact N-O 2.79Å; T1035-S1038 PolarHBondContact O-N 2.9Å; T1035-S1038 VanDerWaalsContact O-N 3.12Å; T1035-S1038 PolarHBondContact OG1-OG 2.88Å; S1038-S1233 WeakPolarHBondContact CB-O 3.35Å; S1038-S1233 PolarHBondContact OG-O 2.99Å; S1038-D1235 VanDerWaalsContact CB-N 3.32Å |
| 1039 | S | 50.2 | Low | 64 | Low | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 104.6 | 167.5 | -29.5 | 0 | 0 | 0 | 0 | 108.6 | N1033 D1235 T1236 | N1033-S1039 CarbonylContact O-C 3.51Å; N1033-S1039 WeakPolarHBondContact O-CA 3.01Å; S1039-D1235 WeakPolarHBondContact CA-OD1 3.43Å; S1039-D1235 WeakPolarHBondContact CB-OD1 3.42Å; S1039-D1235 PolarHBondContact N-OD1 3.17Å; S1039-D1235 PolarHBondContact OG-OD1 2.82Å; S1039-T1236 PolarHBondContact O-N 2.85Å; S1039-T1236 PolarHBondContact O-OG1 2.84Å |
| 1040 | L | 60.4 | Low | 61.6 | Low | 48 Ų | 48 | 37.1 Ų | 37.1 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 111.1 | 176.9 | 179.6 | 70.1 | 0 | 0 | 0 | 109.5 | M1032 N1033 I1042 T1236 | M1032-L1040 CarbonylContact C-O 3.48Å; M1032-L1040 WeakPolarHBondContact CA-O 3.24Å; N1033-L1040 HydrophobicContact CB-CB 4.44Å; N1033-L1040 PolarHBondContact N-O 2.63Å; N1033-L1040 PolarHBondContact O-N 3.5Å; L1040-I1042 HydrophobicContact CD2-CG2 3.56Å; L1040-I1042 HydrophobicContact CG-CG2 3.63Å; L1040-I1042 PolarHBondContact O-N 2.92Å; L1040-T1236 HydrophobicContact CD1-CG2 3.51Å |
| 1041 | L | 69.7 | Low | 59.3 | Low | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122 | 167.3 | -169.7 | 71.5 | 0 | 0 | 0 | 108.9 | L1030 M1032 L1048 F1058 F1062 F1084 | L1030-L1041 HydrophobicContact CB-CD1 4.36Å; L1030-L1041 HydrophobicContact CD2-CD1 4.4Å; L1030-L1041 HydrophobicContact CD2-CD2 4.32Å; L1030-L1041 HydrophobicContact CD2-CG 4.27Å; M1032-L1041 HydrophobicContact CB-CD1 4.33Å; L1041-L1048 HydrophobicContact CB-CD1 4.27Å; L1041-L1048 HydrophobicContact CD2-CD1 3.83Å; L1041-L1048 HydrophobicContact CG-CD1 3.65Å; L1041-F1058 HydrophobicContact CD2-CB 4Å; L1041-F1058 HydrophobicContact CD2-CD2 4.45Å; L1041-F1058 HydrophobicContact CD2-CG 4.2Å; L1041-F1062 HydrophobicContact CB-CZ 4.11Å; L1041-F1062 HydrophobicContact CD2-CZ 4.49Å; L1041-F1084 HydrophobicContact CD1-CD2 4.08Å; L1041-F1084 HydrophobicContact CD1-CE2 3.43Å; L1041-F1084 VanDerWaalsContact CD1-CE2 3.43Å; L1041-F1084 HydrophobicContact CD1-CZ 3.86Å |
| 1042 | I | 72.6 | Confident | 57.5 | Low | 28 Ų | 28 | 43.4 Ų | 43.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.8 | 178.9 | 54.8 | 175.7 | 0 | 0 | 0 | 110.5 | F966 L1030 K1031 N1033 L1040 F1081 | F966-I1042 HydrophobicContact CD1-CD1 4.13Å; F966-I1042 HydrophobicContact CD2-CD1 3.33Å; F966-I1042 HydrophobicContact CD2-CG1 3.96Å; F966-I1042 HydrophobicContact CE1-CD1 4.09Å; F966-I1042 HydrophobicContact CE2-CB 4.24Å; F966-I1042 HydrophobicContact CE2-CD1 3.31Å; F966-I1042 HydrophobicContact CE2-CG1 3.49Å; F966-I1042 VanDerWaalsContact CE2-CG1 3.49Å; F966-I1042 HydrophobicContact CG-CD1 3.76Å; F966-I1042 HydrophobicContact CZ-CB 4.19Å; F966-I1042 HydrophobicContact CZ-CD1 3.68Å; F966-I1042 HydrophobicContact CZ-CG1 3.92Å; L1030-I1042 WeakPolarHBondContact CA-O 3.48Å; K1031-I1042 HydrophobicContact CB-CG1 4.41Å; K1031-I1042 PolarHBondContact N-O 2.63Å; K1031-I1042 VanDerWaalsContact O-CG1 3.29Å; K1031-I1042 WeakPolarHBondContact O-CG1 3.47Å; K1031-I1042 PolarHBondContact O-N 3.23Å; K1031-I1042 VanDerWaalsContact O-O 3.08Å; N1033-I1042 HydrophobicContact CB-CD1 4.26Å; L1040-I1042 HydrophobicContact CD2-CG2 3.56Å; L1040-I1042 HydrophobicContact CG-CG2 3.63Å; L1040-I1042 PolarHBondContact O-N 2.92Å; I1042-F1081 HydrophobicContact CD1-CD1 4.46Å; I1042-F1081 HydrophobicContact CD1-CE1 3.72Å |
| 1043 | S | 79.9 | Confident | 55.7 | Low | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.1 | 177.9 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | T1002 G1029 D1045 N1046 S1047 L1048 | T1002-S1043 WeakPolarHBondContact OG1-CB 3.34Å; G1029-S1043 WeakPolarHBondContact O-CA 3.31Å; S1043-D1045 WeakPolarHBondContact CB-OD1 3.31Å; S1043-D1045 PolarHBondContact O-N 3.37Å; S1043-D1045 VanDerWaalsContact O-N 3.12Å; S1043-D1045 PolarHBondContact OG-OD1 2.94Å; S1043-N1046 PolarHBondContact O-N 3.03Å; S1043-S1047 PolarHBondContact OG-N 2.79Å; S1043-S1047 VanDerWaalsContact OG-N 3.08Å; S1043-S1047 PolarHBondContact OG-OG 3.47Å; S1043-L1048 PolarHBondContact OG-N 2.92Å |
| 1044 | E | 77.1 | Confident | 54.8 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.8 | -175.7 | -67.3 | 178.3 | -148.7 | 0 | 0 | 114.2 | R961 F966 H967 S971 V999 I1000 G1029 | R961-E1044 IonicContact CZ-OE1 3.35Å; R961-E1044 IonicContact NH2-OE1 2.65Å; R961-E1044 PolarHBondContact NH2-OE1 3.11Å; F966-E1044 HydrophobicContact CD2-CG 4.49Å; F966-E1044 HydrophobicContact CE1-CG 4.48Å; F966-E1044 HydrophobicContact CE2-CG 3.77Å; F966-E1044 HydrophobicContact CZ-CB 4.27Å; F966-E1044 HydrophobicContact CZ-CG 3.79Å; H967-E1044 IonicContact ND1-OE2 3.91Å; S971-E1044 PolarHBondContact OG-OE1 3.15Å; S971-E1044 PolarHBondContact OG-OE2 3.08Å; V999-E1044 HydrophobicContact CB-CB 3.93Å; V999-E1044 HydrophobicContact CG2-CB 4.4Å; I1000-E1044 WeakPolarHBondContact CB-OE2 3.26Å; I1000-E1044 WeakPolarHBondContact CG1-OE2 3.37Å; I1000-E1044 PolarHBondContact N-OE2 3.25Å; G1029-E1044 PolarHBondContact O-N 2.69Å |
| 1045 | D | 68.5 | Low | 54.4 | Low | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.1 | 174.7 | 73.2 | -20.4 | 0 | 0 | 0 | 114.1 | V999 S1043 S1047 | V999-D1045 HydrophobicContact CG2-CB 3.79Å; S1043-D1045 WeakPolarHBondContact CB-OD1 3.31Å; S1043-D1045 PolarHBondContact O-N 3.37Å; S1043-D1045 VanDerWaalsContact O-N 3.12Å; S1043-D1045 PolarHBondContact OG-OD1 2.94Å; D1045-S1047 PolarHBondContact O-N 2.86Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.27Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.23Å; D1045-S1047 PolarHBondContact OD1-N 2.63Å; D1045-S1047 PolarHBondContact OD1-OG 2.02Å; D1045-S1047 VanDerWaalsContact OD2-CB 3.22Å; D1045-S1047 WeakPolarHBondContact OD2-CB 3.44Å; D1045-S1047 PolarHBondContact OD2-OG 3.41Å; D1045-S1047 VanDerWaalsContact OD2-OG 3.06Å |
| 1046 | N | 64.9 | Low | 54.6 | Low | 44 Ų | 44 | 46.8 Ų | 46.8 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 56 | 9.1 | -173.3 | -62.6 | -55.4 | 0 | 0 | 0 | 115.8 | S1043 L1048 Q1049 | S1043-N1046 PolarHBondContact O-N 3.03Å; N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.49Å; N1046-Q1049 WeakPolarHBondContact O-CB 3.33Å; N1046-Q1049 PolarHBondContact O-N 3.42Å; N1046-Q1049 PolarHBondContact OD1-NE2 3.15Å |
| 1047 | S | 61.1 | Low | 55.1 | Low | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -58.1 | -30.5 | -178.3 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | Q1004 S1043 D1045 Q1049 T1050 | Q1004-S1047 VanDerWaalsContact CD-CB 3.45Å; Q1004-S1047 VanDerWaalsContact NE2-CB 3.29Å; Q1004-S1047 PolarHBondContact NE2-OG 3.06Å; Q1004-S1047 PolarHBondContact OE1-OG 3.37Å; S1043-S1047 PolarHBondContact OG-N 2.79Å; S1043-S1047 VanDerWaalsContact OG-N 3.08Å; S1043-S1047 PolarHBondContact OG-OG 3.47Å; D1045-S1047 PolarHBondContact O-N 2.86Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.27Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.23Å; D1045-S1047 PolarHBondContact OD1-N 2.63Å; D1045-S1047 PolarHBondContact OD1-OG 2.02Å; D1045-S1047 VanDerWaalsContact OD2-CB 3.22Å; D1045-S1047 WeakPolarHBondContact OD2-CB 3.44Å; D1045-S1047 PolarHBondContact OD2-OG 3.41Å; D1045-S1047 VanDerWaalsContact OD2-OG 3.06Å; S1047-Q1049 PolarHBondContact O-N 3.13Å; S1047-T1050 PolarHBondContact O-N 2.98Å; S1047-T1050 VanDerWaalsContact O-N 3.14Å; S1047-T1050 PolarHBondContact O-OG1 2.76Å |
| 1048 | L | 56.2 | Low | 55.6 | Low | 36 Ų | 36 | 42 Ų | 42 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.5 | -13.1 | 174.3 | -75 | 176.1 | 0 | 0 | 0 | 114.1 | L1030 L1041 S1043 N1046 T1051 F1058 | L1030-L1048 HydrophobicContact CD2-CD1 3.62Å; L1030-L1048 HydrophobicContact CD2-CG 4.39Å; L1041-L1048 HydrophobicContact CB-CD1 4.27Å; L1041-L1048 HydrophobicContact CD2-CD1 3.83Å; L1041-L1048 HydrophobicContact CG-CD1 3.65Å; S1043-L1048 PolarHBondContact OG-N 2.92Å; N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.49Å; L1048-T1051 WeakPolarHBondContact O-CG2 3.28Å; L1048-F1058 HydrophobicContact CD2-CD2 3.98Å; L1048-F1058 HydrophobicContact CD2-CE2 3.94Å |
| 1049 | Q | 46.9 | Very low | 56 | Low | 113 Ų | 113 | 43.3 Ų | 43.3 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -81.9 | -16.5 | 174.8 | -60.2 | 175.2 | 2.8 | 0 | 0 | 112.5 | N1046 S1047 T1051 S1229 | N1046-Q1049 WeakPolarHBondContact O-CB 3.33Å; N1046-Q1049 PolarHBondContact O-N 3.42Å; N1046-Q1049 PolarHBondContact OD1-NE2 3.15Å; S1047-Q1049 PolarHBondContact O-N 3.13Å; Q1049-T1051 PolarHBondContact O-N 3.08Å; Q1049-S1229 PolarHBondContact O-OG 2.95Å |
| 1050 | T | 36.7 | Very low | 56 | Low | 67 Ų | 67 | 44 Ų | 44 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | trans | -97.7 | 71.9 | 173.4 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | S1047 G1052 T1053 | S1047-T1050 PolarHBondContact O-N 2.98Å; S1047-T1050 VanDerWaalsContact O-N 3.14Å; S1047-T1050 PolarHBondContact O-OG1 2.76Å; T1050-G1052 PolarHBondContact O-N 3.04Å; T1050-T1053 PolarHBondContact O-OG1 2.85Å | ||
| 1051 | T | 35.8 | Very low | 55.6 | Low | 72 Ų | 72 | 42.8 Ų | 42.8 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 23 | -172.5 | 51.1 | 0 | 0 | 0 | 0 | 116 | L1048 Q1049 | L1048-T1051 WeakPolarHBondContact O-CG2 3.28Å; Q1049-T1051 PolarHBondContact O-N 3.08Å |
| 1052 | G | 40.6 | Very low | 54.6 | Low | 59 Ų | 59 | 44.6 Ų | 44.6 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1050 | T1050-G1052 PolarHBondContact O-N 3.04Š|
| 1053 | T | 37.5 | Very low | 53.2 | Low | 92 Ų | 92 | 49.9 Ų | 49.9 | 56% | 0.564 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -129.6 | -4.6 | -169.1 | 49.8 | 0 | 0 | 0 | 0 | 116.3 | T1050 | T1050-T1053 PolarHBondContact O-OG1 2.85Š|
| 1054 | N | 47.4 | Very low | 51.2 | Low | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | trans | -96.5 | 116.6 | -164.6 | -66.1 | 22.5 | 0 | 0 | 0 | 110.7 | Q1004 | Q1004-N1054 PolarHBondContact OE1-ND2 3.05Å; Q1004-N1054 PolarHBondContact OE1-OD1 3.27Å | ||
| 1055 | L | 51 | Low | 49.4 | Very low | 67 Ų | 67 | 63.9 Ų | 63.9 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | trans | -94.8 | -10.3 | -171.6 | -68.9 | 155.4 | 0 | 0 | 0 | 113.3 | L895 Q1004 | L895-L1055 HydrophobicContact CB-CD1 4.14Å; L895-L1055 HydrophobicContact CB-CD2 4.11Å; L895-L1055 HydrophobicContact CD1-CD1 3.98Å; L895-L1055 HydrophobicContact CD1-CD2 4.47Å; L895-L1055 HydrophobicContact CD2-CD1 4.19Å; L895-L1055 HydrophobicContact CG-CD1 4.33Å; Q1004-L1055 PolarHBondContact O-N 3.21Å | ||
| 1056 | I | 56.7 | Low | 47.7 | Very low | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -87.2 | 118.9 | 171.7 | -57.3 | -177.3 | 0 | 0 | 0 | 108.7 | P1003 A1009 F1058 L1093 | P1003-I1056 HydrophobicContact CB-CD1 3.92Å; P1003-I1056 HydrophobicContact CG-CD1 4.04Å; A1009-I1056 HydrophobicContact CB-CD1 4.25Å; I1056-F1058 HydrophobicContact CB-CE1 3.98Å; I1056-F1058 HydrophobicContact CB-CE2 4.37Å; I1056-F1058 HydrophobicContact CB-CZ 3.89Å; I1056-F1058 HydrophobicContact CD1-CZ 4.49Å; I1056-F1058 HydrophobicContact CG2-CD1 3.86Å; I1056-F1058 HydrophobicContact CG2-CE1 3.54Å; I1056-F1058 HydrophobicContact CG2-CZ 4.01Å; I1056-F1058 PolarHBondContact O-N 3.05Å; I1056-L1093 HydrophobicContact CG2-CD1 4.31Å |
| 1057 | D | 56.1 | Low | 46.4 | Very low | 113 Ų | 113 | 70.2 Ų | 70.2 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | trans | -72.2 | 99.6 | 169.7 | 179.7 | 31.2 | 0 | 0 | 0 | 111 | S1059 | D1057-S1059 VanDerWaalsContact CG-OG 3.26Å; D1057-S1059 PolarHBondContact O-N 3.12Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1057-S1059 PolarHBondContact OD1-N 3.4Å; D1057-S1059 PolarHBondContact OD1-OG 2.94Å; D1057-S1059 PolarHBondContact OD2-OG 3.02Å | ||
| 1058 | F | 57 | Low | 45.1 | Very low | 18 Ų | 18 | 76.5 Ų | 76.5 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -74.8 | -6.9 | 171.7 | -59.2 | -59.6 | 0 | 0 | 0 | 113.3 | L1030 L1041 L1048 I1056 G1060 L1061 F1062 I1094 | L1030-F1058 HydrophobicContact CD1-CD1 4.18Å; L1030-F1058 HydrophobicContact CD1-CE1 3.81Å; L1030-F1058 HydrophobicContact CD1-CZ 4.27Å; L1041-F1058 HydrophobicContact CD2-CB 4Å; L1041-F1058 HydrophobicContact CD2-CD2 4.45Å; L1041-F1058 HydrophobicContact CD2-CG 4.2Å; L1048-F1058 HydrophobicContact CD2-CD2 3.98Å; L1048-F1058 HydrophobicContact CD2-CE2 3.94Å; I1056-F1058 HydrophobicContact CB-CE1 3.98Å; I1056-F1058 HydrophobicContact CB-CE2 4.37Å; I1056-F1058 HydrophobicContact CB-CZ 3.89Å; I1056-F1058 HydrophobicContact CD1-CZ 4.49Å; I1056-F1058 HydrophobicContact CG2-CD1 3.86Å; I1056-F1058 HydrophobicContact CG2-CE1 3.54Å; I1056-F1058 HydrophobicContact CG2-CZ 4.01Å; I1056-F1058 PolarHBondContact O-N 3.05Å; F1058-G1060 PolarHBondContact O-N 3.07Å; F1058-L1061 HydrophobicContact CB-CD1 4.18Å; F1058-L1061 HydrophobicContact CD1-CD1 3.88Å; F1058-L1061 HydrophobicContact CG-CD1 4.47Å; F1058-L1061 WeakPolarHBondContact O-CB 3.44Å; F1058-L1061 PolarHBondContact O-N 2.76Å; F1058-F1062 WeakPolarHBondContact O-CD2 3.36Å; F1058-I1094 HydrophobicContact CE1-CD1 4.04Å |
| 1059 | S | 49.9 | Very low | 44 | Very low | 36 Ų | 36 | 78 Ų | 78 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -61.5 | -30.1 | -178.1 | 90.1 | 0 | 0 | 0 | 0 | 112.9 | D1057 L1061 F1062 | D1057-S1059 VanDerWaalsContact CG-OG 3.26Å; D1057-S1059 PolarHBondContact O-N 3.12Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.34Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1057-S1059 PolarHBondContact OD1-N 3.4Å; D1057-S1059 PolarHBondContact OD1-OG 2.94Å; D1057-S1059 PolarHBondContact OD2-OG 3.02Å; S1059-L1061 PolarHBondContact O-N 2.67Å; S1059-F1062 PolarHBondContact O-N 2.71Å |
| 1060 | G | 49.5 | Very low | 43.6 | Very low | 33 Ų | 33 | 74.4 Ų | 74.4 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -59.4 | -29.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1058 F1062 Q1063 | F1058-G1060 PolarHBondContact O-N 3.07Å; G1060-F1062 VanDerWaalsContact C-N 3.26Å; G1060-F1062 PolarHBondContact O-N 2.84Å; G1060-Q1063 WeakPolarHBondContact O-CB 3.32Å; G1060-Q1063 PolarHBondContact O-N 2.98Å |
| 1061 | L | 51.8 | Low | 43.5 | Very low | 24 Ų | 24 | 76.6 Ų | 76.6 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -65.6 | -30.7 | -179 | -59.7 | 177.2 | 0 | 0 | 0 | 112.4 | F1058 S1059 Q1063 F1084 I1094 | F1058-L1061 HydrophobicContact CB-CD1 4.18Å; F1058-L1061 HydrophobicContact CD1-CD1 3.88Å; F1058-L1061 HydrophobicContact CG-CD1 4.47Å; F1058-L1061 WeakPolarHBondContact O-CB 3.44Å; F1058-L1061 PolarHBondContact O-N 2.76Å; S1059-L1061 PolarHBondContact O-N 2.67Å; L1061-Q1063 VanDerWaalsContact C-N 3.3Å; L1061-F1084 HydrophobicContact CB-CE1 4.16Å; L1061-F1084 HydrophobicContact CD1-CD1 3.99Å; L1061-F1084 HydrophobicContact CD1-CE1 3.83Å; L1061-F1084 HydrophobicContact CG-CE1 4.4Å; L1061-I1094 HydrophobicContact CD1-CG2 3.7Å; L1061-I1094 HydrophobicContact CD2-CG2 3.82Å; L1061-I1094 WeakPolarHBondContact CD2-O 3.39Å; L1061-I1094 HydrophobicContact CG-CG2 4.43Å |
| 1062 | F | 50.2 | Low | 43.3 | Very low | 54 Ų | 54 | 80.1 Ų | 80.1 | 24% | 0.237 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -79.8 | -9.4 | 176.2 | -53.3 | -91.1 | 0 | 0 | 0 | 113 | M1032 L1041 F1058 S1059 G1060 H1064 T1236 | M1032-F1062 HydrophobicContact SD-CE1 4.13Å; L1041-F1062 HydrophobicContact CB-CZ 4.11Å; L1041-F1062 HydrophobicContact CD2-CZ 4.49Å; F1058-F1062 WeakPolarHBondContact O-CD2 3.36Å; S1059-F1062 PolarHBondContact O-N 2.71Å; G1060-F1062 VanDerWaalsContact C-N 3.26Å; G1060-F1062 PolarHBondContact O-N 2.84Å; F1062-H1064 VanDerWaalsContact C-N 3.35Å; F1062-T1236 WeakPolarHBondContact CE1-OG1 3.32Å; F1062-T1236 WeakPolarHBondContact CZ-OG1 3Å |
| 1063 | Q | 42.9 | Very low | 43 | Very low | 138 Ų | 138 | 83.1 Ų | 83.1 | 65% | 0.645 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -84.1 | -5.6 | -177.4 | -58.8 | -172.7 | 33.9 | 0 | 0 | 113.9 | G1060 L1061 K1065 | G1060-Q1063 WeakPolarHBondContact O-CB 3.32Å; G1060-Q1063 PolarHBondContact O-N 2.98Å; L1061-Q1063 VanDerWaalsContact C-N 3.3Å; Q1063-K1065 PolarHBondContact O-N 2.98Å |
| 1064 | H | 37.8 | Very low | 43 | Very low | 107 Ų | 107 | 87 Ų | 87 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | trans | -63.3 | 106.8 | 169.5 | -80.2 | -80.6 | 0 | 0 | 0 | 110.5 | F1062 D1066 S1067 | F1062-H1064 VanDerWaalsContact C-N 3.35Å; H1064-D1066 PolarHBondContact O-N 3.11Å; H1064-S1067 PolarHBondContact O-N 2.88Å | ||
| 1065 | K | 39.7 | Very low | 42.9 | Very low | 191 Ų | 191 | 91.9 Ų | 91.9 | 83% | 0.83 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -60.6 | -9.5 | -175.3 | -75.1 | -177 | 173.9 | 178.2 | 0 | 115.3 | Q1063 S1067 | Q1063-K1065 PolarHBondContact O-N 2.98Å; K1065-S1067 PolarHBondContact O-N 2.93Å |
| 1066 | D | 33.2 | Very low | 42.3 | Very low | 132 Ų | 132 | 93 Ų | 93 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -79.6 | 7.8 | 178.1 | -60.7 | -58.2 | 0 | 0 | 0 | 114.1 | H1064 K1068 A1069 | H1064-D1066 PolarHBondContact O-N 3.11Å; D1066-K1068 PolarHBondContact O-N 3.22Å; D1066-A1069 WeakPolarHBondContact O-CB 2.99Å; D1066-A1069 PolarHBondContact O-N 3.3Å |
| 1067 | S | 36 | Very low | 41.7 | Very low | 65 Ų | 65 | 98.9 Ų | 98.9 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -55.1 | -13.6 | 169.4 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | H1064 K1065 A1069 I1070 | H1064-S1067 PolarHBondContact O-N 2.88Å; K1065-S1067 PolarHBondContact O-N 2.93Å; S1067-A1069 PolarHBondContact O-N 2.93Å; S1067-I1070 WeakPolarHBondContact O-CB 3.03Å; S1067-I1070 WeakPolarHBondContact O-CD1 3.3Å; S1067-I1070 VanDerWaalsContact O-CG1 3.24Å; S1067-I1070 WeakPolarHBondContact O-CG1 3.45Å; S1067-I1070 PolarHBondContact O-N 2.89Å |
| 1068 | K | 35.2 | Very low | 41.4 | Very low | 135 Ų | 135 | 98.4 Ų | 98.4 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -74.8 | 1.4 | 168.4 | -76.5 | 179.6 | 177.5 | 171.9 | 0 | 114.7 | D1066 I1070 | D1066-K1068 PolarHBondContact O-N 3.22Å; K1068-I1070 VanDerWaalsContact C-N 3.3Å |
| 1069 | A | 32.5 | Very low | 41.3 | Very low | 69 Ų | 69 | 99.7 Ų | 99.7 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -76.6 | -14 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1066 S1067 S1071 | D1066-A1069 WeakPolarHBondContact O-CB 2.99Å; D1066-A1069 PolarHBondContact O-N 3.3Å; S1067-A1069 PolarHBondContact O-N 2.93Å; A1069-S1071 VanDerWaalsContact C-N 3.27Å; A1069-S1071 PolarHBondContact O-N 3.32Å |
| 1070 | I | 38.1 | Very low | 41.9 | Very low | 37 Ų | 37 | 100.3 Ų | 100.3 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | trans | -76.8 | -6.4 | -167.3 | -60.3 | 175.9 | 0 | 0 | 0 | 113.2 | H1034 S1067 K1068 L1072 Y1082 | H1034-I1070 WeakPolarHBondContact NE2-CG2 3.34Å; S1067-I1070 WeakPolarHBondContact O-CB 3.03Å; S1067-I1070 WeakPolarHBondContact O-CD1 3.3Å; S1067-I1070 VanDerWaalsContact O-CG1 3.24Å; S1067-I1070 WeakPolarHBondContact O-CG1 3.45Å; S1067-I1070 PolarHBondContact O-N 2.89Å; K1068-I1070 VanDerWaalsContact C-N 3.3Å; I1070-L1072 PolarHBondContact O-N 3.15Å; I1070-Y1082 HydrophobicContact CG1-CE2 4.48Å; I1070-Y1082 HydrophobicContact CG2-CE2 4.32Å | ||
| 1071 | S | 33.9 | Very low | 43 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 78% | 0.783 | 52% | 0.515 | S | S | * | . | trans | -83 | 30.7 | -177.9 | 76.5 | 0 | 0 | 0 | 0 | 115.3 | A1069 | A1069-S1071 VanDerWaalsContact C-N 3.27Å; A1069-S1071 PolarHBondContact O-N 3.32Å | ||
| 1072 | L | 33 | Very low | 44.1 | Very low | 146 Ų | 146 | 101.5 Ų | 101.5 | 76% | 0.764 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -90.8 | 134.8 | 176.5 | -68 | 169.8 | 0 | 0 | 0 | 110.3 | I1070 | I1070-L1072 PolarHBondContact O-N 3.15Š|
| 1073 | N | 32.8 | Very low | 45.6 | Very low | 123 Ų | 123 | 98.9 Ų | 98.9 | 66% | 0.658 | 51% | 0.511 | S | S | * | . | trans | 52.9 | 83.4 | -178.9 | -68 | -6.9 | 0 | 0 | 0 | 115.8 | D1075 | N1073-D1075 VanDerWaalsContact C-N 3.32Š| ||
| 1074 | K | 37.7 | Very low | 47.6 | Very low | 173 Ų | 173 | 92.5 Ų | 92.5 | 75% | 0.752 | 48% | 0.481 | S | S | * | . | trans | -79.2 | -12.9 | 170.2 | -131.2 | 177.6 | -173.4 | 179.5 | 0 | 114.1 | R1036 | R1036-K1074 PolarHBondContact NH2-O 3Š| ||
| 1075 | D | 45.9 | Very low | 49.7 | Very low | 145 Ų | 145 | 87.5 Ų | 87.5 | 78% | 0.775 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -91.5 | -27 | -161.2 | -59.7 | -34.3 | 0 | 0 | 0 | 114.5 | N1073 | N1073-D1075 VanDerWaalsContact C-N 3.32Š|
| 1076 | N | 38.9 | Very low | 51.7 | Low | 90 Ų | 90 | 78.4 Ų | 78.4 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -81.2 | 151.8 | 169.4 | -84.9 | 23.1 | 0 | 0 | 0 | 111.2 | E1078 | N1076-E1078 WeakPolarHBondContact CB-OE2 3.3Å; N1076-E1078 PolarHBondContact ND2-OE2 3.49Å |
| 1077 | N | 44.4 | Very low | 53.8 | Low | 135 Ų | 135 | 72.5 Ų | 72.5 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | trans | -102.7 | 29.7 | -172.7 | -150.2 | 68.1 | 0 | 0 | 0 | 112.1 | R1036 | R1036-N1077 PolarHBondContact NH1-OD1 3.18Š| ||
| 1078 | E | 48.7 | Very low | 55.6 | Low | 103 Ų | 103 | 69.4 Ų | 69.4 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | trans | -103.9 | 147.4 | -170 | -65 | 163.4 | 143.8 | 0 | 0 | 110.5 | N1076 Y1080 | N1076-E1078 WeakPolarHBondContact CB-OE2 3.3Å; N1076-E1078 PolarHBondContact ND2-OE2 3.49Å; E1078-Y1080 HydrophobicContact CB-CE1 3.94Å | ||
| 1079 | S | 54.8 | Low | 56.9 | Low | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | trans | -85 | 136.9 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1080 | Y | 63.9 | Low | 58.1 | Low | 50 Ų | 50 | 68.1 Ų | 68.1 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.5 | 179.8 | -52.7 | -60.4 | 0 | 0 | 0 | 112.1 | I963 H1034 E1078 | I963-Y1080 CarbonylContact O-C 3.6Å; I963-Y1080 VanDerWaalsContact O-CA 3.23Å; I963-Y1080 WeakPolarHBondContact O-CA 3.34Å; H1034-Y1080 PolarHBondContact N-O 2.98Å; H1034-Y1080 PolarHBondContact O-N 3.17Å; E1078-Y1080 HydrophobicContact CB-CE1 3.94Å |
| 1081 | F | 72.5 | Confident | 58.8 | Low | 11 Ų | 11 | 68.3 Ų | 68.3 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.3 | 178.1 | -65.7 | -76.2 | 0 | 0 | 0 | 111.8 | I963 V964 D965 F966 K1031 M1032 N1033 I1042 C1099 | I963-F1081 WeakPolarHBondContact CG1-O 3.5Å; I963-F1081 PolarHBondContact O-N 2.97Å; V964-F1081 VanDerWaalsContact O-CE2 3.29Å; V964-F1081 WeakPolarHBondContact O-CE2 3.33Å; D965-F1081 VanDerWaalsContact C-CE2 3.47Å; F966-F1081 HydrophobicContact CB-CE1 4.12Å; F966-F1081 HydrophobicContact CB-CE2 4.11Å; F966-F1081 HydrophobicContact CB-CZ 3.66Å; F966-F1081 HydrophobicContact CD2-CE1 4.3Å; F966-F1081 VanDerWaalsContact N-CE2 3.35Å; K1031-F1081 HydrophobicContact CB-CB 4.38Å; K1031-F1081 HydrophobicContact CB-CD1 3.96Å; K1031-F1081 HydrophobicContact CB-CG 4.48Å; K1031-F1081 HydrophobicContact CD-CB 4.03Å; K1031-F1081 HydrophobicContact CD-CD1 4.23Å; K1031-F1081 HydrophobicContact CD-CG 4.09Å; K1031-F1081 HydrophobicContact CG-CB 4.42Å; M1032-F1081 WeakPolarHBondContact O-CA 3.43Å; N1033-F1081 HydrophobicContact CB-CD1 3.88Å; N1033-F1081 HydrophobicContact CB-CE1 3.47Å; N1033-F1081 VanDerWaalsContact CB-CE1 3.47Å; N1033-F1081 HydrophobicContact CB-CZ 4.41Å; N1033-F1081 VanDerWaalsContact CG-CE1 3.43Å; I1042-F1081 HydrophobicContact CD1-CD1 4.46Å; I1042-F1081 HydrophobicContact CD1-CE1 3.72Å; F1081-C1099 PolarHBondContact O-SG 2.81Å |
| 1082 | Y | 74.3 | Confident | 59.6 | Low | 70 Ų | 70 | 68.9 Ų | 68.9 | 28% | 0.275 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142 | 161.2 | -66.1 | -89.9 | 0 | 0 | 0 | 109.8 | K1031 M1032 H1034 I1070 M1096 | K1031-Y1082 CarbonylContact C-O 3.21Å; K1031-Y1082 VanDerWaalsContact CA-O 3.31Å; K1031-Y1082 WeakPolarHBondContact CA-O 3.39Å; M1032-Y1082 HydrophobicContact CE-CD2 3.64Å; M1032-Y1082 HydrophobicContact CE-CE2 4.4Å; M1032-Y1082 HydrophobicContact CE-CG 3.94Å; M1032-Y1082 PolarHBondContact N-O 3.46Å; M1032-Y1082 PolarHBondContact O-N 3.35Å; H1034-Y1082 HydrophobicContact CB-CD2 4.28Å; H1034-Y1082 HydrophobicContact CB-CE2 4.05Å; I1070-Y1082 HydrophobicContact CG1-CE2 4.48Å; I1070-Y1082 HydrophobicContact CG2-CE2 4.32Å; Y1082-M1096 HydrophobicContact CD1-SD 4.31Å; Y1082-M1096 HydrophobicContact CG-SD 4.42Å |
| 1083 | C | 82 | Confident | 60.9 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 150.8 | -174 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | W1027 S1097 C1099 | W1027-C1083 HydrophobicContact CE3-CB 3.92Å; W1027-C1083 HydrophobicContact CH2-CB 3.63Å; W1027-C1083 HydrophobicContact CZ3-CB 3.23Å; C1083-S1097 PolarHBondContact O-N 2.84Å; C1083-C1099 HydrophobicContact CB-CB 4.03Å; C1083-C1099 WeakPolarHBondContact CB-SG 3.41Å; C1083-C1099 PolarHBondContact N-SG 2.89Å; C1083-C1099 WeakPolarHBondContact SG-CB 3.29Å; C1083-C1099 CovalentContact SG-SG 2.04Å; C1083-C1099 PolarHBondContact SG-SG 3.26Å |
| 1084 | F | 85.1 | Confident | 62.6 | Low | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.7 | -178.8 | -67.5 | -90.3 | 0 | 0 | 0 | 111.9 | W1027 V1028 L1030 M1032 L1041 L1061 I1094 Q1095 M1096 | W1027-F1084 VanDerWaalsContact CE3-O 3.27Å; V1028-F1084 HydrophobicContact CG2-CB 3.88Å; V1028-F1084 WeakPolarHBondContact CG2-O 3.34Å; V1028-F1084 PolarHBondContact N-O 2.99Å; L1030-F1084 HydrophobicContact CB-CB 4.02Å; L1030-F1084 HydrophobicContact CB-CD2 3.79Å; L1030-F1084 HydrophobicContact CB-CG 4.14Å; M1032-F1084 HydrophobicContact CB-CE2 3.78Å; M1032-F1084 HydrophobicContact CB-CZ 4.16Å; L1041-F1084 HydrophobicContact CD1-CD2 4.08Å; L1041-F1084 HydrophobicContact CD1-CE2 3.43Å; L1041-F1084 VanDerWaalsContact CD1-CE2 3.43Å; L1041-F1084 HydrophobicContact CD1-CZ 3.86Å; L1061-F1084 HydrophobicContact CB-CE1 4.16Å; L1061-F1084 HydrophobicContact CD1-CD1 3.99Å; L1061-F1084 HydrophobicContact CD1-CE1 3.83Å; L1061-F1084 HydrophobicContact CG-CE1 4.4Å; F1084-I1094 HydrophobicContact CB-CG2 3.95Å; F1084-I1094 HydrophobicContact CD1-CG2 3.81Å; F1084-I1094 HydrophobicContact CG-CG2 4.24Å; F1084-Q1095 WeakPolarHBondContact CA-O 3.39Å; F1084-M1096 HydrophobicContact CD1-CB 4.12Å; F1084-M1096 HydrophobicContact CE1-CB 3.82Å; F1084-M1096 HydrophobicContact CE1-CG 4.17Å; F1084-M1096 HydrophobicContact CZ-CG 4.49Å |
| 1085 | T | 81 | Confident | 64 | Low | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 154.2 | 172 | 63.9 | 0 | 0 | 0 | 0 | 111 | I1026 W1027 I1094 Q1095 S1097 L1103 | I1026-T1085 VanDerWaalsContact O-CA 3.28Å; I1026-T1085 WeakPolarHBondContact O-CA 3.42Å; W1027-T1085 HydrophobicContact CD2-CG2 4.28Å; W1027-T1085 HydrophobicContact CE3-CG2 3.63Å; W1027-T1085 HydrophobicContact CH2-CG2 4.04Å; W1027-T1085 HydrophobicContact CZ3-CG2 3.45Å; W1027-T1085 VanDerWaalsContact CZ3-CG2 3.45Å; T1085-I1094 CarbonylContact O-C 3.57Å; T1085-I1094 WeakPolarHBondContact O-CA 3.18Å; T1085-Q1095 PolarHBondContact N-O 3.43Å; T1085-Q1095 PolarHBondContact O-N 2.81Å; T1085-Q1095 VanDerWaalsContact OG1-CG 3.26Å; T1085-Q1095 WeakPolarHBondContact OG1-CG 3.21Å; T1085-Q1095 PolarHBondContact OG1-NE2 2.81Å; T1085-Q1095 VanDerWaalsContact OG1-NE2 3.1Å; T1085-S1097 WeakPolarHBondContact CG2-OG 3.28Å; T1085-S1097 PolarHBondContact OG1-OG 3.2Å; T1085-L1103 HydrophobicContact CG2-CD1 3.41Å; T1085-L1103 VanDerWaalsContact CG2-CD1 3.41Å |
| 1086 | M | 81.8 | Confident | 64.9 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.5 | 163.7 | -175.7 | 174.7 | 60.5 | 0 | 0 | 108 | A1009 M1012 R1013 S1025 I1026 V1028 I1094 | A1009-M1086 HydrophobicContact CB-SD 4.05Å; M1012-M1086 HydrophobicContact CB-CE 3.65Å; R1013-M1086 HydrophobicContact CB-CE 4.4Å; R1013-M1086 HydrophobicContact CG-CE 3.53Å; R1013-M1086 HydrophobicContact CG-CG 4.23Å; R1013-M1086 HydrophobicContact CG-SD 3.77Å; S1025-M1086 VanDerWaalsContact CA-O 3.23Å; S1025-M1086 WeakPolarHBondContact CA-O 3.3Å; I1026-M1086 HydrophobicContact CG2-CB 4.38Å; I1026-M1086 HydrophobicContact CG2-CE 4.09Å; I1026-M1086 PolarHBondContact N-O 2.95Å; I1026-M1086 PolarHBondContact O-N 3.43Å; V1028-M1086 HydrophobicContact CG1-CB 3.99Å; M1086-I1094 HydrophobicContact CB-CG1 4.21Å |
| 1087 | S | 76.6 | Confident | 66.5 | Low | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.5 | 169.2 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | R1013 Y1089 D1090 | R1013-S1087 VanDerWaalsContact CD-O 3.24Å; R1013-S1087 WeakPolarHBondContact CD-O 3.47Å; S1087-Y1089 PolarHBondContact OG-N 2.94Å; S1087-D1090 WeakPolarHBondContact CB-OD2 3.35Å; S1087-D1090 PolarHBondContact OG-N 3.33Å; S1087-D1090 VanDerWaalsContact OG-N 3.15Å; S1087-D1090 PolarHBondContact OG-OD2 2.96Å |
| 1088 | I | 73.7 | Confident | 67.9 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -85.5 | -37.5 | 176.6 | -67.9 | 166.2 | 0 | 0 | 0 | 109.4 | N835 S1016 K1017 S1023 R1024 I1026 | N835-I1088 PolarHBondContact ND2-O 3.22Å; S1016-I1088 VanDerWaalsContact OG-CD1 3.22Å; S1016-I1088 WeakPolarHBondContact OG-CD1 3.31Å; K1017-I1088 HydrophobicContact CD-CG2 3.96Å; K1017-I1088 VanDerWaalsContact CE-CG2 3.44Å; K1017-I1088 WeakPolarHBondContact CE-O 3.21Å; K1017-I1088 HydrophobicContact CG-CG2 3.3Å; K1017-I1088 PolarHBondContact NZ-O 2.99Å; K1017-I1088 VanDerWaalsContact NZ-O 3.09Å; S1023-I1088 VanDerWaalsContact CB-CD1 3.44Å; S1023-I1088 WeakPolarHBondContact O-CD1 3.47Å; R1024-I1088 WeakPolarHBondContact O-CB 3.28Å; R1024-I1088 PolarHBondContact O-N 3.23Å; I1026-I1088 HydrophobicContact CB-CD1 4.21Å; I1026-I1088 HydrophobicContact CB-CG1 4.5Å; I1026-I1088 HydrophobicContact CG2-CG1 4.44Å |
| 1089 | Y | 62.7 | Low | 69.2 | Low | 83 Ų | 83 | 43 Ų | 43 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -98.3 | -20.6 | -173.7 | -68.8 | -67.4 | 0 | 0 | 0 | 114.5 | N835 P1021 S1023 R1024 S1087 | N835-Y1089 PolarHBondContact ND2-O 3.47Å; P1021-Y1089 PolarHBondContact O-OH 3.16Å; S1023-Y1089 WeakPolarHBondContact O-CE2 3.37Å; R1024-Y1089 HydrophobicContact CB-CD2 4.44Å; R1024-Y1089 HydrophobicContact CG-CD2 4.26Å; R1024-Y1089 HydrophobicContact CG-CE2 4.34Å; S1087-Y1089 PolarHBondContact OG-N 2.94Å |
| 1090 | D | 58.1 | Low | 70 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -101.1 | 136.1 | 174.6 | -40.8 | -71.3 | 0 | 0 | 0 | 109.6 | S1087 N1092 | S1087-D1090 WeakPolarHBondContact CB-OD2 3.35Å; S1087-D1090 PolarHBondContact OG-N 3.33Å; S1087-D1090 VanDerWaalsContact OG-N 3.15Å; S1087-D1090 PolarHBondContact OG-OD2 2.96Å; D1090-N1092 PolarHBondContact O-N 3.23Å |
| 1091 | G | 53.5 | Low | 70.4 | Confident | 40 Ų | 40 | 45.1 Ų | 45.1 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | trans | -68.9 | 1.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1092 | N | 50.4 | Low | 70.5 | Confident | 125 Ų | 125 | 49.2 Ų | 49.2 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | trans | -73.8 | 131.8 | -177 | -66.3 | -32.6 | 0 | 0 | 0 | 111.1 | D1090 I1094 | D1090-N1092 PolarHBondContact O-N 3.23Å; N1092-I1094 PolarHBondContact O-N 3.2Å | ||
| 1093 | L | 60.6 | Low | 70.8 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | trans | -70 | -37.2 | -154.1 | -70.9 | 170.1 | 0 | 0 | 0 | 115.9 | A1009 I1056 | A1009-L1093 HydrophobicContact CB-CD2 4.04Å; I1056-L1093 HydrophobicContact CG2-CD1 4.31Å | ||
| 1094 | I | 68.7 | Low | 70.7 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | trans | -163.8 | 156.9 | 171.3 | -94.9 | 138.1 | 0 | 0 | 0 | 108.9 | P1003 V1028 L1030 F1058 L1061 F1084 T1085 M1086 N1092 | P1003-I1094 HydrophobicContact CG-CD1 3.64Å; V1028-I1094 HydrophobicContact CG1-CG1 4.49Å; V1028-I1094 HydrophobicContact CG2-CD1 4.27Å; V1028-I1094 HydrophobicContact CG2-CG1 4.14Å; L1030-I1094 HydrophobicContact CD1-CD1 3.91Å; L1030-I1094 HydrophobicContact CD1-CG2 4.44Å; F1058-I1094 HydrophobicContact CE1-CD1 4.04Å; L1061-I1094 HydrophobicContact CD1-CG2 3.7Å; L1061-I1094 HydrophobicContact CD2-CG2 3.82Å; L1061-I1094 WeakPolarHBondContact CD2-O 3.39Å; L1061-I1094 HydrophobicContact CG-CG2 4.43Å; F1084-I1094 HydrophobicContact CB-CG2 3.95Å; F1084-I1094 HydrophobicContact CD1-CG2 3.81Å; F1084-I1094 HydrophobicContact CG-CG2 4.24Å; T1085-I1094 CarbonylContact O-C 3.57Å; T1085-I1094 WeakPolarHBondContact O-CA 3.18Å; M1086-I1094 HydrophobicContact CB-CG1 4.21Å; N1092-I1094 PolarHBondContact O-N 3.2Å | ||
| 1095 | Q | 65.7 | Low | 70.7 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.4 | 172.2 | 65.1 | -173.6 | -12.7 | 0 | 0 | 111.7 | F1084 T1085 | F1084-Q1095 WeakPolarHBondContact CA-O 3.39Å; T1085-Q1095 PolarHBondContact N-O 3.43Å; T1085-Q1095 PolarHBondContact O-N 2.81Å; T1085-Q1095 VanDerWaalsContact OG1-CG 3.26Å; T1085-Q1095 WeakPolarHBondContact OG1-CG 3.21Å; T1085-Q1095 PolarHBondContact OG1-NE2 2.81Å; T1085-Q1095 VanDerWaalsContact OG1-NE2 3.1Å |
| 1096 | M | 66.7 | Low | 71 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 146.3 | 169.9 | -171.9 | 170.9 | 62.2 | 0 | 0 | 110.3 | M1032 Y1082 F1084 | M1032-M1096 HydrophobicContact CE-SD 4.18Å; Y1082-M1096 HydrophobicContact CD1-SD 4.31Å; Y1082-M1096 HydrophobicContact CG-SD 4.42Å; F1084-M1096 HydrophobicContact CD1-CB 4.12Å; F1084-M1096 HydrophobicContact CE1-CB 3.82Å; F1084-M1096 HydrophobicContact CE1-CG 4.17Å; F1084-M1096 HydrophobicContact CZ-CG 4.49Å |
| 1097 | S | 71.8 | Confident | 71.3 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 162.9 | -175.6 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | C1083 T1085 C1099 | C1083-S1097 PolarHBondContact O-N 2.84Å; T1085-S1097 WeakPolarHBondContact CG2-OG 3.28Å; T1085-S1097 PolarHBondContact OG1-OG 3.2Å; S1097-C1099 PolarHBondContact O-N 3.17Å |
| 1098 | N | 72.5 | Confident | 71.9 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | trans | -77.3 | 121 | 177.9 | -178.8 | -1.6 | 0 | 0 | 0 | 110.6 | W1027 S1100 M1101 | W1027-N1098 WeakPolarHBondContact CH2-O 3.25Å; N1098-S1100 PolarHBondContact O-N 3.43Å; N1098-S1100 PolarHBondContact OD1-N 3.13Å; N1098-S1100 VanDerWaalsContact OD1-N 3.1Å; N1098-M1101 HydrophobicContact CB-CG 4.34Å; N1098-M1101 WeakPolarHBondContact O-CB 3.45Å; N1098-M1101 VanDerWaalsContact O-CG 3.29Å; N1098-M1101 WeakPolarHBondContact O-CG 3.48Å; N1098-M1101 PolarHBondContact O-N 3.09Å | ||
| 1099 | C | 77.6 | Confident | 72.5 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.5 | 179 | -61.8 | 0 | 0 | 0 | 0 | 114.3 | R961 F1081 C1083 S1097 M1101 | R961-C1099 HydrophobicContact CB-CB 4.11Å; R961-C1099 PolarHBondContact N-O 3.21Å; F1081-C1099 PolarHBondContact O-SG 2.81Å; C1083-C1099 HydrophobicContact CB-CB 4.03Å; C1083-C1099 WeakPolarHBondContact CB-SG 3.41Å; C1083-C1099 PolarHBondContact N-SG 2.89Å; C1083-C1099 WeakPolarHBondContact SG-CB 3.29Å; C1083-C1099 CovalentContact SG-SG 2.04Å; C1083-C1099 PolarHBondContact SG-SG 3.26Å; S1097-C1099 PolarHBondContact O-N 3.17Å; C1099-M1101 PolarHBondContact O-N 3.07Å |
| 1100 | S | 71.9 | Confident | 73.4 | Confident | 59 Ų | 59 | 48 Ų | 48 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -0.4 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | Q960 N1098 H1102 | Q960-S1100 PolarHBondContact NE2-O 3.46Å; N1098-S1100 PolarHBondContact O-N 3.43Å; N1098-S1100 PolarHBondContact OD1-N 3.13Å; N1098-S1100 VanDerWaalsContact OD1-N 3.1Å; S1100-H1102 PolarHBondContact O-N 3.44Å |
| 1101 | M | 72 | Confident | 74.1 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -75.6 | 121.3 | 175 | -67.6 | 177.5 | 69.3 | 0 | 0 | 111.1 | W1027 N1098 C1099 L1103 | W1027-M1101 HydrophobicContact CH2-CB 4.48Å; W1027-M1101 HydrophobicContact CZ2-CB 3.99Å; W1027-M1101 VanDerWaalsContact CZ2-O 3.3Å; W1027-M1101 WeakPolarHBondContact CZ2-O 3Å; W1027-M1101 PolarHBondContact NE1-O 3.07Å; N1098-M1101 HydrophobicContact CB-CG 4.34Å; N1098-M1101 WeakPolarHBondContact O-CB 3.45Å; N1098-M1101 VanDerWaalsContact O-CG 3.29Å; N1098-M1101 WeakPolarHBondContact O-CG 3.48Å; N1098-M1101 PolarHBondContact O-N 3.09Å; C1099-M1101 PolarHBondContact O-N 3.07Å; M1101-L1103 HydrophobicContact CB-CD1 4.09Å; M1101-L1103 HydrophobicContact CB-CG 4.06Å; M1101-L1103 HydrophobicContact CE-CD1 4.2Å; M1101-L1103 HydrophobicContact CE-CD2 4.45Å; M1101-L1103 PolarHBondContact O-N 3.34Å; M1101-L1103 VanDerWaalsContact O-N 3.11Å |
| 1102 | H | 75.1 | Confident | 74.3 | Confident | 97 Ų | 97 | 46.2 Ų | 46.2 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | trans | -71.3 | 104.3 | 168.4 | -61 | -85.6 | 0 | 0 | 0 | 109 | D958 S959 Q960 S1100 | D958-H1102 PolarHBondContact O-CE1 3.24Å; D958-H1102 VanDerWaalsContact O-CE1 3.24Å; S959-H1102 PolarHBondContact O-ND1 3.02Å; S959-H1102 VanDerWaalsContact O-ND1 3.09Å; Q960-H1102 WeakPolarHBondContact CG-CE1 3.3Å; Q960-H1102 PolarHBondContact NE2-NE2 2.67Å; S1100-H1102 PolarHBondContact O-N 3.44Å | ||
| 1103 | L | 79.2 | Confident | 73.9 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | trans | -137.8 | 162 | 177.7 | -58.5 | 171.5 | 0 | 0 | 0 | 108.5 | W1027 T1085 M1101 | W1027-L1103 HydrophobicContact CD2-CD1 4.45Å; W1027-L1103 HydrophobicContact CG-CB 4.38Å; W1027-L1103 HydrophobicContact CZ2-CD1 4.19Å; T1085-L1103 HydrophobicContact CG2-CD1 3.41Å; T1085-L1103 VanDerWaalsContact CG2-CD1 3.41Å; M1101-L1103 HydrophobicContact CB-CD1 4.09Å; M1101-L1103 HydrophobicContact CB-CG 4.06Å; M1101-L1103 HydrophobicContact CE-CD1 4.2Å; M1101-L1103 HydrophobicContact CE-CD2 4.45Å; M1101-L1103 PolarHBondContact O-N 3.34Å; M1101-L1103 VanDerWaalsContact O-N 3.11Å | ||
| 1104 | E | 80.9 | Confident | 72.4 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | trans | -68.6 | 169.4 | 172.9 | -71.8 | 174.1 | 165.2 | 0 | 0 | 112.1 | I954 P956 S1020 S1023 I1026 W1027 | I954-E1104 WeakPolarHBondContact O-CA 3.3Å; I954-E1104 WeakPolarHBondContact O-CB 3.5Å; I954-E1104 WeakPolarHBondContact O-CG 3.41Å; P956-E1104 HydrophobicContact CB-CG 4Å; P956-E1104 VanDerWaalsContact CD-CG 3.43Å; P956-E1104 WeakPolarHBondContact CD-OE1 3.31Å; P956-E1104 HydrophobicContact CG-CG 3.86Å; S1020-E1104 VanDerWaalsContact CB-CD 3.42Å; S1020-E1104 WeakPolarHBondContact CB-OE1 3.44Å; S1020-E1104 WeakPolarHBondContact CB-OE2 3.39Å; S1020-E1104 VanDerWaalsContact OG-CD 3.26Å; S1020-E1104 PolarHBondContact OG-OE1 3.4Å; S1020-E1104 PolarHBondContact OG-OE2 3Å; S1023-E1104 VanDerWaalsContact CB-OE2 3.27Å; S1023-E1104 WeakPolarHBondContact CB-OE2 3.28Å; S1023-E1104 PolarHBondContact OG-OE1 3.15Å; S1023-E1104 PolarHBondContact OG-OE2 3.15Å; I1026-E1104 HydrophobicContact CD1-CB 3.82Å; I1026-E1104 HydrophobicContact CG1-CB 3.92Å; I1026-E1104 WeakPolarHBondContact CG1-O 3.12Å; W1027-E1104 VanDerWaalsContact CB-O 3.23Å; W1027-E1104 WeakPolarHBondContact CB-O 3.39Å; W1027-E1104 PolarHBondContact N-O 2.94Å | ||
| 1105 | S | 85 | Confident | 70.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152 | 170.5 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | I954 I970 | I954-S1105 PolarHBondContact N-O 2.93Å; I954-S1105 PolarHBondContact O-N 3.24Å; I970-S1105 WeakPolarHBondContact CG2-OG 3.39Å |
| 1106 | I | 87.6 | Confident | 68.3 | Low | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.5 | 166.6 | -51.6 | -173.3 | 0 | 0 | 0 | 107.4 | Y951 S952 V953 I1000 A1001 M1012 L1015 I1026 | Y951-I1106 HydrophobicContact CD1-CG2 4.4Å; S952-I1106 CarbonylContact O-C 3.53Å; S952-I1106 VanDerWaalsContact O-CA 3.3Å; S952-I1106 WeakPolarHBondContact O-CA 3.31Å; S952-I1106 WeakPolarHBondContact O-CG2 3.24Å; V953-I1106 HydrophobicContact CG2-CG1 4.23Å; I1000-I1106 CarbonylContact C-O 3.55Å; I1000-I1106 VanDerWaalsContact CA-O 3.28Å; I1000-I1106 WeakPolarHBondContact CA-O 3.39Å; I1000-I1106 VanDerWaalsContact CG2-O 3.24Å; I1000-I1106 WeakPolarHBondContact CG2-O 3.43Å; A1001-I1106 HydrophobicContact CB-CB 4.06Å; A1001-I1106 HydrophobicContact CB-CG2 3.8Å; A1001-I1106 PolarHBondContact N-O 3.2Å; M1012-I1106 HydrophobicContact CB-CD1 3.68Å; M1012-I1106 HydrophobicContact CE-CB 4.28Å; M1012-I1106 HydrophobicContact CE-CD1 3.89Å; M1012-I1106 HydrophobicContact CE-CG1 4.49Å; M1012-I1106 HydrophobicContact CG-CD1 4.05Å; M1012-I1106 WeakPolarHBondContact O-CD1 3.12Å; L1015-I1106 HydrophobicContact CD2-CG2 4.15Å; I1026-I1106 HydrophobicContact CD1-CD1 4.01Å; I1026-I1106 HydrophobicContact CD1-CG1 3.39Å; I1026-I1106 HydrophobicContact CG1-CG1 3.93Å; I1026-I1106 HydrophobicContact CG2-CD1 4.2Å; I1026-I1106 HydrophobicContact CG2-CG1 4.38Å |
| 1107 | C | 88.4 | Confident | 66.4 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 152.8 | 172.4 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | F943 Y951 S952 I954 C974 V999 | F943-C1107 HydrophobicContact CE1-CB 4.23Å; F943-C1107 HydrophobicContact CZ-CB 4.27Å; Y951-C1107 CarbonylContact C-O 3.5Å; Y951-C1107 WeakPolarHBondContact CA-O 3.13Å; S952-C1107 PolarHBondContact N-O 3.27Å; S952-C1107 PolarHBondContact O-N 2.04Å; I954-C1107 WeakPolarHBondContact CD1-SG 3.48Å; C974-C1107 WeakPolarHBondContact CA-SG 3.07Å; C974-C1107 HydrophobicContact CB-CB 3.67Å; C974-C1107 WeakPolarHBondContact CB-SG 3.41Å; C974-C1107 WeakPolarHBondContact SG-CB 3.49Å; C974-C1107 CovalentContact SG-SG 2.03Å; C974-C1107 PolarHBondContact SG-SG 2.87Å; V999-C1107 CarbonylContact O-C 3.43Å; V999-C1107 VanDerWaalsContact O-CA 3.24Å; V999-C1107 WeakPolarHBondContact O-CA 3.23Å |
| 1108 | S | 89.2 | Confident | 64.4 | Low | 5 Ų | 5 | 75.4 Ų | 75.4 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 164 | 176.4 | 67.3 | 0 | 0 | 0 | 0 | 115.7 | C950 P998 V999 A1001 | C950-S1108 CarbonylContact O-C 3.57Å; C950-S1108 WeakPolarHBondContact O-CA 3.43Å; C950-S1108 VanDerWaalsContact O-CB 3.23Å; C950-S1108 WeakPolarHBondContact O-CB 3.3Å; P998-S1108 WeakPolarHBondContact CA-O 3.07Å; V999-S1108 PolarHBondContact N-O 3.33Å; V999-S1108 VanDerWaalsContact N-O 3.09Å; V999-S1108 PolarHBondContact O-N 3.25Å; A1001-S1108 WeakPolarHBondContact CA-OG 3.3Å; A1001-S1108 WeakPolarHBondContact CB-OG 3.48Å |
| 1109 | Y | 84.9 | Confident | 62.3 | Low | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.008 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 149.7 | 167 | 58.9 | -88.5 | 0 | 0 | 0 | 113 | S940 F943 T949 C950 T978 G993 T994 I995 P998 L1111 | S940-Y1109 WeakPolarHBondContact CB-OH 3.27Å; S940-Y1109 PolarHBondContact N-OH 3.48Å; F943-Y1109 HydrophobicContact CB-CE1 4.26Å; F943-Y1109 AromaticContact CD1-CD1 3.9Å; F943-Y1109 HydrophobicContact CD1-CD1 3.9Å; F943-Y1109 AromaticContact CD1-CE1 3.38Å; F943-Y1109 HydrophobicContact CD1-CE1 3.38Å; F943-Y1109 AromaticContact CD2-CE1 3.91Å; F943-Y1109 HydrophobicContact CD2-CE1 3.91Å; F943-Y1109 AromaticContact CE1-CD1 3.71Å; F943-Y1109 HydrophobicContact CE1-CD1 3.71Å; F943-Y1109 AromaticContact CE1-CE1 3.53Å; F943-Y1109 HydrophobicContact CE1-CE1 3.53Å; F943-Y1109 HydrophobicContact CE2-CE1 4.01Å; F943-Y1109 AromaticContact CG-CE1 3.58Å; F943-Y1109 HydrophobicContact CG-CE1 3.58Å; F943-Y1109 HydrophobicContact CZ-CD1 4.16Å; F943-Y1109 AromaticContact CZ-CE1 3.84Å; F943-Y1109 HydrophobicContact CZ-CE1 3.84Å; T949-Y1109 CarbonylContact C-O 3.56Å; T949-Y1109 WeakPolarHBondContact CA-O 3.26Å; T949-Y1109 WeakPolarHBondContact CG2-O 3.45Å; C950-Y1109 HydrophobicContact CB-CD1 3.94Å; C950-Y1109 HydrophobicContact CB-CD2 3.84Å; C950-Y1109 HydrophobicContact CB-CE1 3.64Å; C950-Y1109 HydrophobicContact CB-CE2 3.5Å; C950-Y1109 VanDerWaalsContact CB-CE2 3.5Å; C950-Y1109 HydrophobicContact CB-CG 4.06Å; C950-Y1109 PolarHBondContact N-O 3.01Å; C950-Y1109 PolarHBondContact O-N 2.8Å; C950-Y1109 WeakPolarHBondContact SG-CE2 3.28Å; T978-Y1109 HydrophobicContact CG2-CE1 4.18Å; G993-Y1109 CarbonylContact O-C 3.49Å; G993-Y1109 VanDerWaalsContact O-CA 3.32Å; G993-Y1109 WeakPolarHBondContact O-CA 3.48Å; T994-Y1109 VanDerWaalsContact C-CB 3.4Å; T994-Y1109 WeakPolarHBondContact O-CB 3.46Å; I995-Y1109 VanDerWaalsContact CA-CD2 3.45Å; I995-Y1109 HydrophobicContact CB-CD2 3.75Å; I995-Y1109 HydrophobicContact CB-CE2 3.68Å; I995-Y1109 HydrophobicContact CD1-CE2 3.95Å; I995-Y1109 HydrophobicContact CG1-CD2 4.17Å; I995-Y1109 HydrophobicContact CG1-CE2 3.57Å; P998-Y1109 HydrophobicContact CB-CD1 3.94Å; Y1109-L1111 HydrophobicContact CE2-CD2 4.21Å |
| 1110 | K | 81 | Confident | 59.9 | Low | 94 Ų | 94 | 84 Ų | 84 | 41% | 0.409 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.1 | 177 | -73.3 | 163.4 | -177 | 163.6 | 0 | 111.7 | T949 G993 | T949-K1110 HydrophobicContact CG2-CG 4.14Å; T949-K1110 WeakPolarHBondContact OG1-CG 3.49Å; G993-K1110 PolarHBondContact O-N 3.3Å |
| 1111 | L | 73.2 | Confident | 57.7 | Low | 23 Ų | 23 | 89.6 Ų | 89.6 | 12% | 0.12 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 135.2 | 173 | -67.6 | 166 | 0 | 0 | 0 | 110.2 | D938 M945 N948 Y1109 K1113 | D938-L1111 HydrophobicContact CB-CD1 4.07Å; D938-L1111 HydrophobicContact CB-CD2 4.38Å; M945-L1111 HydrophobicContact CG-CD1 3.94Å; M945-L1111 HydrophobicContact SD-CD1 3.52Å; M945-L1111 VanDerWaalsContact SD-CD1 3.52Å; N948-L1111 PolarHBondContact ND2-O 3.12Å; N948-L1111 WeakPolarHBondContact O-CB 3.49Å; N948-L1111 PolarHBondContact O-N 2.97Å; Y1109-L1111 HydrophobicContact CE2-CD2 4.21Å; L1111-K1113 PolarHBondContact O-N 2.71Å |
| 1112 | G | 57.5 | Low | 55.5 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 75% | 0.753 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 131.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1113 | K | 41.9 | Very low | 53.3 | Low | 193 Ų | 193 | 97.8 Ų | 97.8 | 84% | 0.839 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 140.4 | 175.3 | -72.7 | -178.3 | 178.8 | 175.2 | 0 | 111 | L1111 | L1111-K1113 PolarHBondContact O-N 2.71Š|
| 1114 | K | 30 | Very low | 51.1 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 84% | 0.835 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 142.9 | -178.7 | -78.1 | 173.8 | 176.4 | 166.1 | 0 | 112.1 | L1116 | K1114-L1116 PolarHBondContact O-N 3.32Š|
| 1115 | R | 24.3 | Very low | 49.2 | Very low | 232 Ų | 232 | 107.6 Ų | 107.6 | 88% | 0.875 | 54% | 0.539 | S | S | * | . | trans | -45.3 | 130.1 | -172.1 | -63.7 | -178.7 | -179.8 | 178.7 | -0 | 113.8 | ||||
| 1116 | L | 24.4 | Very low | 47.2 | Very low | 165 Ų | 165 | 114 Ų | 114 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 144.4 | 150.8 | -86.2 | 162.6 | 0 | 0 | 0 | 109.6 | K1114 T1118 | K1114-L1116 PolarHBondContact O-N 3.32Å; L1116-T1118 PolarHBondContact O-N 2.7Å |
| 1117 | P | 27 | Very low | 45.6 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 66% | 0.656 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 133.1 | -169.5 | -21.8 | 34.1 | 0 | 0 | 0 | 114.1 | ||
| 1118 | T | 28.6 | Very low | 44.5 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 74% | 0.742 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 140.5 | 155 | 40.8 | 0 | 0 | 0 | 0 | 109.4 | L1116 | L1116-T1118 PolarHBondContact O-N 2.7Š|
| 1119 | N | 28.6 | Very low | 43.6 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 41.6 | 179.3 | -51.6 | -59.9 | 0 | 0 | 0 | 117.7 | K1121 | N1119-K1121 PolarHBondContact O-N 2.7Š|
| 1120 | I | 26.7 | Very low | 43.3 | Very low | 146 Ų | 146 | 126 Ų | 126 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | -72.8 | 99.9 | 120.9 | -64.1 | -178.7 | 0 | 0 | 0 | 105.3 | Q1122 | I1120-Q1122 PolarHBondContact O-N 2.91Š| |||
| 1121 | K | 25.7 | Very low | 43.1 | Very low | 177 Ų | 177 | 123 Ų | 123 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | trans | -57.8 | 121.9 | 160.4 | -73.2 | -178 | 178.5 | 179.5 | 0 | 105.3 | N1119 Q1123 | N1119-K1121 PolarHBondContact O-N 2.7Å; K1121-Q1123 PolarHBondContact O-N 3.01Å | ||
| 1122 | Q | 27.3 | Very low | 43.2 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -57.3 | 104.3 | 172.1 | -72.6 | 172.9 | -28.2 | 0 | 0 | 107.6 | I1120 Q1124 | I1120-Q1122 PolarHBondContact O-N 2.91Å; Q1122-Q1124 PolarHBondContact O-N 2.88Å | ||
| 1123 | Q | 28.8 | Very low | 43.9 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | trans | -59.4 | 98.9 | 144.2 | -84.1 | -174 | -39.2 | 0 | 0 | 103.5 | K1121 V1125 | K1121-Q1123 PolarHBondContact O-N 3.01Å; Q1123-V1125 PolarHBondContact O-N 2.91Å | ||
| 1124 | Q | 31.3 | Very low | 45.9 | Very low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | trans | -71.9 | 83 | -172.8 | -168.9 | 171.9 | 12.6 | 0 | 0 | 107 | Q1122 N1126 | Q1122-Q1124 PolarHBondContact O-N 2.88Å; Q1124-N1126 PolarHBondContact O-N 3.5Å | ||
| 1125 | V | 40.8 | Very low | 48.6 | Very low | 95 Ų | 95 | 117.6 Ų | 117.6 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | trans | -56.2 | 106.4 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 104.8 | Q1123 L1127 L1282 | Q1123-V1125 PolarHBondContact O-N 2.91Å; V1125-L1127 PolarHBondContact O-N 2.96Å; V1125-L1282 HydrophobicContact CG1-CD1 3.61Å | ||
| 1126 | N | 43 | Very low | 51.3 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | trans | -70.5 | 82.2 | 178.4 | -87.3 | -26.1 | 0 | 0 | 0 | 107.6 | Q1124 | Q1124-N1126 PolarHBondContact O-N 3.5Š| ||
| 1127 | L | 54.5 | Low | 54 | Low | 57 Ų | 57 | 103.3 Ų | 103.3 | 30% | 0.298 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 122.7 | 173.5 | -72.5 | 154.3 | 0 | 0 | 0 | 107.5 | V1125 E1139 K1278 L1282 | V1125-L1127 PolarHBondContact O-N 2.96Å; L1127-E1139 HydrophobicContact CD1-CG 4.14Å; L1127-K1278 HydrophobicContact CB-CB 4.32Å; L1127-K1278 HydrophobicContact CB-CD 3.98Å; L1127-K1278 HydrophobicContact CD2-CB 3.92Å; L1127-L1282 HydrophobicContact CD2-CD1 4.1Å |
| 1128 | P | 65.3 | Low | 56.6 | Low | 17 Ų | 17 | 105.7 Ų | 105.7 | 11% | 0.11 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 148.6 | -170.4 | 24.3 | -34.4 | 0 | 0 | 0 | 110.3 | C1130 L1281 L1282 | P1128-C1130 PolarHBondContact O-N 2.88Å; P1128-L1281 HydrophobicContact CB-CB 4.44Å; P1128-L1281 HydrophobicContact CG-CB 3.46Å; P1128-L1281 VanDerWaalsContact CG-CB 3.46Å; P1128-L1281 HydrophobicContact CG-CD1 4.06Å; P1128-L1281 HydrophobicContact CG-CG 4.39Å; P1128-L1282 HydrophobicContact CG-CD2 4.34Å; P1128-L1282 HydrophobicContact CG-CG 4.12Å |
| 1129 | L | 70.2 | Confident | 58.9 | Low | 166 Ų | 166 | 106.4 Ų | 106.4 | 87% | 0.869 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -61 | 138.3 | 175 | -71.6 | 85.1 | 0 | 0 | 0 | 109.2 | ||
| 1130 | C | 80 | Confident | 61.5 | Low | 20 Ų | 20 | 101.4 Ų | 101.4 | 14% | 0.135 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.9 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | P1128 W1134 C1141 K1278 | P1128-C1130 PolarHBondContact O-N 2.88Å; C1130-W1134 HydrophobicContact CB-CB 3.81Å; C1130-C1141 WeakPolarHBondContact CA-SG 3.17Å; C1130-C1141 HydrophobicContact CB-CB 3.81Å; C1130-C1141 WeakPolarHBondContact CB-SG 3.32Å; C1130-C1141 WeakPolarHBondContact SG-CA 3.28Å; C1130-C1141 WeakPolarHBondContact SG-CB 3.2Å; C1130-C1141 CovalentContact SG-SG 2.04Å; C1130-C1141 PolarHBondContact SG-SG 2.78Å; C1130-K1278 VanDerWaalsContact SG-CE 3.6Å |
| 1131 | P | 76.9 | Confident | 64.4 | Low | 31 Ų | 31 | 94.5 Ų | 94.5 | 20% | 0.201 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 150.2 | 179.5 | -27.1 | 37 | 0 | 0 | 0 | 112.6 | G1133 W1134 L1167 L1281 | P1131-G1133 PolarHBondContact O-N 3.21Å; P1131-W1134 WeakPolarHBondContact O-CB 3.42Å; P1131-W1134 PolarHBondContact O-N 3.13Å; P1131-L1167 HydrophobicContact CB-CD1 4.41Å; P1131-L1167 HydrophobicContact CB-CD2 3.7Å; P1131-L1167 HydrophobicContact CG-CD1 3.91Å; P1131-L1167 HydrophobicContact CG-CD2 3.78Å; P1131-L1167 HydrophobicContact CG-CG 4.41Å; P1131-L1281 HydrophobicContact CG-CD1 4.49Å; P1131-L1281 HydrophobicContact CG-CD2 4.39Å |
| 1132 | K | 73.4 | Confident | 67.4 | Low | 223 Ų | 223 | 86.1 Ų | 86.1 | 97% | 0.97 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 111.8 | -175.9 | -174.7 | -177.2 | 179.2 | -176.2 | 0 | 111.3 | ||
| 1133 | G | 72.3 | Confident | 70.2 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.6 | -10.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1131 | P1131-G1133 PolarHBondContact O-N 3.21Š|
| 1134 | W | 85.2 | Confident | 72.9 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 139.4 | 173.5 | -65.2 | 66.5 | 0 | 0 | 0 | 110.1 | C1130 P1131 C1141 Y1142 W1143 K1163 L1167 C1274 F1276 | C1130-W1134 HydrophobicContact CB-CB 3.81Å; P1131-W1134 WeakPolarHBondContact O-CB 3.42Å; P1131-W1134 PolarHBondContact O-N 3.13Å; W1134-C1141 HydrophobicContact CB-CB 4.37Å; W1134-C1141 HydrophobicContact CE3-CB 3.92Å; W1134-Y1142 CarbonylContact C-O 3.58Å; W1134-Y1142 WeakPolarHBondContact CA-O 3.41Å; W1134-W1143 HydrophobicContact CD2-CB 3.63Å; W1134-W1143 HydrophobicContact CD2-CG 4.48Å; W1134-W1143 HydrophobicContact CE3-CB 3.63Å; W1134-W1143 VanDerWaalsContact CE3-N 3.35Å; W1134-W1143 HydrophobicContact CG-CB 4.31Å; W1134-W1143 HydrophobicContact CH2-CB 3.8Å; W1134-W1143 HydrophobicContact CZ2-CB 3.8Å; W1134-W1143 HydrophobicContact CZ2-CG 4.39Å; W1134-W1143 HydrophobicContact CZ3-CB 3.71Å; W1134-K1163 HydrophobicContact CH2-CB 4.45Å; W1134-K1163 HydrophobicContact CZ2-CB 4.11Å; W1134-L1167 HydrophobicContact CD2-CD1 4.47Å; W1134-L1167 HydrophobicContact CH2-CD1 4.45Å; W1134-L1167 HydrophobicContact CZ2-CD1 3.64Å; W1134-C1274 HydrophobicContact CH2-CB 4.47Å; W1134-F1276 HydrophobicContact CE3-CB 4.48Å; W1134-F1276 HydrophobicContact CH2-CB 4.17Å; W1134-F1276 HydrophobicContact CZ3-CB 3.73Å |
| 1135 | I | 85.2 | Confident | 75.2 | Confident | 56 Ų | 56 | 67 Ų | 67 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 149.6 | 175 | 67.4 | 176 | 0 | 0 | 0 | 110.7 | C1141 Y1142 L1144 F1189 R1193 | I1135-C1141 CarbonylContact O-C 3.39Å; I1135-C1141 WeakPolarHBondContact O-CA 3.22Å; I1135-Y1142 PolarHBondContact N-O 3.47Å; I1135-Y1142 PolarHBondContact O-N 2.84Å; I1135-L1144 HydrophobicContact CD1-CD1 3.51Å; I1135-L1144 HydrophobicContact CD1-CD2 4.4Å; I1135-L1144 HydrophobicContact CG1-CD1 3.85Å; I1135-F1189 HydrophobicContact CB-CZ 4.48Å; I1135-F1189 HydrophobicContact CD1-CE1 3.54Å; I1135-F1189 HydrophobicContact CD1-CZ 3.61Å; I1135-F1189 HydrophobicContact CG1-CE1 4.07Å; I1135-F1189 HydrophobicContact CG1-CZ 4.06Å; I1135-R1193 HydrophobicContact CD1-CB 3.83Å; I1135-R1193 HydrophobicContact CD1-CG 3.85Å |
| 1136 | S | 81.7 | Confident | 76.8 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.9 | -176 | 152.3 | 0 | 0 | 0 | 0 | 111.1 | K1278 | S1136-K1278 PolarHBondContact OG-NZ 3.45Å |
| 1137 | F | 81.6 | Confident | 78.2 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.5 | 164.7 | -175.8 | -98.4 | 0 | 0 | 0 | 109.8 | E1139 N1140 Y1142 E1186 F1189 | F1137-E1139 PolarHBondContact O-N 3.33Å; F1137-N1140 PolarHBondContact N-O 3.32Å; F1137-N1140 VanDerWaalsContact N-O 3.16Å; F1137-N1140 PolarHBondContact O-N 2.94Å; F1137-N1140 VanDerWaalsContact O-O 3.06Å; F1137-Y1142 HydrophobicContact CB-CD2 4.16Å; F1137-Y1142 HydrophobicContact CB-CE2 3.75Å; F1137-E1186 HydrophobicContact CD1-CB 4.45Å; F1137-E1186 HydrophobicContact CD1-CG 4.12Å; F1137-E1186 HydrophobicContact CE1-CB 3.64Å; F1137-E1186 HydrophobicContact CE1-CG 3.79Å; F1137-E1186 HydrophobicContact CZ-CB 4.06Å; F1137-F1189 HydrophobicContact CB-CD1 3.82Å; F1137-F1189 HydrophobicContact CB-CE1 3.55Å; F1137-F1189 HydrophobicContact CB-CE2 4.39Å; F1137-F1189 HydrophobicContact CB-CG 4.37Å; F1137-F1189 HydrophobicContact CB-CZ 3.85Å; F1137-F1189 HydrophobicContact CD2-CB 3.93Å; F1137-F1189 AromaticContact CD2-CD1 3.79Å; F1137-F1189 HydrophobicContact CD2-CD1 3.79Å; F1137-F1189 AromaticContact CD2-CD2 3.61Å; F1137-F1189 HydrophobicContact CD2-CD2 3.61Å; F1137-F1189 HydrophobicContact CD2-CE1 4.21Å; F1137-F1189 HydrophobicContact CD2-CE2 4.02Å; F1137-F1189 AromaticContact CD2-CG 3.48Å; F1137-F1189 HydrophobicContact CD2-CG 3.48Å; F1137-F1189 VanDerWaalsContact CD2-CG 3.48Å; F1137-F1189 HydrophobicContact CD2-CZ 4.3Å; F1137-F1189 HydrophobicContact CE2-CB 3.83Å; F1137-F1189 HydrophobicContact CE2-CD2 4.16Å; F1137-F1189 AromaticContact CE2-CG 3.92Å; F1137-F1189 HydrophobicContact CE2-CG 3.92Å; F1137-F1189 AromaticContact CG-CD1 3.9Å; F1137-F1189 HydrophobicContact CG-CD1 3.9Å; F1137-F1189 HydrophobicContact CG-CD2 4.47Å; F1137-F1189 HydrophobicContact CG-CE1 4.14Å; F1137-F1189 HydrophobicContact CG-CG 4.08Å; F1137-F1189 HydrophobicContact CZ-CB 4.47Å |
| 1138 | R | 80.7 | Confident | 79.1 | Confident | 151 Ų | 151 | 69 Ų | 69 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | -119.1 | -172.9 | -60.4 | -179.9 | -177.6 | 167.8 | 4.3 | 111.8 | E1185 K1278 | R1138-E1185 IonicContact NH2-OE2 2.88Å; R1138-K1278 PolarHBondContact O-NZ 3.1Å |
| 1139 | E | 77.2 | Confident | 79.6 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 64% | 0.64 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.4 | -177.8 | -57.2 | -167.7 | 162.5 | 0 | 0 | 113.6 | L1127 F1137 K1278 | L1127-E1139 HydrophobicContact CD1-CG 4.14Å; F1137-E1139 PolarHBondContact O-N 3.33Å; E1139-K1278 WeakPolarHBondContact O-CB 3.14Å; E1139-K1278 WeakPolarHBondContact O-CD 3.4Å; E1139-K1278 WeakPolarHBondContact O-CG 3.41Å; E1139-K1278 PolarHBondContact O-N 2.71Å |
| 1140 | N | 83.4 | Confident | 80.1 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 154.8 | -175.8 | -74.6 | -16.4 | 0 | 0 | 0 | 112.7 | F1137 Y1142 Q1275 K1278 | F1137-N1140 PolarHBondContact N-O 3.32Å; F1137-N1140 VanDerWaalsContact N-O 3.16Å; F1137-N1140 PolarHBondContact O-N 2.94Å; F1137-N1140 VanDerWaalsContact O-O 3.06Å; N1140-Y1142 HydrophobicContact CB-CD2 4.29Å; N1140-Y1142 HydrophobicContact CB-CE2 3.34Å; N1140-Y1142 VanDerWaalsContact CB-OH 3.27Å; N1140-Y1142 WeakPolarHBondContact CB-OH 3.31Å; N1140-Y1142 PolarHBondContact ND2-OH 3.43Å; N1140-Q1275 HydrophobicContact CB-CG 4.45Å; N1140-Q1275 PolarHBondContact ND2-NE2 2.75Å; N1140-K1278 VanDerWaalsContact O-CE 3.31Å; N1140-K1278 WeakPolarHBondContact O-CE 3.44Å |
| 1141 | C | 86.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.2 | 167 | -65.9 | 0 | 0 | 0 | 0 | 109.1 | C1130 W1134 I1135 Q1275 F1276 K1278 | C1130-C1141 WeakPolarHBondContact CA-SG 3.17Å; C1130-C1141 HydrophobicContact CB-CB 3.81Å; C1130-C1141 WeakPolarHBondContact CB-SG 3.32Å; C1130-C1141 WeakPolarHBondContact SG-CA 3.28Å; C1130-C1141 WeakPolarHBondContact SG-CB 3.2Å; C1130-C1141 CovalentContact SG-SG 2.04Å; C1130-C1141 PolarHBondContact SG-SG 2.78Å; W1134-C1141 HydrophobicContact CB-CB 4.37Å; W1134-C1141 HydrophobicContact CE3-CB 3.92Å; I1135-C1141 CarbonylContact O-C 3.39Å; I1135-C1141 WeakPolarHBondContact O-CA 3.22Å; C1141-Q1275 CarbonylContact O-C 3.56Å; C1141-Q1275 WeakPolarHBondContact O-CA 3.3Å; C1141-F1276 PolarHBondContact N-O 3.17Å; C1141-F1276 PolarHBondContact O-N 3.07Å; C1141-K1278 WeakPolarHBondContact SG-CG 3.48Å |
| 1142 | Y | 89.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.6 | 178.9 | -56.3 | -102.2 | 0 | 0 | 0 | 109.9 | W1134 I1135 F1137 N1140 A1179 E1186 L1190 I1273 C1274 Q1275 | W1134-Y1142 CarbonylContact C-O 3.58Å; W1134-Y1142 WeakPolarHBondContact CA-O 3.41Å; I1135-Y1142 PolarHBondContact N-O 3.47Å; I1135-Y1142 PolarHBondContact O-N 2.84Å; F1137-Y1142 HydrophobicContact CB-CD2 4.16Å; F1137-Y1142 HydrophobicContact CB-CE2 3.75Å; N1140-Y1142 HydrophobicContact CB-CD2 4.29Å; N1140-Y1142 HydrophobicContact CB-CE2 3.34Å; N1140-Y1142 VanDerWaalsContact CB-OH 3.27Å; N1140-Y1142 WeakPolarHBondContact CB-OH 3.31Å; N1140-Y1142 PolarHBondContact ND2-OH 3.43Å; Y1142-A1179 HydrophobicContact CD1-CB 4.13Å; Y1142-A1179 HydrophobicContact CE1-CB 4.2Å; Y1142-E1186 PolarHBondContact OH-OE1 2.72Å; Y1142-L1190 HydrophobicContact CD1-CD2 3.73Å; Y1142-L1190 HydrophobicContact CE1-CD2 4.17Å; Y1142-L1190 HydrophobicContact CG-CD2 4.05Å; Y1142-I1273 HydrophobicContact CD1-CG2 4.22Å; Y1142-C1274 CarbonylContact C-O 3.56Å; Y1142-C1274 WeakPolarHBondContact CA-O 3.34Å; Y1142-Q1275 HydrophobicContact CD1-CB 4.14Å; Y1142-Q1275 HydrophobicContact CE1-CB 4.1Å; Y1142-Q1275 HydrophobicContact CE1-CG 4.15Å |
| 1143 | W | 86.4 | Confident | 81.5 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 16% | 0.163 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.6 | 167.7 | -177.8 | 56.8 | 0 | 0 | 0 | 108.6 | W1134 P1145 V1159 K1163 F1272 C1274 | W1134-W1143 HydrophobicContact CD2-CB 3.63Å; W1134-W1143 HydrophobicContact CD2-CG 4.48Å; W1134-W1143 HydrophobicContact CE3-CB 3.63Å; W1134-W1143 VanDerWaalsContact CE3-N 3.35Å; W1134-W1143 HydrophobicContact CG-CB 4.31Å; W1134-W1143 HydrophobicContact CH2-CB 3.8Å; W1134-W1143 HydrophobicContact CZ2-CB 3.8Å; W1134-W1143 HydrophobicContact CZ2-CG 4.39Å; W1134-W1143 HydrophobicContact CZ3-CB 3.71Å; W1143-P1145 HydrophobicContact CE3-CG 4.03Å; W1143-P1145 HydrophobicContact CH2-CB 3.87Å; W1143-P1145 HydrophobicContact CH2-CG 3.95Å; W1143-P1145 HydrophobicContact CZ2-CB 4.23Å; W1143-P1145 HydrophobicContact CZ2-CG 4.5Å; W1143-P1145 HydrophobicContact CZ3-CB 4.17Å; W1143-P1145 HydrophobicContact CZ3-CG 3.71Å; W1143-V1159 HydrophobicContact CZ3-CG1 4.09Å; W1143-K1163 HydrophobicContact CD2-CD 4.45Å; W1143-K1163 HydrophobicContact CE3-CD 4.11Å; W1143-K1163 HydrophobicContact CE3-CG 3.92Å; W1143-K1163 HydrophobicContact CH2-CD 4.28Å; W1143-K1163 VanDerWaalsContact CH2-CE 3.46Å; W1143-K1163 HydrophobicContact CZ3-CD 4.02Å; W1143-K1163 HydrophobicContact CZ3-CG 3.89Å; W1143-F1272 HydrophobicContact CZ3-CE2 4.16Å; W1143-F1272 HydrophobicContact CZ3-CZ 4.43Å; W1143-C1274 HydrophobicContact CB-CB 4.27Å; W1143-C1274 HydrophobicContact CE3-CB 4.43Å; W1143-C1274 PolarHBondContact N-O 3.04Å; W1143-C1274 PolarHBondContact O-N 3.48Å |
| 1144 | L | 85.9 | Confident | 82 | Confident | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | trans | -99.6 | 113.8 | 172.3 | -76.1 | 73.2 | 0 | 0 | 0 | 106.8 | I1135 R1193 I1273 | I1135-L1144 HydrophobicContact CD1-CD1 3.51Å; I1135-L1144 HydrophobicContact CD1-CD2 4.4Å; I1135-L1144 HydrophobicContact CG1-CD1 3.85Å; L1144-R1193 HydrophobicContact CD2-CB 3.77Å; L1144-R1193 VanDerWaalsContact CD2-O 3.26Å; L1144-R1193 WeakPolarHBondContact CD2-O 3.27Å; L1144-I1273 HydrophobicContact CD1-CG2 3.88Å; L1144-I1273 HydrophobicContact CD2-CD1 4.37Å; L1144-I1273 HydrophobicContact CG-CD1 4.19Å; L1144-I1273 HydrophobicContact CG-CG1 4.22Å; L1144-I1273 HydrophobicContact CG-CG2 4.11Å | ||
| 1145 | P | 79.7 | Confident | 81.8 | Confident | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | trans | -62.2 | 176.5 | 170.3 | -16.9 | 31.3 | 0 | 0 | 0 | 112.2 | W1143 D1149 F1272 | W1143-P1145 HydrophobicContact CE3-CG 4.03Å; W1143-P1145 HydrophobicContact CH2-CB 3.87Å; W1143-P1145 HydrophobicContact CH2-CG 3.95Å; W1143-P1145 HydrophobicContact CZ2-CB 4.23Å; W1143-P1145 HydrophobicContact CZ2-CG 4.5Å; W1143-P1145 HydrophobicContact CZ3-CB 4.17Å; W1143-P1145 HydrophobicContact CZ3-CG 3.71Å; P1145-D1149 HydrophobicContact CB-CB 3.51Å; P1145-F1272 HydrophobicContact CB-CZ 4.48Å; P1145-F1272 WeakPolarHBondContact CD-O 3.37Å; P1145-F1272 HydrophobicContact CG-CD1 4.32Å; P1145-F1272 HydrophobicContact CG-CD2 3.87Å; P1145-F1272 HydrophobicContact CG-CE1 4.15Å; P1145-F1272 HydrophobicContact CG-CE2 3.71Å; P1145-F1272 HydrophobicContact CG-CG 4.17Å; P1145-F1272 HydrophobicContact CG-CZ 3.85Å; P1145-F1272 WeakPolarHBondContact CG-O 3.48Å | ||
| 1146 | S | 73.7 | Confident | 81.9 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | trans | -65.3 | 155.7 | 165.1 | -164.8 | 0 | 0 | 0 | 0 | 111 | R1148 D1149 | S1146-R1148 PolarHBondContact O-N 2.96Å; S1146-D1149 VanDerWaalsContact CB-OD2 3.22Å; S1146-D1149 WeakPolarHBondContact CB-OD2 3.49Å; S1146-D1149 PolarHBondContact N-OD2 3.2Å; S1146-D1149 WeakPolarHBondContact O-CB 3.28Å; S1146-D1149 PolarHBondContact O-N 2.93Å | ||
| 1147 | V | 72 | Confident | 82.2 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | 169.3 | -168.7 | 0 | 0 | 0 | 0 | 112.3 | R1150 L1195 S1271 | V1147-R1150 WeakPolarHBondContact O-CG 3.09Å; V1147-R1150 PolarHBondContact O-NE 2.85Å; V1147-R1150 VanDerWaalsContact O-NE 3.16Å; V1147-L1195 VanDerWaalsContact CG2-C 3.44Å; V1147-L1195 HydrophobicContact CG2-CB 3.23Å; V1147-L1195 WeakPolarHBondContact CG2-O 3.37Å; V1147-S1271 PolarHBondContact O-OG 3.07Å |
| 1148 | R | 73.7 | Confident | 82.2 | Confident | 226 Ų | 226 | 54.8 Ų | 54.8 | 85% | 0.853 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.3 | 174.8 | -60.1 | -176.6 | 178 | -164.8 | -2.1 | 113.5 | S1146 R1150 | S1146-R1148 PolarHBondContact O-N 2.96Å; R1148-R1150 VanDerWaalsContact C-N 3.3Å; R1148-R1150 PolarHBondContact O-N 3.23Å |
| 1149 | D | 76.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | trans | -86.1 | 79.9 | -178.8 | -54.8 | -28.7 | 0 | 0 | 0 | 107.3 | P1145 S1146 F1272 | P1145-D1149 HydrophobicContact CB-CB 3.51Å; S1146-D1149 VanDerWaalsContact CB-OD2 3.22Å; S1146-D1149 WeakPolarHBondContact CB-OD2 3.49Å; S1146-D1149 PolarHBondContact N-OD2 3.2Å; S1146-D1149 WeakPolarHBondContact O-CB 3.28Å; S1146-D1149 PolarHBondContact O-N 2.93Å; D1149-F1272 WeakPolarHBondContact O-CD1 3.27Å; D1149-F1272 WeakPolarHBondContact O-CE1 3.38Å | ||
| 1150 | R | 80.3 | Confident | 83 | Confident | 107 Ų | 107 | 42.3 Ų | 42.3 | 40% | 0.404 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 143.4 | 176 | -55.2 | -168.9 | 176.2 | -163 | -5.5 | 109.6 | V1147 R1148 E1269 K1270 | V1147-R1150 WeakPolarHBondContact O-CG 3.09Å; V1147-R1150 PolarHBondContact O-NE 2.85Å; V1147-R1150 VanDerWaalsContact O-NE 3.16Å; R1148-R1150 VanDerWaalsContact C-N 3.3Å; R1148-R1150 PolarHBondContact O-N 3.23Å; R1150-E1269 HydrophobicContact CB-CB 4.1Å; R1150-K1270 WeakPolarHBondContact CA-O 3.37Å; R1150-K1270 WeakPolarHBondContact CB-O 3.46Å |
| 1151 | T | 83.6 | Confident | 83 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 173.3 | 170.2 | -160.6 | 0 | 0 | 0 | 0 | 111.6 | N1155 A1156 W1200 E1269 K1270 F1272 | T1151-N1155 HydrophobicContact CG2-CB 3.47Å; T1151-N1155 VanDerWaalsContact CG2-CB 3.47Å; T1151-N1155 VanDerWaalsContact OG1-CB 3.3Å; T1151-N1155 WeakPolarHBondContact OG1-CB 3.21Å; T1151-N1155 PolarHBondContact OG1-ND2 3.16Å; T1151-N1155 VanDerWaalsContact OG1-ND2 3.1Å; T1151-A1156 HydrophobicContact CG2-CB 3.96Å; T1151-W1200 PolarHBondContact O-NE1 3.44Å; T1151-E1269 WeakPolarHBondContact CA-OE1 3.34Å; T1151-E1269 PolarHBondContact OG1-OE1 3.06Å; T1151-K1270 PolarHBondContact N-O 3.27Å; T1151-K1270 VanDerWaalsContact N-O 3.08Å; T1151-F1272 HydrophobicContact CG2-CD1 4.36Å; T1151-F1272 HydrophobicContact CG2-CE1 4Å |
| 1152 | S | 85.4 | Confident | 82.5 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -58.7 | 154.4 | 176 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | S1154 N1155 A1156 C1266 E1268 | S1152-S1154 VanDerWaalsContact C-N 3.25Å; S1152-S1154 PolarHBondContact O-N 2.88Å; S1152-S1154 PolarHBondContact OG-OG 3.02Å; S1152-N1155 PolarHBondContact O-N 3.47Å; S1152-N1155 WeakPolarHBondContact OG-CB 3.33Å; S1152-N1155 VanDerWaalsContact OG-CG 3.29Å; S1152-N1155 PolarHBondContact OG-N 2.94Å; S1152-N1155 PolarHBondContact OG-ND2 3.31Å; S1152-A1156 WeakPolarHBondContact O-CB 3.43Å; S1152-A1156 PolarHBondContact O-N 2.77Å; S1152-C1266 WeakPolarHBondContact CB-O 3.38Å; S1152-E1268 WeakPolarHBondContact CA-O 3.44Å | ||
| 1153 | W | 90.4 | Very high | 81.9 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.5 | -41.5 | -179 | -174.2 | 98.7 | 0 | 0 | 0 | 112.3 | A1156 E1157 L1178 W1200 I1201 K1204 C1249 C1266 | W1153-A1156 PolarHBondContact O-N 3.29Å; W1153-E1157 HydrophobicContact CH2-CG 4.5Å; W1153-E1157 HydrophobicContact CZ3-CB 4.37Å; W1153-E1157 HydrophobicContact CZ3-CG 4.5Å; W1153-E1157 WeakPolarHBondContact O-CB 3.48Å; W1153-E1157 PolarHBondContact O-N 3.18Å; W1153-L1178 HydrophobicContact CD2-CD1 3.9Å; W1153-L1178 HydrophobicContact CG-CD1 3.92Å; W1153-L1178 HydrophobicContact CZ2-CD1 4.15Å; W1153-W1200 HydrophobicContact CB-CD2 4.08Å; W1153-W1200 HydrophobicContact CB-CE3 4.39Å; W1153-W1200 HydrophobicContact CB-CG 4.5Å; W1153-W1200 HydrophobicContact CB-CH2 4.49Å; W1153-W1200 HydrophobicContact CB-CZ2 4.17Å; W1153-W1200 AromaticContact CD1-CD2 3.99Å; W1153-W1200 AromaticContact CD1-CE3 3.76Å; W1153-W1200 HydrophobicContact CG-CD2 4.48Å; W1153-W1200 HydrophobicContact CG-CE3 4.49Å; W1153-I1201 PolarHBondContact NE1-O 3.12Å; W1153-K1204 HydrophobicContact CH2-CD 3.81Å; W1153-K1204 HydrophobicContact CH2-CG 4.45Å; W1153-K1204 HydrophobicContact CZ2-CB 4.3Å; W1153-K1204 HydrophobicContact CZ2-CD 4.29Å; W1153-K1204 HydrophobicContact CZ2-CG 4.45Å; W1153-K1204 HydrophobicContact CZ3-CD 4.35Å; W1153-C1249 HydrophobicContact CB-CB 3.95Å; W1153-C1249 HydrophobicContact CD2-CB 4.31Å; W1153-C1249 HydrophobicContact CG-CB 3.69Å; W1153-C1266 HydrophobicContact CB-CB 4.25Å; W1153-C1266 WeakPolarHBondContact CB-O 3.35Å; W1153-C1266 PolarHBondContact N-O 3.03Å |
| 1154 | S | 81.9 | Confident | 81.3 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71 | -31.5 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | S1152 R1158 | S1152-S1154 VanDerWaalsContact C-N 3.25Å; S1152-S1154 PolarHBondContact O-N 2.88Å; S1152-S1154 PolarHBondContact OG-OG 3.02Å; S1154-R1158 PolarHBondContact O-N 3.41Å |
| 1155 | N | 82.1 | Confident | 80.3 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.9 | -39.2 | 170.1 | -77.4 | -19.1 | 0 | 0 | 0 | 111.4 | T1151 S1152 R1158 V1159 | T1151-N1155 HydrophobicContact CG2-CB 3.47Å; T1151-N1155 VanDerWaalsContact CG2-CB 3.47Å; T1151-N1155 VanDerWaalsContact OG1-CB 3.3Å; T1151-N1155 WeakPolarHBondContact OG1-CB 3.21Å; T1151-N1155 PolarHBondContact OG1-ND2 3.16Å; T1151-N1155 VanDerWaalsContact OG1-ND2 3.1Å; S1152-N1155 PolarHBondContact O-N 3.47Å; S1152-N1155 WeakPolarHBondContact OG-CB 3.33Å; S1152-N1155 VanDerWaalsContact OG-CG 3.29Å; S1152-N1155 PolarHBondContact OG-N 2.94Å; S1152-N1155 PolarHBondContact OG-ND2 3.31Å; N1155-R1158 PolarHBondContact O-N 3.27Å; N1155-R1158 VanDerWaalsContact OD1-CZ 3.29Å; N1155-R1158 PolarHBondContact OD1-NH1 2.83Å; N1155-R1158 PolarHBondContact OD1-NH2 3.18Å; N1155-V1159 WeakPolarHBondContact O-CG2 3.4Å; N1155-V1159 PolarHBondContact O-N 3.09Å |
| 1156 | A | 87.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -46.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1151 S1152 W1153 R1158 V1159 C1160 L1178 F1272 | T1151-A1156 HydrophobicContact CG2-CB 3.96Å; S1152-A1156 WeakPolarHBondContact O-CB 3.43Å; S1152-A1156 PolarHBondContact O-N 2.77Å; W1153-A1156 PolarHBondContact O-N 3.29Å; A1156-R1158 VanDerWaalsContact C-N 3.35Å; A1156-R1158 PolarHBondContact O-N 2.87Å; A1156-V1159 PolarHBondContact O-N 2.91Å; A1156-V1159 VanDerWaalsContact O-N 3.16Å; A1156-C1160 PolarHBondContact O-N 3Å; A1156-C1160 PolarHBondContact O-SG 2.68Å; A1156-L1178 HydrophobicContact CB-CD1 4.34Å; A1156-L1178 HydrophobicContact CB-CD2 3.87Å; A1156-L1178 HydrophobicContact CB-CG 4.47Å; A1156-F1272 HydrophobicContact CB-CB 3.74Å; A1156-F1272 HydrophobicContact CB-CD1 3.85Å; A1156-F1272 HydrophobicContact CB-CD2 3.84Å; A1156-F1272 HydrophobicContact CB-CE1 4.39Å; A1156-F1272 HydrophobicContact CB-CE2 4.37Å; A1156-F1272 HydrophobicContact CB-CG 3.56Å |
| 1157 | E | 88.3 | Confident | 79.1 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 170.5 | 177.2 | 60.5 | -153.6 | 0 | 0 | 111.5 | W1153 V1159 C1160 Q1161 H1177 L1178 S1221 | W1153-E1157 HydrophobicContact CH2-CG 4.5Å; W1153-E1157 HydrophobicContact CZ3-CB 4.37Å; W1153-E1157 HydrophobicContact CZ3-CG 4.5Å; W1153-E1157 WeakPolarHBondContact O-CB 3.48Å; W1153-E1157 PolarHBondContact O-N 3.18Å; E1157-V1159 PolarHBondContact O-N 2.84Å; E1157-C1160 WeakPolarHBondContact O-CB 3.27Å; E1157-C1160 PolarHBondContact O-N 3.2Å; E1157-C1160 VanDerWaalsContact O-N 3.15Å; E1157-Q1161 WeakPolarHBondContact O-CG 3.25Å; E1157-Q1161 PolarHBondContact O-N 2.97Å; E1157-Q1161 PolarHBondContact OE1-NE2 3.21Å; E1157-H1177 IonicContact OE1-CE1 3.09Å; E1157-H1177 IonicContact OE1-CG 3.78Å; E1157-H1177 IonicContact OE1-ND1 3.39Å; E1157-H1177 PolarHBondContact OE1-ND1 2.97Å; E1157-L1178 HydrophobicContact CB-CD1 3.98Å; E1157-L1178 HydrophobicContact CB-CG 4.2Å; E1157-L1178 PolarHBondContact OE2-N 2.67Å; E1157-S1221 WeakPolarHBondContact OE2-CB 3.24Å; E1157-S1221 PolarHBondContact OE2-OG 2.59Å |
| 1158 | R | 81.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.6 | -173.2 | 177.8 | 66.9 | -101.9 | 3.2 | 112.5 | S1154 N1155 A1156 C1160 Q1161 E1162 | S1154-R1158 PolarHBondContact O-N 3.41Å; N1155-R1158 PolarHBondContact O-N 3.27Å; N1155-R1158 VanDerWaalsContact OD1-CZ 3.29Å; N1155-R1158 PolarHBondContact OD1-NH1 2.83Å; N1155-R1158 PolarHBondContact OD1-NH2 3.18Å; A1156-R1158 VanDerWaalsContact C-N 3.35Å; A1156-R1158 PolarHBondContact O-N 2.87Å; R1158-C1160 VanDerWaalsContact C-N 3.29Å; R1158-C1160 PolarHBondContact O-N 3.23Å; R1158-Q1161 PolarHBondContact O-N 3.25Å; R1158-E1162 HydrophobicContact CG-CG 4.47Å; R1158-E1162 IonicContact NE-OE1 3.53Å; R1158-E1162 WeakPolarHBondContact O-CG 3.25Å; R1158-E1162 PolarHBondContact O-N 3.5Å |
| 1159 | V | 84.3 | Confident | 77.5 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.158 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.6 | -35.1 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111 | W1143 N1155 A1156 E1157 K1163 F1272 | W1143-V1159 HydrophobicContact CZ3-CG1 4.09Å; N1155-V1159 WeakPolarHBondContact O-CG2 3.4Å; N1155-V1159 PolarHBondContact O-N 3.09Å; A1156-V1159 PolarHBondContact O-N 2.91Å; A1156-V1159 VanDerWaalsContact O-N 3.16Å; E1157-V1159 PolarHBondContact O-N 2.84Å; V1159-K1163 HydrophobicContact CG1-CG 4.05Å; V1159-K1163 VanDerWaalsContact O-CB 3.23Å; V1159-K1163 WeakPolarHBondContact O-CB 3.4Å; V1159-K1163 WeakPolarHBondContact O-CG 3.48Å; V1159-K1163 PolarHBondContact O-N 2.8Å; V1159-F1272 HydrophobicContact CB-CE2 4.1Å; V1159-F1272 HydrophobicContact CB-CZ 4.11Å; V1159-F1272 HydrophobicContact CG1-CE2 3.85Å; V1159-F1272 HydrophobicContact CG1-CZ 3.8Å |
| 1160 | C | 89.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 173 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | A1156 E1157 R1158 K1163 A1164 G1176 H1177 C1274 | A1156-C1160 PolarHBondContact O-N 3Å; A1156-C1160 PolarHBondContact O-SG 2.68Å; E1157-C1160 WeakPolarHBondContact O-CB 3.27Å; E1157-C1160 PolarHBondContact O-N 3.2Å; E1157-C1160 VanDerWaalsContact O-N 3.15Å; R1158-C1160 VanDerWaalsContact C-N 3.29Å; R1158-C1160 PolarHBondContact O-N 3.23Å; C1160-K1163 PolarHBondContact O-N 3.33Å; C1160-A1164 PolarHBondContact O-N 2.8Å; C1160-G1176 CarbonylContact C-O 3.52Å; C1160-G1176 VanDerWaalsContact C-O 3.22Å; C1160-H1177 VanDerWaalsContact CB-C 3.46Å; C1160-H1177 WeakPolarHBondContact CB-O 3.46Å; C1160-H1177 PolarHBondContact SG-O 3.45Å; C1160-C1274 WeakPolarHBondContact CA-SG 3.34Å; C1160-C1274 HydrophobicContact CB-CB 3.6Å; C1160-C1274 WeakPolarHBondContact CB-SG 3.36Å; C1160-C1274 WeakPolarHBondContact SG-CA 3.32Å; C1160-C1274 WeakPolarHBondContact SG-CB 3.48Å; C1160-C1274 CovalentContact SG-SG 2.04Å; C1160-C1274 PolarHBondContact SG-SG 2.74Å |
| 1161 | Q | 83.4 | Confident | 74.1 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 176 | -65.4 | 173.1 | 10.6 | 0 | 0 | 111.1 | E1157 R1158 K1163 A1164 G1165 G1176 | E1157-Q1161 WeakPolarHBondContact O-CG 3.25Å; E1157-Q1161 PolarHBondContact O-N 2.97Å; E1157-Q1161 PolarHBondContact OE1-NE2 3.21Å; R1158-Q1161 PolarHBondContact O-N 3.25Å; Q1161-K1163 PolarHBondContact O-N 3.1Å; Q1161-A1164 PolarHBondContact O-N 2.87Å; Q1161-G1165 PolarHBondContact O-N 2.93Å; Q1161-G1176 WeakPolarHBondContact CA-O 3.23Å; Q1161-G1176 WeakPolarHBondContact CG-O 3.37Å; Q1161-G1176 PolarHBondContact N-O 3.2Å |
| 1162 | E | 76.3 | Confident | 72.2 | Confident | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 174.9 | -72.9 | 175 | -159 | 0 | 0 | 112.4 | R1158 G1165 Y1166 | R1158-E1162 HydrophobicContact CG-CG 4.47Å; R1158-E1162 IonicContact NE-OE1 3.53Å; R1158-E1162 WeakPolarHBondContact O-CG 3.25Å; R1158-E1162 PolarHBondContact O-N 3.5Å; E1162-G1165 PolarHBondContact O-N 2.79Å; E1162-Y1166 PolarHBondContact O-N 3.17Å |
| 1163 | K | 77.2 | Confident | 70.4 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 179.3 | -75.2 | -78.2 | 179.4 | 174.9 | 0 | 112.5 | W1134 W1143 V1159 C1160 Q1161 | W1134-K1163 HydrophobicContact CH2-CB 4.45Å; W1134-K1163 HydrophobicContact CZ2-CB 4.11Å; W1143-K1163 HydrophobicContact CD2-CD 4.45Å; W1143-K1163 HydrophobicContact CE3-CD 4.11Å; W1143-K1163 HydrophobicContact CE3-CG 3.92Å; W1143-K1163 HydrophobicContact CH2-CD 4.28Å; W1143-K1163 VanDerWaalsContact CH2-CE 3.46Å; W1143-K1163 HydrophobicContact CZ3-CD 4.02Å; W1143-K1163 HydrophobicContact CZ3-CG 3.89Å; V1159-K1163 HydrophobicContact CG1-CG 4.05Å; V1159-K1163 VanDerWaalsContact O-CB 3.23Å; V1159-K1163 WeakPolarHBondContact O-CB 3.4Å; V1159-K1163 WeakPolarHBondContact O-CG 3.48Å; V1159-K1163 PolarHBondContact O-N 2.8Å; C1160-K1163 PolarHBondContact O-N 3.33Å; Q1161-K1163 PolarHBondContact O-N 3.1Å |
| 1164 | A | 74.2 | Confident | 68.7 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1160 Q1161 Y1166 L1167 V1168 G1176 F1276 | C1160-A1164 PolarHBondContact O-N 2.8Å; Q1161-A1164 PolarHBondContact O-N 2.87Å; A1164-Y1166 PolarHBondContact O-N 3.15Å; A1164-L1167 WeakPolarHBondContact O-CA 3.39Å; A1164-L1167 WeakPolarHBondContact O-CB 3.39Å; A1164-L1167 PolarHBondContact O-N 2.8Å; A1164-V1168 PolarHBondContact O-N 3.2Å; A1164-G1176 VanDerWaalsContact CB-CA 3.41Å; A1164-F1276 HydrophobicContact CB-CD2 3.5Å; A1164-F1276 VanDerWaalsContact CB-CD2 3.5Å; A1164-F1276 HydrophobicContact CB-CE2 3.81Å; A1164-F1276 HydrophobicContact CB-CG 4.36Å |
| 1165 | G | 65.7 | Low | 67.9 | Low | 28 Ų | 28 | 70.2 Ų | 70.2 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -16.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1161 E1162 V1168 | Q1161-G1165 PolarHBondContact O-N 2.93Å; E1162-G1165 PolarHBondContact O-N 2.79Å; G1165-V1168 CarbonylContact C-O 3.53Å |
| 1166 | Y | 64.6 | Low | 67.8 | Low | 200 Ų | 200 | 68.9 Ų | 68.9 | 78% | 0.784 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -82.9 | -23.2 | 169.3 | -162.3 | -87 | 0 | 0 | 0 | 113.2 | E1162 A1164 | E1162-Y1166 PolarHBondContact O-N 3.17Å; A1164-Y1166 PolarHBondContact O-N 3.15Å |
| 1167 | L | 62.9 | Low | 68.1 | Low | 40 Ų | 40 | 70.6 Ų | 70.6 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -85.6 | -41 | 173.1 | -61.7 | 168.1 | 0 | 0 | 0 | 110.9 | P1131 W1134 A1164 Q1284 | P1131-L1167 HydrophobicContact CB-CD1 4.41Å; P1131-L1167 HydrophobicContact CB-CD2 3.7Å; P1131-L1167 HydrophobicContact CG-CD1 3.91Å; P1131-L1167 HydrophobicContact CG-CD2 3.78Å; P1131-L1167 HydrophobicContact CG-CG 4.41Å; W1134-L1167 HydrophobicContact CD2-CD1 4.47Å; W1134-L1167 HydrophobicContact CH2-CD1 4.45Å; W1134-L1167 HydrophobicContact CZ2-CD1 3.64Å; A1164-L1167 WeakPolarHBondContact O-CA 3.39Å; A1164-L1167 WeakPolarHBondContact O-CB 3.39Å; A1164-L1167 PolarHBondContact O-N 2.8Å; L1167-Q1284 PolarHBondContact O-NE2 3.23Å |
| 1168 | V | 60.3 | Low | 68.3 | Low | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -92.7 | 98.9 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | A1164 G1165 H1170 F1276 Q1284 | A1164-V1168 PolarHBondContact O-N 3.2Å; G1165-V1168 CarbonylContact C-O 3.53Å; V1168-H1170 PolarHBondContact O-N 2.94Å; V1168-F1276 HydrophobicContact CG2-CE1 4.48Å; V1168-F1276 HydrophobicContact CG2-CE2 3.79Å; V1168-F1276 HydrophobicContact CG2-CZ 3.42Å; V1168-F1276 VanDerWaalsContact CG2-CZ 3.42Å; V1168-Q1284 VanDerWaalsContact CA-NE2 3.35Å |
| 1169 | N | 50.7 | Low | 68.7 | Low | 125 Ų | 125 | 65.6 Ų | 65.6 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | trans | -61.1 | 28.5 | -174.6 | -85.3 | 3.7 | 0 | 0 | 0 | 117 | ||||
| 1170 | H | 44.7 | Very low | 68.9 | Low | 111 Ų | 111 | 64.3 Ų | 64.3 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | trans | -115.6 | 125.1 | 171.6 | -73.6 | -88.8 | 0 | 0 | 0 | 110.1 | V1168 S1172 S1173 | V1168-H1170 PolarHBondContact O-N 2.94Å; H1170-S1172 PolarHBondContact O-N 2.77Å; H1170-S1173 PolarHBondContact O-N 2.85Å | ||
| 1171 | R | 42.1 | Very low | 68.7 | Low | 257 Ų | 257 | 64.3 Ų | 64.3 | 97% | 0.97 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 26.2 | 179.9 | -59.3 | -175.9 | -179.2 | 178.8 | 0.1 | 114.6 | ||
| 1172 | S | 43.5 | Very low | 68.6 | Low | 109 Ų | 109 | 64 Ų | 64 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.9 | 20.1 | -173.8 | -46.4 | 0 | 0 | 0 | 0 | 112.9 | H1170 | H1170-S1172 PolarHBondContact O-N 2.77Š|
| 1173 | S | 47.3 | Very low | 68.5 | Low | 19 Ų | 19 | 59.2 Ų | 59.2 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -101.3 | 93.8 | 179.2 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | H1170 N1175 | H1170-S1173 PolarHBondContact O-N 2.85Å; S1173-N1175 PolarHBondContact O-N 2.9Å; S1173-N1175 VanDerWaalsContact O-N 3.15Å; S1173-N1175 PolarHBondContact OG-OD1 2.91Å | ||
| 1174 | N | 54.2 | Low | 68.4 | Low | 99 Ų | 99 | 58 Ų | 58 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | trans | -77 | 9.7 | -177.8 | -67.2 | 6.8 | 0 | 0 | 0 | 113.9 | G1176 H1177 | N1174-G1176 PolarHBondContact O-N 3.14Å; N1174-H1177 PolarHBondContact O-CE1 2.8Å; N1174-H1177 PolarHBondContact O-NE2 3.42Å | ||
| 1175 | N | 65.8 | Low | 68.3 | Low | 57 Ų | 57 | 63.4 Ų | 63.4 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | trans | -65.6 | 1.2 | -165.9 | -58.5 | 42.2 | 0 | 0 | 0 | 116.6 | S1173 F1276 D1280 | S1173-N1175 PolarHBondContact O-N 2.9Å; S1173-N1175 VanDerWaalsContact O-N 3.15Å; S1173-N1175 PolarHBondContact OG-OD1 2.91Å; N1175-F1276 HydrophobicContact CB-CD2 4.28Å; N1175-F1276 HydrophobicContact CB-CE2 3.85Å; N1175-F1276 WeakPolarHBondContact O-CD2 3.4Å; N1175-D1280 WeakPolarHBondContact CB-OD2 3.47Å; N1175-D1280 PolarHBondContact ND2-OD2 2.92Å | ||
| 1176 | G | 80.6 | Confident | 69.2 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -104.1 | 119.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1160 Q1161 A1164 N1174 | C1160-G1176 CarbonylContact C-O 3.52Å; C1160-G1176 VanDerWaalsContact C-O 3.22Å; Q1161-G1176 WeakPolarHBondContact CA-O 3.23Å; Q1161-G1176 WeakPolarHBondContact CG-O 3.37Å; Q1161-G1176 PolarHBondContact N-O 3.2Å; A1164-G1176 VanDerWaalsContact CB-CA 3.41Å; N1174-G1176 PolarHBondContact O-N 3.14Å | ||
| 1177 | H | 92.1 | Very high | 70.1 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 168.3 | -173 | -63.4 | -66.8 | 0 | 0 | 0 | 110.9 | E1157 C1160 N1174 S1221 D1222 C1274 Q1275 | E1157-H1177 IonicContact OE1-CE1 3.09Å; E1157-H1177 IonicContact OE1-CG 3.78Å; E1157-H1177 IonicContact OE1-ND1 3.39Å; E1157-H1177 PolarHBondContact OE1-ND1 2.97Å; C1160-H1177 VanDerWaalsContact CB-C 3.46Å; C1160-H1177 WeakPolarHBondContact CB-O 3.46Å; C1160-H1177 PolarHBondContact SG-O 3.45Å; N1174-H1177 PolarHBondContact O-CE1 2.8Å; N1174-H1177 PolarHBondContact O-NE2 3.42Å; H1177-S1221 PolarHBondContact ND1-O 2.9Å; H1177-D1222 HydrophobicContact CB-CB 3.83Å; H1177-D1222 VanDerWaalsContact CD2-CB 3.48Å; H1177-D1222 WeakPolarHBondContact CD2-CB 3.36Å; H1177-C1274 CarbonylContact O-C 3.55Å; H1177-C1274 VanDerWaalsContact O-CA 3.3Å; H1177-C1274 WeakPolarHBondContact O-CA 3.35Å; H1177-Q1275 PolarHBondContact N-O 3.07Å; H1177-Q1275 PolarHBondContact O-N 2.81Å |
| 1178 | L | 93 | Very high | 70.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 149.3 | 159.1 | -77.8 | 170.1 | 0 | 0 | 0 | 110.7 | W1153 A1156 E1157 S1180 W1200 F1272 I1273 | W1153-L1178 HydrophobicContact CD2-CD1 3.9Å; W1153-L1178 HydrophobicContact CG-CD1 3.92Å; W1153-L1178 HydrophobicContact CZ2-CD1 4.15Å; A1156-L1178 HydrophobicContact CB-CD1 4.34Å; A1156-L1178 HydrophobicContact CB-CD2 3.87Å; A1156-L1178 HydrophobicContact CB-CG 4.47Å; E1157-L1178 HydrophobicContact CB-CD1 3.98Å; E1157-L1178 HydrophobicContact CB-CG 4.2Å; E1157-L1178 PolarHBondContact OE2-N 2.67Å; L1178-S1180 PolarHBondContact O-N 3.4Å; L1178-W1200 HydrophobicContact CD2-CB 4.37Å; L1178-F1272 HydrophobicContact CD2-CB 3.72Å; L1178-F1272 HydrophobicContact CD2-CD2 4.25Å; L1178-F1272 HydrophobicContact CD2-CG 4.41Å; L1178-I1273 CarbonylContact C-O 3.57Å; L1178-I1273 WeakPolarHBondContact CA-O 3.19Å |
| 1179 | A | 89.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1142 L1190 I1201 G1202 I1273 Q1275 | Y1142-A1179 HydrophobicContact CD1-CB 4.13Å; Y1142-A1179 HydrophobicContact CE1-CB 4.2Å; A1179-L1190 HydrophobicContact CB-CD1 4.13Å; A1179-I1201 WeakPolarHBondContact O-CB 3.29Å; A1179-G1202 PolarHBondContact O-N 2.88Å; A1179-I1273 HydrophobicContact CB-CB 4.02Å; A1179-I1273 HydrophobicContact CB-CG2 3.99Å; A1179-I1273 PolarHBondContact N-O 2.76Å; A1179-Q1275 HydrophobicContact CB-CB 4.34Å |
| 1180 | S | 89.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 158.9 | 161.2 | 69.5 | 0 | 0 | 0 | 0 | 109.5 | L1178 H1182 D1222 Q1275 | L1178-S1180 PolarHBondContact O-N 3.4Å; S1180-H1182 WeakPolarHBondContact CB-NE2 3.08Å; S1180-H1182 PolarHBondContact OG-CD2 2.86Å; S1180-H1182 PolarHBondContact OG-NE2 3.12Å; S1180-D1222 PolarHBondContact OG-OD2 3.4Å; S1180-Q1275 PolarHBondContact O-OE1 2.74Å; S1180-Q1275 PolarHBondContact OG-NE2 3.35Å; S1180-Q1275 PolarHBondContact OG-OE1 3.37Å |
| 1181 | V | 84.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -140.6 | 106.6 | -174.7 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | E1186 L1187 L1190 I1201 W1220 F1228 W1261 | V1181-E1186 HydrophobicContact CG1-CB 4.46Å; V1181-E1186 HydrophobicContact CG1-CG 4.38Å; V1181-L1187 HydrophobicContact CG1-CB 3.72Å; V1181-L1187 HydrophobicContact CG1-CD1 4.23Å; V1181-L1187 HydrophobicContact CG1-CG 4.5Å; V1181-L1190 HydrophobicContact CG2-CD1 4.03Å; V1181-I1201 HydrophobicContact CG2-CG2 4.1Å; V1181-W1220 HydrophobicContact CB-CH2 3.83Å; V1181-W1220 HydrophobicContact CB-CZ2 4.28Å; V1181-W1220 HydrophobicContact CG2-CH2 4.11Å; V1181-W1220 VanDerWaalsContact N-CH2 3.3Å; V1181-W1220 VanDerWaalsContact O-CZ2 3.29Å; V1181-W1220 WeakPolarHBondContact O-CZ2 3.32Å; V1181-F1228 HydrophobicContact CB-CD1 4.42Å; V1181-F1228 HydrophobicContact CG1-CD1 3.83Å; V1181-F1228 HydrophobicContact CG1-CE1 3.75Å; V1181-F1228 WeakPolarHBondContact O-CD1 3.28Å; V1181-W1261 HydrophobicContact CB-CZ2 4.12Å; V1181-W1261 HydrophobicContact CG1-CZ2 4.4Å | ||
| 1182 | H | 80.9 | Confident | 77.1 | Confident | 48 Ų | 48 | 39 Ų | 39 | 22% | 0.222 | 21% | 0.213 | C | C | . | . | trans | -107.8 | -1.9 | -172 | -60.5 | -69.6 | 0 | 0 | 0 | 113.4 | S1180 E1186 W1220 S1224 V1225 D1227 | S1180-H1182 WeakPolarHBondContact CB-NE2 3.08Å; S1180-H1182 PolarHBondContact OG-CD2 2.86Å; S1180-H1182 PolarHBondContact OG-NE2 3.12Å; H1182-E1186 PolarHBondContact N-OE2 3.23Å; H1182-W1220 AromaticContact CE1-CD1 3.99Å; H1182-W1220 AromaticContact CE1-NE1 3.74Å; H1182-S1224 PolarHBondContact CE1-OG 3.49Å; H1182-S1224 VanDerWaalsContact CE1-OG 3.23Å; H1182-S1224 PolarHBondContact NE2-OG 2.83Å; H1182-V1225 PolarHBondContact CE1-O 3.46Å; H1182-V1225 VanDerWaalsContact CE1-O 3.24Å; H1182-V1225 PolarHBondContact ND1-O 2.77Å; H1182-D1227 IonicContact CE1-OD1 2.64Å; H1182-D1227 IonicContact CG-OD1 2.71Å; H1182-D1227 IonicContact ND1-OD1 3.22Å; H1182-D1227 PolarHBondContact ND1-OD1 2.79Å; H1182-D1227 IonicContact ND1-OD2 2.76Å | ||
| 1183 | S | 75.4 | Confident | 79 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -155.3 | 163.6 | 170.5 | 88.4 | 0 | 0 | 0 | 0 | 114.4 | E1185 E1186 L1187 | S1183-E1185 VanDerWaalsContact C-N 3.3Å; S1183-E1185 WeakPolarHBondContact CB-OE2 3.32Å; S1183-E1185 PolarHBondContact O-N 3.3Å; S1183-E1185 PolarHBondContact OG-N 2.89Å; S1183-E1185 PolarHBondContact OG-OE2 2.71Å; S1183-E1186 WeakPolarHBondContact O-CB 3.48Å; S1183-E1186 PolarHBondContact O-N 2.79Å; S1183-E1186 PolarHBondContact OG-N 2.85Å; S1183-L1187 PolarHBondContact O-N 3.46Å |
| 1184 | S | 74.3 | Confident | 80.6 | Confident | 59 Ų | 59 | 41 Ų | 41 | 41% | 0.413 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -34.3 | 174.9 | -168.7 | 0 | 0 | 0 | 0 | 112 | E1186 L1187 Q1188 | S1184-E1186 VanDerWaalsContact C-N 3.32Å; S1184-E1186 PolarHBondContact O-N 3.03Å; S1184-L1187 PolarHBondContact O-N 3.48Å; S1184-Q1188 VanDerWaalsContact O-CB 3.26Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.12Å; S1184-Q1188 WeakPolarHBondContact O-CG 3.47Å; S1184-Q1188 PolarHBondContact O-N 2.99Å |
| 1185 | E | 72.9 | Confident | 81.6 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 53% | 0.533 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.1 | -30.3 | 175.1 | -48.9 | 75.9 | -159.9 | 0 | 0 | 112.3 | R1138 S1183 F1189 | R1138-E1185 IonicContact NH2-OE2 2.88Å; S1183-E1185 VanDerWaalsContact C-N 3.3Å; S1183-E1185 WeakPolarHBondContact CB-OE2 3.32Å; S1183-E1185 PolarHBondContact O-N 3.3Å; S1183-E1185 PolarHBondContact OG-N 2.89Å; S1183-E1185 PolarHBondContact OG-OE2 2.71Å; E1185-F1189 VanDerWaalsContact O-CB 3.23Å; E1185-F1189 WeakPolarHBondContact O-CB 3.01Å; E1185-F1189 PolarHBondContact O-N 2.93Å |
| 1186 | E | 83.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.3 | -48.8 | 172.2 | -176.4 | 163.5 | -137.1 | 0 | 0 | 110.9 | F1137 Y1142 V1181 H1182 S1183 S1184 Q1188 F1189 L1190 | F1137-E1186 HydrophobicContact CD1-CB 4.45Å; F1137-E1186 HydrophobicContact CD1-CG 4.12Å; F1137-E1186 HydrophobicContact CE1-CB 3.64Å; F1137-E1186 HydrophobicContact CE1-CG 3.79Å; F1137-E1186 HydrophobicContact CZ-CB 4.06Å; Y1142-E1186 PolarHBondContact OH-OE1 2.72Å; V1181-E1186 HydrophobicContact CG1-CB 4.46Å; V1181-E1186 HydrophobicContact CG1-CG 4.38Å; H1182-E1186 PolarHBondContact N-OE2 3.23Å; S1183-E1186 WeakPolarHBondContact O-CB 3.48Å; S1183-E1186 PolarHBondContact O-N 2.79Å; S1183-E1186 PolarHBondContact OG-N 2.85Å; S1184-E1186 VanDerWaalsContact C-N 3.32Å; S1184-E1186 PolarHBondContact O-N 3.03Å; E1186-Q1188 VanDerWaalsContact C-N 3.3Å; E1186-Q1188 PolarHBondContact O-N 3.43Å; E1186-F1189 WeakPolarHBondContact O-CB 3.27Å; E1186-F1189 PolarHBondContact O-N 3.44Å; E1186-F1189 VanDerWaalsContact O-N 3.08Å; E1186-L1190 WeakPolarHBondContact O-CG 3.33Å; E1186-L1190 PolarHBondContact O-N 2.71Å |
| 1187 | L | 83.7 | Confident | 81.8 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55 | -47.4 | 173.5 | -174.9 | 58.9 | 0 | 0 | 0 | 110.8 | V1181 S1183 S1184 L1190 I1191 F1228 V1230 V1252 | V1181-L1187 HydrophobicContact CG1-CB 3.72Å; V1181-L1187 HydrophobicContact CG1-CD1 4.23Å; V1181-L1187 HydrophobicContact CG1-CG 4.5Å; S1183-L1187 PolarHBondContact O-N 3.46Å; S1184-L1187 PolarHBondContact O-N 3.48Å; L1187-L1190 PolarHBondContact O-N 2.78Å; L1187-I1191 HydrophobicContact CD1-CD1 4.13Å; L1187-I1191 HydrophobicContact CD1-CG1 4.49Å; L1187-I1191 HydrophobicContact CD2-CD1 4.47Å; L1187-I1191 HydrophobicContact CG-CD1 3.74Å; L1187-I1191 WeakPolarHBondContact O-CB 3.35Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.49Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; L1187-I1191 PolarHBondContact O-N 3.42Å; L1187-F1228 HydrophobicContact CB-CE1 3.99Å; L1187-F1228 HydrophobicContact CB-CZ 4.22Å; L1187-F1228 HydrophobicContact CD2-CE1 3.87Å; L1187-F1228 HydrophobicContact CD2-CZ 3.9Å; L1187-F1228 HydrophobicContact CG-CE1 4.47Å; L1187-V1230 HydrophobicContact CD2-CG2 3.82Å; L1187-V1252 HydrophobicContact CD1-CB 4.5Å; L1187-V1252 HydrophobicContact CD1-CG1 3.89Å; L1187-V1252 HydrophobicContact CD1-CG2 3.76Å |
| 1188 | Q | 76.6 | Confident | 81.4 | Confident | 87 Ų | 87 | 43.3 Ų | 43.3 | 41% | 0.407 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.2 | -73.6 | -66.5 | -34.4 | 0 | 0 | 112.9 | S1184 E1186 N1192 | S1184-Q1188 VanDerWaalsContact O-CB 3.26Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.12Å; S1184-Q1188 WeakPolarHBondContact O-CG 3.47Å; S1184-Q1188 PolarHBondContact O-N 2.99Å; E1186-Q1188 VanDerWaalsContact C-N 3.3Å; E1186-Q1188 PolarHBondContact O-N 3.43Å; Q1188-N1192 VanDerWaalsContact O-CB 3.28Å; Q1188-N1192 WeakPolarHBondContact O-CB 3Å; Q1188-N1192 PolarHBondContact O-N 2.74Å; Q1188-N1192 PolarHBondContact O-ND2 3.42Å; Q1188-N1192 PolarHBondContact OE1-ND2 3.07Å |
| 1189 | F | 84.5 | Confident | 81.2 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.6 | 171.7 | -91.3 | 0 | 0 | 0 | 111.4 | I1135 F1137 E1185 E1186 R1193 | I1135-F1189 HydrophobicContact CB-CZ 4.48Å; I1135-F1189 HydrophobicContact CD1-CE1 3.54Å; I1135-F1189 HydrophobicContact CD1-CZ 3.61Å; I1135-F1189 HydrophobicContact CG1-CE1 4.07Å; I1135-F1189 HydrophobicContact CG1-CZ 4.06Å; F1137-F1189 HydrophobicContact CB-CD1 3.82Å; F1137-F1189 HydrophobicContact CB-CE1 3.55Å; F1137-F1189 HydrophobicContact CB-CE2 4.39Å; F1137-F1189 HydrophobicContact CB-CG 4.37Å; F1137-F1189 HydrophobicContact CB-CZ 3.85Å; F1137-F1189 HydrophobicContact CD2-CB 3.93Å; F1137-F1189 AromaticContact CD2-CD1 3.79Å; F1137-F1189 HydrophobicContact CD2-CD1 3.79Å; F1137-F1189 AromaticContact CD2-CD2 3.61Å; F1137-F1189 HydrophobicContact CD2-CD2 3.61Å; F1137-F1189 HydrophobicContact CD2-CE1 4.21Å; F1137-F1189 HydrophobicContact CD2-CE2 4.02Å; F1137-F1189 AromaticContact CD2-CG 3.48Å; F1137-F1189 HydrophobicContact CD2-CG 3.48Å; F1137-F1189 VanDerWaalsContact CD2-CG 3.48Å; F1137-F1189 HydrophobicContact CD2-CZ 4.3Å; F1137-F1189 HydrophobicContact CE2-CB 3.83Å; F1137-F1189 HydrophobicContact CE2-CD2 4.16Å; F1137-F1189 AromaticContact CE2-CG 3.92Å; F1137-F1189 HydrophobicContact CE2-CG 3.92Å; F1137-F1189 AromaticContact CG-CD1 3.9Å; F1137-F1189 HydrophobicContact CG-CD1 3.9Å; F1137-F1189 HydrophobicContact CG-CD2 4.47Å; F1137-F1189 HydrophobicContact CG-CE1 4.14Å; F1137-F1189 HydrophobicContact CG-CG 4.08Å; F1137-F1189 HydrophobicContact CZ-CB 4.47Å; E1185-F1189 VanDerWaalsContact O-CB 3.23Å; E1185-F1189 WeakPolarHBondContact O-CB 3.01Å; E1185-F1189 PolarHBondContact O-N 2.93Å; E1186-F1189 WeakPolarHBondContact O-CB 3.27Å; E1186-F1189 PolarHBondContact O-N 3.44Å; E1186-F1189 VanDerWaalsContact O-N 3.08Å; F1189-R1193 PolarHBondContact O-N 3.26Å |
| 1190 | L | 86.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.9 | -66 | -176.3 | 0 | 0 | 0 | 111.2 | Y1142 A1179 V1181 E1186 L1187 R1193 S1194 F1199 I1273 | Y1142-L1190 HydrophobicContact CD1-CD2 3.73Å; Y1142-L1190 HydrophobicContact CE1-CD2 4.17Å; Y1142-L1190 HydrophobicContact CG-CD2 4.05Å; A1179-L1190 HydrophobicContact CB-CD1 4.13Å; V1181-L1190 HydrophobicContact CG2-CD1 4.03Å; E1186-L1190 WeakPolarHBondContact O-CG 3.33Å; E1186-L1190 PolarHBondContact O-N 2.71Å; L1187-L1190 PolarHBondContact O-N 2.78Å; L1190-R1193 CarbonylContact O-C 3.45Å; L1190-R1193 PolarHBondContact O-N 3.15Å; L1190-S1194 VanDerWaalsContact O-CB 3.3Å; L1190-S1194 WeakPolarHBondContact O-CB 3.41Å; L1190-S1194 PolarHBondContact O-N 3.5Å; L1190-F1199 HydrophobicContact CB-CZ 4.39Å; L1190-I1273 HydrophobicContact CB-CD1 3.95Å; L1190-I1273 HydrophobicContact CD1-CD1 4.4Å; L1190-I1273 HydrophobicContact CD2-CD1 4.13Å; L1190-I1273 HydrophobicContact CD2-CG2 4.18Å; L1190-I1273 HydrophobicContact CG-CD1 4.39Å |
| 1191 | I | 82.1 | Confident | 81.4 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 175.1 | -70.2 | 161 | 0 | 0 | 0 | 111.5 | L1187 R1193 S1194 F1199 Y1259 | L1187-I1191 HydrophobicContact CD1-CD1 4.13Å; L1187-I1191 HydrophobicContact CD1-CG1 4.49Å; L1187-I1191 HydrophobicContact CD2-CD1 4.47Å; L1187-I1191 HydrophobicContact CG-CD1 3.74Å; L1187-I1191 WeakPolarHBondContact O-CB 3.35Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.49Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; L1187-I1191 PolarHBondContact O-N 3.42Å; I1191-R1193 PolarHBondContact O-N 3.42Å; I1191-S1194 PolarHBondContact O-N 3Å; I1191-S1194 VanDerWaalsContact O-N 3.12Å; I1191-F1199 HydrophobicContact CG1-CE1 4.4Å; I1191-F1199 HydrophobicContact CG1-CZ 4.28Å; I1191-Y1259 HydrophobicContact CB-CD1 4.47Å; I1191-Y1259 HydrophobicContact CD1-CD1 3.8Å; I1191-Y1259 HydrophobicContact CD1-CD2 3.98Å; I1191-Y1259 HydrophobicContact CD1-CG 3.44Å; I1191-Y1259 VanDerWaalsContact CD1-CG 3.44Å; I1191-Y1259 HydrophobicContact CG1-CD1 3.61Å; I1191-Y1259 HydrophobicContact CG1-CD2 4.38Å; I1191-Y1259 HydrophobicContact CG1-CE1 4.07Å; I1191-Y1259 HydrophobicContact CG1-CG 3.79Å; I1191-Y1259 HydrophobicContact CG2-CD1 4.06Å; I1191-Y1259 HydrophobicContact CG2-CD2 3.87Å; I1191-Y1259 HydrophobicContact CG2-CE1 3.81Å; I1191-Y1259 HydrophobicContact CG2-CE2 3.66Å; I1191-Y1259 HydrophobicContact CG2-CG 4.1Å |
| 1192 | N | 78 | Confident | 81.6 | Confident | 104 Ų | 104 | 43.4 Ų | 43.4 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -4.1 | -177.2 | -77.1 | -75.5 | 0 | 0 | 0 | 114.1 | Q1188 | Q1188-N1192 VanDerWaalsContact O-CB 3.28Å; Q1188-N1192 WeakPolarHBondContact O-CB 3Å; Q1188-N1192 PolarHBondContact O-N 2.74Å; Q1188-N1192 PolarHBondContact O-ND2 3.42Å; Q1188-N1192 PolarHBondContact OE1-ND2 3.07Å |
| 1193 | R | 83.2 | Confident | 81.9 | Confident | 146 Ų | 146 | 41.1 Ų | 41.1 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -19 | 170.9 | -88 | 75.2 | -168.3 | 76.9 | 5.7 | 112.9 | I1135 L1144 F1189 L1190 I1191 L1195 | I1135-R1193 HydrophobicContact CD1-CB 3.83Å; I1135-R1193 HydrophobicContact CD1-CG 3.85Å; L1144-R1193 HydrophobicContact CD2-CB 3.77Å; L1144-R1193 VanDerWaalsContact CD2-O 3.26Å; L1144-R1193 WeakPolarHBondContact CD2-O 3.27Å; F1189-R1193 PolarHBondContact O-N 3.26Å; L1190-R1193 CarbonylContact O-C 3.45Å; L1190-R1193 PolarHBondContact O-N 3.15Å; I1191-R1193 PolarHBondContact O-N 3.42Å; R1193-L1195 PolarHBondContact O-N 2.92Å |
| 1194 | S | 80.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | trans | -60.9 | 133.5 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | L1190 I1191 S1196 | L1190-S1194 VanDerWaalsContact O-CB 3.3Å; L1190-S1194 WeakPolarHBondContact O-CB 3.41Å; L1190-S1194 PolarHBondContact O-N 3.5Å; I1191-S1194 PolarHBondContact O-N 3Å; I1191-S1194 VanDerWaalsContact O-N 3.12Å; S1194-S1196 VanDerWaalsContact C-N 3.32Å; S1194-S1196 PolarHBondContact OG-N 3.38Å; S1194-S1196 PolarHBondContact OG-O 3.3Å | ||
| 1195 | L | 74.9 | Confident | 81.9 | Confident | 145 Ų | 145 | 41.4 Ų | 41.4 | 76% | 0.759 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -93.4 | 0.7 | 170.4 | -62.4 | 173.7 | 0 | 0 | 0 | 111.1 | V1147 R1193 | V1147-L1195 VanDerWaalsContact CG2-C 3.44Å; V1147-L1195 HydrophobicContact CG2-CB 3.23Å; V1147-L1195 WeakPolarHBondContact CG2-O 3.37Å; R1193-L1195 PolarHBondContact O-N 2.92Å |
| 1196 | S | 77.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | trans | -119.4 | 137.9 | -178.7 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | S1194 S1198 S1271 | S1194-S1196 VanDerWaalsContact C-N 3.32Å; S1194-S1196 PolarHBondContact OG-N 3.38Å; S1194-S1196 PolarHBondContact OG-O 3.3Å; S1196-S1198 PolarHBondContact O-N 3.31Å; S1196-S1198 PolarHBondContact OG-N 2.05Å; S1196-S1198 PolarHBondContact OG-O 3.28Å; S1196-S1271 WeakPolarHBondContact CB-OG 3.13Å; S1196-S1271 PolarHBondContact OG-OG 3.33Å | ||
| 1197 | S | 73.6 | Confident | 79.6 | Confident | 69 Ų | 69 | 42.6 Ų | 42.6 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -74.4 | -7.6 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 114 | T1253 D1254 | S1197-T1253 CarbonylContact O-C 3.54Å; S1197-T1253 WeakPolarHBondContact O-CA 3.48Å; S1197-D1254 PolarHBondContact O-N 2.8Å |
| 1198 | S | 83.9 | Confident | 77.5 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 125 | 176.7 | 179 | 0 | 0 | 0 | 0 | 110.2 | S1196 V1252 | S1196-S1198 PolarHBondContact O-N 3.31Å; S1196-S1198 PolarHBondContact OG-N 2.05Å; S1196-S1198 PolarHBondContact OG-O 3.28Å; S1198-V1252 CarbonylContact C-O 3.59Å; S1198-V1252 VanDerWaalsContact CA-O 3.28Å; S1198-V1252 WeakPolarHBondContact CA-O 3.29Å |
| 1199 | F | 88.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 142.5 | 177.5 | 60.6 | -91.4 | 0 | 0 | 0 | 115.1 | L1190 I1191 I1201 S1251 V1252 S1271 I1273 | L1190-F1199 HydrophobicContact CB-CZ 4.39Å; I1191-F1199 HydrophobicContact CG1-CE1 4.4Å; I1191-F1199 HydrophobicContact CG1-CZ 4.28Å; F1199-I1201 HydrophobicContact CD2-CG2 4.05Å; F1199-I1201 HydrophobicContact CE2-CG2 3.89Å; F1199-S1251 CarbonylContact O-C 3.47Å; F1199-S1251 WeakPolarHBondContact O-CA 2.93Å; F1199-S1251 WeakPolarHBondContact O-CB 3.46Å; F1199-V1252 HydrophobicContact CD1-CB 4.39Å; F1199-V1252 HydrophobicContact CD2-CB 4.2Å; F1199-V1252 HydrophobicContact CD2-CG2 4.29Å; F1199-V1252 HydrophobicContact CE1-CB 4.01Å; F1199-V1252 HydrophobicContact CE1-CG1 4.11Å; F1199-V1252 HydrophobicContact CE2-CB 3.8Å; F1199-V1252 HydrophobicContact CE2-CG1 4.46Å; F1199-V1252 HydrophobicContact CE2-CG2 3.69Å; F1199-V1252 HydrophobicContact CG-CB 4.49Å; F1199-V1252 HydrophobicContact CZ-CB 3.7Å; F1199-V1252 HydrophobicContact CZ-CG1 3.9Å; F1199-V1252 HydrophobicContact CZ-CG2 3.95Å; F1199-V1252 PolarHBondContact N-O 2.78Å; F1199-V1252 PolarHBondContact O-N 3.36Å; F1199-S1271 CarbonylContact C-O 3.54Å; F1199-S1271 WeakPolarHBondContact CA-O 3.3Å; F1199-S1271 WeakPolarHBondContact CB-O 3.49Å; F1199-I1273 HydrophobicContact CD2-CD1 3.66Å; F1199-I1273 HydrophobicContact CD2-CG1 3.85Å; F1199-I1273 HydrophobicContact CE2-CD1 3.54Å; F1199-I1273 HydrophobicContact CE2-CG1 4.23Å; F1199-I1273 HydrophobicContact CG-CD1 4.25Å; F1199-I1273 HydrophobicContact CG-CG1 4.36Å; F1199-I1273 HydrophobicContact CZ-CD1 4.03Å |
| 1200 | W | 93.1 | Very high | 73.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 141.3 | 171.1 | -72.8 | 129.2 | 0 | 0 | 0 | 112.6 | T1151 W1153 L1178 C1249 N1264 D1265 E1268 K1270 S1271 F1272 I1273 | T1151-W1200 PolarHBondContact O-NE1 3.44Å; W1153-W1200 HydrophobicContact CB-CD2 4.08Å; W1153-W1200 HydrophobicContact CB-CE3 4.39Å; W1153-W1200 HydrophobicContact CB-CG 4.5Å; W1153-W1200 HydrophobicContact CB-CH2 4.49Å; W1153-W1200 HydrophobicContact CB-CZ2 4.17Å; W1153-W1200 AromaticContact CD1-CD2 3.99Å; W1153-W1200 AromaticContact CD1-CE3 3.76Å; W1153-W1200 HydrophobicContact CG-CD2 4.48Å; W1153-W1200 HydrophobicContact CG-CE3 4.49Å; L1178-W1200 HydrophobicContact CD2-CB 4.37Å; W1200-C1249 HydrophobicContact CE3-CB 4.3Å; W1200-C1249 HydrophobicContact CH2-CB 3.87Å; W1200-C1249 HydrophobicContact CZ3-CB 3.6Å; W1200-N1264 HydrophobicContact CH2-CB 3.69Å; W1200-N1264 HydrophobicContact CZ3-CB 4.11Å; W1200-D1265 VanDerWaalsContact CH2-O 3.25Å; W1200-D1265 WeakPolarHBondContact CH2-O 3.41Å; W1200-D1265 WeakPolarHBondContact CZ2-O 3.44Å; W1200-E1268 VanDerWaalsContact CE2-O 3.29Å; W1200-E1268 HydrophobicContact CZ2-CB 3.96Å; W1200-E1268 WeakPolarHBondContact CZ2-O 3.44Å; W1200-E1268 PolarHBondContact NE1-O 3.2Å; W1200-K1270 HydrophobicContact CD2-CB 4.34Å; W1200-K1270 HydrophobicContact CD2-CD 3.9Å; W1200-K1270 HydrophobicContact CD2-CG 4.41Å; W1200-K1270 HydrophobicContact CE3-CD 4.08Å; W1200-K1270 HydrophobicContact CG-CB 4.09Å; W1200-K1270 HydrophobicContact CG-CD 4.42Å; W1200-K1270 HydrophobicContact CH2-CD 4.38Å; W1200-K1270 HydrophobicContact CZ2-CD 4.21Å; W1200-K1270 HydrophobicContact CZ2-CG 4.47Å; W1200-K1270 HydrophobicContact CZ3-CD 4.3Å; W1200-S1271 PolarHBondContact N-O 2.99Å; W1200-F1272 HydrophobicContact CB-CB 3.96Å; W1200-I1273 PolarHBondContact O-N 3.28Å |
| 1201 | I | 91.9 | Very high | 71 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 165.5 | 169.3 | 53.7 | 170 | 0 | 0 | 0 | 108.8 | W1153 A1179 V1181 F1199 L1203 W1220 I1250 V1252 W1261 | W1153-I1201 PolarHBondContact NE1-O 3.12Å; A1179-I1201 WeakPolarHBondContact O-CB 3.29Å; V1181-I1201 HydrophobicContact CG2-CG2 4.1Å; F1199-I1201 HydrophobicContact CD2-CG2 4.05Å; F1199-I1201 HydrophobicContact CE2-CG2 3.89Å; I1201-L1203 PolarHBondContact O-N 3.16Å; I1201-W1220 HydrophobicContact CB-CZ3 4.19Å; I1201-W1220 HydrophobicContact CD1-CH2 4.02Å; I1201-W1220 HydrophobicContact CD1-CZ3 4.01Å; I1201-W1220 HydrophobicContact CG1-CZ3 4.3Å; I1201-I1250 HydrophobicContact CD1-CG2 4.29Å; I1201-I1250 VanDerWaalsContact CG1-O 3.27Å; I1201-I1250 WeakPolarHBondContact CG1-O 3.44Å; I1201-V1252 HydrophobicContact CD1-CG2 3.93Å; I1201-V1252 HydrophobicContact CG1-CG2 4.32Å; I1201-V1252 HydrophobicContact CG2-CG2 3.71Å; I1201-W1261 HydrophobicContact CD1-CD2 4.15Å; I1201-W1261 HydrophobicContact CD1-CG 4.5Å; I1201-W1261 HydrophobicContact CD1-CZ2 4.04Å |
| 1202 | G | 89.2 | Confident | 68.9 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 16.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A1179 W1220 S1221 | A1179-G1202 PolarHBondContact O-N 2.88Å; G1202-W1220 CarbonylContact O-C 3.47Å; G1202-W1220 VanDerWaalsContact O-CA 3.28Å; G1202-W1220 WeakPolarHBondContact O-CA 3.26Å; G1202-S1221 PolarHBondContact O-N 2.81Å |
| 1203 | L | 86 | Confident | 66.8 | Low | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.3 | -170.8 | -166.9 | 80.3 | 0 | 0 | 0 | 112.6 | I1201 L1218 W1220 M1226 F1231 I1250 W1261 | I1201-L1203 PolarHBondContact O-N 3.16Å; L1203-L1218 HydrophobicContact CD1-CB 4.23Å; L1203-L1218 HydrophobicContact CD2-CD1 4.48Å; L1203-L1218 HydrophobicContact CD2-CD2 4.44Å; L1203-W1220 HydrophobicContact CB-CD2 4.42Å; L1203-W1220 HydrophobicContact CB-CE3 3.72Å; L1203-W1220 HydrophobicContact CB-CH2 4.27Å; L1203-W1220 HydrophobicContact CB-CZ3 3.64Å; L1203-W1220 HydrophobicContact CD1-CD2 3.78Å; L1203-W1220 HydrophobicContact CD1-CE3 3.96Å; L1203-W1220 HydrophobicContact CD1-CG 4.23Å; L1203-W1220 HydrophobicContact CD1-CH2 4.47Å; L1203-W1220 HydrophobicContact CD1-CZ2 4.32Å; L1203-W1220 HydrophobicContact CD1-CZ3 4.3Å; L1203-W1220 HydrophobicContact CG-CE3 4.48Å; L1203-M1226 HydrophobicContact CD1-CE 3.72Å; L1203-M1226 HydrophobicContact CD1-SD 3.57Å; L1203-M1226 VanDerWaalsContact CD1-SD 3.57Å; L1203-M1226 HydrophobicContact CD2-CE 3.53Å; L1203-M1226 HydrophobicContact CD2-SD 4.39Å; L1203-M1226 HydrophobicContact CG-CE 4.27Å; L1203-F1231 HydrophobicContact CD2-CZ 4.17Å; L1203-I1250 HydrophobicContact CB-CB 4.14Å; L1203-I1250 HydrophobicContact CB-CD1 4.37Å; L1203-I1250 HydrophobicContact CD2-CB 3.93Å; L1203-I1250 HydrophobicContact CD2-CD1 3.92Å; L1203-I1250 HydrophobicContact CD2-CG1 3.88Å; L1203-I1250 HydrophobicContact CD2-CG2 4.11Å; L1203-I1250 HydrophobicContact CG-CB 4.44Å; L1203-I1250 HydrophobicContact CG-CD1 4.03Å; L1203-I1250 HydrophobicContact CG-CG1 4.45Å; L1203-I1250 PolarHBondContact O-N 2.85Å; L1203-W1261 HydrophobicContact CD2-CE3 4.19Å; L1203-W1261 HydrophobicContact CD2-CZ3 3.93Å |
| 1204 | K | 80.9 | Confident | 64.6 | Low | 75 Ų | 75 | 57.1 Ų | 57.1 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.4 | 178.1 | 63.4 | -178.9 | 175.5 | -169.3 | 0 | 112 | W1153 L1218 V1219 | W1153-K1204 HydrophobicContact CH2-CD 3.81Å; W1153-K1204 HydrophobicContact CH2-CG 4.45Å; W1153-K1204 HydrophobicContact CZ2-CB 4.3Å; W1153-K1204 HydrophobicContact CZ2-CD 4.29Å; W1153-K1204 HydrophobicContact CZ2-CG 4.45Å; W1153-K1204 HydrophobicContact CZ3-CD 4.35Å; K1204-L1218 WeakPolarHBondContact O-CA 3.25Å; K1204-V1219 PolarHBondContact N-O 2.89Å; K1204-V1219 PolarHBondContact O-N 2.03Å; K1204-V1219 VanDerWaalsContact O-N 3.11Å |
| 1205 | A | 68.7 | Low | 63 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 152.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1216 N1217 L1218 L1243 N1248 | A1205-V1216 HydrophobicContact CB-CG1 3.87Å; A1205-N1217 CarbonylContact C-O 3.53Å; A1205-N1217 WeakPolarHBondContact CA-O 3.36Å; A1205-L1218 HydrophobicContact CB-CD2 4.05Å; A1205-L1243 HydrophobicContact CB-CD2 3.82Å; A1205-N1248 PolarHBondContact N-O 3.09Å |
| 1206 | F | 60.1 | Low | 61.9 | Low | 76 Ų | 76 | 54.1 Ų | 54.1 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 158.8 | 171.9 | 70.3 | -71.4 | 0 | 0 | 0 | 112.3 | V1216 N1217 V1219 | F1206-V1216 CarbonylContact O-C 3.5Å; F1206-V1216 WeakPolarHBondContact O-CA 3.47Å; F1206-N1217 HydrophobicContact CD1-CB 4.02Å; F1206-N1217 VanDerWaalsContact CD1-O 3.3Å; F1206-N1217 WeakPolarHBondContact CD1-O 3.19Å; F1206-N1217 HydrophobicContact CE1-CB 3.4Å; F1206-N1217 HydrophobicContact CE2-CB 4.12Å; F1206-N1217 HydrophobicContact CZ-CB 3.48Å; F1206-N1217 VanDerWaalsContact CZ-CB 3.48Å; F1206-N1217 PolarHBondContact N-O 2.83Å; F1206-N1217 PolarHBondContact O-N 2.96Å; F1206-V1219 HydrophobicContact CD1-CB 4.33Å; F1206-V1219 HydrophobicContact CE1-CB 3.63Å; F1206-V1219 HydrophobicContact CE1-CG2 3.46Å; F1206-V1219 VanDerWaalsContact CE1-CG2 3.46Å; F1206-V1219 HydrophobicContact CZ-CB 4.42Å; F1206-V1219 HydrophobicContact CZ-CG2 3.84Å |
| 1207 | Y | 48.2 | Very low | 61 | Low | 70 Ų | 70 | 55.8 Ų | 55.8 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 150.1 | 177.7 | -76.5 | -74.6 | 0 | 0 | 0 | 113.7 | S1214 V1216 K1244 P1246 | Y1207-S1214 WeakPolarHBondContact CD1-O 3.4Å; Y1207-V1216 HydrophobicContact CD1-CG2 4.03Å; Y1207-V1216 HydrophobicContact CE1-CG2 3.81Å; Y1207-K1244 WeakPolarHBondContact OH-CA 3.32Å; Y1207-K1244 PolarHBondContact OH-O 3.41Å; Y1207-P1246 HydrophobicContact CD2-CB 4.35Å; Y1207-P1246 HydrophobicContact CE2-CB 4.39Å; Y1207-P1246 HydrophobicContact CE2-CG 4.25Å |
| 1208 | S | 39.2 | Very low | 60.6 | Low | 67 Ų | 67 | 53.3 Ų | 53.3 | 47% | 0.469 | 30% | 0.304 | S | S | . | . | trans | -122.8 | 73.2 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 112 | S1215 N1217 | S1208-S1215 PolarHBondContact N-O 3.21Å; S1208-N1217 WeakPolarHBondContact CB-ND2 3.44Å | ||
| 1209 | G | 37.8 | Very low | 60 | Low | 51 Ų | 51 | 55 Ų | 55 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 167.4 | 175 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1214 | G1209-S1214 VanDerWaalsContact CA-OG 3.31Å; G1209-S1214 WeakPolarHBondContact CA-OG 3.28Å; G1209-S1214 PolarHBondContact N-OG 2.88Å |
| 1210 | I | 41.1 | Very low | 59.7 | Low | 176 Ų | 176 | 55 Ų | 55 | 90% | 0.903 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -88.5 | -3.2 | -170.3 | -60.9 | 171.7 | 0 | 0 | 0 | 112.7 | ||
| 1211 | K | 33.3 | Very low | 59.2 | Low | 149 Ų | 149 | 56 Ų | 56 | 65% | 0.648 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -137.7 | 148.4 | -179.7 | -69.2 | 178.3 | -179.2 | 170.9 | 0 | 110.4 | T1213 S1214 | K1211-T1213 PolarHBondContact O-N 2.98Å; K1211-S1214 PolarHBondContact O-N 2.89Å; K1211-S1214 PolarHBondContact O-OG 3.23Å |
| 1212 | P | 36.9 | Very low | 58.5 | Low | 106 Ų | 106 | 58.5 Ų | 58.5 | 69% | 0.688 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 26.1 | 177.8 | 31.1 | -37.3 | 0 | 0 | 0 | 114.5 | ||
| 1213 | T | 35.2 | Very low | 57.6 | Low | 126 Ų | 126 | 61.4 Ų | 61.4 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 0.4 | 170.7 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | K1211 | K1211-T1213 PolarHBondContact O-N 2.98Š|
| 1214 | S | 37.4 | Very low | 56.8 | Low | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -80.9 | 164 | 172.6 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | Y1207 G1209 K1211 | Y1207-S1214 WeakPolarHBondContact CD1-O 3.4Å; G1209-S1214 VanDerWaalsContact CA-OG 3.31Å; G1209-S1214 WeakPolarHBondContact CA-OG 3.28Å; G1209-S1214 PolarHBondContact N-OG 2.88Å; K1211-S1214 PolarHBondContact O-N 2.89Å; K1211-S1214 PolarHBondContact O-OG 3.23Å |
| 1215 | S | 45.7 | Very low | 55.7 | Low | 71 Ų | 71 | 64.6 Ų | 64.6 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 151.2 | -177.7 | 50.7 | 0 | 0 | 0 | 0 | 114 | S1208 | S1208-S1215 PolarHBondContact N-O 3.21Š|
| 1216 | V | 52.1 | Low | 55.3 | Low | 34 Ų | 34 | 66.6 Ų | 66.6 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.7 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | A1205 F1206 Y1207 L1243 | A1205-V1216 HydrophobicContact CB-CG1 3.87Å; F1206-V1216 CarbonylContact O-C 3.5Å; F1206-V1216 WeakPolarHBondContact O-CA 3.47Å; Y1207-V1216 HydrophobicContact CD1-CG2 4.03Å; Y1207-V1216 HydrophobicContact CE1-CG2 3.81Å; V1216-L1243 HydrophobicContact CG1-CB 4.21Å; V1216-L1243 WeakPolarHBondContact CG1-O 3.29Å |
| 1217 | N | 58.2 | Low | 55.2 | Low | 43 Ų | 43 | 67.4 Ų | 67.4 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 152 | 177 | -68.7 | -7.2 | 0 | 0 | 0 | 110.5 | A1205 F1206 S1208 | A1205-N1217 CarbonylContact C-O 3.53Å; A1205-N1217 WeakPolarHBondContact CA-O 3.36Å; F1206-N1217 HydrophobicContact CD1-CB 4.02Å; F1206-N1217 VanDerWaalsContact CD1-O 3.3Å; F1206-N1217 WeakPolarHBondContact CD1-O 3.19Å; F1206-N1217 HydrophobicContact CE1-CB 3.4Å; F1206-N1217 HydrophobicContact CE2-CB 4.12Å; F1206-N1217 HydrophobicContact CZ-CB 3.48Å; F1206-N1217 VanDerWaalsContact CZ-CB 3.48Å; F1206-N1217 PolarHBondContact N-O 2.83Å; F1206-N1217 PolarHBondContact O-N 2.96Å; S1208-N1217 WeakPolarHBondContact CB-ND2 3.44Å |
| 1218 | L | 65.8 | Low | 55.7 | Low | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.7 | 170.8 | -68.3 | 170.7 | 0 | 0 | 0 | 109.8 | L1203 K1204 A1205 M1226 F1231 L1243 I1250 | L1203-L1218 HydrophobicContact CD1-CB 4.23Å; L1203-L1218 HydrophobicContact CD2-CD1 4.48Å; L1203-L1218 HydrophobicContact CD2-CD2 4.44Å; K1204-L1218 WeakPolarHBondContact O-CA 3.25Å; A1205-L1218 HydrophobicContact CB-CD2 4.05Å; L1218-M1226 HydrophobicContact CB-CE 4.2Å; L1218-M1226 HydrophobicContact CD1-CE 3.94Å; L1218-F1231 HydrophobicContact CD1-CE2 3.93Å; L1218-F1231 HydrophobicContact CD1-CZ 3.94Å; L1218-L1243 HydrophobicContact CD2-CD2 4.05Å; L1218-I1250 HydrophobicContact CD2-CD1 3.86Å |
| 1219 | V | 70.2 | Confident | 57.1 | Low | 54 Ų | 54 | 64.6 Ų | 64.6 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.3 | -179.3 | 149.6 | 0 | 0 | 0 | 0 | 111.5 | K1204 F1206 | K1204-V1219 PolarHBondContact N-O 2.89Å; K1204-V1219 PolarHBondContact O-N 2.03Å; K1204-V1219 VanDerWaalsContact O-N 3.11Å; F1206-V1219 HydrophobicContact CD1-CB 4.33Å; F1206-V1219 HydrophobicContact CE1-CB 3.63Å; F1206-V1219 HydrophobicContact CE1-CG2 3.46Å; F1206-V1219 VanDerWaalsContact CE1-CG2 3.46Å; F1206-V1219 HydrophobicContact CZ-CB 4.42Å; F1206-V1219 HydrophobicContact CZ-CG2 3.84Å |
| 1220 | W | 83.2 | Confident | 58.6 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 147.2 | 171.1 | -62.3 | 114 | 0 | 0 | 0 | 112.2 | V1181 H1182 I1201 G1202 L1203 D1222 G1223 S1224 V1225 M1226 W1261 | V1181-W1220 HydrophobicContact CB-CH2 3.83Å; V1181-W1220 HydrophobicContact CB-CZ2 4.28Å; V1181-W1220 HydrophobicContact CG2-CH2 4.11Å; V1181-W1220 VanDerWaalsContact N-CH2 3.3Å; V1181-W1220 VanDerWaalsContact O-CZ2 3.29Å; V1181-W1220 WeakPolarHBondContact O-CZ2 3.32Å; H1182-W1220 AromaticContact CE1-CD1 3.99Å; H1182-W1220 AromaticContact CE1-NE1 3.74Å; I1201-W1220 HydrophobicContact CB-CZ3 4.19Å; I1201-W1220 HydrophobicContact CD1-CH2 4.02Å; I1201-W1220 HydrophobicContact CD1-CZ3 4.01Å; I1201-W1220 HydrophobicContact CG1-CZ3 4.3Å; G1202-W1220 CarbonylContact O-C 3.47Å; G1202-W1220 VanDerWaalsContact O-CA 3.28Å; G1202-W1220 WeakPolarHBondContact O-CA 3.26Å; L1203-W1220 HydrophobicContact CB-CD2 4.42Å; L1203-W1220 HydrophobicContact CB-CE3 3.72Å; L1203-W1220 HydrophobicContact CB-CH2 4.27Å; L1203-W1220 HydrophobicContact CB-CZ3 3.64Å; L1203-W1220 HydrophobicContact CD1-CD2 3.78Å; L1203-W1220 HydrophobicContact CD1-CE3 3.96Å; L1203-W1220 HydrophobicContact CD1-CG 4.23Å; L1203-W1220 HydrophobicContact CD1-CH2 4.47Å; L1203-W1220 HydrophobicContact CD1-CZ2 4.32Å; L1203-W1220 HydrophobicContact CD1-CZ3 4.3Å; L1203-W1220 HydrophobicContact CG-CE3 4.48Å; W1220-D1222 VanDerWaalsContact C-N 3.3Å; W1220-D1222 VanDerWaalsContact CB-OD1 3.25Å; W1220-D1222 WeakPolarHBondContact CB-OD1 3.21Å; W1220-D1222 PolarHBondContact O-N 2.91Å; W1220-G1223 PolarHBondContact O-N 2.85Å; W1220-G1223 VanDerWaalsContact O-N 3.1Å; W1220-S1224 WeakPolarHBondContact CB-OG 3.33Å; W1220-V1225 PolarHBondContact NE1-O 2.7Å; W1220-M1226 HydrophobicContact CZ2-SD 4.02Å; W1220-W1261 AromaticContact CH2-CH2 3.68Å; W1220-W1261 HydrophobicContact CH2-CH2 3.68Å; W1220-W1261 HydrophobicContact CH2-CZ2 4.01Å; W1220-W1261 HydrophobicContact CH2-CZ3 4.47Å; W1220-W1261 AromaticContact CZ2-CH2 3.77Å; W1220-W1261 HydrophobicContact CZ2-CH2 3.77Å; W1220-W1261 HydrophobicContact CZ2-CZ2 4.43Å |
| 1221 | S | 81.7 | Confident | 59.9 | Low | 22 Ų | 22 | 58.7 Ų | 58.7 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.2 | -177.6 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | E1157 H1177 G1202 G1223 | E1157-S1221 WeakPolarHBondContact OE2-CB 3.24Å; E1157-S1221 PolarHBondContact OE2-OG 2.59Å; H1177-S1221 PolarHBondContact ND1-O 2.9Å; G1202-S1221 PolarHBondContact O-N 2.81Å; S1221-G1223 VanDerWaalsContact C-N 3.27Å |
| 1222 | D | 78.3 | Confident | 60.8 | Low | 51 Ų | 51 | 53.5 Ų | 53.5 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.8 | 170.9 | 74 | -18.8 | 0 | 0 | 0 | 113.8 | H1177 S1180 W1220 S1224 Q1275 | H1177-D1222 HydrophobicContact CB-CB 3.83Å; H1177-D1222 VanDerWaalsContact CD2-CB 3.48Å; H1177-D1222 WeakPolarHBondContact CD2-CB 3.36Å; S1180-D1222 PolarHBondContact OG-OD2 3.4Å; W1220-D1222 VanDerWaalsContact C-N 3.3Å; W1220-D1222 VanDerWaalsContact CB-OD1 3.25Å; W1220-D1222 WeakPolarHBondContact CB-OD1 3.21Å; W1220-D1222 PolarHBondContact O-N 2.91Å; D1222-S1224 VanDerWaalsContact C-N 3.29Å; D1222-S1224 PolarHBondContact O-N 3.09Å; D1222-S1224 WeakPolarHBondContact OD1-CB 3Å; D1222-S1224 PolarHBondContact OD1-N 3.45Å; D1222-S1224 PolarHBondContact OD1-OG 3.11Å; D1222-S1224 PolarHBondContact OD2-OG 3.01Å; D1222-Q1275 PolarHBondContact OD2-NE2 3.05Å |
| 1223 | G | 69.1 | Low | 61.3 | Low | 62 Ų | 62 | 52 Ų | 52 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | trans | 75.8 | 10.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1220 S1221 | W1220-G1223 PolarHBondContact O-N 2.85Å; W1220-G1223 VanDerWaalsContact O-N 3.1Å; S1221-G1223 VanDerWaalsContact C-N 3.27Å | ||
| 1224 | S | 70.1 | Confident | 61.5 | Low | 31 Ų | 31 | 50.9 Ų | 50.9 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | trans | -66.9 | 162.5 | 172.6 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | H1182 W1220 D1222 | H1182-S1224 PolarHBondContact CE1-OG 3.49Å; H1182-S1224 VanDerWaalsContact CE1-OG 3.23Å; H1182-S1224 PolarHBondContact NE2-OG 2.83Å; W1220-S1224 WeakPolarHBondContact CB-OG 3.33Å; D1222-S1224 VanDerWaalsContact C-N 3.29Å; D1222-S1224 PolarHBondContact O-N 3.09Å; D1222-S1224 WeakPolarHBondContact OD1-CB 3Å; D1222-S1224 PolarHBondContact OD1-N 3.45Å; D1222-S1224 PolarHBondContact OD1-OG 3.11Å; D1222-S1224 PolarHBondContact OD2-OG 3.01Å | ||
| 1225 | V | 57.5 | Low | 61.8 | Low | 110 Ų | 110 | 51 Ų | 51 | 67% | 0.667 | 31% | 0.309 | S | S | * | . | trans | -81.3 | 148.6 | 179.6 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | H1182 W1220 D1227 | H1182-V1225 PolarHBondContact CE1-O 3.46Å; H1182-V1225 VanDerWaalsContact CE1-O 3.24Å; H1182-V1225 PolarHBondContact ND1-O 2.77Å; W1220-V1225 PolarHBondContact NE1-O 2.7Å; V1225-D1227 PolarHBondContact O-N 2.86Å | ||
| 1226 | M | 60.3 | Low | 61.4 | Low | 48 Ų | 48 | 48.7 Ų | 48.7 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | trans | -87.6 | 99.5 | -179.8 | -176.3 | 63.6 | 159 | 0 | 0 | 111 | L1203 L1218 W1220 W1261 | L1203-M1226 HydrophobicContact CD1-CE 3.72Å; L1203-M1226 HydrophobicContact CD1-SD 3.57Å; L1203-M1226 VanDerWaalsContact CD1-SD 3.57Å; L1203-M1226 HydrophobicContact CD2-CE 3.53Å; L1203-M1226 HydrophobicContact CD2-SD 4.39Å; L1203-M1226 HydrophobicContact CG-CE 4.27Å; L1218-M1226 HydrophobicContact CB-CE 4.2Å; L1218-M1226 HydrophobicContact CD1-CE 3.94Å; W1220-M1226 HydrophobicContact CZ2-SD 4.02Å; M1226-W1261 HydrophobicContact CE-CH2 4.44Å; M1226-W1261 HydrophobicContact CE-CZ3 3.7Å; M1226-W1261 HydrophobicContact SD-CZ3 4.48Å | ||
| 1227 | D | 58.4 | Low | 60.8 | Low | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | trans | -124.2 | 2.7 | -173 | 61.4 | -13.9 | 0 | 0 | 0 | 114.9 | H1182 V1225 | H1182-D1227 IonicContact CE1-OD1 2.64Å; H1182-D1227 IonicContact CG-OD1 2.71Å; H1182-D1227 IonicContact ND1-OD1 3.22Å; H1182-D1227 PolarHBondContact ND1-OD1 2.79Å; H1182-D1227 IonicContact ND1-OD2 2.76Å; V1225-D1227 PolarHBondContact O-N 2.86Å | ||
| 1228 | F | 59.2 | Low | 60.3 | Low | 40 Ų | 40 | 48.3 Ų | 48.3 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | -144.8 | 145 | 179.5 | 174.6 | -110.1 | 0 | 0 | 0 | 110.3 | V1181 L1187 V1230 W1261 | V1181-F1228 HydrophobicContact CB-CD1 4.42Å; V1181-F1228 HydrophobicContact CG1-CD1 3.83Å; V1181-F1228 HydrophobicContact CG1-CE1 3.75Å; V1181-F1228 WeakPolarHBondContact O-CD1 3.28Å; L1187-F1228 HydrophobicContact CB-CE1 3.99Å; L1187-F1228 HydrophobicContact CB-CZ 4.22Å; L1187-F1228 HydrophobicContact CD2-CE1 3.87Å; L1187-F1228 HydrophobicContact CD2-CZ 3.9Å; L1187-F1228 HydrophobicContact CG-CE1 4.47Å; F1228-V1230 HydrophobicContact CD1-CG2 4.43Å; F1228-V1230 HydrophobicContact CE1-CG2 3.59Å; F1228-V1230 HydrophobicContact CE2-CG2 4.05Å; F1228-V1230 HydrophobicContact CZ-CG2 3.36Å; F1228-W1261 AromaticContact CD1-CH2 3.95Å; F1228-W1261 HydrophobicContact CD1-CH2 3.95Å; F1228-W1261 AromaticContact CD1-CZ2 3.63Å; F1228-W1261 HydrophobicContact CD1-CZ2 3.63Å; F1228-W1261 AromaticContact CE1-CZ2 3.81Å; F1228-W1261 HydrophobicContact CE1-CZ2 3.81Å; F1228-W1261 WeakPolarHBondContact O-CH2 3.2Å; F1228-W1261 VanDerWaalsContact O-CZ3 3.31Å; F1228-W1261 WeakPolarHBondContact O-CZ3 3Å | ||
| 1229 | S | 68.4 | Low | 59.4 | Low | 38 Ų | 38 | 48.8 Ų | 48.8 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | trans | -155.3 | 148.9 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 113.9 | Q1049 W1261 | Q1049-S1229 PolarHBondContact O-OG 2.95Å; S1229-W1261 VanDerWaalsContact CA-CZ3 3.48Å | ||
| 1230 | V | 69.4 | Low | 58.2 | Low | 45 Ų | 45 | 50.1 Ų | 50.1 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -145.2 | 37.2 | -173.9 | -154.3 | 0 | 0 | 0 | 0 | 113.8 | L1187 F1228 W1261 | L1187-V1230 HydrophobicContact CD2-CG2 3.82Å; F1228-V1230 HydrophobicContact CD1-CG2 4.43Å; F1228-V1230 HydrophobicContact CE1-CG2 3.59Å; F1228-V1230 HydrophobicContact CE2-CG2 4.05Å; F1228-V1230 HydrophobicContact CZ-CG2 3.36Å; V1230-W1261 HydrophobicContact CB-CD2 4.25Å; V1230-W1261 HydrophobicContact CB-CG 3.98Å; V1230-W1261 HydrophobicContact CG2-CD2 4.35Å; V1230-W1261 HydrophobicContact CG2-CG 4.47Å; V1230-W1261 HydrophobicContact CG2-CZ2 4.48Å; V1230-W1261 PolarHBondContact O-N 2.86Å | ||
| 1231 | F | 67 | Low | 56.6 | Low | 58 Ų | 58 | 53.8 Ų | 53.8 | 25% | 0.254 | 33% | 0.325 | S | S | . | . | trans | -67.1 | 147.1 | -179 | -65.7 | -78.4 | 0 | 0 | 0 | 113.2 | L1203 L1218 I1250 W1261 I1263 | L1203-F1231 HydrophobicContact CD2-CZ 4.17Å; L1218-F1231 HydrophobicContact CD1-CE2 3.93Å; L1218-F1231 HydrophobicContact CD1-CZ 3.94Å; F1231-I1250 HydrophobicContact CE1-CB 4.48Å; F1231-I1250 HydrophobicContact CE1-CG1 3.74Å; F1231-I1250 HydrophobicContact CE1-CG2 3.82Å; F1231-I1250 HydrophobicContact CZ-CG1 3.94Å; F1231-I1250 HydrophobicContact CZ-CG2 4.22Å; F1231-W1261 HydrophobicContact CD1-CB 3.95Å; F1231-W1261 VanDerWaalsContact CD1-O 3.28Å; F1231-W1261 WeakPolarHBondContact CD1-O 3.24Å; F1231-W1261 HydrophobicContact CD2-CE3 4.46Å; F1231-W1261 HydrophobicContact CE1-CB 4.16Å; F1231-W1261 HydrophobicContact CE2-CE3 4.01Å; F1231-W1261 HydrophobicContact CG-CB 4.34Å; F1231-W1261 HydrophobicContact CZ-CE3 4.07Å; F1231-I1263 HydrophobicContact CD1-CD1 4.37Å; F1231-I1263 HydrophobicContact CD1-CG1 4Å; F1231-I1263 HydrophobicContact CE1-CD1 4.23Å; F1231-I1263 HydrophobicContact CE1-CG1 3.79Å | ||
| 1232 | P | 53.9 | Low | 55.1 | Low | 41 Ų | 41 | 57 Ų | 57 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | trans | -69.5 | 144.6 | 177.2 | 30 | -36.6 | 0 | 0 | 0 | 111.9 | I1234 W1261 | P1232-I1234 PolarHBondContact O-N 2.87Å; P1232-W1261 WeakPolarHBondContact CD-O 3.39Å | ||
| 1233 | S | 46.8 | Very low | 53.6 | Low | 73 Ų | 73 | 55.6 Ų | 55.6 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | trans | -77.7 | 48.4 | -175.6 | 61 | 0 | 0 | 0 | 0 | 114.1 | S1038 | S1038-S1233 WeakPolarHBondContact CB-O 3.35Å; S1038-S1233 PolarHBondContact OG-O 2.99Å | ||
| 1234 | I | 38.9 | Very low | 52.5 | Low | 104 Ų | 104 | 57 Ų | 57 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -91.1 | 163.6 | 172.1 | -63.7 | -179.4 | 0 | 0 | 0 | 109.4 | P1232 T1236 | P1232-I1234 PolarHBondContact O-N 2.87Å; I1234-T1236 PolarHBondContact O-N 2.76Å |
| 1235 | D | 42.9 | Very low | 51.7 | Low | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -47.2 | 118.8 | -165.4 | -166.2 | 70.2 | 0 | 0 | 0 | 113.8 | S1038 S1039 S1237 A1238 T1239 | S1038-D1235 VanDerWaalsContact CB-N 3.32Å; S1039-D1235 WeakPolarHBondContact CA-OD1 3.43Å; S1039-D1235 WeakPolarHBondContact CB-OD1 3.42Å; S1039-D1235 PolarHBondContact N-OD1 3.17Å; S1039-D1235 PolarHBondContact OG-OD1 2.82Å; D1235-S1237 PolarHBondContact O-N 2.03Å; D1235-S1237 VanDerWaalsContact OD2-CB 3.29Å; D1235-S1237 WeakPolarHBondContact OD2-CB 3.35Å; D1235-S1237 PolarHBondContact OD2-N 2.6Å; D1235-S1237 PolarHBondContact OD2-OG 3.18Å; D1235-A1238 HydrophobicContact CB-CB 4.16Å; D1235-A1238 WeakPolarHBondContact O-CA 3.25Å; D1235-A1238 WeakPolarHBondContact O-CB 3.31Å; D1235-A1238 PolarHBondContact O-N 3.22Å; D1235-A1238 PolarHBondContact OD2-N 3.24Å; D1235-T1239 PolarHBondContact O-N 2.87Å; D1235-T1239 PolarHBondContact O-OG1 2.92Å | ||
| 1236 | T | 39 | Very low | 51.3 | Low | 22 Ų | 22 | 59.4 Ų | 59.4 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -29.1 | -174.7 | 41.5 | 0 | 0 | 0 | 0 | 113.3 | S1039 L1040 F1062 I1234 L1240 | S1039-T1236 PolarHBondContact O-N 2.85Å; S1039-T1236 PolarHBondContact O-OG1 2.84Å; L1040-T1236 HydrophobicContact CD1-CG2 3.51Å; F1062-T1236 WeakPolarHBondContact CE1-OG1 3.32Å; F1062-T1236 WeakPolarHBondContact CZ-OG1 3Å; I1234-T1236 PolarHBondContact O-N 2.76Å; T1236-L1240 WeakPolarHBondContact O-CB 3.33Å; T1236-L1240 VanDerWaalsContact O-CG 3.3Å; T1236-L1240 WeakPolarHBondContact O-CG 3.29Å; T1236-L1240 PolarHBondContact O-N 2.85Å |
| 1237 | S | 39.6 | Very low | 51.1 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 25% | 0.245 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 170.5 | 3 | 0 | 0 | 0 | 0 | 112.4 | D1235 N1241 | D1235-S1237 PolarHBondContact O-N 2.03Å; D1235-S1237 VanDerWaalsContact OD2-CB 3.29Å; D1235-S1237 WeakPolarHBondContact OD2-CB 3.35Å; D1235-S1237 PolarHBondContact OD2-N 2.6Å; D1235-S1237 PolarHBondContact OD2-OG 3.18Å; S1237-N1241 VanDerWaalsContact O-CB 3.23Å; S1237-N1241 WeakPolarHBondContact O-CB 3.31Å; S1237-N1241 PolarHBondContact O-N 3.4Å; S1237-N1241 VanDerWaalsContact O-N 3.09Å; S1237-N1241 PolarHBondContact O-ND2 2.93Å |
| 1238 | A | 47.4 | Very low | 51.8 | Low | 34 Ų | 34 | 59.2 Ų | 59.2 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -54.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1235 L1240 N1241 E1242 | D1235-A1238 HydrophobicContact CB-CB 4.16Å; D1235-A1238 WeakPolarHBondContact O-CA 3.25Å; D1235-A1238 WeakPolarHBondContact O-CB 3.31Å; D1235-A1238 PolarHBondContact O-N 3.22Å; D1235-A1238 PolarHBondContact OD2-N 3.24Å; A1238-L1240 VanDerWaalsContact C-N 3.3Å; A1238-L1240 PolarHBondContact O-N 2.98Å; A1238-N1241 CarbonylContact O-C 3.13Å; A1238-N1241 WeakPolarHBondContact O-CA 3.44Å; A1238-N1241 PolarHBondContact O-N 2.99Å; A1238-E1242 WeakPolarHBondContact O-CG 3.21Å; A1238-E1242 PolarHBondContact O-N 3.29Å |
| 1239 | T | 46.3 | Very low | 53 | Low | 28 Ų | 28 | 57.3 Ų | 57.3 | 17% | 0.172 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.2 | -39.8 | -179.4 | -44.9 | 0 | 0 | 0 | 0 | 112.5 | D1235 L1243 I1263 | D1235-T1239 PolarHBondContact O-N 2.87Å; D1235-T1239 PolarHBondContact O-OG1 2.92Å; T1239-L1243 HydrophobicContact CG2-CD1 4.47Å; T1239-L1243 WeakPolarHBondContact O-CB 3.31Å; T1239-L1243 VanDerWaalsContact O-CG 3.25Å; T1239-L1243 WeakPolarHBondContact O-CG 3.35Å; T1239-L1243 PolarHBondContact O-N 2.84Å; T1239-I1263 HydrophobicContact CG2-CD1 3.57Å |
| 1240 | L | 45.3 | Very low | 53.8 | Low | 82 Ų | 82 | 55.6 Ų | 55.6 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.2 | -31.7 | 175 | -73.9 | 166.3 | 0 | 0 | 0 | 112.9 | T1236 A1238 K1244 | T1236-L1240 WeakPolarHBondContact O-CB 3.33Å; T1236-L1240 VanDerWaalsContact O-CG 3.3Å; T1236-L1240 WeakPolarHBondContact O-CG 3.29Å; T1236-L1240 PolarHBondContact O-N 2.85Å; A1238-L1240 VanDerWaalsContact C-N 3.3Å; A1238-L1240 PolarHBondContact O-N 2.98Å; L1240-K1244 WeakPolarHBondContact O-CG 3.47Å; L1240-K1244 PolarHBondContact O-N 3.2Å |
| 1241 | N | 48.4 | Very low | 54.6 | Low | 79 Ų | 79 | 53.4 Ų | 53.4 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75 | -29.1 | 173.2 | -73.5 | -28.8 | 0 | 0 | 0 | 112.3 | S1237 A1238 K1244 H1245 | S1237-N1241 VanDerWaalsContact O-CB 3.23Å; S1237-N1241 WeakPolarHBondContact O-CB 3.31Å; S1237-N1241 PolarHBondContact O-N 3.4Å; S1237-N1241 VanDerWaalsContact O-N 3.09Å; S1237-N1241 PolarHBondContact O-ND2 2.93Å; A1238-N1241 CarbonylContact O-C 3.13Å; A1238-N1241 WeakPolarHBondContact O-CA 3.44Å; A1238-N1241 PolarHBondContact O-N 2.99Å; N1241-K1244 WeakPolarHBondContact O-CB 3.37Å; N1241-K1244 PolarHBondContact O-N 3.5Å; N1241-K1244 WeakPolarHBondContact OD1-CE 3.2Å; N1241-K1244 PolarHBondContact OD1-NZ 3.13Å; N1241-H1245 PolarHBondContact O-CE1 2.84Å; N1241-H1245 VanDerWaalsContact O-CE1 3.3Å; N1241-H1245 PolarHBondContact O-ND1 3.32Å |
| 1242 | E | 51.1 | Low | 55.5 | Low | 91 Ų | 91 | 50.7 Ų | 50.7 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 168.6 | -72.6 | 161.7 | -174.7 | 0 | 0 | 110 | A1238 K1244 H1245 N1248 | A1238-E1242 WeakPolarHBondContact O-CG 3.21Å; A1238-E1242 PolarHBondContact O-N 3.29Å; E1242-K1244 VanDerWaalsContact C-N 3.26Å; E1242-K1244 PolarHBondContact O-N 2.87Å; E1242-H1245 WeakPolarHBondContact O-CB 3.48Å; E1242-H1245 PolarHBondContact O-N 2.97Å; E1242-N1248 PolarHBondContact O-ND2 3.14Å |
| 1243 | L | 47.2 | Very low | 56.7 | Low | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -23.3 | 173.6 | -72.9 | 169.3 | 0 | 0 | 0 | 114 | A1205 V1216 L1218 T1239 H1245 I1263 | A1205-L1243 HydrophobicContact CB-CD2 3.82Å; V1216-L1243 HydrophobicContact CG1-CB 4.21Å; V1216-L1243 WeakPolarHBondContact CG1-O 3.29Å; L1218-L1243 HydrophobicContact CD2-CD2 4.05Å; T1239-L1243 HydrophobicContact CG2-CD1 4.47Å; T1239-L1243 WeakPolarHBondContact O-CB 3.31Å; T1239-L1243 VanDerWaalsContact O-CG 3.25Å; T1239-L1243 WeakPolarHBondContact O-CG 3.35Å; T1239-L1243 PolarHBondContact O-N 2.84Å; L1243-H1245 PolarHBondContact O-N 2.89Å; L1243-I1263 HydrophobicContact CD1-CD1 4.26Å; L1243-I1263 HydrophobicContact CD2-CD1 3.9Å; L1243-I1263 HydrophobicContact CG-CD1 3.82Å |
| 1244 | K | 46.5 | Very low | 57.8 | Low | 90 Ų | 90 | 48 Ų | 48 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.5 | 169.3 | -77.2 | 171.8 | -165.3 | 166.9 | 0 | 113.6 | Y1207 L1240 N1241 E1242 P1246 | Y1207-K1244 WeakPolarHBondContact OH-CA 3.32Å; Y1207-K1244 PolarHBondContact OH-O 3.41Å; L1240-K1244 WeakPolarHBondContact O-CG 3.47Å; L1240-K1244 PolarHBondContact O-N 3.2Å; N1241-K1244 WeakPolarHBondContact O-CB 3.37Å; N1241-K1244 PolarHBondContact O-N 3.5Å; N1241-K1244 WeakPolarHBondContact OD1-CE 3.2Å; N1241-K1244 PolarHBondContact OD1-NZ 3.13Å; E1242-K1244 VanDerWaalsContact C-N 3.26Å; E1242-K1244 PolarHBondContact O-N 2.87Å; K1244-P1246 WeakPolarHBondContact O-CD 3.29Å |
| 1245 | H | 51.9 | Low | 58.6 | Low | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -91.9 | 108.5 | 170.5 | -60.3 | 78.3 | 0 | 0 | 0 | 108.4 | N1241 E1242 L1243 E1247 N1248 | N1241-H1245 PolarHBondContact O-CE1 2.84Å; N1241-H1245 VanDerWaalsContact O-CE1 3.3Å; N1241-H1245 PolarHBondContact O-ND1 3.32Å; E1242-H1245 WeakPolarHBondContact O-CB 3.48Å; E1242-H1245 PolarHBondContact O-N 2.97Å; L1243-H1245 PolarHBondContact O-N 2.89Å; H1245-E1247 PolarHBondContact O-N 3.37Å; H1245-N1248 PolarHBondContact O-N 3.33Å |
| 1246 | P | 49.2 | Very low | 59.1 | Low | 76 Ų | 76 | 54.1 Ų | 54.1 | 49% | 0.494 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 15.6 | -174.7 | 33.5 | -37.6 | 0 | 0 | 0 | 113.8 | Y1207 K1244 | Y1207-P1246 HydrophobicContact CD2-CB 4.35Å; Y1207-P1246 HydrophobicContact CE2-CB 4.39Å; Y1207-P1246 HydrophobicContact CE2-CG 4.25Å; K1244-P1246 WeakPolarHBondContact O-CD 3.29Å |
| 1247 | E | 57.1 | Low | 59.6 | Low | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 7.9 | 177.8 | -60.3 | -170.9 | -166.8 | 0 | 0 | 112.6 | H1245 C1266 K1778 | H1245-E1247 PolarHBondContact O-N 3.37Å; E1247-C1266 VanDerWaalsContact C-SG 3.54Å; E1247-C1266 WeakPolarHBondContact O-CB 3.4Å; E1247-C1266 PolarHBondContact O-N 3.13Å; E1247-C1266 PolarHBondContact O-SG 3.32Å; E1247-K1778 IonicContact OE2-NZ 2.89Å; E1247-K1778 PolarHBondContact OE2-NZ 3.39Å |
| 1248 | N | 72.1 | Confident | 60.3 | Low | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.3 | 179.5 | -76.1 | -27.8 | 0 | 0 | 0 | 112.4 | A1205 E1242 H1245 I1263 N1264 | A1205-N1248 PolarHBondContact N-O 3.09Å; E1242-N1248 PolarHBondContact O-ND2 3.14Å; H1245-N1248 PolarHBondContact O-N 3.33Å; N1248-I1263 HydrophobicContact CB-CG2 3.75Å; N1248-N1264 WeakPolarHBondContact CA-O 3.46Å |
| 1249 | C | 83.7 | Confident | 61.1 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.7 | 177.9 | -73.7 | 0 | 0 | 0 | 0 | 109.8 | W1153 W1200 N1264 C1266 | W1153-C1249 HydrophobicContact CB-CB 3.95Å; W1153-C1249 HydrophobicContact CD2-CB 4.31Å; W1153-C1249 HydrophobicContact CG-CB 3.69Å; W1200-C1249 HydrophobicContact CE3-CB 4.3Å; W1200-C1249 HydrophobicContact CH2-CB 3.87Å; W1200-C1249 HydrophobicContact CZ3-CB 3.6Å; C1249-N1264 PolarHBondContact N-O 3.01Å; C1249-N1264 PolarHBondContact O-N 3.12Å; C1249-C1266 HydrophobicContact CB-CB 3.89Å; C1249-C1266 WeakPolarHBondContact CB-SG 3.47Å; C1249-C1266 PolarHBondContact N-SG 3.38Å; C1249-C1266 WeakPolarHBondContact SG-CB 3.41Å; C1249-C1266 CovalentContact SG-SG 2.03Å; C1249-C1266 PolarHBondContact SG-SG 3Å |
| 1250 | I | 86.5 | Confident | 62.3 | Low | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.2 | -172 | -61.5 | 82.6 | 0 | 0 | 0 | 111.2 | I1201 L1203 L1218 F1231 W1261 D1262 | I1201-I1250 HydrophobicContact CD1-CG2 4.29Å; I1201-I1250 VanDerWaalsContact CG1-O 3.27Å; I1201-I1250 WeakPolarHBondContact CG1-O 3.44Å; L1203-I1250 HydrophobicContact CB-CB 4.14Å; L1203-I1250 HydrophobicContact CB-CD1 4.37Å; L1203-I1250 HydrophobicContact CD2-CB 3.93Å; L1203-I1250 HydrophobicContact CD2-CD1 3.92Å; L1203-I1250 HydrophobicContact CD2-CG1 3.88Å; L1203-I1250 HydrophobicContact CD2-CG2 4.11Å; L1203-I1250 HydrophobicContact CG-CB 4.44Å; L1203-I1250 HydrophobicContact CG-CD1 4.03Å; L1203-I1250 HydrophobicContact CG-CG1 4.45Å; L1203-I1250 PolarHBondContact O-N 2.85Å; L1218-I1250 HydrophobicContact CD2-CD1 3.86Å; F1231-I1250 HydrophobicContact CE1-CB 4.48Å; F1231-I1250 HydrophobicContact CE1-CG1 3.74Å; F1231-I1250 HydrophobicContact CE1-CG2 3.82Å; F1231-I1250 HydrophobicContact CZ-CG1 3.94Å; F1231-I1250 HydrophobicContact CZ-CG2 4.22Å; I1250-W1261 HydrophobicContact CG2-CB 3.86Å; I1250-W1261 HydrophobicContact CG2-CD2 4.42Å; I1250-W1261 HydrophobicContact CG2-CE3 4.36Å; I1250-W1261 HydrophobicContact CG2-CG 4.26Å; I1250-D1262 WeakPolarHBondContact CA-O 3.43Å |
| 1251 | S | 86.8 | Confident | 64 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 160.6 | 177.8 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | F1199 W1261 D1262 N1264 K1270 | F1199-S1251 CarbonylContact O-C 3.47Å; F1199-S1251 WeakPolarHBondContact O-CA 2.93Å; F1199-S1251 WeakPolarHBondContact O-CB 3.46Å; S1251-W1261 CarbonylContact O-C 3.5Å; S1251-W1261 VanDerWaalsContact O-CA 3.24Å; S1251-W1261 WeakPolarHBondContact O-CA 3.07Å; S1251-D1262 PolarHBondContact N-O 2.87Å; S1251-D1262 PolarHBondContact O-N 2.91Å; S1251-N1264 PolarHBondContact OG-OD1 3.1Å; S1251-K1270 VanDerWaalsContact OG-CD 3.31Å; S1251-K1270 WeakPolarHBondContact OG-CD 3.49Å; S1251-K1270 WeakPolarHBondContact OG-CE 3.42Å; S1251-K1270 PolarHBondContact OG-NZ 2.86Å |
| 1252 | V | 85.7 | Confident | 65.2 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.5 | 169.7 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | L1187 S1198 F1199 I1201 Y1259 S1260 | L1187-V1252 HydrophobicContact CD1-CB 4.5Å; L1187-V1252 HydrophobicContact CD1-CG1 3.89Å; L1187-V1252 HydrophobicContact CD1-CG2 3.76Å; S1198-V1252 CarbonylContact C-O 3.59Å; S1198-V1252 VanDerWaalsContact CA-O 3.28Å; S1198-V1252 WeakPolarHBondContact CA-O 3.29Å; F1199-V1252 HydrophobicContact CD1-CB 4.39Å; F1199-V1252 HydrophobicContact CD2-CB 4.2Å; F1199-V1252 HydrophobicContact CD2-CG2 4.29Å; F1199-V1252 HydrophobicContact CE1-CB 4.01Å; F1199-V1252 HydrophobicContact CE1-CG1 4.11Å; F1199-V1252 HydrophobicContact CE2-CB 3.8Å; F1199-V1252 HydrophobicContact CE2-CG1 4.46Å; F1199-V1252 HydrophobicContact CE2-CG2 3.69Å; F1199-V1252 HydrophobicContact CG-CB 4.49Å; F1199-V1252 HydrophobicContact CZ-CB 3.7Å; F1199-V1252 HydrophobicContact CZ-CG1 3.9Å; F1199-V1252 HydrophobicContact CZ-CG2 3.95Å; F1199-V1252 PolarHBondContact N-O 2.78Å; F1199-V1252 PolarHBondContact O-N 3.36Å; I1201-V1252 HydrophobicContact CD1-CG2 3.93Å; I1201-V1252 HydrophobicContact CG1-CG2 4.32Å; I1201-V1252 HydrophobicContact CG2-CG2 3.71Å; V1252-Y1259 HydrophobicContact CG1-CD1 3.94Å; V1252-Y1259 HydrophobicContact CG1-CG 4.47Å; V1252-S1260 WeakPolarHBondContact CA-O 3.48Å |
| 1253 | T | 79 | Confident | 66.4 | Low | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.5 | 179.2 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | S1197 K1255 Y1259 S1260 D1262 | S1197-T1253 CarbonylContact O-C 3.54Å; S1197-T1253 WeakPolarHBondContact O-CA 3.48Å; T1253-K1255 PolarHBondContact O-N 2.85Å; T1253-K1255 WeakPolarHBondContact OG1-CE 3.44Å; T1253-Y1259 CarbonylContact O-C 3.59Å; T1253-Y1259 VanDerWaalsContact O-CA 3.31Å; T1253-Y1259 WeakPolarHBondContact O-CA 3.28Å; T1253-S1260 PolarHBondContact N-O 2.97Å; T1253-S1260 PolarHBondContact O-N 3.36Å; T1253-S1260 PolarHBondContact OG1-O 3Å; T1253-D1262 HydrophobicContact CG2-CB 3.69Å |
| 1254 | D | 68.8 | Low | 67.8 | Low | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 108.4 | 170.8 | -167.7 | -17.5 | 0 | 0 | 0 | 110.6 | S1197 H1257 H1258 Y1259 | S1197-D1254 PolarHBondContact O-N 2.8Å; D1254-H1257 WeakPolarHBondContact OD1-CA 3.45Å; D1254-H1257 PolarHBondContact OD1-N 2.79Å; D1254-H1257 IonicContact OD2-ND1 2.67Å; D1254-H1258 PolarHBondContact OD1-N 3.44Å; D1254-Y1259 HydrophobicContact CB-CD1 4.06Å; D1254-Y1259 HydrophobicContact CB-CD2 4.26Å; D1254-Y1259 HydrophobicContact CB-CE1 3.68Å; D1254-Y1259 HydrophobicContact CB-CE2 3.84Å; D1254-Y1259 HydrophobicContact CB-CG 4.33Å; D1254-Y1259 VanDerWaalsContact CG-CE2 3.43Å; D1254-Y1259 WeakPolarHBondContact OD2-CE2 3.42Å; D1254-Y1259 VanDerWaalsContact OD2-CZ 3.23Å; D1254-Y1259 PolarHBondContact OD2-OH 3.32Å |
| 1255 | K | 56.6 | Low | 69.2 | Low | 83 Ų | 83 | 54.5 Ų | 54.5 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 95.9 | 172 | -65.9 | -179.8 | -175.5 | 171.5 | 0 | 108.1 | T1253 H1258 D1262 | T1253-K1255 PolarHBondContact O-N 2.85Å; T1253-K1255 WeakPolarHBondContact OG1-CE 3.44Å; K1255-H1258 PolarHBondContact N-O 2.55Å; K1255-H1258 PolarHBondContact O-N 3.27Å; K1255-D1262 IonicContact NZ-OD1 3.56Å; K1255-D1262 PolarHBondContact NZ-OD1 2.87Å; K1255-D1262 IonicContact NZ-OD2 3.42Å |
| 1256 | H | 54 | Low | 70.5 | Confident | 183 Ų | 183 | 50.1 Ų | 50.1 | 85% | 0.847 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 47.5 | 178.8 | -55 | -71.8 | 0 | 0 | 0 | 115.6 | H1258 | H1256-H1258 PolarHBondContact O-N 3.23Š|
| 1257 | H | 49.7 | Very low | 71.8 | Confident | 164 Ų | 164 | 49.6 Ų | 49.6 | 76% | 0.759 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 17.1 | -175.8 | -51.5 | -44.5 | 0 | 0 | 0 | 114.5 | D1254 | D1254-H1257 WeakPolarHBondContact OD1-CA 3.45Å; D1254-H1257 PolarHBondContact OD1-N 2.79Å; D1254-H1257 IonicContact OD2-ND1 2.67Å |
| 1258 | H | 53.6 | Low | 72.7 | Confident | 151 Ų | 151 | 45.9 Ų | 45.9 | 70% | 0.699 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.7 | 169.5 | -67.5 | -15.2 | 0 | 0 | 0 | 108.9 | D1254 K1255 H1256 | D1254-H1258 PolarHBondContact OD1-N 3.44Å; K1255-H1258 PolarHBondContact N-O 2.55Å; K1255-H1258 PolarHBondContact O-N 3.27Å; H1256-H1258 PolarHBondContact O-N 3.23Å |
| 1259 | Y | 64.3 | Low | 73 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.6 | -178.3 | -72.8 | -108.4 | 0 | 0 | 0 | 109.3 | I1191 V1252 T1253 D1254 | I1191-Y1259 HydrophobicContact CB-CD1 4.47Å; I1191-Y1259 HydrophobicContact CD1-CD1 3.8Å; I1191-Y1259 HydrophobicContact CD1-CD2 3.98Å; I1191-Y1259 HydrophobicContact CD1-CG 3.44Å; I1191-Y1259 VanDerWaalsContact CD1-CG 3.44Å; I1191-Y1259 HydrophobicContact CG1-CD1 3.61Å; I1191-Y1259 HydrophobicContact CG1-CD2 4.38Å; I1191-Y1259 HydrophobicContact CG1-CE1 4.07Å; I1191-Y1259 HydrophobicContact CG1-CG 3.79Å; I1191-Y1259 HydrophobicContact CG2-CD1 4.06Å; I1191-Y1259 HydrophobicContact CG2-CD2 3.87Å; I1191-Y1259 HydrophobicContact CG2-CE1 3.81Å; I1191-Y1259 HydrophobicContact CG2-CE2 3.66Å; I1191-Y1259 HydrophobicContact CG2-CG 4.1Å; V1252-Y1259 HydrophobicContact CG1-CD1 3.94Å; V1252-Y1259 HydrophobicContact CG1-CG 4.47Å; T1253-Y1259 CarbonylContact O-C 3.59Å; T1253-Y1259 VanDerWaalsContact O-CA 3.31Å; T1253-Y1259 WeakPolarHBondContact O-CA 3.28Å; D1254-Y1259 HydrophobicContact CB-CD1 4.06Å; D1254-Y1259 HydrophobicContact CB-CD2 4.26Å; D1254-Y1259 HydrophobicContact CB-CE1 3.68Å; D1254-Y1259 HydrophobicContact CB-CE2 3.84Å; D1254-Y1259 HydrophobicContact CB-CG 4.33Å; D1254-Y1259 VanDerWaalsContact CG-CE2 3.43Å; D1254-Y1259 WeakPolarHBondContact OD2-CE2 3.42Å; D1254-Y1259 VanDerWaalsContact OD2-CZ 3.23Å; D1254-Y1259 PolarHBondContact OD2-OH 3.32Å |
| 1260 | S | 70.2 | Confident | 73 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.8 | -176.2 | 64.5 | 0 | 0 | 0 | 0 | 111 | V1252 T1253 | V1252-S1260 WeakPolarHBondContact CA-O 3.48Å; T1253-S1260 PolarHBondContact N-O 2.97Å; T1253-S1260 PolarHBondContact O-N 3.36Å; T1253-S1260 PolarHBondContact OG1-O 3Å |
| 1261 | W | 80.8 | Confident | 73 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.6 | 178.1 | -71.8 | 6.9 | 0 | 0 | 0 | 110.7 | V1181 I1201 L1203 W1220 M1226 F1228 S1229 V1230 F1231 P1232 I1250 S1251 | V1181-W1261 HydrophobicContact CB-CZ2 4.12Å; V1181-W1261 HydrophobicContact CG1-CZ2 4.4Å; I1201-W1261 HydrophobicContact CD1-CD2 4.15Å; I1201-W1261 HydrophobicContact CD1-CG 4.5Å; I1201-W1261 HydrophobicContact CD1-CZ2 4.04Å; L1203-W1261 HydrophobicContact CD2-CE3 4.19Å; L1203-W1261 HydrophobicContact CD2-CZ3 3.93Å; W1220-W1261 AromaticContact CH2-CH2 3.68Å; W1220-W1261 HydrophobicContact CH2-CH2 3.68Å; W1220-W1261 HydrophobicContact CH2-CZ2 4.01Å; W1220-W1261 HydrophobicContact CH2-CZ3 4.47Å; W1220-W1261 AromaticContact CZ2-CH2 3.77Å; W1220-W1261 HydrophobicContact CZ2-CH2 3.77Å; W1220-W1261 HydrophobicContact CZ2-CZ2 4.43Å; M1226-W1261 HydrophobicContact CE-CH2 4.44Å; M1226-W1261 HydrophobicContact CE-CZ3 3.7Å; M1226-W1261 HydrophobicContact SD-CZ3 4.48Å; F1228-W1261 AromaticContact CD1-CH2 3.95Å; F1228-W1261 HydrophobicContact CD1-CH2 3.95Å; F1228-W1261 AromaticContact CD1-CZ2 3.63Å; F1228-W1261 HydrophobicContact CD1-CZ2 3.63Å; F1228-W1261 AromaticContact CE1-CZ2 3.81Å; F1228-W1261 HydrophobicContact CE1-CZ2 3.81Å; F1228-W1261 WeakPolarHBondContact O-CH2 3.2Å; F1228-W1261 VanDerWaalsContact O-CZ3 3.31Å; F1228-W1261 WeakPolarHBondContact O-CZ3 3Å; S1229-W1261 VanDerWaalsContact CA-CZ3 3.48Å; V1230-W1261 HydrophobicContact CB-CD2 4.25Å; V1230-W1261 HydrophobicContact CB-CG 3.98Å; V1230-W1261 HydrophobicContact CG2-CD2 4.35Å; V1230-W1261 HydrophobicContact CG2-CG 4.47Å; V1230-W1261 HydrophobicContact CG2-CZ2 4.48Å; V1230-W1261 PolarHBondContact O-N 2.86Å; F1231-W1261 HydrophobicContact CD1-CB 3.95Å; F1231-W1261 VanDerWaalsContact CD1-O 3.28Å; F1231-W1261 WeakPolarHBondContact CD1-O 3.24Å; F1231-W1261 HydrophobicContact CD2-CE3 4.46Å; F1231-W1261 HydrophobicContact CE1-CB 4.16Å; F1231-W1261 HydrophobicContact CE2-CE3 4.01Å; F1231-W1261 HydrophobicContact CG-CB 4.34Å; F1231-W1261 HydrophobicContact CZ-CE3 4.07Å; P1232-W1261 WeakPolarHBondContact CD-O 3.39Å; I1250-W1261 HydrophobicContact CG2-CB 3.86Å; I1250-W1261 HydrophobicContact CG2-CD2 4.42Å; I1250-W1261 HydrophobicContact CG2-CE3 4.36Å; I1250-W1261 HydrophobicContact CG2-CG 4.26Å; S1251-W1261 CarbonylContact O-C 3.5Å; S1251-W1261 VanDerWaalsContact O-CA 3.24Å; S1251-W1261 WeakPolarHBondContact O-CA 3.07Å |
| 1262 | D | 75 | Confident | 73.3 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.1 | -177.8 | -151.2 | 43.9 | 0 | 0 | 0 | 109.7 | I1250 S1251 T1253 K1255 N1264 | I1250-D1262 WeakPolarHBondContact CA-O 3.43Å; S1251-D1262 PolarHBondContact N-O 2.87Å; S1251-D1262 PolarHBondContact O-N 2.91Å; T1253-D1262 HydrophobicContact CG2-CB 3.69Å; K1255-D1262 IonicContact NZ-OD1 3.56Å; K1255-D1262 PolarHBondContact NZ-OD1 2.87Å; K1255-D1262 IonicContact NZ-OD2 3.42Å; D1262-N1264 WeakPolarHBondContact CB-OD1 3.28Å; D1262-N1264 PolarHBondContact O-OD1 2.94Å; D1262-N1264 VanDerWaalsContact O-OD1 3.12Å; D1262-N1264 PolarHBondContact OD2-ND2 3.43Å |
| 1263 | I | 75.2 | Confident | 73.5 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.5 | 170.9 | -57.9 | -177 | 0 | 0 | 0 | 106.7 | F1231 T1239 L1243 N1248 | F1231-I1263 HydrophobicContact CD1-CD1 4.37Å; F1231-I1263 HydrophobicContact CD1-CG1 4Å; F1231-I1263 HydrophobicContact CE1-CD1 4.23Å; F1231-I1263 HydrophobicContact CE1-CG1 3.79Å; T1239-I1263 HydrophobicContact CG2-CD1 3.57Å; L1243-I1263 HydrophobicContact CD1-CD1 4.26Å; L1243-I1263 HydrophobicContact CD2-CD1 3.9Å; L1243-I1263 HydrophobicContact CG-CD1 3.82Å; N1248-I1263 HydrophobicContact CB-CG2 3.75Å |
| 1264 | N | 78 | Confident | 74.1 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.8 | -174.6 | -54 | 105.9 | 0 | 0 | 0 | 109.2 | W1200 N1248 C1249 S1251 D1262 C1266 E1268 K1270 | W1200-N1264 HydrophobicContact CH2-CB 3.69Å; W1200-N1264 HydrophobicContact CZ3-CB 4.11Å; N1248-N1264 WeakPolarHBondContact CA-O 3.46Å; C1249-N1264 PolarHBondContact N-O 3.01Å; C1249-N1264 PolarHBondContact O-N 3.12Å; S1251-N1264 PolarHBondContact OG-OD1 3.1Å; D1262-N1264 WeakPolarHBondContact CB-OD1 3.28Å; D1262-N1264 PolarHBondContact O-OD1 2.94Å; D1262-N1264 VanDerWaalsContact O-OD1 3.12Å; D1262-N1264 PolarHBondContact OD2-ND2 3.43Å; N1264-C1266 PolarHBondContact O-N 2.96Å; N1264-E1268 WeakPolarHBondContact CB-OE2 3.32Å; N1264-E1268 PolarHBondContact ND2-OE2 3.24Å; N1264-E1268 VanDerWaalsContact ND2-OE2 3.15Å; N1264-K1270 PolarHBondContact ND2-NZ 2.89Å; N1264-K1270 WeakPolarHBondContact OD1-CE 3.33Å; N1264-K1270 PolarHBondContact OD1-NZ 3.21Å; N1264-K1270 VanDerWaalsContact OD1-NZ 3.08Å |
| 1265 | D | 75.2 | Confident | 75 | Confident | 31 Ų | 31 | 44 Ų | 44 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 132.5 | 170.4 | -171.1 | -48.4 | 0 | 0 | 0 | 108.7 | W1200 M1267 E1268 K1778 | W1200-D1265 VanDerWaalsContact CH2-O 3.25Å; W1200-D1265 WeakPolarHBondContact CH2-O 3.41Å; W1200-D1265 WeakPolarHBondContact CZ2-O 3.44Å; D1265-M1267 PolarHBondContact O-N 3.22Å; D1265-M1267 WeakPolarHBondContact OD1-CB 3.35Å; D1265-M1267 VanDerWaalsContact OD1-CG 3.25Å; D1265-M1267 WeakPolarHBondContact OD1-CG 3.24Å; D1265-M1267 PolarHBondContact OD1-N 3.38Å; D1265-E1268 PolarHBondContact O-N 2.83Å; D1265-K1778 IonicContact OD1-NZ 3.73Å; D1265-K1778 VanDerWaalsContact OD2-CE 3.31Å; D1265-K1778 WeakPolarHBondContact OD2-CE 3.47Å; D1265-K1778 IonicContact OD2-NZ 3.84Å; D1265-K1778 PolarHBondContact OD2-NZ 2.86Å |
| 1266 | C | 79.3 | Confident | 76.4 | Confident | 24 Ų | 24 | 40 Ų | 40 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -15.5 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | S1152 W1153 E1247 C1249 N1264 | S1152-C1266 WeakPolarHBondContact CB-O 3.38Å; W1153-C1266 HydrophobicContact CB-CB 4.25Å; W1153-C1266 WeakPolarHBondContact CB-O 3.35Å; W1153-C1266 PolarHBondContact N-O 3.03Å; E1247-C1266 VanDerWaalsContact C-SG 3.54Å; E1247-C1266 WeakPolarHBondContact O-CB 3.4Å; E1247-C1266 PolarHBondContact O-N 3.13Å; E1247-C1266 PolarHBondContact O-SG 3.32Å; C1249-C1266 HydrophobicContact CB-CB 3.89Å; C1249-C1266 WeakPolarHBondContact CB-SG 3.47Å; C1249-C1266 PolarHBondContact N-SG 3.38Å; C1249-C1266 WeakPolarHBondContact SG-CB 3.41Å; C1249-C1266 CovalentContact SG-SG 2.03Å; C1249-C1266 PolarHBondContact SG-SG 3Å; N1264-C1266 PolarHBondContact O-N 2.96Å |
| 1267 | M | 75.3 | Confident | 77.7 | Confident | 64 Ų | 64 | 33.6 Ų | 33.6 | 32% | 0.315 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.7 | 176.9 | -58.6 | -63.4 | -71.6 | 0 | 0 | 115.2 | D1265 G1781 | D1265-M1267 PolarHBondContact O-N 3.22Å; D1265-M1267 WeakPolarHBondContact OD1-CB 3.35Å; D1265-M1267 VanDerWaalsContact OD1-CG 3.25Å; D1265-M1267 WeakPolarHBondContact OD1-CG 3.24Å; D1265-M1267 PolarHBondContact OD1-N 3.38Å; M1267-G1781 WeakPolarHBondContact O-CA 3.48Å |
| 1268 | E | 76.9 | Confident | 79.1 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -62.9 | 138.2 | 174.3 | -177.6 | -173.6 | 155.7 | 0 | 0 | 111.6 | S1152 W1200 N1264 D1265 K1270 E1782 | S1152-E1268 WeakPolarHBondContact CA-O 3.44Å; W1200-E1268 VanDerWaalsContact CE2-O 3.29Å; W1200-E1268 HydrophobicContact CZ2-CB 3.96Å; W1200-E1268 WeakPolarHBondContact CZ2-O 3.44Å; W1200-E1268 PolarHBondContact NE1-O 3.2Å; N1264-E1268 WeakPolarHBondContact CB-OE2 3.32Å; N1264-E1268 PolarHBondContact ND2-OE2 3.24Å; N1264-E1268 VanDerWaalsContact ND2-OE2 3.15Å; D1265-E1268 PolarHBondContact O-N 2.83Å; E1268-K1270 HydrophobicContact CG-CG 4.06Å; E1268-K1270 PolarHBondContact O-N 3.19Å; E1268-K1270 VanDerWaalsContact OE1-CE 3.32Å; E1268-K1270 WeakPolarHBondContact OE1-CE 3.18Å; E1268-K1270 WeakPolarHBondContact OE1-CG 3.4Å; E1268-K1270 IonicContact OE1-NZ 3.84Å; E1268-K1270 PolarHBondContact OE1-NZ 2.96Å; E1268-K1270 WeakPolarHBondContact OE2-CE 3.46Å; E1268-K1270 IonicContact OE2-NZ 3.52Å; E1268-K1270 PolarHBondContact OE2-NZ 2.87Å; E1268-E1782 HydrophobicContact CB-CB 3.99Å; E1268-E1782 HydrophobicContact CB-CG 4.31Å; E1268-E1782 HydrophobicContact CG-CB 3.95Å |
| 1269 | E | 77.6 | Confident | 79.9 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | trans | -91.4 | 92.6 | 175.4 | -52.8 | -160.1 | 119.9 | 0 | 0 | 113.1 | R1150 T1151 N1783 L1812 | R1150-E1269 HydrophobicContact CB-CB 4.1Å; T1151-E1269 WeakPolarHBondContact CA-OE1 3.34Å; T1151-E1269 PolarHBondContact OG1-OE1 3.06Å; E1269-N1783 HydrophobicContact CB-CB 3.81Å; E1269-N1783 HydrophobicContact CG-CB 4.13Å; E1269-N1783 PolarHBondContact OE2-ND2 2.89Å; E1269-L1812 HydrophobicContact CG-CD2 4.44Å | ||
| 1270 | K | 83.8 | Confident | 80 | Confident | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 163.4 | 168.1 | -54.3 | 174.8 | -166.2 | -81.2 | 0 | 109.8 | R1150 T1151 W1200 S1251 N1264 E1268 | R1150-K1270 WeakPolarHBondContact CA-O 3.37Å; R1150-K1270 WeakPolarHBondContact CB-O 3.46Å; T1151-K1270 PolarHBondContact N-O 3.27Å; T1151-K1270 VanDerWaalsContact N-O 3.08Å; W1200-K1270 HydrophobicContact CD2-CB 4.34Å; W1200-K1270 HydrophobicContact CD2-CD 3.9Å; W1200-K1270 HydrophobicContact CD2-CG 4.41Å; W1200-K1270 HydrophobicContact CE3-CD 4.08Å; W1200-K1270 HydrophobicContact CG-CB 4.09Å; W1200-K1270 HydrophobicContact CG-CD 4.42Å; W1200-K1270 HydrophobicContact CH2-CD 4.38Å; W1200-K1270 HydrophobicContact CZ2-CD 4.21Å; W1200-K1270 HydrophobicContact CZ2-CG 4.47Å; W1200-K1270 HydrophobicContact CZ3-CD 4.3Å; S1251-K1270 VanDerWaalsContact OG-CD 3.31Å; S1251-K1270 WeakPolarHBondContact OG-CD 3.49Å; S1251-K1270 WeakPolarHBondContact OG-CE 3.42Å; S1251-K1270 PolarHBondContact OG-NZ 2.86Å; N1264-K1270 PolarHBondContact ND2-NZ 2.89Å; N1264-K1270 WeakPolarHBondContact OD1-CE 3.33Å; N1264-K1270 PolarHBondContact OD1-NZ 3.21Å; N1264-K1270 VanDerWaalsContact OD1-NZ 3.08Å; E1268-K1270 HydrophobicContact CG-CG 4.06Å; E1268-K1270 PolarHBondContact O-N 3.19Å; E1268-K1270 VanDerWaalsContact OE1-CE 3.32Å; E1268-K1270 WeakPolarHBondContact OE1-CE 3.18Å; E1268-K1270 WeakPolarHBondContact OE1-CG 3.4Å; E1268-K1270 IonicContact OE1-NZ 3.84Å; E1268-K1270 PolarHBondContact OE1-NZ 2.96Å; E1268-K1270 WeakPolarHBondContact OE2-CE 3.46Å; E1268-K1270 IonicContact OE2-NZ 3.52Å; E1268-K1270 PolarHBondContact OE2-NZ 2.87Å |
| 1271 | S | 87.5 | Confident | 79.9 | Confident | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 166.4 | 159.9 | -54.3 | 0 | 0 | 0 | 0 | 108.8 | V1147 S1196 F1199 W1200 | V1147-S1271 PolarHBondContact O-OG 3.07Å; S1196-S1271 WeakPolarHBondContact CB-OG 3.13Å; S1196-S1271 PolarHBondContact OG-OG 3.33Å; F1199-S1271 CarbonylContact C-O 3.54Å; F1199-S1271 WeakPolarHBondContact CA-O 3.3Å; F1199-S1271 WeakPolarHBondContact CB-O 3.49Å; W1200-S1271 PolarHBondContact N-O 2.99Å |
| 1272 | F | 92.6 | Very high | 78.9 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167.1 | 179.4 | 55.4 | -82.1 | 0 | 0 | 0 | 110.5 | W1143 P1145 D1149 T1151 A1156 V1159 L1178 W1200 | W1143-F1272 HydrophobicContact CZ3-CE2 4.16Å; W1143-F1272 HydrophobicContact CZ3-CZ 4.43Å; P1145-F1272 HydrophobicContact CB-CZ 4.48Å; P1145-F1272 WeakPolarHBondContact CD-O 3.37Å; P1145-F1272 HydrophobicContact CG-CD1 4.32Å; P1145-F1272 HydrophobicContact CG-CD2 3.87Å; P1145-F1272 HydrophobicContact CG-CE1 4.15Å; P1145-F1272 HydrophobicContact CG-CE2 3.71Å; P1145-F1272 HydrophobicContact CG-CG 4.17Å; P1145-F1272 HydrophobicContact CG-CZ 3.85Å; P1145-F1272 WeakPolarHBondContact CG-O 3.48Å; D1149-F1272 WeakPolarHBondContact O-CD1 3.27Å; D1149-F1272 WeakPolarHBondContact O-CE1 3.38Å; T1151-F1272 HydrophobicContact CG2-CD1 4.36Å; T1151-F1272 HydrophobicContact CG2-CE1 4Å; A1156-F1272 HydrophobicContact CB-CB 3.74Å; A1156-F1272 HydrophobicContact CB-CD1 3.85Å; A1156-F1272 HydrophobicContact CB-CD2 3.84Å; A1156-F1272 HydrophobicContact CB-CE1 4.39Å; A1156-F1272 HydrophobicContact CB-CE2 4.37Å; A1156-F1272 HydrophobicContact CB-CG 3.56Å; V1159-F1272 HydrophobicContact CB-CE2 4.1Å; V1159-F1272 HydrophobicContact CB-CZ 4.11Å; V1159-F1272 HydrophobicContact CG1-CE2 3.85Å; V1159-F1272 HydrophobicContact CG1-CZ 3.8Å; L1178-F1272 HydrophobicContact CD2-CB 3.72Å; L1178-F1272 HydrophobicContact CD2-CD2 4.25Å; L1178-F1272 HydrophobicContact CD2-CG 4.41Å; W1200-F1272 HydrophobicContact CB-CB 3.96Å |
| 1273 | I | 90.7 | Very high | 78.1 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -128.1 | 129 | 171.5 | -55.5 | -176.3 | 0 | 0 | 0 | 107.9 | Y1142 L1144 L1178 A1179 L1190 F1199 W1200 | Y1142-I1273 HydrophobicContact CD1-CG2 4.22Å; L1144-I1273 HydrophobicContact CD1-CG2 3.88Å; L1144-I1273 HydrophobicContact CD2-CD1 4.37Å; L1144-I1273 HydrophobicContact CG-CD1 4.19Å; L1144-I1273 HydrophobicContact CG-CG1 4.22Å; L1144-I1273 HydrophobicContact CG-CG2 4.11Å; L1178-I1273 CarbonylContact C-O 3.57Å; L1178-I1273 WeakPolarHBondContact CA-O 3.19Å; A1179-I1273 HydrophobicContact CB-CB 4.02Å; A1179-I1273 HydrophobicContact CB-CG2 3.99Å; A1179-I1273 PolarHBondContact N-O 2.76Å; L1190-I1273 HydrophobicContact CB-CD1 3.95Å; L1190-I1273 HydrophobicContact CD1-CD1 4.4Å; L1190-I1273 HydrophobicContact CD2-CD1 4.13Å; L1190-I1273 HydrophobicContact CD2-CG2 4.18Å; L1190-I1273 HydrophobicContact CG-CD1 4.39Å; F1199-I1273 HydrophobicContact CD2-CD1 3.66Å; F1199-I1273 HydrophobicContact CD2-CG1 3.85Å; F1199-I1273 HydrophobicContact CE2-CD1 3.54Å; F1199-I1273 HydrophobicContact CE2-CG1 4.23Å; F1199-I1273 HydrophobicContact CG-CD1 4.25Å; F1199-I1273 HydrophobicContact CG-CG1 4.36Å; F1199-I1273 HydrophobicContact CZ-CD1 4.03Å; W1200-I1273 PolarHBondContact O-N 3.28Å | ||
| 1274 | C | 91 | Very high | 77 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 149.7 | 174.8 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | W1134 Y1142 W1143 C1160 H1177 | W1134-C1274 HydrophobicContact CH2-CB 4.47Å; Y1142-C1274 CarbonylContact C-O 3.56Å; Y1142-C1274 WeakPolarHBondContact CA-O 3.34Å; W1143-C1274 HydrophobicContact CB-CB 4.27Å; W1143-C1274 HydrophobicContact CE3-CB 4.43Å; W1143-C1274 PolarHBondContact N-O 3.04Å; W1143-C1274 PolarHBondContact O-N 3.48Å; C1160-C1274 WeakPolarHBondContact CA-SG 3.34Å; C1160-C1274 HydrophobicContact CB-CB 3.6Å; C1160-C1274 WeakPolarHBondContact CB-SG 3.36Å; C1160-C1274 WeakPolarHBondContact SG-CA 3.32Å; C1160-C1274 WeakPolarHBondContact SG-CB 3.48Å; C1160-C1274 CovalentContact SG-SG 2.04Å; C1160-C1274 PolarHBondContact SG-SG 2.74Å; H1177-C1274 CarbonylContact O-C 3.55Å; H1177-C1274 VanDerWaalsContact O-CA 3.3Å; H1177-C1274 WeakPolarHBondContact O-CA 3.35Å |
| 1275 | Q | 88.7 | Confident | 75.8 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.2 | -178.9 | 167 | 171.1 | -43.2 | 0 | 0 | 110.2 | N1140 C1141 Y1142 H1177 A1179 S1180 D1222 | N1140-Q1275 HydrophobicContact CB-CG 4.45Å; N1140-Q1275 PolarHBondContact ND2-NE2 2.75Å; C1141-Q1275 CarbonylContact O-C 3.56Å; C1141-Q1275 WeakPolarHBondContact O-CA 3.3Å; Y1142-Q1275 HydrophobicContact CD1-CB 4.14Å; Y1142-Q1275 HydrophobicContact CE1-CB 4.1Å; Y1142-Q1275 HydrophobicContact CE1-CG 4.15Å; H1177-Q1275 PolarHBondContact N-O 3.07Å; H1177-Q1275 PolarHBondContact O-N 2.81Å; A1179-Q1275 HydrophobicContact CB-CB 4.34Å; S1180-Q1275 PolarHBondContact O-OE1 2.74Å; S1180-Q1275 PolarHBondContact OG-NE2 3.35Å; S1180-Q1275 PolarHBondContact OG-OE1 3.37Å; D1222-Q1275 PolarHBondContact OD2-NE2 3.05Å |
| 1276 | F | 84.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 132.7 | 178.2 | 179.7 | -100.2 | 0 | 0 | 0 | 110.5 | W1134 C1141 A1164 V1168 N1175 D1280 L1281 | W1134-F1276 HydrophobicContact CE3-CB 4.48Å; W1134-F1276 HydrophobicContact CH2-CB 4.17Å; W1134-F1276 HydrophobicContact CZ3-CB 3.73Å; C1141-F1276 PolarHBondContact N-O 3.17Å; C1141-F1276 PolarHBondContact O-N 3.07Å; A1164-F1276 HydrophobicContact CB-CD2 3.5Å; A1164-F1276 VanDerWaalsContact CB-CD2 3.5Å; A1164-F1276 HydrophobicContact CB-CE2 3.81Å; A1164-F1276 HydrophobicContact CB-CG 4.36Å; V1168-F1276 HydrophobicContact CG2-CE1 4.48Å; V1168-F1276 HydrophobicContact CG2-CE2 3.79Å; V1168-F1276 HydrophobicContact CG2-CZ 3.42Å; V1168-F1276 VanDerWaalsContact CG2-CZ 3.42Å; N1175-F1276 HydrophobicContact CB-CD2 4.28Å; N1175-F1276 HydrophobicContact CB-CE2 3.85Å; N1175-F1276 WeakPolarHBondContact O-CD2 3.4Å; F1276-D1280 HydrophobicContact CE1-CB 4Å; F1276-D1280 HydrophobicContact CE2-CB 4.18Å; F1276-D1280 HydrophobicContact CZ-CB 3.45Å; F1276-D1280 VanDerWaalsContact CZ-CB 3.45Å; F1276-L1281 HydrophobicContact CE1-CD2 3.88Å; F1276-L1281 HydrophobicContact CE1-CG 3.97Å |
| 1277 | P | 81.9 | Confident | 72.9 | Confident | 49 Ų | 49 | 38.5 Ų | 38.5 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.5 | -179.4 | -20.3 | 33.3 | 0 | 0 | 0 | 113.3 | L1279 D1280 | P1277-L1279 PolarHBondContact O-N 2.79Å; P1277-D1280 PolarHBondContact O-N 3.28Å |
| 1278 | K | 79.4 | Confident | 71.2 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -21 | 173.2 | -71 | 172.1 | -172 | 172.6 | 0 | 113.5 | L1127 C1130 S1136 R1138 E1139 N1140 C1141 D1280 L1281 | L1127-K1278 HydrophobicContact CB-CB 4.32Å; L1127-K1278 HydrophobicContact CB-CD 3.98Å; L1127-K1278 HydrophobicContact CD2-CB 3.92Å; C1130-K1278 VanDerWaalsContact SG-CE 3.6Å; S1136-K1278 PolarHBondContact OG-NZ 3.45Å; R1138-K1278 PolarHBondContact O-NZ 3.1Å; E1139-K1278 WeakPolarHBondContact O-CB 3.14Å; E1139-K1278 WeakPolarHBondContact O-CD 3.4Å; E1139-K1278 WeakPolarHBondContact O-CG 3.41Å; E1139-K1278 PolarHBondContact O-N 2.71Å; N1140-K1278 VanDerWaalsContact O-CE 3.31Å; N1140-K1278 WeakPolarHBondContact O-CE 3.44Å; C1141-K1278 WeakPolarHBondContact SG-CG 3.48Å; K1278-D1280 VanDerWaalsContact C-N 3.3Å; K1278-D1280 PolarHBondContact O-N 3.16Å; K1278-L1281 WeakPolarHBondContact O-CB 3.26Å; K1278-L1281 PolarHBondContact O-N 3.12Å |
| 1279 | L | 70.2 | Confident | 69.1 | Low | 105 Ų | 105 | 48.3 Ų | 48.3 | 55% | 0.55 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -35.3 | -177.9 | -173 | 59.6 | 0 | 0 | 0 | 112 | P1277 L1281 L1282 L1283 | P1277-L1279 PolarHBondContact O-N 2.79Å; L1279-L1281 VanDerWaalsContact C-N 3.26Å; L1279-L1281 PolarHBondContact O-N 2.88Å; L1279-L1282 HydrophobicContact CD1-CD1 4.22Å; L1279-L1282 WeakPolarHBondContact O-CA 3.28Å; L1279-L1282 WeakPolarHBondContact O-CB 3.46Å; L1279-L1282 PolarHBondContact O-N 2.77Å; L1279-L1283 PolarHBondContact O-N 3.07Å; L1279-L1283 VanDerWaalsContact O-N 3.11Å |
| 1280 | D | 67 | Low | 67.2 | Low | 28 Ų | 28 | 52.4 Ų | 52.4 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -27.9 | 179.5 | -69 | -19.4 | 0 | 0 | 0 | 112.6 | N1175 F1276 P1277 K1278 L1282 L1283 Q1284 | N1175-D1280 WeakPolarHBondContact CB-OD2 3.47Å; N1175-D1280 PolarHBondContact ND2-OD2 2.92Å; F1276-D1280 HydrophobicContact CE1-CB 4Å; F1276-D1280 HydrophobicContact CE2-CB 4.18Å; F1276-D1280 HydrophobicContact CZ-CB 3.45Å; F1276-D1280 VanDerWaalsContact CZ-CB 3.45Å; P1277-D1280 PolarHBondContact O-N 3.28Å; K1278-D1280 VanDerWaalsContact C-N 3.3Å; K1278-D1280 PolarHBondContact O-N 3.16Å; D1280-L1282 VanDerWaalsContact C-N 3.31Å; D1280-L1282 PolarHBondContact O-N 2.88Å; D1280-L1283 PolarHBondContact O-N 3.35Å; D1280-Q1284 PolarHBondContact O-N 3.02Å |
| 1281 | L | 66.6 | Low | 64.4 | Low | 20 Ų | 20 | 57.5 Ų | 57.5 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 171.5 | -58.1 | 175 | 0 | 0 | 0 | 111.9 | P1128 P1131 F1276 K1278 L1279 Q1285 | P1128-L1281 HydrophobicContact CB-CB 4.44Å; P1128-L1281 HydrophobicContact CG-CB 3.46Å; P1128-L1281 VanDerWaalsContact CG-CB 3.46Å; P1128-L1281 HydrophobicContact CG-CD1 4.06Å; P1128-L1281 HydrophobicContact CG-CG 4.39Å; P1131-L1281 HydrophobicContact CG-CD1 4.49Å; P1131-L1281 HydrophobicContact CG-CD2 4.39Å; F1276-L1281 HydrophobicContact CE1-CD2 3.88Å; F1276-L1281 HydrophobicContact CE1-CG 3.97Å; K1278-L1281 WeakPolarHBondContact O-CB 3.26Å; K1278-L1281 PolarHBondContact O-N 3.12Å; L1279-L1281 VanDerWaalsContact C-N 3.26Å; L1279-L1281 PolarHBondContact O-N 2.88Å; L1281-Q1285 WeakPolarHBondContact O-CG 3.38Å; L1281-Q1285 PolarHBondContact O-N 3.24Å; L1281-Q1285 VanDerWaalsContact O-N 3.15Å |
| 1282 | L | 59.9 | Low | 61.6 | Low | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.2 | -42.4 | 174.3 | -73 | 166 | 0 | 0 | 0 | 111.4 | V1125 L1127 P1128 L1279 D1280 Q1284 Q1285 Q1286 | V1125-L1282 HydrophobicContact CG1-CD1 3.61Å; L1127-L1282 HydrophobicContact CD2-CD1 4.1Å; P1128-L1282 HydrophobicContact CG-CD2 4.34Å; P1128-L1282 HydrophobicContact CG-CG 4.12Å; L1279-L1282 HydrophobicContact CD1-CD1 4.22Å; L1279-L1282 WeakPolarHBondContact O-CA 3.28Å; L1279-L1282 WeakPolarHBondContact O-CB 3.46Å; L1279-L1282 PolarHBondContact O-N 2.77Å; D1280-L1282 VanDerWaalsContact C-N 3.31Å; D1280-L1282 PolarHBondContact O-N 2.88Å; L1282-Q1284 PolarHBondContact O-N 3.43Å; L1282-Q1285 PolarHBondContact O-N 2.62Å; L1282-Q1286 WeakPolarHBondContact O-CG 3.01Å; L1282-Q1286 PolarHBondContact O-N 2.97Å |
| 1283 | L | 58.1 | Low | 58.5 | Low | 79 Ų | 79 | 70.7 Ų | 70.7 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 173.8 | -65.2 | 176.4 | 0 | 0 | 0 | 110.7 | L1279 D1280 Q1285 Q1286 Q1287 | L1279-L1283 PolarHBondContact O-N 3.07Å; L1279-L1283 VanDerWaalsContact O-N 3.11Å; D1280-L1283 PolarHBondContact O-N 3.35Å; L1283-Q1285 PolarHBondContact O-N 3.23Å; L1283-Q1286 PolarHBondContact O-N 2.93Å; L1283-Q1287 WeakPolarHBondContact O-CB 3.3Å; L1283-Q1287 WeakPolarHBondContact O-CG 3.02Å; L1283-Q1287 PolarHBondContact O-N 3.36Å |
| 1284 | Q | 52.2 | Low | 55.4 | Low | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.107 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 173.1 | -116 | -151.9 | 18.2 | 0 | 0 | 113.7 | L1167 V1168 D1280 L1282 Q1287 R1288 | L1167-Q1284 PolarHBondContact O-NE2 3.23Å; V1168-Q1284 VanDerWaalsContact CA-NE2 3.35Å; D1280-Q1284 PolarHBondContact O-N 3.02Å; L1282-Q1284 PolarHBondContact O-N 3.43Å; Q1284-Q1287 PolarHBondContact O-N 3.13Å; Q1284-R1288 WeakPolarHBondContact O-CB 3.3Å; Q1284-R1288 VanDerWaalsContact O-CG 3.28Å; Q1284-R1288 WeakPolarHBondContact O-CG 3.31Å; Q1284-R1288 PolarHBondContact O-N 2.79Å |
| 1285 | Q | 53.3 | Low | 52.3 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 177.3 | -74.5 | -179.8 | 9 | 0 | 0 | 111.5 | L1281 L1282 L1283 Q1289 | L1281-Q1285 WeakPolarHBondContact O-CG 3.38Å; L1281-Q1285 PolarHBondContact O-N 3.24Å; L1281-Q1285 VanDerWaalsContact O-N 3.15Å; L1282-Q1285 PolarHBondContact O-N 2.62Å; L1283-Q1285 PolarHBondContact O-N 3.23Å; Q1285-Q1289 WeakPolarHBondContact O-CB 3.31Å; Q1285-Q1289 WeakPolarHBondContact O-CG 3.47Å; Q1285-Q1289 PolarHBondContact O-N 3.43Å; Q1285-Q1289 VanDerWaalsContact O-N 3.07Å |
| 1286 | Q | 49.3 | Very low | 49.5 | Very low | 117 Ų | 117 | 95.2 Ų | 95.2 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 174.6 | -69.3 | 175.3 | -13.7 | 0 | 0 | 111.6 | L1282 L1283 Q1289 T1290 | L1282-Q1286 WeakPolarHBondContact O-CG 3.01Å; L1282-Q1286 PolarHBondContact O-N 2.97Å; L1283-Q1286 PolarHBondContact O-N 2.93Å; Q1286-Q1289 PolarHBondContact O-N 3.44Å; Q1286-T1290 PolarHBondContact O-N 2.98Å; Q1286-T1290 VanDerWaalsContact O-N 3.14Å; Q1286-T1290 PolarHBondContact O-OG1 3.42Å |
| 1287 | Q | 44.2 | Very low | 46.8 | Very low | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 176.4 | -75.3 | 175.3 | -15.1 | 0 | 0 | 112.5 | L1283 Q1284 Q1289 T1290 T1291 | L1283-Q1287 WeakPolarHBondContact O-CB 3.3Å; L1283-Q1287 WeakPolarHBondContact O-CG 3.02Å; L1283-Q1287 PolarHBondContact O-N 3.36Å; Q1284-Q1287 PolarHBondContact O-N 3.13Å; Q1287-Q1289 PolarHBondContact O-N 3.27Å; Q1287-T1290 WeakPolarHBondContact CA-OG1 3.3Å; Q1287-T1290 PolarHBondContact O-N 3.49Å; Q1287-T1290 PolarHBondContact O-OG1 3.47Å; Q1287-T1291 PolarHBondContact O-N 3.01Å; Q1287-T1291 VanDerWaalsContact O-N 3.13Å |
| 1288 | R | 40.2 | Very low | 44.2 | Very low | 146 Ų | 146 | 112.6 Ų | 112.6 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -26.6 | 176 | -69.2 | -179.7 | -161.9 | -138.4 | 9.3 | 113.2 | Q1284 T1291 | Q1284-R1288 WeakPolarHBondContact O-CB 3.3Å; Q1284-R1288 VanDerWaalsContact O-CG 3.28Å; Q1284-R1288 WeakPolarHBondContact O-CG 3.31Å; Q1284-R1288 PolarHBondContact O-N 2.79Å; R1288-T1291 PolarHBondContact O-OG1 3.09Å |
| 1289 | Q | 31.8 | Very low | 41.7 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.5 | -24 | 172.4 | -77.5 | 178.6 | -6.1 | 0 | 0 | 113.1 | Q1285 Q1286 Q1287 | Q1285-Q1289 WeakPolarHBondContact O-CB 3.31Å; Q1285-Q1289 WeakPolarHBondContact O-CG 3.47Å; Q1285-Q1289 PolarHBondContact O-N 3.43Å; Q1285-Q1289 VanDerWaalsContact O-N 3.07Å; Q1286-Q1289 PolarHBondContact O-N 3.44Å; Q1287-Q1289 PolarHBondContact O-N 3.27Å |
| 1290 | T | 37.9 | Very low | 39.5 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 63% | 0.632 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -90.1 | -16.4 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | Q1286 Q1287 V1292 | Q1286-T1290 PolarHBondContact O-N 2.98Å; Q1286-T1290 VanDerWaalsContact O-N 3.14Å; Q1286-T1290 PolarHBondContact O-OG1 3.42Å; Q1287-T1290 WeakPolarHBondContact CA-OG1 3.3Å; Q1287-T1290 PolarHBondContact O-N 3.49Å; Q1287-T1290 PolarHBondContact O-OG1 3.47Å; T1290-V1292 PolarHBondContact O-N 2.03Å |
| 1291 | T | 26.5 | Very low | 37.7 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | trans | -80.9 | 52.7 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 113 | Q1287 R1288 | Q1287-T1291 PolarHBondContact O-N 3.01Å; Q1287-T1291 VanDerWaalsContact O-N 3.13Å; R1288-T1291 PolarHBondContact O-OG1 3.09Å | ||
| 1292 | V | 27.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 74% | 0.739 | 64% | 0.641 | S | S | * | * | trans | -128.5 | 51.9 | 165.3 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | T1290 | T1290-V1292 PolarHBondContact O-N 2.03Š| ||
| 1293 | M | 26.8 | Very low | 34.2 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | trans | -139.1 | 89 | 173.1 | -75 | -61.7 | -78.5 | 0 | 0 | 110.5 | ||||
| 1294 | D | 27.4 | Very low | 32.8 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 84% | 0.84 | 69% | 0.689 | S | S | * | * | trans | 50.2 | 149.2 | 144.6 | -141.7 | -4.7 | 0 | 0 | 0 | 121.6 | ||||
| 1295 | D | 25.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -70 | 167.4 | 173.8 | -84.8 | -56 | 0 | 0 | 0 | 112.3 | ||
| 1296 | R | 30.1 | Very low | 30.1 | Very low | 231 Ų | 231 | 144.8 Ų | 144.8 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | 73.5 | 86.4 | 166.5 | -45.1 | 174.5 | -173.4 | -171.8 | -0.2 | 116.3 | ||||
| 1297 | R | 28.2 | Very low | 28.9 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | -158.1 | 135.2 | 113.8 | -103.5 | 148.8 | -162.5 | -153.3 | 4 | 111.9 | I1299 | R1297-I1299 PolarHBondContact O-N 3.34Š| |||
| 1298 | E | 25.7 | Very low | 28 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -65.1 | 98.6 | 164 | -60.7 | 171.7 | 134.5 | 0 | 0 | 108.3 | K1300 | E1298-K1300 PolarHBondContact O-N 2.93Š| ||
| 1299 | I | 28.1 | Very low | 27.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -73.5 | 90.5 | 162.7 | -59.3 | -179 | 0 | 0 | 0 | 105.8 | R1297 S1301 | R1297-I1299 PolarHBondContact O-N 3.34Å; I1299-S1301 PolarHBondContact O-N 3.12Å | ||
| 1300 | K | 24.3 | Very low | 27.8 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -47.9 | 135 | 168.3 | -64.9 | 178.8 | 179 | -178.5 | 0 | 108 | E1298 | E1298-K1300 PolarHBondContact O-N 2.93Š| ||
| 1301 | S | 29.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | -49.4 | 144.9 | 167.6 | 43 | 0 | 0 | 0 | 0 | 109.3 | I1299 L1303 | I1299-S1301 PolarHBondContact O-N 3.12Å; S1301-L1303 PolarHBondContact O-N 2.98Å | ||
| 1302 | P | 28.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -60.1 | 105.5 | 175.6 | 24.9 | -32.6 | 0 | 0 | 0 | 108.1 | I1304 | P1302-I1304 VanDerWaalsContact C-N 3.31Å; P1302-I1304 PolarHBondContact O-N 3.46Å | ||
| 1303 | L | 23.5 | Very low | 31.1 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -57.2 | 100.5 | 165.7 | -78.7 | 149.3 | 0 | 0 | 0 | 106.1 | S1301 T1305 | S1301-L1303 PolarHBondContact O-N 2.98Å; L1303-T1305 VanDerWaalsContact C-N 3.32Å; L1303-T1305 PolarHBondContact O-N 3.05Å | ||
| 1304 | I | 28.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -56.1 | 108.2 | 161.5 | -62.6 | 177.3 | 0 | 0 | 0 | 104 | P1302 T1306 | P1302-I1304 VanDerWaalsContact C-N 3.31Å; P1302-I1304 PolarHBondContact O-N 3.46Å; I1304-T1306 PolarHBondContact O-N 3.21Å | ||
| 1305 | T | 24.9 | Very low | 34.1 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | trans | -62.9 | 115.1 | -175.1 | 33.3 | 0 | 0 | 0 | 0 | 106.9 | L1303 T1307 | L1303-T1305 VanDerWaalsContact C-N 3.32Å; L1303-T1305 PolarHBondContact O-N 3.05Å; T1305-T1307 PolarHBondContact O-N 3.16Å | ||
| 1306 | T | 24.9 | Very low | 36 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | trans | -71.4 | 70.3 | 173.2 | 38.3 | 0 | 0 | 0 | 0 | 109 | I1304 T1308 | I1304-T1306 PolarHBondContact O-N 3.21Å; T1306-T1308 VanDerWaalsContact C-N 3.33Å; T1306-T1308 PolarHBondContact O-N 2.88Å | ||
| 1307 | T | 24.1 | Very low | 38.2 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | trans | -53.6 | 106.5 | 152 | 44.4 | 0 | 0 | 0 | 0 | 106.2 | T1305 I1309 | T1305-T1307 PolarHBondContact O-N 3.16Å; T1307-I1309 PolarHBondContact O-N 2.87Å | ||
| 1308 | T | 25.8 | Very low | 40.9 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 80% | 0.798 | 62% | 0.618 | S | S | * | * | trans | -70.2 | 67.1 | 170 | 38 | 0 | 0 | 0 | 0 | 108.8 | T1306 T1310 | T1306-T1308 VanDerWaalsContact C-N 3.33Å; T1306-T1308 PolarHBondContact O-N 2.88Å; T1308-T1310 PolarHBondContact O-N 2.89Å | ||
| 1309 | I | 32.3 | Very low | 43.5 | Very low | 125 Ų | 125 | 106 Ų | 106 | 64% | 0.641 | 60% | 0.596 | S | S | * | * | trans | -61.1 | 105.9 | 166.4 | -53.3 | 177.4 | 0 | 0 | 0 | 104.9 | T1307 T1311 | T1307-I1309 PolarHBondContact O-N 2.87Å; I1309-T1311 HydrophobicContact CB-CG2 4.22Å; I1309-T1311 HydrophobicContact CG2-CG2 3.64Å; I1309-T1311 PolarHBondContact O-N 2.98Å | ||
| 1310 | T | 34.2 | Very low | 46.1 | Very low | 130 Ų | 130 | 100 Ų | 100 | 80% | 0.798 | 57% | 0.565 | S | S | * | * | trans | -72 | 83.7 | 167.3 | 29.6 | 0 | 0 | 0 | 0 | 106.4 | T1308 T1312 | T1308-T1310 PolarHBondContact O-N 2.89Å; T1310-T1312 VanDerWaalsContact C-N 3.33Å; T1310-T1312 PolarHBondContact O-N 3.21Å | ||
| 1311 | T | 46.6 | Very low | 48.9 | Very low | 56 Ų | 56 | 99.2 Ų | 99.2 | 34% | 0.344 | 56% | 0.557 | S | S | . | * | trans | -64.4 | 90.5 | -176.4 | 37.8 | 0 | 0 | 0 | 0 | 110 | I1309 L1450 | I1309-T1311 HydrophobicContact CB-CG2 4.22Å; I1309-T1311 HydrophobicContact CG2-CG2 3.64Å; I1309-T1311 PolarHBondContact O-N 2.98Å; T1311-L1450 WeakPolarHBondContact O-CD1 3.19Å; T1311-L1450 VanDerWaalsContact O-CD2 3.25Å; T1311-L1450 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1312 | T | 52.5 | Low | 51.4 | Low | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | trans | -67.2 | 157.9 | 158.6 | 40.5 | 0 | 0 | 0 | 0 | 109.7 | T1310 T1314 | T1310-T1312 VanDerWaalsContact C-N 3.33Å; T1310-T1312 PolarHBondContact O-N 3.21Å; T1312-T1314 PolarHBondContact O-N 2.78Å; T1312-T1314 PolarHBondContact O-OG1 3.5Å; T1312-T1314 WeakPolarHBondContact OG1-CG2 3.26Å; T1312-T1314 PolarHBondContact OG1-OG1 2.85Å | ||
| 1313 | C | 63.1 | Low | 53.7 | Low | 22 Ų | 22 | 95.9 Ų | 95.9 | 15% | 0.149 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 63.5 | 171.3 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | F1318 R1321 C1328 | C1313-F1318 WeakPolarHBondContact CB-O 3.34Å; C1313-R1321 HydrophobicContact CB-CB 4.11Å; C1313-R1321 VanDerWaalsContact SG-CA 3.58Å; C1313-R1321 VanDerWaalsContact SG-CB 3.51Å; C1313-C1328 WeakPolarHBondContact CA-SG 3.44Å; C1313-C1328 HydrophobicContact CB-CB 3.94Å; C1313-C1328 WeakPolarHBondContact CB-SG 3.45Å; C1313-C1328 WeakPolarHBondContact SG-CB 3.47Å; C1313-C1328 CovalentContact SG-SG 2.03Å; C1313-C1328 PolarHBondContact SG-SG 2.8Å |
| 1314 | T | 55.4 | Low | 55.9 | Low | 109 Ų | 109 | 92.7 Ų | 92.7 | 67% | 0.669 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -4.4 | -176.5 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | T1312 | T1312-T1314 PolarHBondContact O-N 2.78Å; T1312-T1314 PolarHBondContact O-OG1 3.5Å; T1312-T1314 WeakPolarHBondContact OG1-CG2 3.26Å; T1312-T1314 PolarHBondContact OG1-OG1 2.85Å |
| 1315 | E | 61.1 | Low | 57.8 | Low | 91 Ų | 91 | 86.2 Ų | 86.2 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -74.7 | 127.3 | 168.1 | -175.3 | 154.9 | -113.2 | 0 | 0 | 109 | S1317 F1318 H1350 | E1315-S1317 PolarHBondContact O-N 2.95Å; E1315-F1318 CarbonylContact O-C 3.59Å; E1315-F1318 PolarHBondContact O-N 2.93Å; E1315-H1350 IonicContact OE2-CD2 2.72Å |
| 1316 | K | 66 | Low | 60.4 | Low | 203 Ų | 203 | 83.9 Ų | 83.9 | 88% | 0.883 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.6 | -167.1 | -70.5 | -173.8 | 176.2 | -176.3 | 0 | 114.3 | ||
| 1317 | S | 75.2 | Confident | 63.2 | Low | 54 Ų | 54 | 79.8 Ų | 79.8 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -18.5 | -179.8 | -44.4 | 0 | 0 | 0 | 0 | 113.6 | E1315 P1319 S1330 | E1315-S1317 PolarHBondContact O-N 2.95Å; S1317-P1319 VanDerWaalsContact C-CD 3.5Å; S1317-S1330 WeakPolarHBondContact O-CA 3.49Å; S1317-S1330 WeakPolarHBondContact O-CB 3.03Å |
| 1318 | F | 86.1 | Confident | 66.1 | Low | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 40% | 0.402 | C | S | . | . | trans | -131.3 | 60.8 | -176.3 | -60.6 | -83.3 | 0 | 0 | 0 | 111.9 | C1313 E1315 I1320 C1328 Y1329 M1349 H1350 A1353 C1446 L1448 | C1313-F1318 WeakPolarHBondContact CB-O 3.34Å; E1315-F1318 CarbonylContact O-C 3.59Å; E1315-F1318 PolarHBondContact O-N 2.93Å; F1318-I1320 VanDerWaalsContact C-N 3.3Å; F1318-I1320 PolarHBondContact O-N 2.86Å; F1318-C1328 HydrophobicContact CB-CB 3.78Å; F1318-Y1329 CarbonylContact C-O 3.51Å; F1318-Y1329 WeakPolarHBondContact CA-O 3.29Å; F1318-M1349 HydrophobicContact CE2-CB 4.18Å; F1318-M1349 HydrophobicContact CZ-CB 4.19Å; F1318-M1349 HydrophobicContact CZ-CE 4.41Å; F1318-H1350 HydrophobicContact CE2-CB 3.95Å; F1318-H1350 HydrophobicContact CZ-CB 4.48Å; F1318-A1353 HydrophobicContact CE1-CB 3.97Å; F1318-A1353 HydrophobicContact CE2-CB 4.28Å; F1318-A1353 HydrophobicContact CZ-CB 3.46Å; F1318-A1353 VanDerWaalsContact CZ-CB 3.46Å; F1318-C1446 HydrophobicContact CE1-CB 3.84Å; F1318-C1446 HydrophobicContact CZ-CB 4.36Å; F1318-L1448 HydrophobicContact CB-CD2 4.3Å; F1318-L1448 HydrophobicContact CD1-CB 3.74Å; F1318-L1448 HydrophobicContact CD2-CB 4.31Å; F1318-L1448 HydrophobicContact CD2-CD2 3.78Å; F1318-L1448 HydrophobicContact CE1-CB 3.89Å; F1318-L1448 HydrophobicContact CE2-CB 4.45Å; F1318-L1448 HydrophobicContact CE2-CD2 4.26Å; F1318-L1448 HydrophobicContact CG-CB 3.98Å; F1318-L1448 HydrophobicContact CG-CD2 3.98Å; F1318-L1448 HydrophobicContact CZ-CB 4.27Å | ||
| 1319 | P | 79.3 | Confident | 69.1 | Low | 54 Ų | 54 | 68.8 Ų | 68.8 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | trans | -76.3 | -13.2 | -172.8 | 31.3 | -34.4 | 0 | 0 | 0 | 113.9 | S1317 E1331 | S1317-P1319 VanDerWaalsContact C-CD 3.5Å; P1319-E1331 HydrophobicContact CG-CG 3.63Å | ||
| 1320 | I | 82.8 | Confident | 71.8 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109 | -171.5 | -48.4 | -173.7 | 0 | 0 | 0 | 110 | F1318 C1328 Y1329 E1331 I1370 | F1318-I1320 VanDerWaalsContact C-N 3.3Å; F1318-I1320 PolarHBondContact O-N 2.86Å; I1320-C1328 CarbonylContact O-C 3.58Å; I1320-C1328 WeakPolarHBondContact O-CA 3.48Å; I1320-Y1329 PolarHBondContact N-O 2.75Å; I1320-Y1329 PolarHBondContact O-N 2.86Å; I1320-E1331 HydrophobicContact CD1-CG 4.41Å; I1320-I1370 HydrophobicContact CB-CD1 4.48Å; I1320-I1370 HydrophobicContact CD1-CB 4.42Å; I1320-I1370 HydrophobicContact CD1-CD1 3.99Å; I1320-I1370 HydrophobicContact CD1-CG1 3.74Å; I1320-I1370 HydrophobicContact CD1-CG2 3.92Å; I1320-I1370 HydrophobicContact CG2-CD1 4.01Å; I1320-I1370 HydrophobicContact CG2-CG1 4.17Å |
| 1321 | R | 82.6 | Confident | 74.1 | Confident | 142 Ų | 142 | 62 Ų | 62 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.1 | 172.8 | 175.2 | 162.7 | -82.8 | -164.6 | -7.7 | 111.2 | C1313 | C1313-R1321 HydrophobicContact CB-CB 4.11Å; C1313-R1321 VanDerWaalsContact SG-CA 3.58Å; C1313-R1321 VanDerWaalsContact SG-CB 3.51Å |
| 1322 | S | 81.7 | Confident | 75.8 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | trans | -62.9 | 145.8 | 168.6 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | I1324 G1325 Y1327 E1366 | S1322-I1324 VanDerWaalsContact C-N 3.34Å; S1322-I1324 PolarHBondContact OG-N 3.05Å; S1322-I1324 VanDerWaalsContact OG-N 3.12Å; S1322-G1325 PolarHBondContact OG-N 3.05Å; S1322-Y1327 PolarHBondContact N-O 2.85Å; S1322-Y1327 VanDerWaalsContact N-O 3.11Å; S1322-E1366 VanDerWaalsContact CA-OE2 3.23Å; S1322-E1366 WeakPolarHBondContact CA-OE2 3.46Å; S1322-E1366 VanDerWaalsContact CB-OE2 3.25Å; S1322-E1366 WeakPolarHBondContact CB-OE2 3.31Å; S1322-E1366 PolarHBondContact OG-OE2 3.2Å | ||
| 1323 | K | 76.3 | Confident | 77.3 | Confident | 138 Ų | 138 | 58.4 Ų | 58.4 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -85.3 | -13.9 | 174.4 | -41.9 | 157.6 | -169.2 | 168 | 0 | 111.1 | E1366 E1369 | K1323-E1366 VanDerWaalsContact CA-OE1 3.3Å; K1323-E1366 WeakPolarHBondContact CA-OE1 3.34Å; K1323-E1366 WeakPolarHBondContact CB-OE1 3.16Å; K1323-E1366 HydrophobicContact CD-CG 4.38Å; K1323-E1366 WeakPolarHBondContact CD-OE1 3.42Å; K1323-E1366 WeakPolarHBondContact CG-OE1 3.43Å; K1323-E1366 PolarHBondContact N-OE1 3.01Å; K1323-E1366 PolarHBondContact N-OE2 3.4Å; K1323-E1369 IonicContact NZ-OE1 2.76Å; K1323-E1369 PolarHBondContact NZ-OE1 3.15Å; K1323-E1369 IonicContact NZ-OE2 3.32Å; K1323-E1369 PolarHBondContact NZ-OE2 2.67Å |
| 1324 | I | 71 | Confident | 77.9 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -100.1 | -39.1 | -170.5 | -58.7 | 152.4 | 0 | 0 | 0 | 112 | S1322 E1363 E1366 | S1322-I1324 VanDerWaalsContact C-N 3.34Å; S1322-I1324 PolarHBondContact OG-N 3.05Å; S1322-I1324 VanDerWaalsContact OG-N 3.12Å; I1324-E1363 HydrophobicContact CD1-CB 4.17Å; I1324-E1366 HydrophobicContact CD1-CG 4.16Å; I1324-E1366 WeakPolarHBondContact CD1-OE1 3.44Å; I1324-E1366 WeakPolarHBondContact CG1-OE1 3.42Å |
| 1325 | G | 68.5 | Low | 78.5 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -152.2 | 178 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116 | S1322 Y1327 | S1322-G1325 PolarHBondContact OG-N 3.05Å; G1325-Y1327 PolarHBondContact O-N 2.97Å |
| 1326 | P | 79.1 | Confident | 79.2 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -80.6 | 63 | -175.5 | 35.3 | -36.8 | 0 | 0 | 0 | 111.4 | L1450 N1451 | P1326-L1450 VanDerWaalsContact O-CB 3.29Å; P1326-L1450 WeakPolarHBondContact O-CB 3.32Å; P1326-L1450 PolarHBondContact O-N 3.16Å; P1326-N1451 HydrophobicContact CB-CB 4.17Å; P1326-N1451 HydrophobicContact CG-CB 4.3Å |
| 1327 | Y | 82.7 | Confident | 80 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.3 | 176.2 | 6.9 | -87.9 | 0 | 0 | 0 | 111.3 | S1322 G1325 L1448 | S1322-Y1327 PolarHBondContact N-O 2.85Å; S1322-Y1327 VanDerWaalsContact N-O 3.11Å; G1325-Y1327 PolarHBondContact O-N 2.97Å; Y1327-L1448 CarbonylContact C-O 3.49Å; Y1327-L1448 WeakPolarHBondContact CA-O 3.32Å; Y1327-L1448 WeakPolarHBondContact CB-O 3.48Å |
| 1328 | C | 86.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148 | 167.8 | -45.8 | 0 | 0 | 0 | 0 | 109.3 | C1313 F1318 I1320 L1448 L1450 | C1313-C1328 WeakPolarHBondContact CA-SG 3.44Å; C1313-C1328 HydrophobicContact CB-CB 3.94Å; C1313-C1328 WeakPolarHBondContact CB-SG 3.45Å; C1313-C1328 WeakPolarHBondContact SG-CB 3.47Å; C1313-C1328 CovalentContact SG-SG 2.03Å; C1313-C1328 PolarHBondContact SG-SG 2.8Å; F1318-C1328 HydrophobicContact CB-CB 3.78Å; I1320-C1328 CarbonylContact O-C 3.58Å; I1320-C1328 WeakPolarHBondContact O-CA 3.48Å; C1328-L1448 PolarHBondContact N-O 2.92Å; C1328-L1448 PolarHBondContact O-N 2.03Å; C1328-L1450 VanDerWaalsContact SG-CD2 3.51Å |
| 1329 | Y | 88.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150 | 170.8 | -53.5 | -71.2 | 0 | 0 | 0 | 110 | F1318 I1320 V1356 E1363 I1367 I1370 C1446 R1447 | F1318-Y1329 CarbonylContact C-O 3.51Å; F1318-Y1329 WeakPolarHBondContact CA-O 3.29Å; I1320-Y1329 PolarHBondContact N-O 2.75Å; I1320-Y1329 PolarHBondContact O-N 2.86Å; Y1329-V1356 HydrophobicContact CD1-CG2 4.03Å; Y1329-V1356 HydrophobicContact CE1-CG2 3.76Å; Y1329-E1363 WeakPolarHBondContact OH-CG 3.47Å; Y1329-E1363 PolarHBondContact OH-OE1 3.45Å; Y1329-I1367 HydrophobicContact CD1-CD1 3.66Å; Y1329-I1367 HydrophobicContact CD2-CD1 4.17Å; Y1329-I1367 HydrophobicContact CE1-CD1 3.64Å; Y1329-I1367 HydrophobicContact CE2-CD1 4.15Å; Y1329-I1367 HydrophobicContact CG-CD1 3.94Å; Y1329-I1370 HydrophobicContact CD2-CD1 3.84Å; Y1329-I1370 HydrophobicContact CG-CD1 3.89Å; Y1329-C1446 WeakPolarHBondContact CA-O 3.35Å; Y1329-R1447 HydrophobicContact CD1-CB 3.97Å; Y1329-R1447 HydrophobicContact CD1-CG 4.2Å; Y1329-R1447 HydrophobicContact CE1-CB 4.07Å; Y1329-R1447 HydrophobicContact CE1-CG 3.92Å |
| 1330 | S | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -67.5 | 165.8 | 165.7 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | S1317 C1446 | S1317-S1330 WeakPolarHBondContact O-CA 3.49Å; S1317-S1330 WeakPolarHBondContact O-CB 3.03Å; S1330-C1446 PolarHBondContact N-O 2.82Å; S1330-C1446 PolarHBondContact OG-N 3.48Å | ||
| 1331 | E | 83 | Confident | 80.4 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | trans | -67.6 | 170.2 | 157.1 | -59.8 | -173 | 165.9 | 0 | 0 | 109.7 | P1319 I1320 L1333 | P1319-E1331 HydrophobicContact CG-CG 3.63Å; I1320-E1331 HydrophobicContact CD1-CG 4.41Å; E1331-L1333 PolarHBondContact O-N 3.18Å; E1331-L1333 VanDerWaalsContact O-N 3.16Å | ||
| 1332 | L | 83.1 | Confident | 80.5 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | -67.8 | 110.9 | 177 | -174.2 | 67.3 | 0 | 0 | 0 | 109.9 | N1334 N1374 T1381 I1445 | L1332-N1334 PolarHBondContact O-ND2 3.37Å; L1332-N1374 HydrophobicContact CD2-CB 4.31Å; L1332-T1381 HydrophobicContact CD1-CG2 3.57Å; L1332-I1445 HydrophobicContact CD1-CD1 3.97Å; L1332-I1445 HydrophobicContact CD1-CG1 3.77Å | ||
| 1333 | L | 83.4 | Confident | 80.8 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 127.3 | 179 | -60.8 | 170 | 0 | 0 | 0 | 108.6 | E1331 M1349 S1443 F1444 | E1331-L1333 PolarHBondContact O-N 3.18Å; E1331-L1333 VanDerWaalsContact O-N 3.16Å; L1333-M1349 HydrophobicContact CD1-CE 3.6Å; L1333-M1349 HydrophobicContact CD1-SD 4.05Å; L1333-S1443 CarbonylContact O-C 3.57Å; L1333-S1443 WeakPolarHBondContact O-CA 3.42Å; L1333-S1443 WeakPolarHBondContact O-CB 3.03Å; L1333-F1444 HydrophobicContact CB-CD1 3.91Å; L1333-F1444 HydrophobicContact CB-CD2 4.27Å; L1333-F1444 HydrophobicContact CB-CE1 3.59Å; L1333-F1444 HydrophobicContact CB-CE2 4.01Å; L1333-F1444 HydrophobicContact CB-CG 4.22Å; L1333-F1444 HydrophobicContact CB-CZ 3.65Å; L1333-F1444 HydrophobicContact CD1-CD2 4.04Å; L1333-F1444 HydrophobicContact CD1-CE2 3.46Å; L1333-F1444 VanDerWaalsContact CD1-CE2 3.46Å; L1333-F1444 HydrophobicContact CD1-CZ 3.73Å; L1333-F1444 HydrophobicContact CG-CE2 4.37Å; L1333-F1444 HydrophobicContact CG-CZ 4.32Å; L1333-F1444 PolarHBondContact N-O 2.62Å; L1333-F1444 PolarHBondContact O-N 2.56Å |
| 1334 | N | 75.6 | Confident | 81 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | trans | -114.7 | 56.7 | -169 | -61.8 | -93 | 0 | 0 | 0 | 111.8 | L1332 R1379 L1442 | L1332-N1334 PolarHBondContact O-ND2 3.37Å; N1334-R1379 PolarHBondContact OD1-NH1 3.43Å; N1334-L1442 CarbonylContact C-O 3.52Å; N1334-L1442 WeakPolarHBondContact CA-O 3Å | ||
| 1335 | D | 68.8 | Low | 81.6 | Confident | 89 Ų | 89 | 40.6 Ų | 40.6 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | trans | -105.5 | 136.6 | 170.9 | -58.8 | -69.4 | 0 | 0 | 0 | 110.5 | I1337 F1444 | D1335-I1337 HydrophobicContact CB-CD1 4.47Å; D1335-I1337 HydrophobicContact CB-CG2 4.09Å; D1335-I1337 PolarHBondContact O-N 3.17Å; D1335-F1444 HydrophobicContact CB-CE1 4.17Å | ||
| 1336 | A | 76.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 39.7 Ų | 39.7 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | trans | -82.3 | 74.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1441 | A1336-S1441 WeakPolarHBondContact CA-O 3.5Š| ||
| 1337 | I | 82.2 | Confident | 82.8 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 17% | 0.169 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 158.3 | -168.5 | 63.2 | -179.9 | 0 | 0 | 0 | 113.8 | D1335 N1341 A1342 I1345 W1382 P1440 S1441 F1444 | D1335-I1337 HydrophobicContact CB-CD1 4.47Å; D1335-I1337 HydrophobicContact CB-CG2 4.09Å; D1335-I1337 PolarHBondContact O-N 3.17Å; I1337-N1341 HydrophobicContact CB-CB 4.38Å; I1337-A1342 HydrophobicContact CD1-CB 3.75Å; I1337-A1342 HydrophobicContact CG1-CB 4.07Å; I1337-I1345 HydrophobicContact CD1-CD1 3.63Å; I1337-W1382 PolarHBondContact O-NE1 3.12Å; I1337-P1440 VanDerWaalsContact O-CA 3.32Å; I1337-P1440 WeakPolarHBondContact O-CA 3.42Å; I1337-S1441 PolarHBondContact N-O 3.17Å; I1337-S1441 PolarHBondContact O-N 3.36Å; I1337-F1444 HydrophobicContact CD1-CD1 4.04Å; I1337-F1444 HydrophobicContact CD1-CE1 3.56Å; I1337-F1444 HydrophobicContact CD1-CZ 3.89Å; I1337-F1444 HydrophobicContact CG1-CD1 4.37Å; I1337-F1444 HydrophobicContact CG1-CE1 4.26Å |
| 1338 | D | 81.9 | Confident | 82.5 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | trans | -72.3 | 166.5 | 171.5 | 70.4 | 78.7 | 0 | 0 | 0 | 112.5 | S1340 N1341 A1342 | D1338-S1340 VanDerWaalsContact C-N 3.33Å; D1338-S1340 PolarHBondContact O-N 2.55Å; D1338-S1340 WeakPolarHBondContact OD1-CA 3.4Å; D1338-S1340 WeakPolarHBondContact OD1-CB 3.4Å; D1338-S1340 PolarHBondContact OD1-N 3.35Å; D1338-S1340 PolarHBondContact OD1-OG 3.16Å; D1338-N1341 PolarHBondContact O-N 3.19Å; D1338-N1341 PolarHBondContact OD1-N 3.31Å; D1338-N1341 PolarHBondContact OD2-ND2 3.41Å; D1338-A1342 PolarHBondContact O-N 2.98Å | ||
| 1339 | W | 86.9 | Confident | 82.2 | Confident | 23 Ų | 23 | 49 Ų | 49 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -35.9 | -174 | -173.4 | 93.6 | 0 | 0 | 0 | 113.2 | A1342 E1343 L1355 W1382 I1383 Y1386 C1420 C1437 | W1339-A1342 PolarHBondContact O-N 3.18Å; W1339-E1343 PolarHBondContact O-N 2.95Å; W1339-L1355 HydrophobicContact CD2-CD1 4.13Å; W1339-L1355 HydrophobicContact CG-CD1 4.13Å; W1339-L1355 HydrophobicContact CZ2-CD1 4.29Å; W1339-W1382 HydrophobicContact CB-CD2 4.28Å; W1339-W1382 HydrophobicContact CB-CH2 4.4Å; W1339-W1382 HydrophobicContact CB-CZ2 4.08Å; W1339-W1382 AromaticContact CD1-CD2 3.96Å; W1339-W1382 AromaticContact CD1-CE3 3.76Å; W1339-I1383 PolarHBondContact NE1-O 2.73Å; W1339-Y1386 AromaticContact CH2-CD1 3.52Å; W1339-Y1386 HydrophobicContact CH2-CD1 3.52Å; W1339-Y1386 HydrophobicContact CH2-CD2 4.22Å; W1339-Y1386 HydrophobicContact CH2-CE1 4.06Å; W1339-Y1386 AromaticContact CH2-CG 3.63Å; W1339-Y1386 HydrophobicContact CH2-CG 3.63Å; W1339-Y1386 AromaticContact CZ2-CD1 3.66Å; W1339-Y1386 HydrophobicContact CZ2-CD1 3.66Å; W1339-Y1386 AromaticContact CZ2-CG 3.84Å; W1339-Y1386 HydrophobicContact CZ2-CG 3.84Å; W1339-Y1386 HydrophobicContact CZ3-CG 4.29Å; W1339-C1420 HydrophobicContact CB-CB 4.09Å; W1339-C1420 HydrophobicContact CD2-CB 4.37Å; W1339-C1420 VanDerWaalsContact CD2-SG 3.52Å; W1339-C1420 HydrophobicContact CG-CB 3.78Å; W1339-C1437 HydrophobicContact CB-CB 4.48Å; W1339-C1437 PolarHBondContact N-O 3.05Å |
| 1340 | S | 79.4 | Confident | 81.7 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | -177.7 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | D1338 S1344 | D1338-S1340 VanDerWaalsContact C-N 3.33Å; D1338-S1340 PolarHBondContact O-N 2.55Å; D1338-S1340 WeakPolarHBondContact OD1-CA 3.4Å; D1338-S1340 WeakPolarHBondContact OD1-CB 3.4Å; D1338-S1340 PolarHBondContact OD1-N 3.35Å; D1338-S1340 PolarHBondContact OD1-OG 3.16Å; S1340-S1344 WeakPolarHBondContact O-CB 3.29Å; S1340-S1344 PolarHBondContact O-N 3.02Å; S1340-S1344 VanDerWaalsContact O-N 3.09Å; S1340-S1344 PolarHBondContact O-OG 3.48Å |
| 1341 | N | 82.9 | Confident | 81 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 172.8 | -81.4 | -61.2 | 0 | 0 | 0 | 111.7 | I1337 D1338 S1344 I1345 | I1337-N1341 HydrophobicContact CB-CB 4.38Å; D1338-N1341 PolarHBondContact O-N 3.19Å; D1338-N1341 PolarHBondContact OD1-N 3.31Å; D1338-N1341 PolarHBondContact OD2-ND2 3.41Å; N1341-S1344 PolarHBondContact O-N 2.91Å; N1341-I1345 WeakPolarHBondContact O-CG1 3.06Å; N1341-I1345 PolarHBondContact O-N 3.27Å |
| 1342 | A | 85.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1337 D1338 W1339 S1344 I1345 C1346 L1355 F1444 | I1337-A1342 HydrophobicContact CD1-CB 3.75Å; I1337-A1342 HydrophobicContact CG1-CB 4.07Å; D1338-A1342 PolarHBondContact O-N 2.98Å; W1339-A1342 PolarHBondContact O-N 3.18Å; A1342-S1344 VanDerWaalsContact C-N 3.3Å; A1342-S1344 PolarHBondContact O-N 3.31Å; A1342-I1345 PolarHBondContact O-N 3.09Å; A1342-C1346 PolarHBondContact O-N 2.81Å; A1342-C1346 PolarHBondContact O-SG 2.85Å; A1342-C1346 VanDerWaalsContact O-SG 3.35Å; A1342-L1355 HydrophobicContact CB-CD1 4.14Å; A1342-L1355 HydrophobicContact CB-CD2 3.99Å; A1342-L1355 HydrophobicContact CB-CG 4.45Å; A1342-F1444 HydrophobicContact CB-CB 4.26Å; A1342-F1444 HydrophobicContact CB-CD1 4.43Å; A1342-F1444 HydrophobicContact CB-CD2 4.02Å; A1342-F1444 HydrophobicContact CB-CE2 4.45Å; A1342-F1444 HydrophobicContact CB-CG 4.01Å |
| 1343 | E | 88 | Confident | 80.8 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 172 | 173.1 | 65.5 | -170.4 | 0 | 0 | 111.7 | W1339 C1346 R1347 H1354 L1355 S1395 | W1339-E1343 PolarHBondContact O-N 2.95Å; E1343-C1346 PolarHBondContact O-N 3.26Å; E1343-R1347 WeakPolarHBondContact O-CG 3.18Å; E1343-R1347 PolarHBondContact O-N 3.45Å; E1343-R1347 VanDerWaalsContact O-N 3.09Å; E1343-R1347 IonicContact OE1-CZ 3.63Å; E1343-R1347 IonicContact OE1-NE 3.77Å; E1343-R1347 PolarHBondContact OE1-NE 2.84Å; E1343-R1347 IonicContact OE1-NH2 3.65Å; E1343-R1347 PolarHBondContact OE1-NH2 2.84Å; E1343-H1354 IonicContact OE1-CE1 3.52Å; E1343-H1354 IonicContact OE1-CG 3.95Å; E1343-H1354 IonicContact OE1-ND1 3.95Å; E1343-H1354 PolarHBondContact OE1-ND1 2.79Å; E1343-H1354 IonicContact OE2-ND1 3.96Å; E1343-L1355 HydrophobicContact CB-CD1 3.95Å; E1343-L1355 HydrophobicContact CB-CG 4.23Å; E1343-L1355 PolarHBondContact OE2-N 2.82Å; E1343-S1395 VanDerWaalsContact CD-CB 3.45Å; E1343-S1395 VanDerWaalsContact OE2-CB 3.28Å; E1343-S1395 WeakPolarHBondContact OE2-CB 3.32Å; E1343-S1395 PolarHBondContact OE2-OG 3.4Å |
| 1344 | S | 80.5 | Confident | 81.2 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 24% | 0.238 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | S1340 N1341 A1342 R1347 N1348 | S1340-S1344 WeakPolarHBondContact O-CB 3.29Å; S1340-S1344 PolarHBondContact O-N 3.02Å; S1340-S1344 VanDerWaalsContact O-N 3.09Å; S1340-S1344 PolarHBondContact O-OG 3.48Å; N1341-S1344 PolarHBondContact O-N 2.91Å; A1342-S1344 VanDerWaalsContact C-N 3.3Å; A1342-S1344 PolarHBondContact O-N 3.31Å; S1344-R1347 PolarHBondContact O-N 3.42Å; S1344-N1348 WeakPolarHBondContact O-CB 3.06Å; S1344-N1348 PolarHBondContact O-N 2.82Å; S1344-N1348 PolarHBondContact O-ND2 3.11Å |
| 1345 | I | 83.7 | Confident | 82.1 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 174.6 | -71 | 169.6 | 0 | 0 | 0 | 111.1 | I1337 N1341 A1342 R1347 N1348 M1349 F1444 | I1337-I1345 HydrophobicContact CD1-CD1 3.63Å; N1341-I1345 WeakPolarHBondContact O-CG1 3.06Å; N1341-I1345 PolarHBondContact O-N 3.27Å; A1342-I1345 PolarHBondContact O-N 3.09Å; I1345-R1347 PolarHBondContact O-N 3.48Å; I1345-N1348 PolarHBondContact O-N 3.07Å; I1345-M1349 HydrophobicContact CG2-CE 4.1Å; I1345-M1349 HydrophobicContact CG2-CG 4.5Å; I1345-M1349 HydrophobicContact CG2-SD 4.45Å; I1345-M1349 WeakPolarHBondContact O-CG 3.49Å; I1345-M1349 PolarHBondContact O-N 3.49Å; I1345-F1444 HydrophobicContact CB-CE2 4.21Å; I1345-F1444 HydrophobicContact CB-CZ 4.23Å; I1345-F1444 HydrophobicContact CD1-CZ 4.28Å; I1345-F1444 HydrophobicContact CG2-CE2 3.91Å; I1345-F1444 HydrophobicContact CG2-CZ 3.82Å |
| 1346 | C | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.7 | -50.3 | 172.9 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | A1342 E1343 N1348 M1349 H1350 A1353 H1354 L1355 C1446 | A1342-C1346 PolarHBondContact O-N 2.81Å; A1342-C1346 PolarHBondContact O-SG 2.85Å; A1342-C1346 VanDerWaalsContact O-SG 3.35Å; E1343-C1346 PolarHBondContact O-N 3.26Å; C1346-N1348 VanDerWaalsContact C-N 3.32Å; C1346-N1348 PolarHBondContact O-N 2.82Å; C1346-M1349 PolarHBondContact O-N 2.9Å; C1346-H1350 PolarHBondContact O-N 3.04Å; C1346-A1353 CarbonylContact C-O 3.57Å; C1346-A1353 VanDerWaalsContact C-O 3.28Å; C1346-H1354 VanDerWaalsContact CB-C 3.48Å; C1346-H1354 VanDerWaalsContact SG-C 3.52Å; C1346-L1355 PolarHBondContact SG-N 2.97Å; C1346-L1355 VanDerWaalsContact SG-N 3.42Å; C1346-C1446 WeakPolarHBondContact CA-SG 3.45Å; C1346-C1446 HydrophobicContact CB-CB 3.75Å; C1346-C1446 WeakPolarHBondContact CB-SG 3.49Å; C1346-C1446 WeakPolarHBondContact SG-CB 3.35Å; C1346-C1446 CovalentContact SG-SG 2.04Å; C1346-C1446 PolarHBondContact SG-SG 3.15Å |
| 1347 | R | 83.4 | Confident | 83.8 | Confident | 109 Ų | 109 | 41 Ų | 41 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -33 | 178.5 | -66.6 | -179.9 | -170.6 | -151 | -0.6 | 113.4 | E1343 S1344 I1345 H1350 A1353 | E1343-R1347 WeakPolarHBondContact O-CG 3.18Å; E1343-R1347 PolarHBondContact O-N 3.45Å; E1343-R1347 VanDerWaalsContact O-N 3.09Å; E1343-R1347 IonicContact OE1-CZ 3.63Å; E1343-R1347 IonicContact OE1-NE 3.77Å; E1343-R1347 PolarHBondContact OE1-NE 2.84Å; E1343-R1347 IonicContact OE1-NH2 3.65Å; E1343-R1347 PolarHBondContact OE1-NH2 2.84Å; S1344-R1347 PolarHBondContact O-N 3.42Å; I1345-R1347 PolarHBondContact O-N 3.48Å; R1347-H1350 CarbonylContact O-C 3.46Å; R1347-H1350 VanDerWaalsContact O-C 3.23Å; R1347-H1350 VanDerWaalsContact O-O 3.13Å; R1347-A1353 WeakPolarHBondContact CA-O 3.43Å; R1347-A1353 WeakPolarHBondContact CG-O 3.33Å; R1347-A1353 PolarHBondContact N-O 2.83Å |
| 1348 | N | 77.1 | Confident | 84 | Confident | 141 Ų | 141 | 39.5 Ų | 39.5 | 75% | 0.754 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -72.8 | -28.6 | 176.2 | -74.8 | -24.8 | 0 | 0 | 0 | 113 | S1344 I1345 C1346 | S1344-N1348 WeakPolarHBondContact O-CB 3.06Å; S1344-N1348 PolarHBondContact O-N 2.82Å; S1344-N1348 PolarHBondContact O-ND2 3.11Å; I1345-N1348 PolarHBondContact O-N 3.07Å; C1346-N1348 VanDerWaalsContact C-N 3.32Å; C1346-N1348 PolarHBondContact O-N 2.82Å |
| 1349 | M | 81.5 | Confident | 84.2 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 26% | 0.256 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.4 | -37.1 | 174.3 | -73.1 | -175.3 | -62.9 | 0 | 0 | 112.4 | F1318 L1333 I1345 C1346 C1446 | F1318-M1349 HydrophobicContact CE2-CB 4.18Å; F1318-M1349 HydrophobicContact CZ-CB 4.19Å; F1318-M1349 HydrophobicContact CZ-CE 4.41Å; L1333-M1349 HydrophobicContact CD1-CE 3.6Å; L1333-M1349 HydrophobicContact CD1-SD 4.05Å; I1345-M1349 HydrophobicContact CG2-CE 4.1Å; I1345-M1349 HydrophobicContact CG2-CG 4.5Å; I1345-M1349 HydrophobicContact CG2-SD 4.45Å; I1345-M1349 WeakPolarHBondContact O-CG 3.49Å; I1345-M1349 PolarHBondContact O-N 3.49Å; C1346-M1349 PolarHBondContact O-N 2.9Å; M1349-C1446 HydrophobicContact CE-CB 4.05Å; M1349-C1446 WeakPolarHBondContact CE-SG 3.35Å |
| 1350 | H | 77.5 | Confident | 83.9 | Confident | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | trans | -157.5 | 138.2 | 168.4 | -174.4 | -83 | 0 | 0 | 0 | 109.9 | E1315 F1318 C1346 R1347 N1352 A1353 L1448 | E1315-H1350 IonicContact OE2-CD2 2.72Å; F1318-H1350 HydrophobicContact CE2-CB 3.95Å; F1318-H1350 HydrophobicContact CZ-CB 4.48Å; C1346-H1350 PolarHBondContact O-N 3.04Å; R1347-H1350 CarbonylContact O-C 3.46Å; R1347-H1350 VanDerWaalsContact O-C 3.23Å; R1347-H1350 VanDerWaalsContact O-O 3.13Å; H1350-N1352 PolarHBondContact ND1-N 3.37Å; H1350-N1352 VanDerWaalsContact ND1-N 3.14Å; H1350-N1352 PolarHBondContact O-N 3.03Å; H1350-N1352 VanDerWaalsContact O-N 3.07Å; H1350-A1353 HydrophobicContact CB-CB 4Å; H1350-A1353 WeakPolarHBondContact O-CB 3.47Å; H1350-A1353 PolarHBondContact O-N 2.95Å; H1350-L1448 HydrophobicContact CB-CD1 4.27Å; H1350-L1448 WeakPolarHBondContact ND1-CD1 3.34Å | ||
| 1351 | A | 72.1 | Confident | 83.9 | Confident | 81 Ų | 81 | 44.4 Ų | 44.4 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1352 | N | 77.2 | Confident | 83.7 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 17.2 | 175 | -56.8 | -6.7 | 0 | 0 | 0 | 113.5 | H1350 L1448 | H1350-N1352 PolarHBondContact ND1-N 3.37Å; H1350-N1352 VanDerWaalsContact ND1-N 3.14Å; H1350-N1352 PolarHBondContact O-N 3.03Å; H1350-N1352 VanDerWaalsContact O-N 3.07Å; N1352-L1448 HydrophobicContact CB-CD1 4.15Å |
| 1353 | A | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1318 C1346 R1347 H1350 R1447 L1448 | F1318-A1353 HydrophobicContact CE1-CB 3.97Å; F1318-A1353 HydrophobicContact CE2-CB 4.28Å; F1318-A1353 HydrophobicContact CZ-CB 3.46Å; F1318-A1353 VanDerWaalsContact CZ-CB 3.46Å; C1346-A1353 CarbonylContact C-O 3.57Å; C1346-A1353 VanDerWaalsContact C-O 3.28Å; R1347-A1353 WeakPolarHBondContact CA-O 3.43Å; R1347-A1353 WeakPolarHBondContact CG-O 3.33Å; R1347-A1353 PolarHBondContact N-O 2.83Å; H1350-A1353 HydrophobicContact CB-CB 4Å; H1350-A1353 WeakPolarHBondContact O-CB 3.47Å; H1350-A1353 PolarHBondContact O-N 2.95Å; A1353-R1447 VanDerWaalsContact CA-O 3.29Å; A1353-R1447 WeakPolarHBondContact CA-O 3.22Å; A1353-L1448 HydrophobicContact CB-CB 4.28Å; A1353-L1448 HydrophobicContact CB-CD1 4.35Å |
| 1354 | H | 91.8 | Very high | 83.6 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 15% | 0.148 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 168.3 | -175.5 | -66.1 | -82.5 | 0 | 0 | 0 | 109.4 | E1343 C1346 D1396 C1446 R1447 | E1343-H1354 IonicContact OE1-CE1 3.52Å; E1343-H1354 IonicContact OE1-CG 3.95Å; E1343-H1354 IonicContact OE1-ND1 3.95Å; E1343-H1354 PolarHBondContact OE1-ND1 2.79Å; E1343-H1354 IonicContact OE2-ND1 3.96Å; C1346-H1354 VanDerWaalsContact CB-C 3.48Å; C1346-H1354 VanDerWaalsContact SG-C 3.52Å; H1354-D1396 HydrophobicContact CB-CB 3.84Å; H1354-C1446 CarbonylContact O-C 3.54Å; H1354-C1446 WeakPolarHBondContact O-CA 3.45Å; H1354-R1447 PolarHBondContact N-O 3.43Å; H1354-R1447 VanDerWaalsContact N-O 3.1Å; H1354-R1447 PolarHBondContact O-N 3.17Å |
| 1355 | L | 92.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 142.2 | 162.6 | -76.8 | 172.5 | 0 | 0 | 0 | 109.9 | W1339 A1342 E1343 C1346 S1357 W1382 G1384 F1444 | W1339-L1355 HydrophobicContact CD2-CD1 4.13Å; W1339-L1355 HydrophobicContact CG-CD1 4.13Å; W1339-L1355 HydrophobicContact CZ2-CD1 4.29Å; A1342-L1355 HydrophobicContact CB-CD1 4.14Å; A1342-L1355 HydrophobicContact CB-CD2 3.99Å; A1342-L1355 HydrophobicContact CB-CG 4.45Å; E1343-L1355 HydrophobicContact CB-CD1 3.95Å; E1343-L1355 HydrophobicContact CB-CG 4.23Å; E1343-L1355 PolarHBondContact OE2-N 2.82Å; C1346-L1355 PolarHBondContact SG-N 2.97Å; C1346-L1355 VanDerWaalsContact SG-N 3.42Å; L1355-S1357 PolarHBondContact O-N 2.91Å; L1355-W1382 HydrophobicContact CD2-CB 4.25Å; L1355-G1384 VanDerWaalsContact CB-CA 3.47Å; L1355-F1444 HydrophobicContact CD2-CB 3.86Å; L1355-F1444 HydrophobicContact CD2-CD2 3.99Å; L1355-F1444 HydrophobicContact CD2-CG 4.38Å |
| 1356 | V | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 127.1 | -168.2 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | Y1329 I1358 I1367 I1383 G1384 W1394 I1445 R1447 | Y1329-V1356 HydrophobicContact CD1-CG2 4.03Å; Y1329-V1356 HydrophobicContact CE1-CG2 3.76Å; V1356-I1358 HydrophobicContact CG2-CG1 4.26Å; V1356-I1367 HydrophobicContact CG2-CD1 3.88Å; V1356-I1367 HydrophobicContact CG2-CG1 4.18Å; V1356-I1383 HydrophobicContact CG1-CB 4.17Å; V1356-I1383 HydrophobicContact CG1-CG2 3.64Å; V1356-G1384 PolarHBondContact O-N 2.96Å; V1356-W1394 WeakPolarHBondContact O-CZ3 2.99Å; V1356-I1445 HydrophobicContact CB-CG2 4.3Å; V1356-I1445 HydrophobicContact CG1-CB 4.06Å; V1356-I1445 HydrophobicContact CG1-CG2 4.15Å; V1356-I1445 PolarHBondContact N-O 2.77Å; V1356-R1447 HydrophobicContact CB-CB 4.12Å; V1356-R1447 HydrophobicContact CG2-CB 4.06Å |
| 1357 | S | 89.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -91.5 | 144.4 | 167.9 | 50 | 0 | 0 | 0 | 0 | 110.9 | L1355 W1394 D1396 R1447 | L1355-S1357 PolarHBondContact O-N 2.91Å; S1357-W1394 VanDerWaalsContact CA-CE3 3.47Å; S1357-D1396 WeakPolarHBondContact CB-OD2 3.42Å; S1357-D1396 PolarHBondContact OG-OD2 2.79Å; S1357-R1447 PolarHBondContact O-NH1 3.4Å; S1357-R1447 PolarHBondContact OG-NH1 3.46Å; S1357-R1447 PolarHBondContact OG-NH2 3.35Å |
| 1358 | I | 88.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -131.8 | 111.2 | -171.9 | -53.9 | 177 | 0 | 0 | 0 | 110.8 | V1356 E1363 L1364 I1367 I1383 W1394 Y1402 L1423 W1432 | V1356-I1358 HydrophobicContact CG2-CG1 4.26Å; I1358-E1363 WeakPolarHBondContact CA-OE2 3.32Å; I1358-E1363 HydrophobicContact CG2-CB 4.27Å; I1358-E1363 HydrophobicContact CG2-CG 4.19Å; I1358-L1364 HydrophobicContact CD1-CD1 4.12Å; I1358-L1364 HydrophobicContact CG2-CB 3.98Å; I1358-I1367 HydrophobicContact CD1-CG1 4.45Å; I1358-I1383 HydrophobicContact CD1-CD1 4.47Å; I1358-I1383 HydrophobicContact CD1-CG2 4.48Å; I1358-W1394 HydrophobicContact CB-CH2 3.89Å; I1358-W1394 HydrophobicContact CB-CZ2 4.19Å; I1358-W1394 HydrophobicContact CG1-CH2 4.18Å; I1358-W1394 VanDerWaalsContact N-CH2 3.34Å; I1358-W1394 VanDerWaalsContact O-CZ2 3.31Å; I1358-W1394 WeakPolarHBondContact O-CZ2 3.15Å; I1358-Y1402 HydrophobicContact CG2-CD1 4.19Å; I1358-Y1402 HydrophobicContact CG2-CE1 4.31Å; I1358-L1423 HydrophobicContact CD1-CD1 4.46Å; I1358-L1423 HydrophobicContact CD1-CD2 4.41Å; I1358-W1432 HydrophobicContact CB-CH2 4Å; I1358-W1432 HydrophobicContact CB-CZ2 3.86Å; I1358-W1432 HydrophobicContact CD1-CZ2 3.85Å; I1358-W1432 HydrophobicContact CG1-CZ2 4.4Å; I1358-W1432 HydrophobicContact CG2-CH2 4.34Å; I1358-W1432 HydrophobicContact CG2-CZ2 3.9Å | ||
| 1359 | H | 85.7 | Confident | 83.6 | Confident | 37 Ų | 37 | 36.3 Ų | 36.3 | 17% | 0.171 | 19% | 0.193 | C | C | . | . | trans | -108.6 | -1 | -173 | -57.3 | -62.7 | 0 | 0 | 0 | 114.8 | E1363 W1394 T1398 D1399 N1401 Y1402 R1447 | H1359-E1363 IonicContact CD2-OE2 3.33Å; H1359-E1363 PolarHBondContact N-OE2 3.01Å; H1359-W1394 AromaticContact CE1-CD1 3.94Å; H1359-W1394 AromaticContact CE1-NE1 3.89Å; H1359-T1398 VanDerWaalsContact CE1-CB 3.47Å; H1359-T1398 WeakPolarHBondContact CE1-CB 3.46Å; H1359-T1398 PolarHBondContact CE1-OG1 3.47Å; H1359-T1398 PolarHBondContact NE2-OG1 2.85Å; H1359-D1399 PolarHBondContact ND1-O 2.85Å; H1359-N1401 WeakPolarHBondContact CA-OD1 3.34Å; H1359-N1401 WeakPolarHBondContact CB-OD1 3.26Å; H1359-N1401 PolarHBondContact ND1-OD1 2.84Å; H1359-Y1402 VanDerWaalsContact C-CB 3.44Å; H1359-Y1402 WeakPolarHBondContact O-CB 3.4Å; H1359-R1447 PolarHBondContact CD2-NH1 3.25Å; H1359-R1447 VanDerWaalsContact CD2-NH1 3.25Å; H1359-R1447 PolarHBondContact NE2-NH1 3.35Å | ||
| 1360 | S | 80.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 34 Ų | 34 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -155.9 | 156.3 | -179.5 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | T1362 E1363 L1364 | S1360-T1362 WeakPolarHBondContact CB-OG1 3.39Å; S1360-T1362 PolarHBondContact O-N 3.01Å; S1360-T1362 PolarHBondContact OG-OG1 2.86Å; S1360-E1363 PolarHBondContact O-N 2.78Å; S1360-E1363 VanDerWaalsContact O-N 3.13Å; S1360-E1363 VanDerWaalsContact OG-CB 3.31Å; S1360-E1363 WeakPolarHBondContact OG-CB 3.38Å; S1360-E1363 PolarHBondContact OG-N 3.38Å; S1360-L1364 PolarHBondContact O-N 2.78Å |
| 1361 | Y | 78.3 | Confident | 83.9 | Confident | 144 Ų | 144 | 31.6 Ų | 31.6 | 57% | 0.565 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -59.1 | -33.6 | 169.3 | 175.9 | -114.8 | 0 | 0 | 0 | 112.1 | L1364 N1365 Y1402 | Y1361-L1364 PolarHBondContact O-N 2.88Å; Y1361-N1365 VanDerWaalsContact CE1-ND2 3.34Å; Y1361-N1365 WeakPolarHBondContact CE1-ND2 3.26Å; Y1361-N1365 VanDerWaalsContact CE2-OD1 3.29Å; Y1361-N1365 WeakPolarHBondContact CE2-OD1 3.46Å; Y1361-N1365 PolarHBondContact O-N 3.08Å; Y1361-N1365 PolarHBondContact O-OD1 2.82Å; Y1361-N1365 PolarHBondContact OH-ND2 2.82Å; Y1361-N1365 PolarHBondContact OH-OD1 3.02Å; Y1361-Y1402 WeakPolarHBondContact CA-OH 3.37Å; Y1361-Y1402 WeakPolarHBondContact CB-OH 3.24Å |
| 1362 | T | 79.1 | Confident | 84 | Confident | 78 Ų | 78 | 31.1 Ų | 31.1 | 48% | 0.479 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 173.9 | 36.9 | 0 | 0 | 0 | 0 | 112.6 | S1360 N1365 E1366 | S1360-T1362 WeakPolarHBondContact CB-OG1 3.39Å; S1360-T1362 PolarHBondContact O-N 3.01Å; S1360-T1362 PolarHBondContact OG-OG1 2.86Å; T1362-N1365 PolarHBondContact O-N 2.79Å; T1362-E1366 PolarHBondContact O-N 3.33Å; T1362-E1366 VanDerWaalsContact O-N 3.12Å |
| 1363 | E | 86.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.4 | -41.3 | 174.5 | -179.5 | 165.8 | -147 | 0 | 0 | 111 | I1324 Y1329 I1358 H1359 S1360 N1365 E1366 I1367 R1447 | I1324-E1363 HydrophobicContact CD1-CB 4.17Å; Y1329-E1363 WeakPolarHBondContact OH-CG 3.47Å; Y1329-E1363 PolarHBondContact OH-OE1 3.45Å; I1358-E1363 WeakPolarHBondContact CA-OE2 3.32Å; I1358-E1363 HydrophobicContact CG2-CB 4.27Å; I1358-E1363 HydrophobicContact CG2-CG 4.19Å; H1359-E1363 IonicContact CD2-OE2 3.33Å; H1359-E1363 PolarHBondContact N-OE2 3.01Å; S1360-E1363 PolarHBondContact O-N 2.78Å; S1360-E1363 VanDerWaalsContact O-N 3.13Å; S1360-E1363 VanDerWaalsContact OG-CB 3.31Å; S1360-E1363 WeakPolarHBondContact OG-CB 3.38Å; S1360-E1363 PolarHBondContact OG-N 3.38Å; E1363-N1365 VanDerWaalsContact C-N 3.26Å; E1363-N1365 PolarHBondContact O-N 2.96Å; E1363-E1366 WeakPolarHBondContact O-CB 3.31Å; E1363-E1366 PolarHBondContact O-N 3.07Å; E1363-I1367 WeakPolarHBondContact O-CG1 3.21Å; E1363-I1367 PolarHBondContact O-N 3.39Å; E1363-R1447 IonicContact OE1-CZ 2.68Å; E1363-R1447 IonicContact OE1-NH1 3.18Å; E1363-R1447 PolarHBondContact OE1-NH1 3.16Å; E1363-R1447 IonicContact OE2-NH1 2.88Å |
| 1364 | L | 85 | Confident | 82.7 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.1 | -41.9 | 172.4 | -178 | 58.9 | 0 | 0 | 0 | 111.7 | I1358 S1360 Y1361 I1367 T1368 Y1402 P1404 L1423 I1430 W1432 | I1358-L1364 HydrophobicContact CD1-CD1 4.12Å; I1358-L1364 HydrophobicContact CG2-CB 3.98Å; S1360-L1364 PolarHBondContact O-N 2.78Å; Y1361-L1364 PolarHBondContact O-N 2.88Å; L1364-I1367 PolarHBondContact O-N 3.14Å; L1364-T1368 WeakPolarHBondContact O-CB 3.34Å; L1364-T1368 PolarHBondContact O-N 2.91Å; L1364-T1368 PolarHBondContact O-OG1 3.36Å; L1364-Y1402 HydrophobicContact CD2-CE1 4.4Å; L1364-P1404 HydrophobicContact CD2-CB 4.18Å; L1364-P1404 HydrophobicContact CD2-CG 4.35Å; L1364-L1423 HydrophobicContact CD1-CD2 4.28Å; L1364-I1430 HydrophobicContact CD1-CG2 4.49Å; L1364-W1432 HydrophobicContact CD1-CZ2 4.43Å |
| 1365 | N | 80.9 | Confident | 80.7 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67 | -31.9 | 175.8 | -73.9 | -1.8 | 0 | 0 | 0 | 113.1 | Y1361 T1362 E1363 T1368 E1369 | Y1361-N1365 VanDerWaalsContact CE1-ND2 3.34Å; Y1361-N1365 WeakPolarHBondContact CE1-ND2 3.26Å; Y1361-N1365 VanDerWaalsContact CE2-OD1 3.29Å; Y1361-N1365 WeakPolarHBondContact CE2-OD1 3.46Å; Y1361-N1365 PolarHBondContact O-N 3.08Å; Y1361-N1365 PolarHBondContact O-OD1 2.82Å; Y1361-N1365 PolarHBondContact OH-ND2 2.82Å; Y1361-N1365 PolarHBondContact OH-OD1 3.02Å; T1362-N1365 PolarHBondContact O-N 2.79Å; E1363-N1365 VanDerWaalsContact C-N 3.26Å; E1363-N1365 PolarHBondContact O-N 2.96Å; N1365-T1368 WeakPolarHBondContact O-CB 3.23Å; N1365-T1368 PolarHBondContact O-N 2.93Å; N1365-E1369 PolarHBondContact O-N 2.03Å |
| 1366 | E | 85.2 | Confident | 78.3 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 171.6 | -72.1 | -173.4 | 176.3 | 0 | 0 | 111.7 | S1322 K1323 I1324 T1362 E1363 T1368 E1369 I1370 | S1322-E1366 VanDerWaalsContact CA-OE2 3.23Å; S1322-E1366 WeakPolarHBondContact CA-OE2 3.46Å; S1322-E1366 VanDerWaalsContact CB-OE2 3.25Å; S1322-E1366 WeakPolarHBondContact CB-OE2 3.31Å; S1322-E1366 PolarHBondContact OG-OE2 3.2Å; K1323-E1366 VanDerWaalsContact CA-OE1 3.3Å; K1323-E1366 WeakPolarHBondContact CA-OE1 3.34Å; K1323-E1366 WeakPolarHBondContact CB-OE1 3.16Å; K1323-E1366 HydrophobicContact CD-CG 4.38Å; K1323-E1366 WeakPolarHBondContact CD-OE1 3.42Å; K1323-E1366 WeakPolarHBondContact CG-OE1 3.43Å; K1323-E1366 PolarHBondContact N-OE1 3.01Å; K1323-E1366 PolarHBondContact N-OE2 3.4Å; I1324-E1366 HydrophobicContact CD1-CG 4.16Å; I1324-E1366 WeakPolarHBondContact CD1-OE1 3.44Å; I1324-E1366 WeakPolarHBondContact CG1-OE1 3.42Å; T1362-E1366 PolarHBondContact O-N 3.33Å; T1362-E1366 VanDerWaalsContact O-N 3.12Å; E1363-E1366 WeakPolarHBondContact O-CB 3.31Å; E1363-E1366 PolarHBondContact O-N 3.07Å; E1366-T1368 VanDerWaalsContact C-N 3.29Å; E1366-T1368 PolarHBondContact O-N 2.92Å; E1366-E1369 WeakPolarHBondContact O-CB 3.34Å; E1366-E1369 PolarHBondContact O-N 3.41Å; E1366-I1370 WeakPolarHBondContact O-CG1 3.46Å; E1366-I1370 PolarHBondContact O-N 3.15Å; E1366-I1370 VanDerWaalsContact O-N 3.09Å |
| 1367 | I | 86.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 174.8 | -54.3 | -49.1 | 0 | 0 | 0 | 111.3 | Y1329 V1356 I1358 E1363 L1364 I1370 I1371 L1423 I1445 | Y1329-I1367 HydrophobicContact CD1-CD1 3.66Å; Y1329-I1367 HydrophobicContact CD2-CD1 4.17Å; Y1329-I1367 HydrophobicContact CE1-CD1 3.64Å; Y1329-I1367 HydrophobicContact CE2-CD1 4.15Å; Y1329-I1367 HydrophobicContact CG-CD1 3.94Å; V1356-I1367 HydrophobicContact CG2-CD1 3.88Å; V1356-I1367 HydrophobicContact CG2-CG1 4.18Å; I1358-I1367 HydrophobicContact CD1-CG1 4.45Å; E1363-I1367 WeakPolarHBondContact O-CG1 3.21Å; E1363-I1367 PolarHBondContact O-N 3.39Å; L1364-I1367 PolarHBondContact O-N 3.14Å; I1367-I1370 HydrophobicContact CD1-CD1 4.03Å; I1367-I1370 PolarHBondContact O-N 3.2Å; I1367-I1371 HydrophobicContact CG2-CD1 4.07Å; I1367-I1371 WeakPolarHBondContact O-CG1 3.44Å; I1367-I1371 PolarHBondContact O-N 2.03Å; I1367-L1423 HydrophobicContact CB-CD1 4.5Å; I1367-L1423 HydrophobicContact CG2-CD1 3.53Å; I1367-I1445 HydrophobicContact CG2-CD1 3.78Å |
| 1368 | T | 80.3 | Confident | 74.2 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 172.5 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | L1364 N1365 E1366 I1370 I1371 H1372 I1430 | L1364-T1368 WeakPolarHBondContact O-CB 3.34Å; L1364-T1368 PolarHBondContact O-N 2.91Å; L1364-T1368 PolarHBondContact O-OG1 3.36Å; N1365-T1368 WeakPolarHBondContact O-CB 3.23Å; N1365-T1368 PolarHBondContact O-N 2.93Å; E1366-T1368 VanDerWaalsContact C-N 3.29Å; E1366-T1368 PolarHBondContact O-N 2.92Å; T1368-I1370 VanDerWaalsContact C-N 3.34Å; T1368-I1370 PolarHBondContact O-N 2.84Å; T1368-I1371 PolarHBondContact O-N 3.14Å; T1368-H1372 WeakPolarHBondContact O-CB 3.47Å; T1368-H1372 PolarHBondContact O-N 2.82Å; T1368-I1430 HydrophobicContact CG2-CD1 3.86Å; T1368-I1430 HydrophobicContact CG2-CG1 4.13Å; T1368-I1430 WeakPolarHBondContact OG1-CD1 3.34Å |
| 1369 | E | 80 | Confident | 73.2 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 172 | -85.2 | -176.7 | -142.5 | 0 | 0 | 112.8 | K1323 N1365 E1366 R1373 | K1323-E1369 IonicContact NZ-OE1 2.76Å; K1323-E1369 PolarHBondContact NZ-OE1 3.15Å; K1323-E1369 IonicContact NZ-OE2 3.32Å; K1323-E1369 PolarHBondContact NZ-OE2 2.67Å; N1365-E1369 PolarHBondContact O-N 2.03Å; E1366-E1369 WeakPolarHBondContact O-CB 3.34Å; E1366-E1369 PolarHBondContact O-N 3.41Å; E1369-R1373 VanDerWaalsContact O-CG 3.28Å; E1369-R1373 WeakPolarHBondContact O-CG 3.46Å; E1369-R1373 PolarHBondContact O-N 3.26Å; E1369-R1373 VanDerWaalsContact O-N 3.09Å; E1369-R1373 IonicContact OE2-NH2 3.97Å; E1369-R1373 PolarHBondContact OE2-NH2 2.89Å |
| 1370 | I | 83.4 | Confident | 72.9 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 178.1 | -63.4 | 171 | 0 | 0 | 0 | 110.6 | I1320 Y1329 E1366 I1367 T1368 I1445 | I1320-I1370 HydrophobicContact CB-CD1 4.48Å; I1320-I1370 HydrophobicContact CD1-CB 4.42Å; I1320-I1370 HydrophobicContact CD1-CD1 3.99Å; I1320-I1370 HydrophobicContact CD1-CG1 3.74Å; I1320-I1370 HydrophobicContact CD1-CG2 3.92Å; I1320-I1370 HydrophobicContact CG2-CD1 4.01Å; I1320-I1370 HydrophobicContact CG2-CG1 4.17Å; Y1329-I1370 HydrophobicContact CD2-CD1 3.84Å; Y1329-I1370 HydrophobicContact CG-CD1 3.89Å; E1366-I1370 WeakPolarHBondContact O-CG1 3.46Å; E1366-I1370 PolarHBondContact O-N 3.15Å; E1366-I1370 VanDerWaalsContact O-N 3.09Å; I1367-I1370 HydrophobicContact CD1-CD1 4.03Å; I1367-I1370 PolarHBondContact O-N 3.2Å; T1368-I1370 VanDerWaalsContact C-N 3.34Å; T1368-I1370 PolarHBondContact O-N 2.84Å; I1370-I1445 HydrophobicContact CB-CD1 4.48Å; I1370-I1445 HydrophobicContact CG2-CD1 3.98Å |
| 1371 | I | 81.6 | Confident | 73.2 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 178.4 | -68.2 | 168.1 | 0 | 0 | 0 | 110.1 | I1367 T1368 R1373 N1374 S1375 L1423 I1430 I1445 | I1367-I1371 HydrophobicContact CG2-CD1 4.07Å; I1367-I1371 WeakPolarHBondContact O-CG1 3.44Å; I1367-I1371 PolarHBondContact O-N 2.03Å; T1368-I1371 PolarHBondContact O-N 3.14Å; I1371-R1373 PolarHBondContact O-N 2.89Å; I1371-N1374 PolarHBondContact O-N 2.82Å; I1371-N1374 VanDerWaalsContact O-N 3.17Å; I1371-S1375 PolarHBondContact O-N 2.02Å; I1371-L1423 HydrophobicContact CD1-CB 4.3Å; I1371-L1423 HydrophobicContact CD1-CD1 3.79Å; I1371-I1430 HydrophobicContact CD1-CD1 3.84Å; I1371-I1445 HydrophobicContact CD1-CD1 4.38Å; I1371-I1445 HydrophobicContact CG1-CD1 3.95Å |
| 1372 | H | 75.2 | Confident | 73.8 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 32% | 0.324 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -29.7 | -177.7 | -75.2 | -32.2 | 0 | 0 | 0 | 114.7 | T1368 N1374 S1375 S1425 | T1368-H1372 WeakPolarHBondContact O-CB 3.47Å; T1368-H1372 PolarHBondContact O-N 2.82Å; H1372-N1374 PolarHBondContact O-N 2.86Å; H1372-S1375 WeakPolarHBondContact CA-OG 3.47Å; H1372-S1375 PolarHBondContact O-N 3.05Å; H1372-S1375 PolarHBondContact O-OG 3.22Å; H1372-S1425 PolarHBondContact CE1-OG 3.3Å |
| 1373 | R | 71.5 | Confident | 74.5 | Confident | 174 Ų | 174 | 47.1 Ų | 47.1 | 66% | 0.657 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.2 | -27.1 | 173.5 | -79.1 | 177.6 | -162.3 | -173.6 | 10.4 | 113.4 | E1369 I1371 | E1369-R1373 VanDerWaalsContact O-CG 3.28Å; E1369-R1373 WeakPolarHBondContact O-CG 3.46Å; E1369-R1373 PolarHBondContact O-N 3.26Å; E1369-R1373 VanDerWaalsContact O-N 3.09Å; E1369-R1373 IonicContact OE2-NH2 3.97Å; E1369-R1373 PolarHBondContact OE2-NH2 2.89Å; I1371-R1373 PolarHBondContact O-N 2.89Å |
| 1374 | N | 64.5 | Low | 74.7 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -104 | -4.3 | -176.5 | -72.2 | -7.2 | 0 | 0 | 0 | 113.5 | L1332 I1371 H1372 Q1376 | L1332-N1374 HydrophobicContact CD2-CB 4.31Å; I1371-N1374 PolarHBondContact O-N 2.82Å; I1371-N1374 VanDerWaalsContact O-N 3.17Å; H1372-N1374 PolarHBondContact O-N 2.86Å; N1374-Q1376 PolarHBondContact O-N 3.39Å |
| 1375 | S | 48.3 | Very low | 74.9 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | trans | -91.9 | 96.9 | -171.1 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | I1371 H1372 | I1371-S1375 PolarHBondContact O-N 2.02Å; H1372-S1375 WeakPolarHBondContact CA-OG 3.47Å; H1372-S1375 PolarHBondContact O-N 3.05Å; H1372-S1375 PolarHBondContact O-OG 3.22Å | ||
| 1376 | Q | 43.8 | Very low | 75.2 | Confident | 171 Ų | 171 | 45.9 Ų | 45.9 | 80% | 0.799 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -90.4 | 131.8 | 130.1 | -69.5 | -175.4 | -8.4 | 0 | 0 | 107.4 | N1374 R1379 | N1374-Q1376 PolarHBondContact O-N 3.39Å; Q1376-R1379 PolarHBondContact O-NH2 2.88Å; Q1376-R1379 VanDerWaalsContact O-NH2 3.15Å |
| 1377 | S | 46.9 | Very low | 74.8 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 65% | 0.65 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 62.1 | 149.1 | -166.4 | 85.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1378 | M | 48.3 | Very low | 73.8 | Confident | 74 Ų | 74 | 46 Ų | 46 | 37% | 0.365 | 23% | 0.227 | S | C | . | . | trans | -61 | 149.7 | 173.4 | -51.9 | -56.5 | -172.2 | 0 | 0 | 111.2 | S1425 D2145 | M1378-S1425 WeakPolarHBondContact CB-O 3.32Å; M1378-D2145 WeakPolarHBondContact CE-OD1 3.33Å | ||
| 1379 | R | 65.4 | Low | 72.9 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | trans | -149.3 | 147.9 | -179.1 | -59.1 | -175.1 | -166.9 | -167.8 | 3.8 | 112.6 | N1334 Q1376 | N1334-R1379 PolarHBondContact OD1-NH1 3.43Å; Q1376-R1379 PolarHBondContact O-NH2 2.88Å; Q1376-R1379 VanDerWaalsContact O-NH2 3.15Å | ||
| 1380 | T | 81.2 | Confident | 72.2 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.1 | 168.5 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | L1423 D1424 S1441 S1443 | T1380-L1423 CarbonylContact C-O 3.5Å; T1380-L1423 VanDerWaalsContact CA-O 3.3Å; T1380-L1423 WeakPolarHBondContact CA-O 3.23Å; T1380-D1424 WeakPolarHBondContact CG2-OD1 3.36Å; T1380-S1441 PolarHBondContact O-OG 2.9Å; T1380-S1441 PolarHBondContact OG1-OG 3.28Å; T1380-S1443 PolarHBondContact O-N 2.94Å; T1380-S1443 PolarHBondContact O-OG 2.68Å |
| 1381 | T | 86.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 118.1 | -173.6 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | L1332 A1422 L1423 S1443 I1445 | L1332-T1381 HydrophobicContact CD1-CG2 3.57Å; T1381-A1422 CarbonylContact O-C 3.23Å; T1381-A1422 WeakPolarHBondContact O-CA 3.33Å; T1381-L1423 PolarHBondContact N-O 2.89Å; T1381-L1423 PolarHBondContact O-N 3.14Å; T1381-S1443 CarbonylContact C-O 3.41Å; T1381-S1443 VanDerWaalsContact CA-O 3.28Å; T1381-S1443 WeakPolarHBondContact CA-O 3.42Å; T1381-S1443 WeakPolarHBondContact CA-OG 3.33Å; T1381-S1443 WeakPolarHBondContact CB-OG 3.35Å; T1381-S1443 PolarHBondContact OG1-OG 2.72Å; T1381-I1445 HydrophobicContact CG2-CB 4.5Å; T1381-I1445 HydrophobicContact CG2-CD1 4Å; T1381-I1445 HydrophobicContact CG2-CG1 3.85Å |
| 1382 | W | 91.5 | Very high | 71.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.9 | 176.9 | -76.7 | 133.9 | 0 | 0 | 0 | 112.8 | I1337 W1339 L1355 C1420 A1422 M1435 K1439 S1441 S1443 F1444 | I1337-W1382 PolarHBondContact O-NE1 3.12Å; W1339-W1382 HydrophobicContact CB-CD2 4.28Å; W1339-W1382 HydrophobicContact CB-CH2 4.4Å; W1339-W1382 HydrophobicContact CB-CZ2 4.08Å; W1339-W1382 AromaticContact CD1-CD2 3.96Å; W1339-W1382 AromaticContact CD1-CE3 3.76Å; L1355-W1382 HydrophobicContact CD2-CB 4.25Å; W1382-C1420 HydrophobicContact CE3-CB 4.45Å; W1382-C1420 HydrophobicContact CH2-CB 3.99Å; W1382-C1420 HydrophobicContact CZ3-CB 3.7Å; W1382-A1422 HydrophobicContact CE3-CB 3.87Å; W1382-A1422 HydrophobicContact CZ3-CB 4.18Å; W1382-M1435 HydrophobicContact CH2-CB 3.8Å; W1382-M1435 HydrophobicContact CH2-CE 4.2Å; W1382-M1435 HydrophobicContact CZ2-CE 4.42Å; W1382-M1435 HydrophobicContact CZ3-CB 4.11Å; W1382-K1439 VanDerWaalsContact CZ2-O 3.28Å; W1382-K1439 WeakPolarHBondContact CZ2-O 3.36Å; W1382-S1441 VanDerWaalsContact NE1-CB 3.32Å; W1382-S1443 PolarHBondContact N-O 3.19Å; W1382-F1444 HydrophobicContact CB-CB 3.84Å |
| 1383 | I | 92.1 | Very high | 71.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 167.1 | 171.9 | 59 | 164.6 | 0 | 0 | 0 | 110.9 | W1339 V1356 I1358 L1385 W1394 F1421 L1423 W1432 | W1339-I1383 PolarHBondContact NE1-O 2.73Å; V1356-I1383 HydrophobicContact CG1-CB 4.17Å; V1356-I1383 HydrophobicContact CG1-CG2 3.64Å; I1358-I1383 HydrophobicContact CD1-CD1 4.47Å; I1358-I1383 HydrophobicContact CD1-CG2 4.48Å; I1383-L1385 HydrophobicContact CD1-CB 4.31Å; I1383-L1385 PolarHBondContact O-N 3.12Å; I1383-W1394 HydrophobicContact CD1-CH2 4.17Å; I1383-W1394 HydrophobicContact CD1-CZ3 4.13Å; I1383-F1421 HydrophobicContact CD1-CB 4.15Å; I1383-F1421 HydrophobicContact CG1-CB 4.04Å; I1383-F1421 WeakPolarHBondContact CG1-O 3.46Å; I1383-F1421 PolarHBondContact N-O 3.17Å; I1383-F1421 VanDerWaalsContact N-O 3.12Å; I1383-L1423 HydrophobicContact CD1-CD2 4.05Å; I1383-L1423 HydrophobicContact CG2-CD1 3.76Å; I1383-L1423 HydrophobicContact CG2-CD2 4.17Å; I1383-L1423 HydrophobicContact CG2-CG 3.56Å; I1383-W1432 HydrophobicContact CD1-CD2 4.03Å; I1383-W1432 HydrophobicContact CD1-CE3 4.15Å; I1383-W1432 HydrophobicContact CD1-CG 4.41Å |
| 1384 | G | 90.1 | Very high | 72.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 4.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1355 V1356 W1394 S1395 | L1355-G1384 VanDerWaalsContact CB-CA 3.47Å; V1356-G1384 PolarHBondContact O-N 2.96Å; G1384-W1394 VanDerWaalsContact C-CE3 3.48Å; G1384-W1394 CarbonylContact O-C 3.49Å; G1384-W1394 WeakPolarHBondContact O-CA 3.03Å; G1384-S1395 PolarHBondContact O-N 3.4Å |
| 1385 | L | 90.2 | Very high | 73.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.5 | -178 | -171.6 | 72.2 | 0 | 0 | 0 | 110.6 | I1383 K1393 W1394 I1400 F1421 W1432 | I1383-L1385 HydrophobicContact CD1-CB 4.31Å; I1383-L1385 PolarHBondContact O-N 3.12Å; L1385-K1393 WeakPolarHBondContact CA-O 3.45Å; L1385-W1394 HydrophobicContact CB-CD2 4.43Å; L1385-W1394 HydrophobicContact CB-CE3 3.77Å; L1385-W1394 HydrophobicContact CB-CH2 3.98Å; L1385-W1394 HydrophobicContact CB-CZ3 3.54Å; L1385-W1394 HydrophobicContact CD1-CD2 4.1Å; L1385-W1394 HydrophobicContact CD1-CE3 4.29Å; L1385-W1394 HydrophobicContact CD1-CZ2 4.32Å; L1385-I1400 HydrophobicContact CD1-CD1 3.64Å; L1385-I1400 HydrophobicContact CD1-CG1 4.36Å; L1385-F1421 HydrophobicContact CB-CB 4.09Å; L1385-F1421 HydrophobicContact CB-CD2 4.08Å; L1385-F1421 HydrophobicContact CB-CG 4.29Å; L1385-F1421 HydrophobicContact CD2-CB 4.28Å; L1385-F1421 HydrophobicContact CD2-CD1 4.11Å; L1385-F1421 HydrophobicContact CD2-CD2 3.62Å; L1385-F1421 HydrophobicContact CD2-CE1 4.35Å; L1385-F1421 HydrophobicContact CD2-CE2 3.92Å; L1385-F1421 HydrophobicContact CD2-CG 3.74Å; L1385-F1421 HydrophobicContact CD2-CZ 4.26Å; L1385-F1421 HydrophobicContact CG-CD2 3.71Å; L1385-F1421 HydrophobicContact CG-CE2 4.15Å; L1385-F1421 HydrophobicContact CG-CG 4.18Å; L1385-F1421 PolarHBondContact O-N 3.4Å; L1385-W1432 HydrophobicContact CD2-CE3 3.85Å; L1385-W1432 HydrophobicContact CD2-CZ3 3.87Å |
| 1386 | Y | 86.1 | Confident | 75.2 | Confident | 41 Ų | 41 | 34.2 Ų | 34.2 | 16% | 0.161 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 156.6 | 179.4 | 73.7 | -70.2 | 0 | 0 | 0 | 111.9 | W1339 Y1392 K1393 D1419 | W1339-Y1386 AromaticContact CH2-CD1 3.52Å; W1339-Y1386 HydrophobicContact CH2-CD1 3.52Å; W1339-Y1386 HydrophobicContact CH2-CD2 4.22Å; W1339-Y1386 HydrophobicContact CH2-CE1 4.06Å; W1339-Y1386 AromaticContact CH2-CG 3.63Å; W1339-Y1386 HydrophobicContact CH2-CG 3.63Å; W1339-Y1386 AromaticContact CZ2-CD1 3.66Å; W1339-Y1386 HydrophobicContact CZ2-CD1 3.66Å; W1339-Y1386 AromaticContact CZ2-CG 3.84Å; W1339-Y1386 HydrophobicContact CZ2-CG 3.84Å; W1339-Y1386 HydrophobicContact CZ3-CG 4.29Å; Y1386-Y1392 CarbonylContact O-C 3.11Å; Y1386-Y1392 WeakPolarHBondContact O-CA 3.05Å; Y1386-K1393 HydrophobicContact CD1-CB 4.27Å; Y1386-K1393 WeakPolarHBondContact CD1-O 3.43Å; Y1386-K1393 HydrophobicContact CE1-CB 3.7Å; Y1386-K1393 PolarHBondContact N-O 2.92Å; Y1386-K1393 PolarHBondContact O-N 3.32Å; Y1386-D1419 CarbonylContact C-O 3.28Å |
| 1387 | E | 76.8 | Confident | 76.9 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.4 | 174.1 | -166.8 | 175.9 | 151.9 | 0 | 0 | 111.3 | Y1392 K1411 Q1418 D1419 P1567 | E1387-Y1392 HydrophobicContact CB-CD1 3.87Å; E1387-Y1392 HydrophobicContact CB-CE1 3.88Å; E1387-Y1392 HydrophobicContact CG-CD1 4.14Å; E1387-Y1392 HydrophobicContact CG-CE1 4Å; E1387-K1411 IonicContact OE1-NZ 3.91Å; E1387-K1411 PolarHBondContact OE1-NZ 3.23Å; E1387-K1411 IonicContact OE2-NZ 3.9Å; E1387-K1411 PolarHBondContact OE2-NZ 2.8Å; E1387-Q1418 HydrophobicContact CB-CB 4.5Å; E1387-Q1418 WeakPolarHBondContact O-CB 3.38Å; E1387-Q1418 VanDerWaalsContact O-CD 3.31Å; E1387-Q1418 WeakPolarHBondContact O-CG 3.38Å; E1387-Q1418 PolarHBondContact O-OE1 2.65Å; E1387-D1419 WeakPolarHBondContact CB-O 3.06Å; E1387-D1419 PolarHBondContact N-O 2.9Å; E1387-P1567 HydrophobicContact CG-CG 4.41Å; E1387-P1567 WeakPolarHBondContact OE1-CG 3.45Å |
| 1388 | S | 66.9 | Low | 78.5 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 11% | 0.105 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 117.9 | 173.1 | 165 | 0 | 0 | 0 | 0 | 108.2 | A1391 K1393 | S1388-A1391 CarbonylContact C-O 3.22Å; S1388-A1391 PolarHBondContact N-O 2.85Å; S1388-A1391 PolarHBondContact O-N 3.08Å; S1388-K1393 PolarHBondContact OG-NZ 3.27Å |
| 1389 | N | 60 | Low | 79.6 | Confident | 55 Ų | 55 | 30.4 Ų | 30.4 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 42.7 | 171.8 | -43.5 | -0.7 | 0 | 0 | 0 | 112.7 | A1391 Y1795 | N1389-A1391 VanDerWaalsContact C-N 3.26Å; N1389-A1391 PolarHBondContact O-N 3.07Å; N1389-Y1795 HydrophobicContact CB-CD2 4.36Å; N1389-Y1795 WeakPolarHBondContact ND2-CB 3.44Å; N1389-Y1795 PolarHBondContact ND2-O 2.83Å; N1389-Y1795 PolarHBondContact OD1-O 3.11Å |
| 1390 | F | 65.2 | Low | 80.3 | Confident | 55 Ų | 55 | 27.2 Ų | 27.2 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.7 | -173 | -57.2 | -81.1 | 0 | 0 | 0 | 114.4 | Y1416 K1566 P1567 Y1777 | F1390-Y1416 AromaticContact CE1-CD1 3.96Å; F1390-Y1416 HydrophobicContact CE1-CD1 3.96Å; F1390-Y1416 HydrophobicContact CE1-CE1 4.5Å; F1390-Y1416 HydrophobicContact CZ-CD1 4.03Å; F1390-K1566 WeakPolarHBondContact O-CA 3.48Å; F1390-K1566 WeakPolarHBondContact O-CB 3.38Å; F1390-K1566 VanDerWaalsContact O-CE 3.28Å; F1390-K1566 WeakPolarHBondContact O-CE 3.5Å; F1390-K1566 VanDerWaalsContact O-CG 3.26Å; F1390-K1566 WeakPolarHBondContact O-CG 3.19Å; F1390-P1567 WeakPolarHBondContact O-CD 3.23Å; F1390-Y1777 WeakPolarHBondContact CE2-OH 3.31Å |
| 1391 | A | 70.8 | Confident | 79.9 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 147.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1388 N1389 F1564 I1565 | S1388-A1391 CarbonylContact C-O 3.22Å; S1388-A1391 PolarHBondContact N-O 2.85Å; S1388-A1391 PolarHBondContact O-N 3.08Å; N1389-A1391 VanDerWaalsContact C-N 3.26Å; N1389-A1391 PolarHBondContact O-N 3.07Å; A1391-F1564 HydrophobicContact CB-CD2 4.03Å; A1391-F1564 HydrophobicContact CB-CE2 3.32Å; A1391-F1564 HydrophobicContact CB-CZ 3.78Å; A1391-I1565 WeakPolarHBondContact CA-O 3.03Å |
| 1392 | Y | 82.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 151.4 | 178.3 | -56.5 | -60 | 0 | 0 | 0 | 112 | Y1386 E1387 I1400 I1409 F1421 I1565 P1567 | Y1386-Y1392 CarbonylContact O-C 3.11Å; Y1386-Y1392 WeakPolarHBondContact O-CA 3.05Å; E1387-Y1392 HydrophobicContact CB-CD1 3.87Å; E1387-Y1392 HydrophobicContact CB-CE1 3.88Å; E1387-Y1392 HydrophobicContact CG-CD1 4.14Å; E1387-Y1392 HydrophobicContact CG-CE1 4Å; Y1392-I1400 WeakPolarHBondContact O-CD1 3.14Å; Y1392-I1409 HydrophobicContact CD2-CG2 4.43Å; Y1392-I1409 HydrophobicContact CE2-CB 3.93Å; Y1392-I1409 HydrophobicContact CE2-CG2 3.86Å; Y1392-F1421 AromaticContact CD1-CE2 3.66Å; Y1392-F1421 HydrophobicContact CD1-CE2 3.66Å; Y1392-F1421 HydrophobicContact CD1-CZ 4.16Å; Y1392-F1421 AromaticContact CE1-CE2 3.55Å; Y1392-F1421 HydrophobicContact CE1-CE2 3.55Å; Y1392-F1421 AromaticContact CE1-CZ 3.75Å; Y1392-F1421 HydrophobicContact CE1-CZ 3.75Å; Y1392-F1421 HydrophobicContact CG-CE2 4.46Å; Y1392-F1421 AromaticContact CZ-CZ 3.98Å; Y1392-I1565 HydrophobicContact CD2-CG2 4.1Å; Y1392-I1565 HydrophobicContact CE2-CG2 4.44Å; Y1392-I1565 PolarHBondContact N-O 3.03Å; Y1392-P1567 HydrophobicContact CE1-CG 4.31Å; Y1392-P1567 HydrophobicContact CE2-CG 4.3Å; Y1392-P1567 WeakPolarHBondContact OH-CB 3.38Å; Y1392-P1567 WeakPolarHBondContact OH-CG 3.5Å |
| 1393 | K | 79.5 | Confident | 78.8 | Confident | 77 Ų | 77 | 31.9 Ų | 31.9 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.9 | 174.8 | -66.1 | -178.9 | -173.5 | 160.6 | 0 | 111.6 | L1385 Y1386 S1388 | L1385-K1393 WeakPolarHBondContact CA-O 3.45Å; Y1386-K1393 HydrophobicContact CD1-CB 4.27Å; Y1386-K1393 WeakPolarHBondContact CD1-O 3.43Å; Y1386-K1393 HydrophobicContact CE1-CB 3.7Å; Y1386-K1393 PolarHBondContact N-O 2.92Å; Y1386-K1393 PolarHBondContact O-N 3.32Å; S1388-K1393 PolarHBondContact OG-NZ 3.27Å |
| 1394 | W | 86.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 144.7 | 165.4 | -66.4 | 114.5 | 0 | 0 | 0 | 111.2 | V1356 S1357 I1358 H1359 I1383 G1384 L1385 D1396 Q1397 T1398 W1432 | V1356-W1394 WeakPolarHBondContact O-CZ3 2.99Å; S1357-W1394 VanDerWaalsContact CA-CE3 3.47Å; I1358-W1394 HydrophobicContact CB-CH2 3.89Å; I1358-W1394 HydrophobicContact CB-CZ2 4.19Å; I1358-W1394 HydrophobicContact CG1-CH2 4.18Å; I1358-W1394 VanDerWaalsContact N-CH2 3.34Å; I1358-W1394 VanDerWaalsContact O-CZ2 3.31Å; I1358-W1394 WeakPolarHBondContact O-CZ2 3.15Å; H1359-W1394 AromaticContact CE1-CD1 3.94Å; H1359-W1394 AromaticContact CE1-NE1 3.89Å; I1383-W1394 HydrophobicContact CD1-CH2 4.17Å; I1383-W1394 HydrophobicContact CD1-CZ3 4.13Å; G1384-W1394 VanDerWaalsContact C-CE3 3.48Å; G1384-W1394 CarbonylContact O-C 3.49Å; G1384-W1394 WeakPolarHBondContact O-CA 3.03Å; L1385-W1394 HydrophobicContact CB-CD2 4.43Å; L1385-W1394 HydrophobicContact CB-CE3 3.77Å; L1385-W1394 HydrophobicContact CB-CH2 3.98Å; L1385-W1394 HydrophobicContact CB-CZ3 3.54Å; L1385-W1394 HydrophobicContact CD1-CD2 4.1Å; L1385-W1394 HydrophobicContact CD1-CE3 4.29Å; L1385-W1394 HydrophobicContact CD1-CZ2 4.32Å; W1394-D1396 VanDerWaalsContact C-N 3.31Å; W1394-D1396 WeakPolarHBondContact CB-OD1 3.05Å; W1394-D1396 PolarHBondContact O-N 3.4Å; W1394-Q1397 PolarHBondContact O-N 2.77Å; W1394-Q1397 VanDerWaalsContact O-N 3.09Å; W1394-Q1397 PolarHBondContact O-NE2 3.29Å; W1394-T1398 WeakPolarHBondContact CB-OG1 3.49Å; W1394-W1432 AromaticContact CH2-CH2 3.68Å; W1394-W1432 HydrophobicContact CH2-CH2 3.68Å; W1394-W1432 HydrophobicContact CH2-CZ2 4.5Å; W1394-W1432 AromaticContact CH2-CZ3 3.83Å; W1394-W1432 HydrophobicContact CH2-CZ3 3.83Å; W1394-W1432 AromaticContact CZ2-CH2 3.81Å; W1394-W1432 HydrophobicContact CZ2-CH2 3.81Å; W1394-W1432 AromaticContact CZ2-CZ3 3.99Å; W1394-W1432 HydrophobicContact CZ2-CZ3 3.99Å |
| 1395 | S | 86 | Confident | 76.4 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -29.1 | -177.6 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | E1343 G1384 Q1397 | E1343-S1395 VanDerWaalsContact CD-CB 3.45Å; E1343-S1395 VanDerWaalsContact OE2-CB 3.28Å; E1343-S1395 WeakPolarHBondContact OE2-CB 3.32Å; E1343-S1395 PolarHBondContact OE2-OG 3.4Å; G1384-S1395 PolarHBondContact O-N 3.4Å; S1395-Q1397 PolarHBondContact O-N 3.24Å; S1395-Q1397 PolarHBondContact O-NE2 2.86Å |
| 1396 | D | 82.5 | Confident | 75 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 6 | 172.7 | 75 | -13.3 | 0 | 0 | 0 | 114.4 | H1354 S1357 W1394 T1398 R1447 | H1354-D1396 HydrophobicContact CB-CB 3.84Å; S1357-D1396 WeakPolarHBondContact CB-OD2 3.42Å; S1357-D1396 PolarHBondContact OG-OD2 2.79Å; W1394-D1396 VanDerWaalsContact C-N 3.31Å; W1394-D1396 WeakPolarHBondContact CB-OD1 3.05Å; W1394-D1396 PolarHBondContact O-N 3.4Å; D1396-T1398 VanDerWaalsContact C-N 3.29Å; D1396-T1398 PolarHBondContact O-N 2.93Å; D1396-T1398 WeakPolarHBondContact OD1-CB 3.33Å; D1396-T1398 WeakPolarHBondContact OD1-CG2 3.09Å; D1396-T1398 PolarHBondContact OD1-N 3.45Å; D1396-T1398 PolarHBondContact OD1-OG1 3.02Å; D1396-T1398 WeakPolarHBondContact OD2-CG2 3.07Å; D1396-R1447 IonicContact OD2-NH2 2.66Å |
| 1397 | Q | 79.5 | Confident | 74.2 | Confident | 128 Ų | 128 | 34.6 Ų | 34.6 | 60% | 0.598 | 18% | 0.18 | S | C | * | . | trans | 63 | 24.9 | 179.3 | -48.8 | -54.9 | -65.9 | 0 | 0 | 115.2 | W1394 S1395 | W1394-Q1397 PolarHBondContact O-N 2.77Å; W1394-Q1397 VanDerWaalsContact O-N 3.09Å; W1394-Q1397 PolarHBondContact O-NE2 3.29Å; S1395-Q1397 PolarHBondContact O-N 3.24Å; S1395-Q1397 PolarHBondContact O-NE2 2.86Å | ||
| 1398 | T | 81.9 | Confident | 73.9 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 28% | 0.276 | 19% | 0.194 | S | C | . | . | trans | -80.6 | 157.5 | 172.6 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | H1359 W1394 D1396 | H1359-T1398 VanDerWaalsContact CE1-CB 3.47Å; H1359-T1398 WeakPolarHBondContact CE1-CB 3.46Å; H1359-T1398 PolarHBondContact CE1-OG1 3.47Å; H1359-T1398 PolarHBondContact NE2-OG1 2.85Å; W1394-T1398 WeakPolarHBondContact CB-OG1 3.49Å; D1396-T1398 VanDerWaalsContact C-N 3.29Å; D1396-T1398 PolarHBondContact O-N 2.93Å; D1396-T1398 WeakPolarHBondContact OD1-CB 3.33Å; D1396-T1398 WeakPolarHBondContact OD1-CG2 3.09Å; D1396-T1398 PolarHBondContact OD1-N 3.45Å; D1396-T1398 PolarHBondContact OD1-OG1 3.02Å; D1396-T1398 WeakPolarHBondContact OD2-CG2 3.07Å | ||
| 1399 | D | 70.2 | Confident | 74.2 | Confident | 85 Ų | 85 | 36.4 Ų | 36.4 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | trans | -65.7 | 140.4 | 178.2 | -83.2 | 5.7 | 0 | 0 | 0 | 112.7 | H1359 N1401 Q1563 | H1359-D1399 PolarHBondContact ND1-O 2.85Å; D1399-N1401 VanDerWaalsContact C-N 3.29Å; D1399-N1401 PolarHBondContact O-N 3.42Å; D1399-N1401 PolarHBondContact O-OD1 2.96Å; D1399-Q1563 PolarHBondContact OD2-NE2 3.1Å | ||
| 1400 | I | 79.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -82 | 79.4 | 169.4 | -57.1 | -175.2 | 0 | 0 | 0 | 109.7 | L1385 Y1392 I1403 P1562 | L1385-I1400 HydrophobicContact CD1-CD1 3.64Å; L1385-I1400 HydrophobicContact CD1-CG1 4.36Å; Y1392-I1400 WeakPolarHBondContact O-CD1 3.14Å; I1400-I1403 HydrophobicContact CG2-CD1 3.83Å; I1400-I1403 HydrophobicContact CG2-CG1 3.69Å; I1400-P1562 CarbonylContact O-C 3.6Å | ||
| 1401 | N | 74.1 | Confident | 74.7 | Confident | 73 Ų | 73 | 31.8 Ų | 31.8 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | trans | -91.5 | -10.9 | 175.6 | 56.2 | 7.6 | 0 | 0 | 0 | 113.8 | H1359 D1399 | H1359-N1401 WeakPolarHBondContact CA-OD1 3.34Å; H1359-N1401 WeakPolarHBondContact CB-OD1 3.26Å; H1359-N1401 PolarHBondContact ND1-OD1 2.84Å; D1399-N1401 VanDerWaalsContact C-N 3.29Å; D1399-N1401 PolarHBondContact O-N 3.42Å; D1399-N1401 PolarHBondContact O-OD1 2.96Å | ||
| 1402 | Y | 78 | Confident | 74.2 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | trans | -142.4 | 130.7 | -179.2 | -179.2 | -103.7 | 0 | 0 | 0 | 111.8 | I1358 H1359 Y1361 L1364 P1404 W1432 | I1358-Y1402 HydrophobicContact CG2-CD1 4.19Å; I1358-Y1402 HydrophobicContact CG2-CE1 4.31Å; H1359-Y1402 VanDerWaalsContact C-CB 3.44Å; H1359-Y1402 WeakPolarHBondContact O-CB 3.4Å; Y1361-Y1402 WeakPolarHBondContact CA-OH 3.37Å; Y1361-Y1402 WeakPolarHBondContact CB-OH 3.24Å; L1364-Y1402 HydrophobicContact CD2-CE1 4.4Å; Y1402-P1404 HydrophobicContact CE1-CB 4.28Å; Y1402-P1404 HydrophobicContact CE1-CG 4.48Å; Y1402-W1432 HydrophobicContact CD1-CH2 4.22Å; Y1402-W1432 HydrophobicContact CD1-CZ2 4.4Å; Y1402-W1432 HydrophobicContact CE1-CZ2 4.26Å | ||
| 1403 | I | 75.7 | Confident | 72.8 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | trans | -138.4 | 128.3 | 166 | -62 | -170.2 | 0 | 0 | 0 | 106.8 | I1400 A1407 I1409 I1565 | I1400-I1403 HydrophobicContact CG2-CD1 3.83Å; I1400-I1403 HydrophobicContact CG2-CG1 3.69Å; I1403-A1407 HydrophobicContact CG2-CB 3.43Å; I1403-A1407 VanDerWaalsContact CG2-CB 3.43Å; I1403-I1409 HydrophobicContact CD1-CG2 4.37Å; I1403-I1409 HydrophobicContact CG2-CG2 4.32Å; I1403-I1565 HydrophobicContact CD1-CD1 3.59Å; I1403-I1565 HydrophobicContact CD1-CG2 4.39Å; I1403-I1565 HydrophobicContact CG1-CD1 4.33Å | ||
| 1404 | P | 70.2 | Confident | 71.8 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | trans | -77.8 | 167.8 | 179.8 | 31.7 | -35.6 | 0 | 0 | 0 | 113.2 | L1364 Y1402 S1406 A1407 W1432 | L1364-P1404 HydrophobicContact CD2-CB 4.18Å; L1364-P1404 HydrophobicContact CD2-CG 4.35Å; Y1402-P1404 HydrophobicContact CE1-CB 4.28Å; Y1402-P1404 HydrophobicContact CE1-CG 4.48Å; P1404-S1406 PolarHBondContact O-N 2.58Å; P1404-A1407 HydrophobicContact CG-CB 4.14Å; P1404-A1407 WeakPolarHBondContact O-CB 3.19Å; P1404-A1407 PolarHBondContact O-N 2.86Å; P1404-W1432 HydrophobicContact CG-CD2 3.64Å; P1404-W1432 VanDerWaalsContact CG-CE2 3.43Å; P1404-W1432 HydrophobicContact CG-CE3 4.19Å; P1404-W1432 HydrophobicContact CG-CG 3.95Å; P1404-W1432 HydrophobicContact CG-CH2 4.34Å; P1404-W1432 HydrophobicContact CG-CZ2 3.83Å | ||
| 1405 | V | 62.4 | Low | 70.4 | Confident | 54 Ų | 54 | 37.5 Ų | 37.5 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -42.4 | 178 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | A1407 R1545 H1552 | V1405-A1407 VanDerWaalsContact C-N 3.26Å; V1405-A1407 PolarHBondContact O-N 3.42Å; V1405-R1545 VanDerWaalsContact CA-NH2 3.34Å; V1405-R1545 PolarHBondContact O-NH2 2.73Å; V1405-H1552 HydrophobicContact CG2-CB 3.23Å |
| 1406 | S | 60.1 | Low | 69.1 | Low | 28 Ų | 28 | 39.5 Ų | 39.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 10.9 | -173.6 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | P1404 I1430 N1431 W1432 | P1404-S1406 PolarHBondContact O-N 2.58Å; S1406-I1430 PolarHBondContact OG-O 2.67Å; S1406-N1431 WeakPolarHBondContact CB-OD1 3.38Å; S1406-W1432 PolarHBondContact O-N 2.91Å |
| 1407 | A | 70.4 | Confident | 67.8 | Low | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 122 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1403 P1404 V1405 I1409 W1432 | I1403-A1407 HydrophobicContact CG2-CB 3.43Å; I1403-A1407 VanDerWaalsContact CG2-CB 3.43Å; P1404-A1407 HydrophobicContact CG-CB 4.14Å; P1404-A1407 WeakPolarHBondContact O-CB 3.19Å; P1404-A1407 PolarHBondContact O-N 2.86Å; V1405-A1407 VanDerWaalsContact C-N 3.26Å; V1405-A1407 PolarHBondContact O-N 3.42Å; A1407-I1409 VanDerWaalsContact C-N 3.3Å; A1407-I1409 HydrophobicContact CB-CG2 4.32Å; A1407-I1409 PolarHBondContact O-N 2.86Å; A1407-W1432 HydrophobicContact CB-CB 3.93Å; A1407-W1432 HydrophobicContact CB-CD2 4.39Å; A1407-W1432 HydrophobicContact CB-CE3 4.18Å; A1407-W1432 HydrophobicContact CB-CG 4.32Å |
| 1408 | D | 69.7 | Low | 67.1 | Low | 57 Ų | 57 | 38.2 Ų | 38.2 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | trans | -75 | 83.1 | 171.5 | 179.3 | 20.2 | 0 | 0 | 0 | 110.9 | S1410 R1414 F1421 W1432 A1434 | D1408-S1410 PolarHBondContact OD1-N 2.88Å; D1408-S1410 VanDerWaalsContact OD1-N 3.16Å; D1408-R1414 PolarHBondContact O-NH2 3Å; D1408-R1414 IonicContact OD1-CZ 3.48Å; D1408-R1414 IonicContact OD1-NH2 2.79Å; D1408-R1414 PolarHBondContact OD1-NH2 3.17Å; D1408-R1414 IonicContact OD2-CZ 3.14Å; D1408-R1414 IonicContact OD2-NE 3.9Å; D1408-R1414 IonicContact OD2-NH2 3.71Å; D1408-R1414 PolarHBondContact OD2-NH2 2.96Å; D1408-R1414 VanDerWaalsContact OD2-NH2 3.16Å; D1408-F1421 WeakPolarHBondContact O-CE1 3.28Å; D1408-W1432 PolarHBondContact N-O 2.87Å; D1408-A1434 HydrophobicContact CB-CB 4.41Å | ||
| 1409 | I | 73.2 | Confident | 66.7 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -97.1 | 12.1 | 168 | 66.2 | 167.8 | 0 | 0 | 0 | 112.6 | Y1392 I1403 A1407 F1421 Y1554 I1568 | Y1392-I1409 HydrophobicContact CD2-CG2 4.43Å; Y1392-I1409 HydrophobicContact CE2-CB 3.93Å; Y1392-I1409 HydrophobicContact CE2-CG2 3.86Å; I1403-I1409 HydrophobicContact CD1-CG2 4.37Å; I1403-I1409 HydrophobicContact CG2-CG2 4.32Å; A1407-I1409 VanDerWaalsContact C-N 3.3Å; A1407-I1409 HydrophobicContact CB-CG2 4.32Å; A1407-I1409 PolarHBondContact O-N 2.86Å; I1409-F1421 HydrophobicContact CG2-CE1 4.41Å; I1409-F1421 HydrophobicContact CG2-CZ 4.29Å; I1409-Y1554 HydrophobicContact CD1-CD2 4.45Å; I1409-Y1554 HydrophobicContact CD1-CE2 3.58Å; I1409-I1568 HydrophobicContact CD1-CD1 4.06Å; I1409-I1568 PolarHBondContact O-N 3.03Å; I1409-I1568 VanDerWaalsContact O-N 3.11Å | ||
| 1410 | S | 68.5 | Low | 67.4 | Low | 10 Ų | 10 | 32.1 Ų | 32.1 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 109.2 | -179.7 | -158.5 | 0 | 0 | 0 | 0 | 110.5 | D1408 E1412 R1414 I1568 | D1408-S1410 PolarHBondContact OD1-N 2.88Å; D1408-S1410 VanDerWaalsContact OD1-N 3.16Å; S1410-E1412 PolarHBondContact O-N 3.04Å; S1410-E1412 VanDerWaalsContact O-N 3.13Å; S1410-E1412 WeakPolarHBondContact OG-CB 3.24Å; S1410-E1412 PolarHBondContact OG-OE2 3.49Å; S1410-R1414 VanDerWaalsContact C-NH2 3.33Å; S1410-R1414 PolarHBondContact O-NE 3.37Å; S1410-R1414 PolarHBondContact O-NH2 3.44Å; S1410-I1568 VanDerWaalsContact CA-O 3.3Å; S1410-I1568 WeakPolarHBondContact CA-O 3.31Å |
| 1411 | K | 66.8 | Low | 67.9 | Low | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | trans | -78.3 | 8.7 | 179 | -151.9 | 137.9 | -175.3 | 146.8 | 0 | 113.7 | E1387 R1414 H1415 M1417 D1419 P1567 I1568 L1906 | E1387-K1411 IonicContact OE1-NZ 3.91Å; E1387-K1411 PolarHBondContact OE1-NZ 3.23Å; E1387-K1411 IonicContact OE2-NZ 3.9Å; E1387-K1411 PolarHBondContact OE2-NZ 2.8Å; K1411-R1414 HydrophobicContact CG-CB 4.05Å; K1411-R1414 PolarHBondContact O-N 3.48Å; K1411-H1415 WeakPolarHBondContact CE-O 3.47Å; K1411-M1417 PolarHBondContact NZ-O 3.16Å; K1411-D1419 WeakPolarHBondContact CE-OD2 3.19Å; K1411-D1419 IonicContact NZ-OD2 3.87Å; K1411-D1419 PolarHBondContact NZ-OD2 3.23Å; K1411-P1567 HydrophobicContact CB-CB 3.92Å; K1411-P1567 HydrophobicContact CD-CB 3.79Å; K1411-P1567 HydrophobicContact CD-CG 4Å; K1411-P1567 HydrophobicContact CG-CB 4.49Å; K1411-I1568 PolarHBondContact N-O 3.08Å; K1411-L1906 HydrophobicContact CG-CD1 4.31Å | ||
| 1412 | E | 60.3 | Low | 68.5 | Low | 23 Ų | 23 | 28.4 Ų | 28.4 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 130.7 | 172 | -169.1 | 174.4 | -170.9 | 0 | 0 | 111 | S1410 R1414 H1572 L1906 | S1410-E1412 PolarHBondContact O-N 3.04Å; S1410-E1412 VanDerWaalsContact O-N 3.13Å; S1410-E1412 WeakPolarHBondContact OG-CB 3.24Å; S1410-E1412 PolarHBondContact OG-OE2 3.49Å; E1412-R1414 PolarHBondContact O-N 3.46Å; E1412-H1572 IonicContact OE1-CD2 3.98Å; E1412-H1572 IonicContact OE1-CE1 2.91Å; E1412-H1572 IonicContact OE1-CG 3.34Å; E1412-H1572 IonicContact OE1-ND1 2.61Å; E1412-H1572 IonicContact OE1-NE2 3.76Å; E1412-L1906 CarbonylContact C-O 3.48Å; E1412-L1906 VanDerWaalsContact CA-O 3.31Å; E1412-L1906 WeakPolarHBondContact CA-O 3.14Å |
| 1413 | S | 53.8 | Low | 69 | Low | 76 Ų | 76 | 26.6 Ų | 26.6 | 53% | 0.531 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 6 | -173.5 | -54.8 | 0 | 0 | 0 | 0 | 116 | L1906 | S1413-L1906 PolarHBondContact N-O 3.45Š|
| 1414 | R | 58.6 | Low | 69.1 | Low | 25 Ų | 25 | 27.1 Ų | 27.1 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | trans | -95.2 | 159.3 | 175.9 | -78 | -167.5 | -86.7 | 165.9 | -30.4 | 112.7 | D1408 S1410 K1411 E1412 D1419 S1905 L1906 | D1408-R1414 PolarHBondContact O-NH2 3Å; D1408-R1414 IonicContact OD1-CZ 3.48Å; D1408-R1414 IonicContact OD1-NH2 2.79Å; D1408-R1414 PolarHBondContact OD1-NH2 3.17Å; D1408-R1414 IonicContact OD2-CZ 3.14Å; D1408-R1414 IonicContact OD2-NE 3.9Å; D1408-R1414 IonicContact OD2-NH2 3.71Å; D1408-R1414 PolarHBondContact OD2-NH2 2.96Å; D1408-R1414 VanDerWaalsContact OD2-NH2 3.16Å; S1410-R1414 VanDerWaalsContact C-NH2 3.33Å; S1410-R1414 PolarHBondContact O-NE 3.37Å; S1410-R1414 PolarHBondContact O-NH2 3.44Å; K1411-R1414 HydrophobicContact CG-CB 4.05Å; K1411-R1414 PolarHBondContact O-N 3.48Å; E1412-R1414 PolarHBondContact O-N 3.46Å; R1414-D1419 IonicContact CZ-OD2 3.91Å; R1414-D1419 IonicContact NH1-OD1 3.84Å; R1414-D1419 IonicContact NH1-OD2 3.69Å; R1414-D1419 PolarHBondContact NH1-OD2 3.25Å; R1414-S1905 WeakPolarHBondContact O-CA 3.38Å; R1414-L1906 PolarHBondContact O-N 2.85Å | ||
| 1415 | H | 56.8 | Low | 69 | Low | 84 Ų | 84 | 26.8 Ų | 26.8 | 39% | 0.389 | 14% | 0.144 | S | C | . | . | trans | -71.5 | 166.1 | 175.9 | -22.4 | 87 | 0 | 0 | 0 | 112 | K1411 M1417 | K1411-H1415 WeakPolarHBondContact CE-O 3.47Å; H1415-M1417 VanDerWaalsContact C-N 3.26Å; H1415-M1417 PolarHBondContact O-N 3.01Å | ||
| 1416 | Y | 58.3 | Low | 68.9 | Low | 45 Ų | 45 | 24.9 Ų | 24.9 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -71.3 | -9.7 | 172.6 | -87.1 | -87.3 | 0 | 0 | 0 | 115.4 | F1390 L1906 | F1390-Y1416 AromaticContact CE1-CD1 3.96Å; F1390-Y1416 HydrophobicContact CE1-CD1 3.96Å; F1390-Y1416 HydrophobicContact CE1-CE1 4.5Å; F1390-Y1416 HydrophobicContact CZ-CD1 4.03Å; Y1416-L1906 HydrophobicContact CD1-CD1 4.43Å; Y1416-L1906 HydrophobicContact CD2-CG 4.48Å; Y1416-L1906 HydrophobicContact CE1-CD1 4.1Å; Y1416-L1906 HydrophobicContact CE2-CD1 4.23Å; Y1416-L1906 HydrophobicContact CE2-CD2 4.09Å; Y1416-L1906 HydrophobicContact CE2-CG 3.95Å |
| 1417 | M | 55 | Low | 68.5 | Low | 86 Ų | 86 | 26.8 Ų | 26.8 | 42% | 0.424 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -63 | 162.7 | -177.5 | -68.7 | -167.8 | 172.2 | 0 | 0 | 113.7 | K1411 H1415 D1419 T1902 | K1411-M1417 PolarHBondContact NZ-O 3.16Å; H1415-M1417 VanDerWaalsContact C-N 3.26Å; H1415-M1417 PolarHBondContact O-N 3.01Å; M1417-D1419 PolarHBondContact O-N 3.4Å; M1417-T1902 HydrophobicContact CE-CG2 3.69Å |
| 1418 | Q | 64.7 | Low | 67.7 | Low | 35 Ų | 35 | 31.3 Ų | 31.3 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 123.8 | 172.7 | -66.7 | -178.5 | 11.5 | 0 | 0 | 110.7 | E1387 C1437 D1804 | E1387-Q1418 HydrophobicContact CB-CB 4.5Å; E1387-Q1418 WeakPolarHBondContact O-CB 3.38Å; E1387-Q1418 VanDerWaalsContact O-CD 3.31Å; E1387-Q1418 WeakPolarHBondContact O-CG 3.38Å; E1387-Q1418 PolarHBondContact O-OE1 2.65Å; Q1418-C1437 PolarHBondContact O-SG 2.01Å; Q1418-C1437 VanDerWaalsContact O-SG 3.4Å; Q1418-D1804 PolarHBondContact NE2-OD2 2.89Å |
| 1419 | D | 74.4 | Confident | 67.1 | Low | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.9 | 176.3 | -68 | -62.5 | 0 | 0 | 0 | 111 | Y1386 E1387 K1411 R1414 M1417 A1434 | Y1386-D1419 CarbonylContact C-O 3.28Å; E1387-D1419 WeakPolarHBondContact CB-O 3.06Å; E1387-D1419 PolarHBondContact N-O 2.9Å; K1411-D1419 WeakPolarHBondContact CE-OD2 3.19Å; K1411-D1419 IonicContact NZ-OD2 3.87Å; K1411-D1419 PolarHBondContact NZ-OD2 3.23Å; R1414-D1419 IonicContact CZ-OD2 3.91Å; R1414-D1419 IonicContact NH1-OD1 3.84Å; R1414-D1419 IonicContact NH1-OD2 3.69Å; R1414-D1419 PolarHBondContact NH1-OD2 3.25Å; M1417-D1419 PolarHBondContact O-N 3.4Å; D1419-A1434 HydrophobicContact CB-CB 4.21Å |
| 1420 | C | 85.9 | Confident | 67 | Low | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 155.8 | 169.9 | -73.4 | 0 | 0 | 0 | 0 | 109.5 | W1339 W1382 M1435 C1437 | W1339-C1420 HydrophobicContact CB-CB 4.09Å; W1339-C1420 HydrophobicContact CD2-CB 4.37Å; W1339-C1420 VanDerWaalsContact CD2-SG 3.52Å; W1339-C1420 HydrophobicContact CG-CB 3.78Å; W1382-C1420 HydrophobicContact CE3-CB 4.45Å; W1382-C1420 HydrophobicContact CH2-CB 3.99Å; W1382-C1420 HydrophobicContact CZ3-CB 3.7Å; C1420-M1435 PolarHBondContact N-O 2.88Å; C1420-M1435 PolarHBondContact O-N 2.78Å; C1420-C1437 HydrophobicContact CB-CB 3.92Å; C1420-C1437 WeakPolarHBondContact CB-SG 3.34Å; C1420-C1437 PolarHBondContact N-SG 3.15Å; C1420-C1437 WeakPolarHBondContact SG-CB 3.35Å; C1420-C1437 CovalentContact SG-SG 2.04Å; C1420-C1437 PolarHBondContact SG-SG 2.69Å |
| 1421 | F | 88.6 | Confident | 67.3 | Low | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.7 | -172.6 | -70.9 | -104.2 | 0 | 0 | 0 | 113.5 | I1383 L1385 Y1392 D1408 I1409 W1432 K1433 A1434 | I1383-F1421 HydrophobicContact CD1-CB 4.15Å; I1383-F1421 HydrophobicContact CG1-CB 4.04Å; I1383-F1421 WeakPolarHBondContact CG1-O 3.46Å; I1383-F1421 PolarHBondContact N-O 3.17Å; I1383-F1421 VanDerWaalsContact N-O 3.12Å; L1385-F1421 HydrophobicContact CB-CB 4.09Å; L1385-F1421 HydrophobicContact CB-CD2 4.08Å; L1385-F1421 HydrophobicContact CB-CG 4.29Å; L1385-F1421 HydrophobicContact CD2-CB 4.28Å; L1385-F1421 HydrophobicContact CD2-CD1 4.11Å; L1385-F1421 HydrophobicContact CD2-CD2 3.62Å; L1385-F1421 HydrophobicContact CD2-CE1 4.35Å; L1385-F1421 HydrophobicContact CD2-CE2 3.92Å; L1385-F1421 HydrophobicContact CD2-CG 3.74Å; L1385-F1421 HydrophobicContact CD2-CZ 4.26Å; L1385-F1421 HydrophobicContact CG-CD2 3.71Å; L1385-F1421 HydrophobicContact CG-CE2 4.15Å; L1385-F1421 HydrophobicContact CG-CG 4.18Å; L1385-F1421 PolarHBondContact O-N 3.4Å; Y1392-F1421 AromaticContact CD1-CE2 3.66Å; Y1392-F1421 HydrophobicContact CD1-CE2 3.66Å; Y1392-F1421 HydrophobicContact CD1-CZ 4.16Å; Y1392-F1421 AromaticContact CE1-CE2 3.55Å; Y1392-F1421 HydrophobicContact CE1-CE2 3.55Å; Y1392-F1421 AromaticContact CE1-CZ 3.75Å; Y1392-F1421 HydrophobicContact CE1-CZ 3.75Å; Y1392-F1421 HydrophobicContact CG-CE2 4.46Å; Y1392-F1421 AromaticContact CZ-CZ 3.98Å; D1408-F1421 WeakPolarHBondContact O-CE1 3.28Å; I1409-F1421 HydrophobicContact CG2-CE1 4.41Å; I1409-F1421 HydrophobicContact CG2-CZ 4.29Å; F1421-W1432 HydrophobicContact CD1-CB 4.11Å; F1421-K1433 WeakPolarHBondContact CA-O 3.48Å; F1421-A1434 HydrophobicContact CD1-CB 4.46Å; F1421-A1434 HydrophobicContact CE1-CB 4.09Å; F1421-A1434 HydrophobicContact CZ-CB 4.24Å |
| 1422 | A | 88 | Confident | 68.1 | Low | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1381 W1382 W1432 K1433 M1435 | T1381-A1422 CarbonylContact O-C 3.23Å; T1381-A1422 WeakPolarHBondContact O-CA 3.33Å; W1382-A1422 HydrophobicContact CE3-CB 3.87Å; W1382-A1422 HydrophobicContact CZ3-CB 4.18Å; A1422-W1432 CarbonylContact O-C 3.57Å; A1422-K1433 PolarHBondContact N-O 3.45Å; A1422-K1433 PolarHBondContact O-N 3.33Å; A1422-M1435 HydrophobicContact CB-SD 4.03Å |
| 1423 | L | 87.2 | Confident | 69.1 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.9 | 164.1 | -58.3 | 179.5 | 0 | 0 | 0 | 108.7 | I1358 L1364 I1367 I1371 T1380 T1381 I1383 I1430 N1431 W1432 | I1358-L1423 HydrophobicContact CD1-CD1 4.46Å; I1358-L1423 HydrophobicContact CD1-CD2 4.41Å; L1364-L1423 HydrophobicContact CD1-CD2 4.28Å; I1367-L1423 HydrophobicContact CB-CD1 4.5Å; I1367-L1423 HydrophobicContact CG2-CD1 3.53Å; I1371-L1423 HydrophobicContact CD1-CB 4.3Å; I1371-L1423 HydrophobicContact CD1-CD1 3.79Å; T1380-L1423 CarbonylContact C-O 3.5Å; T1380-L1423 VanDerWaalsContact CA-O 3.3Å; T1380-L1423 WeakPolarHBondContact CA-O 3.23Å; T1381-L1423 PolarHBondContact N-O 2.89Å; T1381-L1423 PolarHBondContact O-N 3.14Å; I1383-L1423 HydrophobicContact CD1-CD2 4.05Å; I1383-L1423 HydrophobicContact CG2-CD1 3.76Å; I1383-L1423 HydrophobicContact CG2-CD2 4.17Å; I1383-L1423 HydrophobicContact CG2-CG 3.56Å; L1423-I1430 HydrophobicContact CB-CG2 3.74Å; L1423-I1430 HydrophobicContact CD1-CG2 4.4Å; L1423-I1430 HydrophobicContact CD2-CG2 3.78Å; L1423-I1430 HydrophobicContact CG-CG2 4.15Å; L1423-N1431 CarbonylContact C-O 3.46Å; L1423-N1431 WeakPolarHBondContact CA-O 3.48Å; L1423-W1432 HydrophobicContact CD2-CD2 4.45Å; L1423-W1432 HydrophobicContact CD2-CG 3.94Å |
| 1424 | D | 79 | Confident | 70.4 | Confident | 23 Ų | 23 | 32.4 Ų | 32.4 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.1 | 175.4 | -155.3 | 6.6 | 0 | 0 | 0 | 108 | T1380 N1431 K1433 | T1380-D1424 WeakPolarHBondContact CG2-OD1 3.36Å; D1424-N1431 PolarHBondContact N-O 3.47Å; D1424-N1431 PolarHBondContact O-N 2.88Å; D1424-K1433 HydrophobicContact CB-CB 4.27Å; D1424-K1433 HydrophobicContact CB-CD 4.41Å; D1424-K1433 WeakPolarHBondContact OD2-CD 3.2Å; D1424-K1433 WeakPolarHBondContact OD2-CE 3.37Å; D1424-K1433 IonicContact OD2-NZ 3.83Å; D1424-K1433 PolarHBondContact OD2-NZ 3.38Å |
| 1425 | S | 68 | Low | 71.3 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.9 | -173.9 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | H1372 M1378 S1429 | H1372-S1425 PolarHBondContact CE1-OG 3.3Å; M1378-S1425 WeakPolarHBondContact CB-O 3.32Å; S1425-S1429 WeakPolarHBondContact CA-O 3.37Å |
| 1426 | V | 59.6 | Low | 72.3 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 9% | 0.085 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 119.7 | -173.5 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | S1428 S1429 E2144 | V1426-S1428 VanDerWaalsContact C-N 3.34Å; V1426-S1428 PolarHBondContact O-N 3.17Å; V1426-S1429 PolarHBondContact N-O 2.73Å; V1426-S1429 WeakPolarHBondContact O-CA 3.27Å; V1426-S1429 WeakPolarHBondContact O-CB 3.33Å; V1426-S1429 PolarHBondContact O-N 3.13Å; V1426-S1429 PolarHBondContact O-OG 3.3Å; V1426-E2144 HydrophobicContact CG1-CB 3.95Å; V1426-E2144 HydrophobicContact CG1-CG 3.57Å; V1426-E2144 WeakPolarHBondContact CG1-OE1 3.29Å |
| 1427 | N | 52.3 | Low | 73.1 | Confident | 67 Ų | 67 | 28 Ų | 28 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 52 | 177.8 | -78 | -19.6 | 0 | 0 | 0 | 114.3 | S1429 A2143 E2144 D2145 | N1427-S1429 PolarHBondContact O-N 3.19Å; N1427-S1429 VanDerWaalsContact O-N 3.14Å; N1427-A2143 PolarHBondContact ND2-O 3.41Å; N1427-E2144 VanDerWaalsContact ND2-C 3.27Å; N1427-E2144 VanDerWaalsContact ND2-CA 3.35Å; N1427-E2144 WeakPolarHBondContact ND2-CA 3.31Å; N1427-D2145 PolarHBondContact ND2-N 3.07Å; N1427-D2145 PolarHBondContact OD1-N 3.32Å |
| 1428 | S | 53 | Low | 73.9 | Confident | 102 Ų | 102 | 29.7 Ų | 29.7 | 71% | 0.713 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 4.7 | -177.4 | -43.6 | 0 | 0 | 0 | 0 | 116.3 | V1426 | V1426-S1428 VanDerWaalsContact C-N 3.34Å; V1426-S1428 PolarHBondContact O-N 3.17Å |
| 1429 | S | 57.3 | Low | 74.3 | Confident | 39 Ų | 39 | 33.3 Ų | 33.3 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 153.1 | 167 | 75.7 | 0 | 0 | 0 | 0 | 110.3 | S1425 V1426 N1427 | S1425-S1429 WeakPolarHBondContact CA-O 3.37Å; V1426-S1429 PolarHBondContact N-O 2.73Å; V1426-S1429 WeakPolarHBondContact O-CA 3.27Å; V1426-S1429 WeakPolarHBondContact O-CB 3.33Å; V1426-S1429 PolarHBondContact O-N 3.13Å; V1426-S1429 PolarHBondContact O-OG 3.3Å; N1427-S1429 PolarHBondContact O-N 3.19Å; N1427-S1429 VanDerWaalsContact O-N 3.14Å |
| 1430 | I | 70.7 | Confident | 74.3 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.2 | 171.9 | -63.3 | -160.2 | 0 | 0 | 0 | 110.3 | L1364 T1368 I1371 S1406 L1423 | L1364-I1430 HydrophobicContact CD1-CG2 4.49Å; T1368-I1430 HydrophobicContact CG2-CD1 3.86Å; T1368-I1430 HydrophobicContact CG2-CG1 4.13Å; T1368-I1430 WeakPolarHBondContact OG1-CD1 3.34Å; I1371-I1430 HydrophobicContact CD1-CD1 3.84Å; S1406-I1430 PolarHBondContact OG-O 2.67Å; L1423-I1430 HydrophobicContact CB-CG2 3.74Å; L1423-I1430 HydrophobicContact CD1-CG2 4.4Å; L1423-I1430 HydrophobicContact CD2-CG2 3.78Å; L1423-I1430 HydrophobicContact CG-CG2 4.15Å |
| 1431 | N | 74.3 | Confident | 73.5 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.8 | 179.2 | -56.7 | -43.1 | 0 | 0 | 0 | 109.5 | S1406 L1423 D1424 V1582 | S1406-N1431 WeakPolarHBondContact CB-OD1 3.38Å; L1423-N1431 CarbonylContact C-O 3.46Å; L1423-N1431 WeakPolarHBondContact CA-O 3.48Å; D1424-N1431 PolarHBondContact N-O 3.47Å; D1424-N1431 PolarHBondContact O-N 2.88Å; N1431-V1582 VanDerWaalsContact OD1-CG1 3.29Å; N1431-V1582 WeakPolarHBondContact OD1-CG1 3.44Å |
| 1432 | W | 84.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 102.4 | 173.4 | -58.2 | 7.9 | 0 | 0 | 0 | 108.1 | I1358 L1364 I1383 L1385 W1394 Y1402 P1404 S1406 A1407 D1408 F1421 A1422 L1423 | I1358-W1432 HydrophobicContact CB-CH2 4Å; I1358-W1432 HydrophobicContact CB-CZ2 3.86Å; I1358-W1432 HydrophobicContact CD1-CZ2 3.85Å; I1358-W1432 HydrophobicContact CG1-CZ2 4.4Å; I1358-W1432 HydrophobicContact CG2-CH2 4.34Å; I1358-W1432 HydrophobicContact CG2-CZ2 3.9Å; L1364-W1432 HydrophobicContact CD1-CZ2 4.43Å; I1383-W1432 HydrophobicContact CD1-CD2 4.03Å; I1383-W1432 HydrophobicContact CD1-CE3 4.15Å; I1383-W1432 HydrophobicContact CD1-CG 4.41Å; L1385-W1432 HydrophobicContact CD2-CE3 3.85Å; L1385-W1432 HydrophobicContact CD2-CZ3 3.87Å; W1394-W1432 AromaticContact CH2-CH2 3.68Å; W1394-W1432 HydrophobicContact CH2-CH2 3.68Å; W1394-W1432 HydrophobicContact CH2-CZ2 4.5Å; W1394-W1432 AromaticContact CH2-CZ3 3.83Å; W1394-W1432 HydrophobicContact CH2-CZ3 3.83Å; W1394-W1432 AromaticContact CZ2-CH2 3.81Å; W1394-W1432 HydrophobicContact CZ2-CH2 3.81Å; W1394-W1432 AromaticContact CZ2-CZ3 3.99Å; W1394-W1432 HydrophobicContact CZ2-CZ3 3.99Å; Y1402-W1432 HydrophobicContact CD1-CH2 4.22Å; Y1402-W1432 HydrophobicContact CD1-CZ2 4.4Å; Y1402-W1432 HydrophobicContact CE1-CZ2 4.26Å; P1404-W1432 HydrophobicContact CG-CD2 3.64Å; P1404-W1432 VanDerWaalsContact CG-CE2 3.43Å; P1404-W1432 HydrophobicContact CG-CE3 4.19Å; P1404-W1432 HydrophobicContact CG-CG 3.95Å; P1404-W1432 HydrophobicContact CG-CH2 4.34Å; P1404-W1432 HydrophobicContact CG-CZ2 3.83Å; S1406-W1432 PolarHBondContact O-N 2.91Å; A1407-W1432 HydrophobicContact CB-CB 3.93Å; A1407-W1432 HydrophobicContact CB-CD2 4.39Å; A1407-W1432 HydrophobicContact CB-CE3 4.18Å; A1407-W1432 HydrophobicContact CB-CG 4.32Å; D1408-W1432 PolarHBondContact N-O 2.87Å; F1421-W1432 HydrophobicContact CD1-CB 4.11Å; A1422-W1432 CarbonylContact O-C 3.57Å; L1423-W1432 HydrophobicContact CD2-CD2 4.45Å; L1423-W1432 HydrophobicContact CD2-CG 3.94Å |
| 1433 | K | 81.8 | Confident | 72.7 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.6 | -176.3 | -166.1 | 178.7 | -140.8 | 154.5 | 0 | 109.9 | F1421 A1422 D1424 M1435 | F1421-K1433 WeakPolarHBondContact CA-O 3.48Å; A1422-K1433 PolarHBondContact N-O 3.45Å; A1422-K1433 PolarHBondContact O-N 3.33Å; D1424-K1433 HydrophobicContact CB-CB 4.27Å; D1424-K1433 HydrophobicContact CB-CD 4.41Å; D1424-K1433 WeakPolarHBondContact OD2-CD 3.2Å; D1424-K1433 WeakPolarHBondContact OD2-CE 3.37Å; D1424-K1433 IonicContact OD2-NZ 3.83Å; D1424-K1433 PolarHBondContact OD2-NZ 3.38Å; K1433-M1435 HydrophobicContact CD-CG 4.47Å; K1433-M1435 HydrophobicContact CD-SD 4.24Å; K1433-M1435 HydrophobicContact CG-CG 4.32Å |
| 1434 | A | 80.6 | Confident | 72.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1408 D1419 F1421 | D1408-A1434 HydrophobicContact CB-CB 4.41Å; D1419-A1434 HydrophobicContact CB-CB 4.21Å; F1421-A1434 HydrophobicContact CD1-CB 4.46Å; F1421-A1434 HydrophobicContact CE1-CB 4.09Å; F1421-A1434 HydrophobicContact CZ-CB 4.24Å |
| 1435 | M | 78.2 | Confident | 73.5 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.069 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146 | -177.9 | -73.6 | 174.8 | 47.1 | 0 | 0 | 109.7 | W1382 C1420 A1422 K1433 C1437 K1439 | W1382-M1435 HydrophobicContact CH2-CB 3.8Å; W1382-M1435 HydrophobicContact CH2-CE 4.2Å; W1382-M1435 HydrophobicContact CZ2-CE 4.42Å; W1382-M1435 HydrophobicContact CZ3-CB 4.11Å; C1420-M1435 PolarHBondContact N-O 2.88Å; C1420-M1435 PolarHBondContact O-N 2.78Å; A1422-M1435 HydrophobicContact CB-SD 4.03Å; K1433-M1435 HydrophobicContact CD-CG 4.47Å; K1433-M1435 HydrophobicContact CD-SD 4.24Å; K1433-M1435 HydrophobicContact CG-CG 4.32Å; M1435-C1437 PolarHBondContact O-N 2.89Å; M1435-K1439 HydrophobicContact CE-CD 3.94Å; M1435-K1439 HydrophobicContact CE-CG 4.28Å |
| 1436 | P | 76.3 | Confident | 74.6 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 129.4 | 173.3 | -26.2 | 35.4 | 0 | 0 | 0 | 111.2 | N1438 K1439 | P1436-N1438 WeakPolarHBondContact CB-OD1 3.44Å; P1436-N1438 PolarHBondContact O-N 2.91Å; P1436-K1439 WeakPolarHBondContact O-CB 3.47Å; P1436-K1439 PolarHBondContact O-N 2.89Å |
| 1437 | C | 75.8 | Confident | 76 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.8 | -173.4 | -63.6 | 0 | 0 | 0 | 0 | 114.8 | W1339 Q1418 C1420 M1435 | W1339-C1437 HydrophobicContact CB-CB 4.48Å; W1339-C1437 PolarHBondContact N-O 3.05Å; Q1418-C1437 PolarHBondContact O-SG 2.01Å; Q1418-C1437 VanDerWaalsContact O-SG 3.4Å; C1420-C1437 HydrophobicContact CB-CB 3.92Å; C1420-C1437 WeakPolarHBondContact CB-SG 3.34Å; C1420-C1437 PolarHBondContact N-SG 3.15Å; C1420-C1437 WeakPolarHBondContact SG-CB 3.35Å; C1420-C1437 CovalentContact SG-SG 2.04Å; C1420-C1437 PolarHBondContact SG-SG 2.69Å; M1435-C1437 PolarHBondContact O-N 2.89Å |
| 1438 | N | 72.4 | Confident | 77.7 | Confident | 121 Ų | 121 | 37.8 Ų | 37.8 | 65% | 0.647 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.3 | 179.2 | 64.3 | -8.1 | 0 | 0 | 0 | 114.4 | P1436 | P1436-N1438 WeakPolarHBondContact CB-OD1 3.44Å; P1436-N1438 PolarHBondContact O-N 2.91Å |
| 1439 | K | 73.6 | Confident | 79 | Confident | 110 Ų | 110 | 34.8 Ų | 34.8 | 48% | 0.478 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -78.7 | 141.4 | 175.2 | -176.1 | 173.7 | 172.4 | -177.4 | 0 | 109.2 | W1382 M1435 P1436 | W1382-K1439 VanDerWaalsContact CZ2-O 3.28Å; W1382-K1439 WeakPolarHBondContact CZ2-O 3.36Å; M1435-K1439 HydrophobicContact CE-CD 3.94Å; M1435-K1439 HydrophobicContact CE-CG 4.28Å; P1436-K1439 WeakPolarHBondContact O-CB 3.47Å; P1436-K1439 PolarHBondContact O-N 2.89Å |
| 1440 | P | 73.9 | Confident | 79.5 | Confident | 78 Ų | 78 | 33.7 Ų | 33.7 | 51% | 0.506 | 18% | 0.178 | S | C | . | . | trans | -73.9 | 143.4 | 171.2 | 28.4 | -33.2 | 0 | 0 | 0 | 111.9 | I1337 | I1337-P1440 VanDerWaalsContact O-CA 3.32Å; I1337-P1440 WeakPolarHBondContact O-CA 3.42Å | ||
| 1441 | S | 69.7 | Low | 78.9 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 156.3 | 166.3 | -170.8 | 0 | 0 | 0 | 0 | 110 | A1336 I1337 T1380 W1382 S1443 | A1336-S1441 WeakPolarHBondContact CA-O 3.5Å; I1337-S1441 PolarHBondContact N-O 3.17Å; I1337-S1441 PolarHBondContact O-N 3.36Å; T1380-S1441 PolarHBondContact O-OG 2.9Å; T1380-S1441 PolarHBondContact OG1-OG 3.28Å; W1382-S1441 VanDerWaalsContact NE1-CB 3.32Å; S1441-S1443 VanDerWaalsContact C-N 3.32Å; S1441-S1443 PolarHBondContact O-N 3.07Å |
| 1442 | L | 74.8 | Confident | 77.6 | Confident | 108 Ų | 108 | 41 Ų | 41 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -73 | -20.6 | -173.7 | -65.7 | 173.5 | 0 | 0 | 0 | 114.4 | N1334 | N1334-L1442 CarbonylContact C-O 3.52Å; N1334-L1442 WeakPolarHBondContact CA-O 3Å |
| 1443 | S | 84.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 169.1 | -178 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | L1333 T1380 T1381 W1382 S1441 | L1333-S1443 CarbonylContact O-C 3.57Å; L1333-S1443 WeakPolarHBondContact O-CA 3.42Å; L1333-S1443 WeakPolarHBondContact O-CB 3.03Å; T1380-S1443 PolarHBondContact O-N 2.94Å; T1380-S1443 PolarHBondContact O-OG 2.68Å; T1381-S1443 CarbonylContact C-O 3.41Å; T1381-S1443 VanDerWaalsContact CA-O 3.28Å; T1381-S1443 WeakPolarHBondContact CA-O 3.42Å; T1381-S1443 WeakPolarHBondContact CA-OG 3.33Å; T1381-S1443 WeakPolarHBondContact CB-OG 3.35Å; T1381-S1443 PolarHBondContact OG1-OG 2.72Å; W1382-S1443 PolarHBondContact N-O 3.19Å; S1441-S1443 VanDerWaalsContact C-N 3.32Å; S1441-S1443 PolarHBondContact O-N 3.07Å |
| 1444 | F | 91.1 | Very high | 72.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160.1 | 175.8 | 63.1 | -75.6 | 0 | 0 | 0 | 111.9 | L1333 D1335 I1337 A1342 I1345 L1355 W1382 | L1333-F1444 HydrophobicContact CB-CD1 3.91Å; L1333-F1444 HydrophobicContact CB-CD2 4.27Å; L1333-F1444 HydrophobicContact CB-CE1 3.59Å; L1333-F1444 HydrophobicContact CB-CE2 4.01Å; L1333-F1444 HydrophobicContact CB-CG 4.22Å; L1333-F1444 HydrophobicContact CB-CZ 3.65Å; L1333-F1444 HydrophobicContact CD1-CD2 4.04Å; L1333-F1444 HydrophobicContact CD1-CE2 3.46Å; L1333-F1444 VanDerWaalsContact CD1-CE2 3.46Å; L1333-F1444 HydrophobicContact CD1-CZ 3.73Å; L1333-F1444 HydrophobicContact CG-CE2 4.37Å; L1333-F1444 HydrophobicContact CG-CZ 4.32Å; L1333-F1444 PolarHBondContact N-O 2.62Å; L1333-F1444 PolarHBondContact O-N 2.56Å; D1335-F1444 HydrophobicContact CB-CE1 4.17Å; I1337-F1444 HydrophobicContact CD1-CD1 4.04Å; I1337-F1444 HydrophobicContact CD1-CE1 3.56Å; I1337-F1444 HydrophobicContact CD1-CZ 3.89Å; I1337-F1444 HydrophobicContact CG1-CD1 4.37Å; I1337-F1444 HydrophobicContact CG1-CE1 4.26Å; A1342-F1444 HydrophobicContact CB-CB 4.26Å; A1342-F1444 HydrophobicContact CB-CD1 4.43Å; A1342-F1444 HydrophobicContact CB-CD2 4.02Å; A1342-F1444 HydrophobicContact CB-CE2 4.45Å; A1342-F1444 HydrophobicContact CB-CG 4.01Å; I1345-F1444 HydrophobicContact CB-CE2 4.21Å; I1345-F1444 HydrophobicContact CB-CZ 4.23Å; I1345-F1444 HydrophobicContact CD1-CZ 4.28Å; I1345-F1444 HydrophobicContact CG2-CE2 3.91Å; I1345-F1444 HydrophobicContact CG2-CZ 3.82Å; L1355-F1444 HydrophobicContact CD2-CB 3.86Å; L1355-F1444 HydrophobicContact CD2-CD2 3.99Å; L1355-F1444 HydrophobicContact CD2-CG 4.38Å; W1382-F1444 HydrophobicContact CB-CB 3.84Å |
| 1445 | I | 90.2 | Very high | 70.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -129.8 | 132.8 | 175.4 | -65.7 | 170.1 | 0 | 0 | 0 | 109.2 | L1332 V1356 I1367 I1370 I1371 T1381 | L1332-I1445 HydrophobicContact CD1-CD1 3.97Å; L1332-I1445 HydrophobicContact CD1-CG1 3.77Å; V1356-I1445 HydrophobicContact CB-CG2 4.3Å; V1356-I1445 HydrophobicContact CG1-CB 4.06Å; V1356-I1445 HydrophobicContact CG1-CG2 4.15Å; V1356-I1445 PolarHBondContact N-O 2.77Å; I1367-I1445 HydrophobicContact CG2-CD1 3.78Å; I1370-I1445 HydrophobicContact CB-CD1 4.48Å; I1370-I1445 HydrophobicContact CG2-CD1 3.98Å; I1371-I1445 HydrophobicContact CD1-CD1 4.38Å; I1371-I1445 HydrophobicContact CG1-CD1 3.95Å; T1381-I1445 HydrophobicContact CG2-CB 4.5Å; T1381-I1445 HydrophobicContact CG2-CD1 4Å; T1381-I1445 HydrophobicContact CG2-CG1 3.85Å | ||
| 1446 | C | 91.4 | Very high | 68.1 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.6 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | F1318 Y1329 S1330 C1346 M1349 H1354 | F1318-C1446 HydrophobicContact CE1-CB 3.84Å; F1318-C1446 HydrophobicContact CZ-CB 4.36Å; Y1329-C1446 WeakPolarHBondContact CA-O 3.35Å; S1330-C1446 PolarHBondContact N-O 2.82Å; S1330-C1446 PolarHBondContact OG-N 3.48Å; C1346-C1446 WeakPolarHBondContact CA-SG 3.45Å; C1346-C1446 HydrophobicContact CB-CB 3.75Å; C1346-C1446 WeakPolarHBondContact CB-SG 3.49Å; C1346-C1446 WeakPolarHBondContact SG-CB 3.35Å; C1346-C1446 CovalentContact SG-SG 2.04Å; C1346-C1446 PolarHBondContact SG-SG 3.15Å; M1349-C1446 HydrophobicContact CE-CB 4.05Å; M1349-C1446 WeakPolarHBondContact CE-SG 3.35Å; H1354-C1446 CarbonylContact O-C 3.54Å; H1354-C1446 WeakPolarHBondContact O-CA 3.45Å |
| 1447 | R | 89.5 | Confident | 66 | Low | 11 Ų | 11 | 63.3 Ų | 63.3 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.7 | 172.4 | 173 | 171.5 | 148.9 | -159 | -28.5 | 110 | Y1329 A1353 H1354 V1356 S1357 H1359 E1363 D1396 N1449 | Y1329-R1447 HydrophobicContact CD1-CB 3.97Å; Y1329-R1447 HydrophobicContact CD1-CG 4.2Å; Y1329-R1447 HydrophobicContact CE1-CB 4.07Å; Y1329-R1447 HydrophobicContact CE1-CG 3.92Å; A1353-R1447 VanDerWaalsContact CA-O 3.29Å; A1353-R1447 WeakPolarHBondContact CA-O 3.22Å; H1354-R1447 PolarHBondContact N-O 3.43Å; H1354-R1447 VanDerWaalsContact N-O 3.1Å; H1354-R1447 PolarHBondContact O-N 3.17Å; V1356-R1447 HydrophobicContact CB-CB 4.12Å; V1356-R1447 HydrophobicContact CG2-CB 4.06Å; S1357-R1447 PolarHBondContact O-NH1 3.4Å; S1357-R1447 PolarHBondContact OG-NH1 3.46Å; S1357-R1447 PolarHBondContact OG-NH2 3.35Å; H1359-R1447 PolarHBondContact CD2-NH1 3.25Å; H1359-R1447 VanDerWaalsContact CD2-NH1 3.25Å; H1359-R1447 PolarHBondContact NE2-NH1 3.35Å; E1363-R1447 IonicContact OE1-CZ 2.68Å; E1363-R1447 IonicContact OE1-NH1 3.18Å; E1363-R1447 PolarHBondContact OE1-NH1 3.16Å; E1363-R1447 IonicContact OE2-NH1 2.88Å; D1396-R1447 IonicContact OD2-NH2 2.66Å; R1447-N1449 PolarHBondContact NE-OD1 3.25Å; R1447-N1449 PolarHBondContact NH2-OD1 3.49Å; R1447-N1449 VanDerWaalsContact NH2-OD1 3.1Å |
| 1448 | L | 87.7 | Confident | 63.7 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.4 | 172.6 | 171.2 | 58 | 0 | 0 | 0 | 109.6 | F1318 Y1327 C1328 H1350 N1352 A1353 L1450 | F1318-L1448 HydrophobicContact CB-CD2 4.3Å; F1318-L1448 HydrophobicContact CD1-CB 3.74Å; F1318-L1448 HydrophobicContact CD2-CB 4.31Å; F1318-L1448 HydrophobicContact CD2-CD2 3.78Å; F1318-L1448 HydrophobicContact CE1-CB 3.89Å; F1318-L1448 HydrophobicContact CE2-CB 4.45Å; F1318-L1448 HydrophobicContact CE2-CD2 4.26Å; F1318-L1448 HydrophobicContact CG-CB 3.98Å; F1318-L1448 HydrophobicContact CG-CD2 3.98Å; F1318-L1448 HydrophobicContact CZ-CB 4.27Å; Y1327-L1448 CarbonylContact C-O 3.49Å; Y1327-L1448 WeakPolarHBondContact CA-O 3.32Å; Y1327-L1448 WeakPolarHBondContact CB-O 3.48Å; C1328-L1448 PolarHBondContact N-O 2.92Å; C1328-L1448 PolarHBondContact O-N 2.03Å; H1350-L1448 HydrophobicContact CB-CD1 4.27Å; H1350-L1448 WeakPolarHBondContact ND1-CD1 3.34Å; N1352-L1448 HydrophobicContact CB-CD1 4.15Å; A1353-L1448 HydrophobicContact CB-CB 4.28Å; A1353-L1448 HydrophobicContact CB-CD1 4.35Å; L1448-L1450 HydrophobicContact CD2-CD2 4.44Å; L1448-L1450 HydrophobicContact CG-CD2 4.47Å; L1448-L1450 PolarHBondContact O-N 3.13Å |
| 1449 | N | 80.1 | Confident | 61.9 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112.9 | 175.4 | -65.6 | -52.3 | 0 | 0 | 0 | 110 | R1447 | R1447-N1449 PolarHBondContact NE-OD1 3.25Å; R1447-N1449 PolarHBondContact NH2-OD1 3.49Å; R1447-N1449 VanDerWaalsContact NH2-OD1 3.1Å |
| 1450 | L | 69.5 | Low | 60.2 | Low | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -74.1 | -39.7 | -173.5 | -67.9 | 178.7 | 0 | 0 | 0 | 113.5 | T1311 P1326 C1328 L1448 P1452 | T1311-L1450 WeakPolarHBondContact O-CD1 3.19Å; T1311-L1450 VanDerWaalsContact O-CD2 3.25Å; T1311-L1450 WeakPolarHBondContact O-CD2 3.44Å; P1326-L1450 VanDerWaalsContact O-CB 3.29Å; P1326-L1450 WeakPolarHBondContact O-CB 3.32Å; P1326-L1450 PolarHBondContact O-N 3.16Å; C1328-L1450 VanDerWaalsContact SG-CD2 3.51Å; L1448-L1450 HydrophobicContact CD2-CD2 4.44Å; L1448-L1450 HydrophobicContact CG-CD2 4.47Å; L1448-L1450 PolarHBondContact O-N 3.13Å; L1450-P1452 WeakPolarHBondContact O-CD 3.11Å |
| 1451 | N | 57.6 | Low | 58 | Low | 108 Ų | 108 | 72.1 Ų | 72.1 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | trans | -108 | 89.8 | 177 | -77 | -10.8 | 0 | 0 | 0 | 109.4 | P1326 S1453 | P1326-N1451 HydrophobicContact CB-CB 4.17Å; P1326-N1451 HydrophobicContact CG-CB 4.3Å; N1451-S1453 PolarHBondContact O-N 3.07Å | ||
| 1452 | P | 45.7 | Very low | 56.2 | Low | 88 Ų | 88 | 78.3 Ų | 78.3 | 57% | 0.571 | 46% | 0.457 | S | S | * | . | trans | -69.4 | 81.7 | 166.6 | 30 | -34.2 | 0 | 0 | 0 | 109.2 | L1450 | L1450-P1452 WeakPolarHBondContact O-CD 3.11Š| ||
| 1453 | S | 32.9 | Very low | 54.3 | Low | 100 Ų | 100 | 80 Ų | 80 | 70% | 0.699 | 47% | 0.466 | S | S | * | . | trans | -117.4 | 25.1 | 173.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | N1451 T1455 | N1451-S1453 PolarHBondContact O-N 3.07Å; S1453-T1455 PolarHBondContact O-N 3.28Å; S1453-T1455 VanDerWaalsContact O-N 3.17Å | ||
| 1454 | T | 36.1 | Very low | 52 | Low | 134 Ų | 134 | 84.6 Ų | 84.6 | 82% | 0.822 | 50% | 0.499 | S | S | * | . | trans | -69.7 | 98.2 | 149.8 | 29.1 | 0 | 0 | 0 | 0 | 108.1 | L1456 | T1454-L1456 PolarHBondContact O-N 3.24Š| ||
| 1455 | T | 27.7 | Very low | 49.8 | Very low | 119 Ų | 119 | 90.3 Ų | 90.3 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | trans | -45 | 130.5 | 166.3 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | S1453 P1457 | S1453-T1455 PolarHBondContact O-N 3.28Å; S1453-T1455 VanDerWaalsContact O-N 3.17Å; T1455-P1457 WeakPolarHBondContact O-CD 3.03Å | ||
| 1456 | L | 30.1 | Very low | 47.9 | Very low | 161 Ų | 161 | 94.2 Ų | 94.2 | 84% | 0.843 | 55% | 0.548 | S | S | * | . | trans | -48.7 | 124.4 | 143.9 | -81 | 161.7 | 0 | 0 | 0 | 106.5 | T1454 D1458 | T1454-L1456 PolarHBondContact O-N 3.24Å; L1456-D1458 PolarHBondContact O-N 2.69Å | ||
| 1457 | P | 31.7 | Very low | 46.3 | Very low | 112 Ų | 112 | 97.6 Ų | 97.6 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -57 | 114 | 174.3 | -23.7 | 34.2 | 0 | 0 | 0 | 108.1 | T1455 L1459 | T1455-P1457 WeakPolarHBondContact O-CD 3.03Å; P1457-L1459 PolarHBondContact O-N 3.2Å | ||
| 1458 | D | 26.9 | Very low | 45.1 | Very low | 115 Ų | 115 | 98.5 Ų | 98.5 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | trans | -65.2 | 108.8 | -174.9 | -166.9 | -28.1 | 0 | 0 | 0 | 108.2 | L1456 T1460 | L1456-D1458 PolarHBondContact O-N 2.69Å; D1458-T1460 PolarHBondContact O-N 3.35Å; D1458-T1460 WeakPolarHBondContact OD1-CB 2.96Å; D1458-T1460 WeakPolarHBondContact OD1-CG2 3.05Å; D1458-T1460 PolarHBondContact OD1-OG1 2.56Å | ||
| 1459 | L | 36.1 | Very low | 44.1 | Very low | 171 Ų | 171 | 104 Ų | 104 | 90% | 0.895 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 38.8 | -167 | -158.7 | 82 | 0 | 0 | 0 | 111.9 | P1457 | P1457-L1459 PolarHBondContact O-N 3.2Š|
| 1460 | T | 37.4 | Very low | 44 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | -23.7 | -170.3 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | D1458 V1462 | D1458-T1460 PolarHBondContact O-N 3.35Å; D1458-T1460 WeakPolarHBondContact OD1-CB 2.96Å; D1458-T1460 WeakPolarHBondContact OD1-CG2 3.05Å; D1458-T1460 PolarHBondContact OD1-OG1 2.56Å; T1460-V1462 PolarHBondContact O-N 3.35Å |
| 1461 | T | 27.8 | Very low | 44.5 | Very low | 121 Ų | 121 | 103 Ų | 103 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | trans | -84.1 | 78.1 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | D1463 | T1461-D1463 PolarHBondContact O-N 2.87Š| ||
| 1462 | V | 31.3 | Very low | 45.1 | Very low | 133 Ų | 133 | 102.1 Ų | 102.1 | 81% | 0.806 | 60% | 0.6 | S | S | * | * | trans | -73.3 | 75.2 | 170.3 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | T1460 | T1460-V1462 PolarHBondContact O-N 3.35Š| ||
| 1463 | D | 35 | Very low | 46.2 | Very low | 142 Ų | 142 | 100.5 Ų | 100.5 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | trans | -74.2 | 134.6 | 172.1 | -141.6 | -16.5 | 0 | 0 | 0 | 109.5 | T1461 L1465 | T1461-D1463 PolarHBondContact O-N 2.87Å; D1463-L1465 PolarHBondContact O-N 3.45Å | ||
| 1464 | S | 37.2 | Very low | 48.5 | Very low | 98 Ų | 98 | 96.2 Ų | 96.2 | 69% | 0.685 | 57% | 0.568 | S | S | * | * | trans | -78.7 | 94.4 | -162.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | I1466 | S1464-I1466 PolarHBondContact O-N 3.36Š| ||
| 1465 | L | 44.7 | Very low | 50.6 | Low | 119 Ų | 119 | 93.4 Ų | 93.4 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | trans | -53.2 | 115 | -179.6 | -102.3 | 71.9 | 0 | 0 | 0 | 111.8 | D1463 Y1467 | D1463-L1465 PolarHBondContact O-N 3.45Å; L1465-Y1467 HydrophobicContact CB-CE1 4.2Å; L1465-Y1467 HydrophobicContact CB-CE2 4.37Å; L1465-Y1467 HydrophobicContact CD2-CE1 4.37Å; L1465-Y1467 WeakPolarHBondContact O-CD2 3.45Å; L1465-Y1467 WeakPolarHBondContact O-CE2 3.23Å; L1465-Y1467 PolarHBondContact O-N 3.15Å | ||
| 1466 | I | 50 | Low | 53.1 | Low | 82 Ų | 82 | 89.5 Ų | 89.5 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | trans | -87.9 | 108 | 176.5 | -58.2 | -179.9 | 0 | 0 | 0 | 108.5 | S1464 P1468 | S1464-I1466 PolarHBondContact O-N 3.36Å; I1466-P1468 WeakPolarHBondContact O-CD 3.47Å | ||
| 1467 | Y | 57.5 | Low | 55.6 | Low | 71 Ų | 71 | 82 Ų | 82 | 28% | 0.278 | 48% | 0.476 | S | S | . | . | trans | -76.6 | 121.3 | -178.8 | -55.6 | -76.5 | 0 | 0 | 0 | 111.6 | L1465 F1476 D1732 A1733 | L1465-Y1467 HydrophobicContact CB-CE1 4.2Å; L1465-Y1467 HydrophobicContact CB-CE2 4.37Å; L1465-Y1467 HydrophobicContact CD2-CE1 4.37Å; L1465-Y1467 WeakPolarHBondContact O-CD2 3.45Å; L1465-Y1467 WeakPolarHBondContact O-CE2 3.23Å; L1465-Y1467 PolarHBondContact O-N 3.15Å; Y1467-F1476 AromaticContact CD1-CE1 3.71Å; Y1467-F1476 HydrophobicContact CD1-CE1 3.71Å; Y1467-F1476 AromaticContact CD1-CZ 3.89Å; Y1467-F1476 HydrophobicContact CD1-CZ 3.89Å; Y1467-D1732 HydrophobicContact CD2-CB 3.96Å; Y1467-D1732 HydrophobicContact CE2-CB 3.25Å; Y1467-A1733 HydrophobicContact CD1-CB 3.83Å; Y1467-A1733 HydrophobicContact CE1-CB 3.73Å | ||
| 1468 | P | 64.7 | Low | 57.8 | Low | 30 Ų | 30 | 81.1 Ų | 81.1 | 20% | 0.195 | 46% | 0.458 | C | S | . | . | trans | -74.1 | 132.5 | -176.9 | 30.2 | -36.8 | 0 | 0 | 0 | 112.5 | I1466 C1470 F1476 F1508 P1631 | I1466-P1468 WeakPolarHBondContact O-CD 3.47Å; P1468-C1470 PolarHBondContact O-N 3.42Å; P1468-C1470 VanDerWaalsContact O-N 3.17Å; P1468-F1476 VanDerWaalsContact CD-CE2 3.46Å; P1468-F1476 HydrophobicContact CG-CD2 4.01Å; P1468-F1476 HydrophobicContact CG-CE2 3.5Å; P1468-F1476 VanDerWaalsContact CG-CE2 3.5Å; P1468-F1476 HydrophobicContact CG-CZ 4.36Å; P1468-F1508 HydrophobicContact CB-CE1 4.07Å; P1468-F1508 HydrophobicContact CB-CZ 3.97Å; P1468-P1631 HydrophobicContact CB-CG 3.73Å; P1468-P1631 HydrophobicContact CG-CG 3.77Å | ||
| 1469 | T | 66.9 | Low | 60.3 | Low | 123 Ų | 123 | 78 Ų | 78 | 76% | 0.755 | 44% | 0.442 | S | S | * | . | trans | -73.3 | 105.6 | 173.6 | -47.8 | 0 | 0 | 0 | 0 | 110.4 | F1508 | T1469-F1508 WeakPolarHBondContact O-CE2 3.39Å; T1469-F1508 VanDerWaalsContact O-CZ 3.25Å; T1469-F1508 WeakPolarHBondContact O-CZ 3.43Å | ||
| 1470 | C | 77.6 | Confident | 62.7 | Low | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.203 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 153.2 | -174.9 | -63.5 | 0 | 0 | 0 | 0 | 114.6 | P1468 F1474 F1476 C1481 | P1468-C1470 PolarHBondContact O-N 3.42Å; P1468-C1470 VanDerWaalsContact O-N 3.17Å; C1470-F1474 HydrophobicContact CB-CB 4.16Å; C1470-F1476 VanDerWaalsContact SG-CA 3.59Å; C1470-F1476 VanDerWaalsContact SG-CB 3.56Å; C1470-C1481 WeakPolarHBondContact CA-SG 3.35Å; C1470-C1481 HydrophobicContact CB-CB 3.66Å; C1470-C1481 WeakPolarHBondContact CB-SG 3.11Å; C1470-C1481 WeakPolarHBondContact SG-CB 3.31Å; C1470-C1481 CovalentContact SG-SG 2.03Å; C1470-C1481 PolarHBondContact SG-SG 3.21Å |
| 1471 | P | 78.9 | Confident | 65.1 | Low | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 149.7 | 167.7 | -23 | 34 | 0 | 0 | 0 | 112.4 | G1473 F1474 Y1505 F1508 A1629 | P1471-G1473 PolarHBondContact O-N 2.76Å; P1471-F1474 HydrophobicContact CB-CD2 3.81Å; P1471-F1474 HydrophobicContact CB-CE2 4.27Å; P1471-F1474 HydrophobicContact CB-CG 4.39Å; P1471-F1474 HydrophobicContact CG-CD2 4.35Å; P1471-F1474 WeakPolarHBondContact O-CB 3.45Å; P1471-F1474 PolarHBondContact O-N 2.79Å; P1471-Y1505 HydrophobicContact CB-CD1 4.2Å; P1471-Y1505 HydrophobicContact CB-CD2 3.79Å; P1471-Y1505 HydrophobicContact CB-CE1 4.34Å; P1471-Y1505 HydrophobicContact CB-CE2 3.95Å; P1471-Y1505 HydrophobicContact CB-CG 3.93Å; P1471-Y1505 HydrophobicContact CG-CD2 4.1Å; P1471-Y1505 HydrophobicContact CG-CG 4Å; P1471-F1508 HydrophobicContact CG-CD2 4.17Å; P1471-F1508 HydrophobicContact CG-CE2 4.35Å; P1471-F1508 HydrophobicContact CG-CG 4.46Å; P1471-A1629 HydrophobicContact CG-CB 4.23Å |
| 1472 | P | 70.5 | Confident | 68.1 | Low | 91 Ų | 91 | 59.4 Ų | 59.4 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 129.4 | 175.6 | -26.3 | 35 | 0 | 0 | 0 | 112.6 | Y1505 | P1472-Y1505 WeakPolarHBondContact CD-OH 3.38Å; P1472-Y1505 HydrophobicContact CG-CE1 4.39Å |
| 1473 | G | 69.9 | Low | 70.7 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -25.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1471 Q1483 | P1471-G1473 PolarHBondContact O-N 2.76Å; G1473-Q1483 VanDerWaalsContact CA-OE1 3.32Å; G1473-Q1483 PolarHBondContact O-OE1 3.49Å |
| 1474 | F | 80.7 | Confident | 73.2 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 142 | 176.6 | -67.7 | -115.3 | 0 | 0 | 0 | 111.2 | C1470 P1471 C1481 F1482 Q1483 I1501 V1502 C1627 A1629 | C1470-F1474 HydrophobicContact CB-CB 4.16Å; P1471-F1474 HydrophobicContact CB-CD2 3.81Å; P1471-F1474 HydrophobicContact CB-CE2 4.27Å; P1471-F1474 HydrophobicContact CB-CG 4.39Å; P1471-F1474 HydrophobicContact CG-CD2 4.35Å; P1471-F1474 WeakPolarHBondContact O-CB 3.45Å; P1471-F1474 PolarHBondContact O-N 2.79Å; F1474-C1481 HydrophobicContact CB-CB 3.88Å; F1474-C1481 HydrophobicContact CD1-CB 4.27Å; F1474-C1481 HydrophobicContact CG-CB 4.48Å; F1474-F1482 CarbonylContact C-O 3.51Å; F1474-F1482 VanDerWaalsContact CA-O 3.31Å; F1474-F1482 WeakPolarHBondContact CA-O 3.25Å; F1474-Q1483 HydrophobicContact CB-CB 4.36Å; F1474-Q1483 HydrophobicContact CD1-CB 3.72Å; F1474-Q1483 HydrophobicContact CD2-CB 3.89Å; F1474-Q1483 HydrophobicContact CE1-CB 3.88Å; F1474-Q1483 HydrophobicContact CE2-CB 4.04Å; F1474-Q1483 VanDerWaalsContact CE2-OE1 3.27Å; F1474-Q1483 HydrophobicContact CG-CB 3.71Å; F1474-Q1483 HydrophobicContact CZ-CB 4.03Å; F1474-I1501 HydrophobicContact CE2-CG2 3.65Å; F1474-I1501 HydrophobicContact CZ-CG2 3.82Å; F1474-V1502 HydrophobicContact CE1-CG2 4.09Å; F1474-V1502 HydrophobicContact CE2-CG2 4.43Å; F1474-V1502 HydrophobicContact CZ-CG2 3.67Å; F1474-C1627 HydrophobicContact CE1-CB 4.03Å; F1474-C1627 HydrophobicContact CZ-CB 4.24Å; F1474-A1629 HydrophobicContact CD1-CB 3.92Å; F1474-A1629 HydrophobicContact CE1-CB 3.84Å |
| 1475 | R | 79.6 | Confident | 75.5 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.7 | 173.5 | -62.7 | -59.2 | -164.3 | -153.8 | 1.8 | 110.3 | C1481 F1482 F1523 E1649 | R1475-C1481 CarbonylContact O-C 3.57Å; R1475-C1481 WeakPolarHBondContact O-CA 3.45Å; R1475-F1482 PolarHBondContact N-O 2.84Å; R1475-F1482 PolarHBondContact O-N 3.42Å; R1475-F1523 HydrophobicContact CB-CZ 4.03Å; R1475-E1649 IonicContact CZ-OE1 2.99Å; R1475-E1649 IonicContact NH1-OE1 2.64Å; R1475-E1649 PolarHBondContact NH1-OE1 2.74Å; R1475-E1649 IonicContact NH2-OE1 2.75Å; R1475-E1649 PolarHBondContact NH2-OE1 3.5Å; R1475-E1649 VanDerWaalsContact NH2-OE1 3.14Å |
| 1476 | F | 80.7 | Confident | 77.2 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.7 | -178.2 | -178.6 | -114.9 | 0 | 0 | 0 | 112.8 | Y1467 P1468 C1470 R1478 R1480 A1733 | Y1467-F1476 AromaticContact CD1-CE1 3.71Å; Y1467-F1476 HydrophobicContact CD1-CE1 3.71Å; Y1467-F1476 AromaticContact CD1-CZ 3.89Å; Y1467-F1476 HydrophobicContact CD1-CZ 3.89Å; P1468-F1476 VanDerWaalsContact CD-CE2 3.46Å; P1468-F1476 HydrophobicContact CG-CD2 4.01Å; P1468-F1476 HydrophobicContact CG-CE2 3.5Å; P1468-F1476 VanDerWaalsContact CG-CE2 3.5Å; P1468-F1476 HydrophobicContact CG-CZ 4.36Å; C1470-F1476 VanDerWaalsContact SG-CA 3.59Å; C1470-F1476 VanDerWaalsContact SG-CB 3.56Å; F1476-R1478 WeakPolarHBondContact CZ-O 3.47Å; F1476-R1480 WeakPolarHBondContact CD2-O 3.48Å; F1476-A1733 HydrophobicContact CD1-CB 4.05Å; F1476-A1733 HydrophobicContact CE1-CB 3.66Å |
| 1477 | H | 81.5 | Confident | 78.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 127.7 | 166.7 | -178.4 | 59 | 0 | 0 | 0 | 111.6 | D1479 R1480 F1482 D1520 F1523 V1725 Q1729 | H1477-D1479 PolarHBondContact O-N 2.79Å; H1477-R1480 PolarHBondContact N-O 3.31Å; H1477-R1480 PolarHBondContact O-N 3.28Å; H1477-R1480 VanDerWaalsContact O-N 3.11Å; H1477-F1482 HydrophobicContact CB-CD2 4.17Å; H1477-F1482 HydrophobicContact CB-CE2 4.03Å; H1477-D1520 IonicContact CD2-OD1 3.58Å; H1477-D1520 PolarHBondContact CD2-OD1 3.08Å; H1477-D1520 IonicContact NE2-OD1 2.73Å; H1477-D1520 PolarHBondContact NE2-OD1 2.97Å; H1477-F1523 HydrophobicContact CB-CD1 3.6Å; H1477-F1523 HydrophobicContact CB-CD2 4.21Å; H1477-F1523 HydrophobicContact CB-CE1 3.59Å; H1477-F1523 HydrophobicContact CB-CE2 4.19Å; H1477-F1523 HydrophobicContact CB-CG 3.93Å; H1477-F1523 HydrophobicContact CB-CZ 3.88Å; H1477-F1523 AromaticContact CD2-CG 3.96Å; H1477-F1523 AromaticContact CG-CD1 3.86Å; H1477-F1523 AromaticContact CG-CG 3.76Å; H1477-V1725 WeakPolarHBondContact CE1-CG1 3.48Å; H1477-V1725 WeakPolarHBondContact ND1-CG1 3.39Å; H1477-Q1729 PolarHBondContact ND1-OE1 3.19Å |
| 1478 | R | 79.1 | Confident | 79.5 | Confident | 94 Ų | 94 | 45.2 Ų | 45.2 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -80.8 | 177.9 | -69.6 | 172.9 | 66.1 | -134.2 | -2 | 116.3 | F1476 N1517 D1520 | F1476-R1478 WeakPolarHBondContact CZ-O 3.47Å; R1478-N1517 PolarHBondContact NH1-ND2 3.23Å; R1478-N1517 PolarHBondContact NH2-ND2 2.95Å; R1478-D1520 WeakPolarHBondContact CD-OD1 3.44Å; R1478-D1520 IonicContact CZ-OD1 3.74Å; R1478-D1520 IonicContact NE-OD1 3.32Å; R1478-D1520 IonicContact NH1-OD1 2.72Å; R1478-D1520 PolarHBondContact NH1-OD1 2.85Å; R1478-D1520 IonicContact NH1-OD2 3.07Å; R1478-D1520 PolarHBondContact NH1-OD2 3.21Å |
| 1479 | D | 79 | Confident | 80.4 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -8 | -176.2 | 70 | -36.8 | 0 | 0 | 0 | 113.5 | H1477 R1514 P1631 | H1477-D1479 PolarHBondContact O-N 2.79Å; D1479-R1514 IonicContact OD2-NH2 2.74Å; D1479-P1631 VanDerWaalsContact O-CD 3.28Å; D1479-P1631 WeakPolarHBondContact O-CD 3.29Å |
| 1480 | R | 86.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 179.4 | -173.2 | 79.8 | -157.6 | 82.7 | 146 | 7.8 | 112.7 | F1476 H1477 F1482 R1514 D1516 D1520 | F1476-R1480 WeakPolarHBondContact CD2-O 3.48Å; H1477-R1480 PolarHBondContact N-O 3.31Å; H1477-R1480 PolarHBondContact O-N 3.28Å; H1477-R1480 VanDerWaalsContact O-N 3.11Å; R1480-F1482 HydrophobicContact CG-CD2 4.12Å; R1480-F1482 HydrophobicContact CG-CE1 4.05Å; R1480-F1482 HydrophobicContact CG-CE2 3.42Å; R1480-F1482 VanDerWaalsContact CG-CE2 3.42Å; R1480-F1482 HydrophobicContact CG-CZ 3.42Å; R1480-F1482 VanDerWaalsContact CG-CZ 3.42Å; R1480-R1514 PolarHBondContact NH1-O 3.12Å; R1480-R1514 VanDerWaalsContact NH2-NH2 3.15Å; R1480-D1516 IonicContact CZ-OD2 3.27Å; R1480-D1516 IonicContact NH1-OD2 3.96Å; R1480-D1516 PolarHBondContact NH1-OD2 3.02Å; R1480-D1516 IonicContact NH2-OD2 2.79Å; R1480-D1516 PolarHBondContact NH2-OD2 2.91Å; R1480-D1520 IonicContact NH2-OD2 3.17Å |
| 1481 | C | 87.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.2 | -179.4 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | C1470 F1474 R1475 Q1628 A1629 | C1470-C1481 WeakPolarHBondContact CA-SG 3.35Å; C1470-C1481 HydrophobicContact CB-CB 3.66Å; C1470-C1481 WeakPolarHBondContact CB-SG 3.11Å; C1470-C1481 WeakPolarHBondContact SG-CB 3.31Å; C1470-C1481 CovalentContact SG-SG 2.03Å; C1470-C1481 PolarHBondContact SG-SG 3.21Å; F1474-C1481 HydrophobicContact CB-CB 3.88Å; F1474-C1481 HydrophobicContact CD1-CB 4.27Å; F1474-C1481 HydrophobicContact CG-CB 4.48Å; R1475-C1481 CarbonylContact O-C 3.57Å; R1475-C1481 WeakPolarHBondContact O-CA 3.45Å; C1481-Q1628 CarbonylContact O-C 3.58Å; C1481-Q1628 WeakPolarHBondContact O-CA 3.21Å; C1481-A1629 HydrophobicContact CB-CB 4.25Å; C1481-A1629 PolarHBondContact N-O 2.91Å; C1481-A1629 PolarHBondContact O-N 2.88Å |
| 1482 | F | 90.7 | Very high | 82.1 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.7 | 179.9 | -57.3 | -92.3 | 0 | 0 | 0 | 112.7 | F1474 R1475 H1477 R1480 A1513 F1523 L1524 L1527 C1627 Q1628 | F1474-F1482 CarbonylContact C-O 3.51Å; F1474-F1482 VanDerWaalsContact CA-O 3.31Å; F1474-F1482 WeakPolarHBondContact CA-O 3.25Å; R1475-F1482 PolarHBondContact N-O 2.84Å; R1475-F1482 PolarHBondContact O-N 3.42Å; H1477-F1482 HydrophobicContact CB-CD2 4.17Å; H1477-F1482 HydrophobicContact CB-CE2 4.03Å; R1480-F1482 HydrophobicContact CG-CD2 4.12Å; R1480-F1482 HydrophobicContact CG-CE1 4.05Å; R1480-F1482 HydrophobicContact CG-CE2 3.42Å; R1480-F1482 VanDerWaalsContact CG-CE2 3.42Å; R1480-F1482 HydrophobicContact CG-CZ 3.42Å; R1480-F1482 VanDerWaalsContact CG-CZ 3.42Å; F1482-A1513 HydrophobicContact CD1-CB 3.8Å; F1482-A1513 HydrophobicContact CE1-CB 3.84Å; F1482-F1523 HydrophobicContact CB-CE1 4.16Å; F1482-F1523 AromaticContact CD2-CD1 3.87Å; F1482-F1523 HydrophobicContact CD2-CD1 3.87Å; F1482-F1523 AromaticContact CD2-CE1 3.69Å; F1482-F1523 HydrophobicContact CD2-CE1 3.69Å; F1482-F1523 HydrophobicContact CE2-CD1 4.27Å; F1482-F1523 HydrophobicContact CE2-CE1 4.46Å; F1482-F1523 HydrophobicContact CG-CD1 4.49Å; F1482-F1523 HydrophobicContact CG-CE1 4.27Å; F1482-L1524 HydrophobicContact CB-CD2 4.22Å; F1482-L1524 HydrophobicContact CD1-CD2 3.53Å; F1482-L1524 HydrophobicContact CD2-CD2 4.27Å; F1482-L1524 HydrophobicContact CE1-CD2 3.77Å; F1482-L1524 HydrophobicContact CE2-CD2 4.47Å; F1482-L1524 HydrophobicContact CG-CD2 3.77Å; F1482-L1524 HydrophobicContact CZ-CD2 4.22Å; F1482-L1527 HydrophobicContact CB-CD1 4.25Å; F1482-C1627 CarbonylContact C-O 3.57Å; F1482-C1627 VanDerWaalsContact CA-O 3.25Å; F1482-C1627 WeakPolarHBondContact CA-O 3.37Å; F1482-Q1628 HydrophobicContact CD1-CB 3.62Å; F1482-Q1628 HydrophobicContact CE1-CB 3.71Å |
| 1483 | Q | 86.6 | Confident | 82.9 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.2 | 173.6 | -173.8 | 175.7 | -38 | 0 | 0 | 111.3 | G1473 F1474 I1485 V1626 C1627 | G1473-Q1483 VanDerWaalsContact CA-OE1 3.32Å; G1473-Q1483 PolarHBondContact O-OE1 3.49Å; F1474-Q1483 HydrophobicContact CB-CB 4.36Å; F1474-Q1483 HydrophobicContact CD1-CB 3.72Å; F1474-Q1483 HydrophobicContact CD2-CB 3.89Å; F1474-Q1483 HydrophobicContact CE1-CB 3.88Å; F1474-Q1483 HydrophobicContact CE2-CB 4.04Å; F1474-Q1483 VanDerWaalsContact CE2-OE1 3.27Å; F1474-Q1483 HydrophobicContact CG-CB 3.71Å; F1474-Q1483 HydrophobicContact CZ-CB 4.03Å; Q1483-I1485 HydrophobicContact CG-CD1 4.1Å; Q1483-V1626 WeakPolarHBondContact O-CA 3.31Å; Q1483-C1627 PolarHBondContact N-O 2.66Å; Q1483-C1627 PolarHBondContact O-N 2.94Å |
| 1484 | L | 86.9 | Confident | 83.9 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.1 | 165.9 | 179.9 | 72.5 | 0 | 0 | 0 | 109.9 | T1486 N1530 L1531 V1539 V1626 | L1484-T1486 HydrophobicContact CD2-CG2 4.33Å; L1484-N1530 HydrophobicContact CD2-CB 3.95Å; L1484-L1531 HydrophobicContact CD1-CD2 4.23Å; L1484-L1531 HydrophobicContact CD2-CD2 4Å; L1484-L1531 HydrophobicContact CD2-CG 4.04Å; L1484-V1539 HydrophobicContact CD1-CG1 3.93Å; L1484-V1626 HydrophobicContact CD1-CG2 3.99Å |
| 1485 | I | 86.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.3 | 170.5 | -53.2 | -54 | 0 | 0 | 0 | 107.7 | Q1483 D1487 F1489 I1501 S1624 S1625 C1627 | Q1483-I1485 HydrophobicContact CG-CD1 4.1Å; I1485-D1487 HydrophobicContact CG2-CB 4.21Å; I1485-F1489 HydrophobicContact CG2-CE2 3.99Å; I1485-I1501 HydrophobicContact CD1-CD1 3.66Å; I1485-I1501 HydrophobicContact CG1-CD1 4.1Å; I1485-S1624 WeakPolarHBondContact O-CA 3.42Å; I1485-S1624 VanDerWaalsContact O-CB 3.3Å; I1485-S1624 WeakPolarHBondContact O-CB 3.25Å; I1485-S1625 PolarHBondContact N-O 2.92Å; I1485-S1625 PolarHBondContact O-N 3.06Å; I1485-C1627 VanDerWaalsContact CG1-SG 3.56Å |
| 1486 | T | 80.3 | Confident | 84.9 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -28.4 | -178.8 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | L1484 S1624 L1665 | L1484-T1486 HydrophobicContact CD2-CG2 4.33Å; T1486-S1624 PolarHBondContact O-OG 3.36Å; T1486-L1665 HydrophobicContact CG2-CD1 4.1Å |
| 1487 | D | 76.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 58% | 0.578 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 141.7 | 175.8 | -61.1 | -50.1 | 0 | 0 | 0 | 110.9 | I1485 F1489 | I1485-D1487 HydrophobicContact CG2-CB 4.21Å; D1487-F1489 HydrophobicContact CB-CE2 3.66Å; D1487-F1489 HydrophobicContact CB-CZ 4.04Å; D1487-F1489 VanDerWaalsContact O-CD2 3.31Å; D1487-F1489 WeakPolarHBondContact O-CD2 3.34Å |
| 1488 | K | 78.4 | Confident | 86 | Confident | 93 Ų | 93 | 41.4 Ų | 41.4 | 40% | 0.404 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.3 | -168.6 | -62.9 | -174.9 | 167.9 | -159.5 | 0 | 112.4 | K1535 S1536 L1623 | K1488-K1535 PolarHBondContact NZ-O 3.13Å; K1488-S1536 WeakPolarHBondContact CE-OG 2.99Å; K1488-S1536 PolarHBondContact NZ-OG 2.96Å; K1488-L1623 WeakPolarHBondContact CA-O 3.06Å |
| 1489 | F | 83.2 | Confident | 86.6 | Confident | 51 Ų | 51 | 39.9 Ų | 39.9 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.7 | -175.8 | -62.2 | -77 | 0 | 0 | 0 | 110.7 | I1485 D1487 E1493 A1494 N1497 W1540 Y1622 L1623 | I1485-F1489 HydrophobicContact CG2-CE2 3.99Å; D1487-F1489 HydrophobicContact CB-CE2 3.66Å; D1487-F1489 HydrophobicContact CB-CZ 4.04Å; D1487-F1489 VanDerWaalsContact O-CD2 3.31Å; D1487-F1489 WeakPolarHBondContact O-CD2 3.34Å; F1489-E1493 HydrophobicContact CB-CB 3.92Å; F1489-E1493 HydrophobicContact CD1-CB 4.04Å; F1489-E1493 HydrophobicContact CG-CB 4.38Å; F1489-A1494 HydrophobicContact CB-CB 3.88Å; F1489-N1497 WeakPolarHBondContact CE2-ND2 3.35Å; F1489-N1497 HydrophobicContact CZ-CB 4.47Å; F1489-N1497 WeakPolarHBondContact CZ-ND2 3.38Å; F1489-W1540 PolarHBondContact O-NE1 2.98Å; F1489-Y1622 WeakPolarHBondContact O-CA 2.93Å; F1489-L1623 PolarHBondContact N-O 3.36Å; F1489-L1623 PolarHBondContact O-N 3.27Å |
| 1490 | T | 83.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.135 | 22% | 0.222 | C | C | . | . | trans | -65.9 | 163.9 | 159.2 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | S1492 E1493 A1494 Y1622 | T1490-S1492 VanDerWaalsContact C-N 3.33Å; T1490-S1492 PolarHBondContact O-N 3Å; T1490-E1493 WeakPolarHBondContact CB-OE2 3.45Å; T1490-E1493 WeakPolarHBondContact CG2-OE2 3.45Å; T1490-E1493 PolarHBondContact N-OE2 3.29Å; T1490-E1493 PolarHBondContact O-N 3.08Å; T1490-E1493 WeakPolarHBondContact OG1-CB 3.38Å; T1490-E1493 VanDerWaalsContact OG1-CG 3.25Å; T1490-E1493 WeakPolarHBondContact OG1-CG 3.4Å; T1490-E1493 PolarHBondContact OG1-OE2 3.18Å; T1490-A1494 VanDerWaalsContact O-CB 3.26Å; T1490-A1494 WeakPolarHBondContact O-CB 3.18Å; T1490-A1494 PolarHBondContact O-N 3Å; T1490-Y1622 HydrophobicContact CG2-CD1 4.23Å; T1490-Y1622 HydrophobicContact CG2-CE1 3.83Å | ||
| 1491 | W | 89.5 | Confident | 87 | Confident | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -39.8 | -176.1 | -174.1 | 97.5 | 0 | 0 | 0 | 113.2 | A1494 N1495 L1512 W1540 I1541 Y1544 A1557 C1597 | W1491-A1494 PolarHBondContact O-N 3.43Å; W1491-N1495 PolarHBondContact O-N 3.14Å; W1491-L1512 HydrophobicContact CD2-CD1 3.87Å; W1491-L1512 HydrophobicContact CG-CD1 3.93Å; W1491-L1512 HydrophobicContact CZ2-CD1 4.11Å; W1491-L1512 VanDerWaalsContact NE1-CD1 3.31Å; W1491-W1540 HydrophobicContact CB-CD2 4.03Å; W1491-W1540 HydrophobicContact CB-CE3 4.28Å; W1491-W1540 HydrophobicContact CB-CG 4.43Å; W1491-W1540 HydrophobicContact CB-CZ2 4.38Å; W1491-W1540 AromaticContact CD1-CD2 3.87Å; W1491-W1540 AromaticContact CD1-CE3 3.63Å; W1491-W1540 HydrophobicContact CG-CD2 4.38Å; W1491-W1540 HydrophobicContact CG-CE3 4.37Å; W1491-I1541 PolarHBondContact NE1-O 3.05Å; W1491-Y1544 AromaticContact CH2-CD1 3.74Å; W1491-Y1544 HydrophobicContact CH2-CD1 3.74Å; W1491-Y1544 HydrophobicContact CH2-CD2 4.49Å; W1491-Y1544 HydrophobicContact CH2-CE1 4.33Å; W1491-Y1544 AromaticContact CH2-CG 3.84Å; W1491-Y1544 HydrophobicContact CH2-CG 3.84Å; W1491-Y1544 AromaticContact CZ2-CD1 3.84Å; W1491-Y1544 HydrophobicContact CZ2-CD1 3.84Å; W1491-Y1544 AromaticContact CZ2-CG 3.98Å; W1491-Y1544 HydrophobicContact CZ2-CG 3.98Å; W1491-A1557 HydrophobicContact CH2-CB 4.16Å; W1491-A1557 HydrophobicContact CZ2-CB 4.05Å; W1491-C1597 HydrophobicContact CB-CB 3.99Å; W1491-C1597 HydrophobicContact CD2-CB 4.22Å; W1491-C1597 HydrophobicContact CG-CB 3.7Å |
| 1492 | S | 86 | Confident | 86.9 | Confident | 67 Ų | 67 | 46 Ų | 46 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -49.3 | 177.2 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | T1490 A1494 N1495 D1496 | T1490-S1492 VanDerWaalsContact C-N 3.33Å; T1490-S1492 PolarHBondContact O-N 3Å; S1492-A1494 PolarHBondContact O-N 3.01Å; S1492-N1495 PolarHBondContact O-N 3.09Å; S1492-D1496 WeakPolarHBondContact O-CB 3.09Å; S1492-D1496 PolarHBondContact O-N 3.48Å |
| 1493 | E | 88.5 | Confident | 86.4 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 175.9 | -69.4 | 168.5 | 139.2 | 0 | 0 | 111.8 | F1489 T1490 N1497 Y1622 | F1489-E1493 HydrophobicContact CB-CB 3.92Å; F1489-E1493 HydrophobicContact CD1-CB 4.04Å; F1489-E1493 HydrophobicContact CG-CB 4.38Å; T1490-E1493 WeakPolarHBondContact CB-OE2 3.45Å; T1490-E1493 WeakPolarHBondContact CG2-OE2 3.45Å; T1490-E1493 PolarHBondContact N-OE2 3.29Å; T1490-E1493 PolarHBondContact O-N 3.08Å; T1490-E1493 WeakPolarHBondContact OG1-CB 3.38Å; T1490-E1493 VanDerWaalsContact OG1-CG 3.25Å; T1490-E1493 WeakPolarHBondContact OG1-CG 3.4Å; T1490-E1493 PolarHBondContact OG1-OE2 3.18Å; E1493-N1497 WeakPolarHBondContact O-CB 3.05Å; E1493-N1497 PolarHBondContact O-N 3.39Å; E1493-Y1622 WeakPolarHBondContact OE2-CE1 3.45Å |
| 1494 | A | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1489 T1490 W1491 S1492 N1497 C1498 L1512 | F1489-A1494 HydrophobicContact CB-CB 3.88Å; T1490-A1494 VanDerWaalsContact O-CB 3.26Å; T1490-A1494 WeakPolarHBondContact O-CB 3.18Å; T1490-A1494 PolarHBondContact O-N 3Å; W1491-A1494 PolarHBondContact O-N 3.43Å; S1492-A1494 PolarHBondContact O-N 3.01Å; A1494-N1497 PolarHBondContact O-N 2.85Å; A1494-C1498 PolarHBondContact O-N 2.89Å; A1494-C1498 PolarHBondContact O-SG 3.48Å; A1494-L1512 HydrophobicContact CB-CD1 4.34Å; A1494-L1512 HydrophobicContact CB-CD2 4.04Å |
| 1495 | N | 92.3 | Very high | 85.9 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 177 | -170.4 | 65.6 | 0 | 0 | 0 | 112.2 | W1491 S1492 N1497 C1498 H1499 S1511 L1512 | W1491-N1495 PolarHBondContact O-N 3.14Å; S1492-N1495 PolarHBondContact O-N 3.09Å; N1495-N1497 VanDerWaalsContact C-N 3.31Å; N1495-N1497 PolarHBondContact O-N 3.1Å; N1495-C1498 WeakPolarHBondContact O-CB 3.46Å; N1495-C1498 PolarHBondContact O-N 2.98Å; N1495-H1499 PolarHBondContact ND2-CD2 2.92Å; N1495-H1499 PolarHBondContact ND2-NE2 3.18Å; N1495-H1499 PolarHBondContact O-CD2 3.38Å; N1495-H1499 PolarHBondContact O-N 3.43Å; N1495-S1511 WeakPolarHBondContact OD1-CA 3.49Å; N1495-L1512 HydrophobicContact CB-CD1 3.89Å; N1495-L1512 HydrophobicContact CB-CG 3.95Å; N1495-L1512 PolarHBondContact OD1-N 3.44Å |
| 1496 | D | 89.1 | Confident | 85.3 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 173.1 | -74.6 | -36.2 | 0 | 0 | 0 | 112.1 | S1492 H1499 Q1500 | S1492-D1496 WeakPolarHBondContact O-CB 3.09Å; S1492-D1496 PolarHBondContact O-N 3.48Å; D1496-H1499 PolarHBondContact O-N 3.36Å; D1496-Q1500 WeakPolarHBondContact O-CB 3.48Å; D1496-Q1500 VanDerWaalsContact O-CG 3.3Å; D1496-Q1500 WeakPolarHBondContact O-CG 3.47Å; D1496-Q1500 PolarHBondContact O-N 2.87Å |
| 1497 | N | 91.2 | Very high | 85 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 173.5 | -175.1 | 39.1 | 0 | 0 | 0 | 111.6 | F1489 E1493 A1494 N1495 H1499 Q1500 I1501 | F1489-N1497 WeakPolarHBondContact CE2-ND2 3.35Å; F1489-N1497 HydrophobicContact CZ-CB 4.47Å; F1489-N1497 WeakPolarHBondContact CZ-ND2 3.38Å; E1493-N1497 WeakPolarHBondContact O-CB 3.05Å; E1493-N1497 PolarHBondContact O-N 3.39Å; A1494-N1497 PolarHBondContact O-N 2.85Å; N1495-N1497 VanDerWaalsContact C-N 3.31Å; N1495-N1497 PolarHBondContact O-N 3.1Å; N1497-H1499 VanDerWaalsContact C-N 3.33Å; N1497-H1499 PolarHBondContact O-N 2.83Å; N1497-Q1500 PolarHBondContact O-N 3.43Å; N1497-Q1500 VanDerWaalsContact O-N 3.1Å; N1497-I1501 WeakPolarHBondContact O-CB 3.1Å; N1497-I1501 VanDerWaalsContact O-CG1 3.31Å; N1497-I1501 WeakPolarHBondContact O-CG1 3.33Å; N1497-I1501 PolarHBondContact O-N 3.34Å |
| 1498 | C | 93.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 172.8 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | A1494 N1495 V1502 S1511 C1627 | A1494-C1498 PolarHBondContact O-N 2.89Å; A1494-C1498 PolarHBondContact O-SG 3.48Å; N1495-C1498 WeakPolarHBondContact O-CB 3.46Å; N1495-C1498 PolarHBondContact O-N 2.98Å; C1498-V1502 WeakPolarHBondContact O-CG2 3.44Å; C1498-V1502 PolarHBondContact O-N 2.83Å; C1498-S1511 VanDerWaalsContact CB-C 3.44Å; C1498-S1511 WeakPolarHBondContact CB-O 3.39Å; C1498-C1627 WeakPolarHBondContact CA-SG 3.48Å; C1498-C1627 HydrophobicContact CB-CB 3.67Å; C1498-C1627 WeakPolarHBondContact CB-SG 3.21Å; C1498-C1627 WeakPolarHBondContact SG-CA 3.34Å; C1498-C1627 WeakPolarHBondContact SG-CB 3.27Å; C1498-C1627 CovalentContact SG-SG 2.03Å; C1498-C1627 PolarHBondContact SG-SG 3.38Å |
| 1499 | H | 91 | Very high | 85.8 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 170.4 | -68.7 | -58.5 | 0 | 0 | 0 | 111.6 | N1495 D1496 N1497 V1502 K1503 G1510 | N1495-H1499 PolarHBondContact ND2-CD2 2.92Å; N1495-H1499 PolarHBondContact ND2-NE2 3.18Å; N1495-H1499 PolarHBondContact O-CD2 3.38Å; N1495-H1499 PolarHBondContact O-N 3.43Å; D1496-H1499 PolarHBondContact O-N 3.36Å; N1497-H1499 VanDerWaalsContact C-N 3.33Å; N1497-H1499 PolarHBondContact O-N 2.83Å; H1499-V1502 PolarHBondContact O-N 2.88Å; H1499-K1503 WeakPolarHBondContact O-CB 3.33Å; H1499-K1503 PolarHBondContact O-N 3.43Å; H1499-G1510 PolarHBondContact CE1-O 2.87Å; H1499-G1510 PolarHBondContact ND1-O 2.79Å |
| 1500 | Q | 86.5 | Confident | 86.1 | Confident | 130 Ų | 130 | 59 Ų | 59 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.2 | -42.4 | -178.6 | -75.9 | 179.8 | 57.2 | 0 | 0 | 113.9 | D1496 N1497 V1502 K1503 | D1496-Q1500 WeakPolarHBondContact O-CB 3.48Å; D1496-Q1500 VanDerWaalsContact O-CG 3.3Å; D1496-Q1500 WeakPolarHBondContact O-CG 3.47Å; D1496-Q1500 PolarHBondContact O-N 2.87Å; N1497-Q1500 PolarHBondContact O-N 3.43Å; N1497-Q1500 VanDerWaalsContact O-N 3.1Å; Q1500-V1502 VanDerWaalsContact C-N 3.3Å; Q1500-V1502 PolarHBondContact O-N 3.41Å; Q1500-K1503 WeakPolarHBondContact O-CB 3.39Å; Q1500-K1503 PolarHBondContact O-N 3.31Å |
| 1501 | I | 87.2 | Confident | 86.6 | Confident | 49 Ų | 49 | 58 Ų | 58 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178.6 | -70.9 | 168.1 | 0 | 0 | 0 | 111 | F1474 I1485 N1497 P1504 | F1474-I1501 HydrophobicContact CE2-CG2 3.65Å; F1474-I1501 HydrophobicContact CZ-CG2 3.82Å; I1485-I1501 HydrophobicContact CD1-CD1 3.66Å; I1485-I1501 HydrophobicContact CG1-CD1 4.1Å; N1497-I1501 WeakPolarHBondContact O-CB 3.1Å; N1497-I1501 VanDerWaalsContact O-CG1 3.31Å; N1497-I1501 WeakPolarHBondContact O-CG1 3.33Å; N1497-I1501 PolarHBondContact O-N 3.34Å; I1501-P1504 VanDerWaalsContact O-CD 3.32Å; I1501-P1504 WeakPolarHBondContact O-CD 3.27Å |
| 1502 | V | 86.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.6 | -22.4 | -178.4 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | F1474 C1498 H1499 Q1500 P1504 Y1505 F1508 A1629 | F1474-V1502 HydrophobicContact CE1-CG2 4.09Å; F1474-V1502 HydrophobicContact CE2-CG2 4.43Å; F1474-V1502 HydrophobicContact CZ-CG2 3.67Å; C1498-V1502 WeakPolarHBondContact O-CG2 3.44Å; C1498-V1502 PolarHBondContact O-N 2.83Å; H1499-V1502 PolarHBondContact O-N 2.88Å; Q1500-V1502 VanDerWaalsContact C-N 3.3Å; Q1500-V1502 PolarHBondContact O-N 3.41Å; V1502-P1504 VanDerWaalsContact C-N 3.33Å; V1502-P1504 WeakPolarHBondContact O-CD 3.46Å; V1502-P1504 VanDerWaalsContact O-N 3.08Å; V1502-Y1505 WeakPolarHBondContact O-CB 3.27Å; V1502-Y1505 PolarHBondContact O-N 3.31Å; V1502-F1508 HydrophobicContact CG1-CB 3.52Å; V1502-A1629 HydrophobicContact CG1-CB 3.91Å; V1502-A1629 HydrophobicContact CG2-CB 3.7Å |
| 1503 | K | 79.3 | Confident | 87.2 | Confident | 166 Ų | 166 | 53.6 Ų | 53.6 | 72% | 0.722 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -34.7 | -178.7 | -168.5 | 172.2 | -179.2 | 175 | 0 | 116.8 | H1499 Q1500 Y1505 | H1499-K1503 WeakPolarHBondContact O-CB 3.33Å; H1499-K1503 PolarHBondContact O-N 3.43Å; Q1500-K1503 WeakPolarHBondContact O-CB 3.39Å; Q1500-K1503 PolarHBondContact O-N 3.31Å; K1503-Y1505 PolarHBondContact O-N 2.81Å |
| 1504 | P | 81.2 | Confident | 87.4 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.2 | 174.8 | -21.2 | 34.7 | 0 | 0 | 0 | 114 | I1501 V1502 T1506 | I1501-P1504 VanDerWaalsContact O-CD 3.32Å; I1501-P1504 WeakPolarHBondContact O-CD 3.27Å; V1502-P1504 VanDerWaalsContact C-N 3.33Å; V1502-P1504 WeakPolarHBondContact O-CD 3.46Å; V1502-P1504 VanDerWaalsContact O-N 3.08Å; P1504-T1506 PolarHBondContact O-N 3.18Å |
| 1505 | Y | 81.2 | Confident | 87.4 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | trans | -100.2 | 74 | -170.6 | -54.4 | -80.3 | 0 | 0 | 0 | 110.6 | P1471 P1472 V1502 K1503 N1507 F1508 | P1471-Y1505 HydrophobicContact CB-CD1 4.2Å; P1471-Y1505 HydrophobicContact CB-CD2 3.79Å; P1471-Y1505 HydrophobicContact CB-CE1 4.34Å; P1471-Y1505 HydrophobicContact CB-CE2 3.95Å; P1471-Y1505 HydrophobicContact CB-CG 3.93Å; P1471-Y1505 HydrophobicContact CG-CD2 4.1Å; P1471-Y1505 HydrophobicContact CG-CG 4Å; P1472-Y1505 WeakPolarHBondContact CD-OH 3.38Å; P1472-Y1505 HydrophobicContact CG-CE1 4.39Å; V1502-Y1505 WeakPolarHBondContact O-CB 3.27Å; V1502-Y1505 PolarHBondContact O-N 3.31Å; K1503-Y1505 PolarHBondContact O-N 2.81Å; Y1505-N1507 PolarHBondContact O-N 3.31Å; Y1505-F1508 PolarHBondContact O-N 2.66Å | ||
| 1506 | T | 74.1 | Confident | 86.9 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 74% | 0.736 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -11.9 | -170.4 | 53.7 | 0 | 0 | 0 | 0 | 118.5 | P1504 | P1504-T1506 PolarHBondContact O-N 3.18Š|
| 1507 | N | 75.2 | Confident | 86.6 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.3 | 173.6 | -69.1 | -29.9 | 0 | 0 | 0 | 114 | Y1505 I1632 | Y1505-N1507 PolarHBondContact O-N 3.31Å; N1507-I1632 PolarHBondContact O-N 3.11Å |
| 1508 | F | 84.8 | Confident | 86 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.5 | -175.6 | -67 | -90.1 | 0 | 0 | 0 | 111.8 | P1468 T1469 P1471 V1502 Y1505 A1629 S1630 P1631 | P1468-F1508 HydrophobicContact CB-CE1 4.07Å; P1468-F1508 HydrophobicContact CB-CZ 3.97Å; T1469-F1508 WeakPolarHBondContact O-CE2 3.39Å; T1469-F1508 VanDerWaalsContact O-CZ 3.25Å; T1469-F1508 WeakPolarHBondContact O-CZ 3.43Å; P1471-F1508 HydrophobicContact CG-CD2 4.17Å; P1471-F1508 HydrophobicContact CG-CE2 4.35Å; P1471-F1508 HydrophobicContact CG-CG 4.46Å; V1502-F1508 HydrophobicContact CG1-CB 3.52Å; Y1505-F1508 PolarHBondContact O-N 2.66Å; F1508-A1629 HydrophobicContact CB-CB 4.26Å; F1508-A1629 HydrophobicContact CD1-CB 4.06Å; F1508-A1629 HydrophobicContact CG-CB 4.37Å; F1508-S1630 CarbonylContact C-O 3.53Å; F1508-S1630 WeakPolarHBondContact CA-O 3.34Å; F1508-P1631 HydrophobicContact CD1-CG 4.25Å; F1508-P1631 HydrophobicContact CE1-CG 3.94Å |
| 1509 | N | 86.3 | Confident | 85.4 | Confident | 89 Ų | 89 | 50 Ų | 50 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.4 | 163.4 | -168.4 | 22.2 | 0 | 0 | 0 | 109.4 | A1629 S1630 I1632 | N1509-A1629 WeakPolarHBondContact O-CA 3.32Å; N1509-S1630 PolarHBondContact N-O 2.69Å; N1509-S1630 PolarHBondContact O-N 3.16Å; N1509-I1632 HydrophobicContact CB-CD1 4.46Å; N1509-I1632 HydrophobicContact CB-CG1 4.14Å |
| 1510 | G | 89.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 157.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | H1499 Q1628 | H1499-G1510 PolarHBondContact CE1-O 2.87Å; H1499-G1510 PolarHBondContact ND1-O 2.79Å; G1510-Q1628 WeakPolarHBondContact CA-O 3.49Å |
| 1511 | S | 94.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 177.1 | 160.8 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | N1495 C1498 C1627 Q1628 | N1495-S1511 WeakPolarHBondContact OD1-CA 3.49Å; C1498-S1511 VanDerWaalsContact CB-C 3.44Å; C1498-S1511 WeakPolarHBondContact CB-O 3.39Å; S1511-C1627 CarbonylContact O-C 3.56Å; S1511-C1627 WeakPolarHBondContact O-CA 3.39Å; S1511-Q1628 PolarHBondContact N-O 2.87Å; S1511-Q1628 VanDerWaalsContact N-O 3.08Å; S1511-Q1628 PolarHBondContact O-N 3.21Å; S1511-Q1628 VanDerWaalsContact OG-CG 3.26Å; S1511-Q1628 WeakPolarHBondContact OG-CG 3.31Å; S1511-Q1628 PolarHBondContact OG-NE2 2.79Å |
| 1512 | L | 95.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 150.1 | 157.9 | -74.9 | 171.8 | 0 | 0 | 0 | 111 | W1491 A1494 N1495 W1540 G1542 A1557 | W1491-L1512 HydrophobicContact CD2-CD1 3.87Å; W1491-L1512 HydrophobicContact CG-CD1 3.93Å; W1491-L1512 HydrophobicContact CZ2-CD1 4.11Å; W1491-L1512 VanDerWaalsContact NE1-CD1 3.31Å; A1494-L1512 HydrophobicContact CB-CD1 4.34Å; A1494-L1512 HydrophobicContact CB-CD2 4.04Å; N1495-L1512 HydrophobicContact CB-CD1 3.89Å; N1495-L1512 HydrophobicContact CB-CG 3.95Å; N1495-L1512 PolarHBondContact OD1-N 3.44Å; L1512-W1540 HydrophobicContact CD1-CB 4.3Å; L1512-W1540 HydrophobicContact CD2-CB 4.12Å; L1512-G1542 VanDerWaalsContact CB-CA 3.43Å; L1512-A1557 HydrophobicContact CB-CB 4.24Å |
| 1513 | A | 93 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 134.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1482 L1524 G1542 W1556 V1626 Q1628 | F1482-A1513 HydrophobicContact CD1-CB 3.8Å; F1482-A1513 HydrophobicContact CE1-CB 3.84Å; A1513-L1524 HydrophobicContact CB-CD1 3.67Å; A1513-G1542 WeakPolarHBondContact O-CA 3.22Å; A1513-G1542 PolarHBondContact O-N 3.38Å; A1513-W1556 VanDerWaalsContact O-CZ3 3.28Å; A1513-W1556 WeakPolarHBondContact O-CZ3 3.35Å; A1513-V1626 HydrophobicContact CB-CB 4.2Å; A1513-V1626 HydrophobicContact CB-CG1 3.98Å; A1513-V1626 WeakPolarHBondContact CB-O 3.48Å; A1513-V1626 PolarHBondContact N-O 3.33Å; A1513-Q1628 HydrophobicContact CB-CB 4.4Å |
| 1514 | R | 92.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -95 | 140.8 | 172.2 | 177.4 | 174.7 | 100 | -105.4 | -8.5 | 111.9 | D1479 R1480 D1516 W1556 D1558 K1560 | D1479-R1514 IonicContact OD2-NH2 2.74Å; R1480-R1514 PolarHBondContact NH1-O 3.12Å; R1480-R1514 VanDerWaalsContact NH2-NH2 3.15Å; R1514-D1516 WeakPolarHBondContact CD-OD1 3.14Å; R1514-D1516 WeakPolarHBondContact CG-OD1 3.26Å; R1514-D1516 IonicContact CZ-OD1 3.73Å; R1514-D1516 IonicContact CZ-OD2 2.77Å; R1514-D1516 VanDerWaalsContact CZ-OD2 3.3Å; R1514-D1516 VanDerWaalsContact NE-CG 3.33Å; R1514-D1516 IonicContact NE-OD1 2.76Å; R1514-D1516 PolarHBondContact NE-OD1 2.92Å; R1514-D1516 IonicContact NE-OD2 3.81Å; R1514-D1516 PolarHBondContact NE-OD2 2.94Å; R1514-D1516 VanDerWaalsContact NE-OD2 3.17Å; R1514-D1516 IonicContact NH2-OD1 2.75Å; R1514-D1516 IonicContact NH2-OD2 3.77Å; R1514-D1516 PolarHBondContact NH2-OD2 3.39Å; R1514-W1556 VanDerWaalsContact CA-CE3 3.49Å; R1514-W1556 HydrophobicContact CB-CB 4.33Å; R1514-W1556 HydrophobicContact CB-CD2 4.02Å; R1514-W1556 HydrophobicContact CB-CE3 4.03Å; R1514-W1556 HydrophobicContact CB-CG 4.15Å; R1514-W1556 HydrophobicContact CG-CB 4.08Å; R1514-W1556 HydrophobicContact CG-CD2 3.63Å; R1514-W1556 HydrophobicContact CG-CE3 4.14Å; R1514-W1556 HydrophobicContact CG-CG 3.57Å; R1514-D1558 WeakPolarHBondContact CD-OD2 3.29Å; R1514-D1558 IonicContact CZ-OD2 2.96Å; R1514-D1558 IonicContact NE-OD2 3.95Å; R1514-D1558 IonicContact NH1-OD2 3.75Å; R1514-D1558 PolarHBondContact NH1-OD2 3.35Å; R1514-K1560 VanDerWaalsContact NH2-NZ 3.16Å |
| 1515 | I | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -118 | 111.2 | 176.6 | -55.8 | 173.9 | 0 | 0 | 0 | 108.7 | N1517 D1520 Q1521 L1524 I1541 W1556 F1564 W1612 | I1515-N1517 WeakPolarHBondContact CG2-O 3.26Å; I1515-D1520 HydrophobicContact CB-CB 4.4Å; I1515-D1520 HydrophobicContact CG2-CB 3.89Å; I1515-Q1521 HydrophobicContact CG2-CB 3.96Å; I1515-L1524 HydrophobicContact CD1-CD1 4Å; I1515-L1524 HydrophobicContact CG1-CD1 3.7Å; I1515-I1541 HydrophobicContact CD1-CD1 4.07Å; I1515-W1556 HydrophobicContact CB-CH2 3.63Å; I1515-W1556 HydrophobicContact CB-CZ2 3.93Å; I1515-W1556 HydrophobicContact CD1-CH2 4.24Å; I1515-W1556 HydrophobicContact CG1-CH2 3.87Å; I1515-W1556 HydrophobicContact CG1-CZ3 4.41Å; I1515-W1556 VanDerWaalsContact N-CH2 3.33Å; I1515-W1556 WeakPolarHBondContact O-CZ2 3.25Å; I1515-F1564 HydrophobicContact CG2-CD1 3.7Å; I1515-F1564 HydrophobicContact CG2-CE1 3.88Å; I1515-W1612 HydrophobicContact CB-CZ2 4.39Å; I1515-W1612 HydrophobicContact CD1-CZ2 3.73Å; I1515-W1612 HydrophobicContact CG2-CZ2 4.35Å | ||
| 1516 | D | 82.7 | Confident | 86.4 | Confident | 16 Ų | 16 | 26 Ų | 26 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | trans | -96.9 | -19.2 | -180 | -60.8 | -41.1 | 0 | 0 | 0 | 113.4 | R1480 R1514 D1520 F1564 | R1480-D1516 IonicContact CZ-OD2 3.27Å; R1480-D1516 IonicContact NH1-OD2 3.96Å; R1480-D1516 PolarHBondContact NH1-OD2 3.02Å; R1480-D1516 IonicContact NH2-OD2 2.79Å; R1480-D1516 PolarHBondContact NH2-OD2 2.91Å; R1514-D1516 WeakPolarHBondContact CD-OD1 3.14Å; R1514-D1516 WeakPolarHBondContact CG-OD1 3.26Å; R1514-D1516 IonicContact CZ-OD1 3.73Å; R1514-D1516 IonicContact CZ-OD2 2.77Å; R1514-D1516 VanDerWaalsContact CZ-OD2 3.3Å; R1514-D1516 VanDerWaalsContact NE-CG 3.33Å; R1514-D1516 IonicContact NE-OD1 2.76Å; R1514-D1516 PolarHBondContact NE-OD1 2.92Å; R1514-D1516 IonicContact NE-OD2 3.81Å; R1514-D1516 PolarHBondContact NE-OD2 2.94Å; R1514-D1516 VanDerWaalsContact NE-OD2 3.17Å; R1514-D1516 IonicContact NH2-OD1 2.75Å; R1514-D1516 IonicContact NH2-OD2 3.77Å; R1514-D1516 PolarHBondContact NH2-OD2 3.39Å; D1516-D1520 WeakPolarHBondContact CA-OD2 3.36Å; D1516-D1520 WeakPolarHBondContact CB-OD2 3.3Å; D1516-D1520 PolarHBondContact N-OD2 3.41Å; D1516-F1564 VanDerWaalsContact C-CB 3.48Å; D1516-F1564 WeakPolarHBondContact O-CB 3.49Å | ||
| 1517 | N | 81.9 | Confident | 87 | Confident | 47 Ų | 47 | 20.8 Ų | 20.8 | 25% | 0.251 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -158.7 | -178 | 176.3 | 68.1 | 29.6 | 0 | 0 | 0 | 113.1 | R1478 I1515 L1519 D1520 Q1521 | R1478-N1517 PolarHBondContact NH1-ND2 3.23Å; R1478-N1517 PolarHBondContact NH2-ND2 2.95Å; I1515-N1517 WeakPolarHBondContact CG2-O 3.26Å; N1517-L1519 VanDerWaalsContact C-N 3.28Å; N1517-L1519 PolarHBondContact O-N 3.2Å; N1517-L1519 WeakPolarHBondContact OD1-CA 3.19Å; N1517-L1519 WeakPolarHBondContact OD1-CB 3.38Å; N1517-L1519 PolarHBondContact OD1-N 3.2Å; N1517-D1520 PolarHBondContact O-N 3.42Å; N1517-D1520 PolarHBondContact OD1-N 2.79Å; N1517-Q1521 PolarHBondContact O-N 2.89Å |
| 1518 | G | 78.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 16 Ų | 16 | 35% | 0.351 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -63 | -22.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1522 | G1518-Q1522 WeakPolarHBondContact O-CG 3.48Å; G1518-Q1522 PolarHBondContact O-N 3.13Å; G1518-Q1522 VanDerWaalsContact O-N 3.14Å |
| 1519 | L | 82.4 | Confident | 87 | Confident | 33 Ų | 33 | 16.6 Ų | 16.6 | 17% | 0.173 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -75.3 | -44 | 175.3 | -65.8 | 173.6 | 0 | 0 | 0 | 110.9 | N1517 Q1521 Q1522 F1523 V1725 N1728 | N1517-L1519 VanDerWaalsContact C-N 3.28Å; N1517-L1519 PolarHBondContact O-N 3.2Å; N1517-L1519 WeakPolarHBondContact OD1-CA 3.19Å; N1517-L1519 WeakPolarHBondContact OD1-CB 3.38Å; N1517-L1519 PolarHBondContact OD1-N 3.2Å; L1519-Q1521 PolarHBondContact O-N 3.46Å; L1519-Q1522 PolarHBondContact O-N 3.33Å; L1519-Q1522 VanDerWaalsContact O-N 3.16Å; L1519-F1523 PolarHBondContact O-N 3.48Å; L1519-V1725 HydrophobicContact CD2-CG2 4.46Å; L1519-V1725 VanDerWaalsContact O-CG2 3.3Å; L1519-V1725 WeakPolarHBondContact O-CG2 3.44Å; L1519-N1728 WeakPolarHBondContact CD1-OD1 3.28Å |
| 1520 | D | 86.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.1 | -44.3 | 173.3 | -63 | -17.4 | 0 | 0 | 0 | 110.1 | H1477 R1478 R1480 I1515 D1516 N1517 Q1522 F1523 L1524 | H1477-D1520 IonicContact CD2-OD1 3.58Å; H1477-D1520 PolarHBondContact CD2-OD1 3.08Å; H1477-D1520 IonicContact NE2-OD1 2.73Å; H1477-D1520 PolarHBondContact NE2-OD1 2.97Å; R1478-D1520 WeakPolarHBondContact CD-OD1 3.44Å; R1478-D1520 IonicContact CZ-OD1 3.74Å; R1478-D1520 IonicContact NE-OD1 3.32Å; R1478-D1520 IonicContact NH1-OD1 2.72Å; R1478-D1520 PolarHBondContact NH1-OD1 2.85Å; R1478-D1520 IonicContact NH1-OD2 3.07Å; R1478-D1520 PolarHBondContact NH1-OD2 3.21Å; R1480-D1520 IonicContact NH2-OD2 3.17Å; I1515-D1520 HydrophobicContact CB-CB 4.4Å; I1515-D1520 HydrophobicContact CG2-CB 3.89Å; D1516-D1520 WeakPolarHBondContact CA-OD2 3.36Å; D1516-D1520 WeakPolarHBondContact CB-OD2 3.3Å; D1516-D1520 PolarHBondContact N-OD2 3.41Å; N1517-D1520 PolarHBondContact O-N 3.42Å; N1517-D1520 PolarHBondContact OD1-N 2.79Å; D1520-Q1522 PolarHBondContact O-N 2.98Å; D1520-F1523 PolarHBondContact O-N 3.05Å; D1520-L1524 WeakPolarHBondContact O-CG 3.17Å; D1520-L1524 PolarHBondContact O-N 3.35Å |
| 1521 | Q | 88 | Confident | 85.1 | Confident | 10 Ų | 10 | 14 Ų | 14 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59 | -46 | 177.1 | 173.1 | 60.1 | 81 | 0 | 0 | 112.7 | I1515 N1517 L1519 F1523 A1525 F1564 K1566 M1600 | I1515-Q1521 HydrophobicContact CG2-CB 3.96Å; N1517-Q1521 PolarHBondContact O-N 2.89Å; L1519-Q1521 PolarHBondContact O-N 3.46Å; Q1521-F1523 VanDerWaalsContact C-N 3.31Å; Q1521-A1525 VanDerWaalsContact O-CB 3.31Å; Q1521-A1525 WeakPolarHBondContact O-CB 3.45Å; Q1521-A1525 PolarHBondContact O-N 3.04Å; Q1521-A1525 VanDerWaalsContact O-N 3.07Å; Q1521-F1564 HydrophobicContact CB-CE1 4.16Å; Q1521-F1564 HydrophobicContact CB-CZ 4.43Å; Q1521-K1566 HydrophobicContact CG-CD 4.15Å; Q1521-K1566 VanDerWaalsContact OE1-CD 3.29Å; Q1521-M1600 PolarHBondContact NE2-SD 3.37Å |
| 1522 | Q | 85.4 | Confident | 83.4 | Confident | 51 Ų | 51 | 17.1 Ų | 17.1 | 24% | 0.238 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 178.4 | -69.2 | -71 | -26.6 | 0 | 0 | 111.2 | G1518 L1519 D1520 A1525 S1526 S1721 V1725 | G1518-Q1522 WeakPolarHBondContact O-CG 3.48Å; G1518-Q1522 PolarHBondContact O-N 3.13Å; G1518-Q1522 VanDerWaalsContact O-N 3.14Å; L1519-Q1522 PolarHBondContact O-N 3.33Å; L1519-Q1522 VanDerWaalsContact O-N 3.16Å; D1520-Q1522 PolarHBondContact O-N 2.98Å; Q1522-A1525 PolarHBondContact O-N 3.47Å; Q1522-S1526 PolarHBondContact O-N 3.13Å; Q1522-S1526 VanDerWaalsContact O-N 3.13Å; Q1522-S1721 WeakPolarHBondContact O-CB 3.14Å; Q1522-V1725 HydrophobicContact CB-CG2 3.59Å |
| 1523 | F | 89.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -48.1 | 176.9 | -171.1 | -108.9 | 0 | 0 | 0 | 112 | R1475 H1477 F1482 L1519 D1520 Q1521 A1525 S1526 L1527 V1725 | R1475-F1523 HydrophobicContact CB-CZ 4.03Å; H1477-F1523 HydrophobicContact CB-CD1 3.6Å; H1477-F1523 HydrophobicContact CB-CD2 4.21Å; H1477-F1523 HydrophobicContact CB-CE1 3.59Å; H1477-F1523 HydrophobicContact CB-CE2 4.19Å; H1477-F1523 HydrophobicContact CB-CG 3.93Å; H1477-F1523 HydrophobicContact CB-CZ 3.88Å; H1477-F1523 AromaticContact CD2-CG 3.96Å; H1477-F1523 AromaticContact CG-CD1 3.86Å; H1477-F1523 AromaticContact CG-CG 3.76Å; F1482-F1523 HydrophobicContact CB-CE1 4.16Å; F1482-F1523 AromaticContact CD2-CD1 3.87Å; F1482-F1523 HydrophobicContact CD2-CD1 3.87Å; F1482-F1523 AromaticContact CD2-CE1 3.69Å; F1482-F1523 HydrophobicContact CD2-CE1 3.69Å; F1482-F1523 HydrophobicContact CE2-CD1 4.27Å; F1482-F1523 HydrophobicContact CE2-CE1 4.46Å; F1482-F1523 HydrophobicContact CG-CD1 4.49Å; F1482-F1523 HydrophobicContact CG-CE1 4.27Å; L1519-F1523 PolarHBondContact O-N 3.48Å; D1520-F1523 PolarHBondContact O-N 3.05Å; Q1521-F1523 VanDerWaalsContact C-N 3.31Å; F1523-A1525 VanDerWaalsContact C-N 3.3Å; F1523-A1525 PolarHBondContact O-N 3.36Å; F1523-S1526 PolarHBondContact O-N 3.3Å; F1523-S1526 VanDerWaalsContact O-N 3.13Å; F1523-S1526 PolarHBondContact O-OG 3.41Å; F1523-S1526 VanDerWaalsContact O-OG 3.14Å; F1523-L1527 HydrophobicContact CE1-CD1 4.5Å; F1523-V1725 HydrophobicContact CB-CG1 4.27Å; F1523-V1725 HydrophobicContact CB-CG2 4.13Å; F1523-V1725 HydrophobicContact CD2-CG1 3.95Å; F1523-V1725 HydrophobicContact CG-CG1 4.49Å |
| 1524 | L | 90.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66 | -35 | 178.6 | -55.8 | -165.7 | 0 | 0 | 0 | 111.8 | F1482 A1513 I1515 D1520 S1526 L1527 M1600 V1626 | F1482-L1524 HydrophobicContact CB-CD2 4.22Å; F1482-L1524 HydrophobicContact CD1-CD2 3.53Å; F1482-L1524 HydrophobicContact CD2-CD2 4.27Å; F1482-L1524 HydrophobicContact CE1-CD2 3.77Å; F1482-L1524 HydrophobicContact CE2-CD2 4.47Å; F1482-L1524 HydrophobicContact CG-CD2 3.77Å; F1482-L1524 HydrophobicContact CZ-CD2 4.22Å; A1513-L1524 HydrophobicContact CB-CD1 3.67Å; I1515-L1524 HydrophobicContact CD1-CD1 4Å; I1515-L1524 HydrophobicContact CG1-CD1 3.7Å; D1520-L1524 WeakPolarHBondContact O-CG 3.17Å; D1520-L1524 PolarHBondContact O-N 3.35Å; L1524-S1526 VanDerWaalsContact C-N 3.25Å; L1524-S1526 PolarHBondContact O-N 2.88Å; L1524-L1527 HydrophobicContact CD2-CD1 4.35Å; L1524-L1527 PolarHBondContact O-N 2.95Å; L1524-M1600 HydrophobicContact CB-CE 3.7Å; L1524-M1600 HydrophobicContact CB-SD 4.34Å; L1524-V1626 HydrophobicContact CD2-CG1 4.16Å |
| 1525 | A | 87.5 | Confident | 77 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -25.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1521 Q1522 F1523 N1609 F1718 | Q1521-A1525 VanDerWaalsContact O-CB 3.31Å; Q1521-A1525 WeakPolarHBondContact O-CB 3.45Å; Q1521-A1525 PolarHBondContact O-N 3.04Å; Q1521-A1525 VanDerWaalsContact O-N 3.07Å; Q1522-A1525 PolarHBondContact O-N 3.47Å; F1523-A1525 VanDerWaalsContact C-N 3.3Å; F1523-A1525 PolarHBondContact O-N 3.36Å; A1525-N1609 PolarHBondContact O-ND2 3.03Å; A1525-F1718 WeakPolarHBondContact O-CD1 3.29Å |
| 1526 | S | 86.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78.8 | -19.3 | 177.8 | 96.5 | 0 | 0 | 0 | 0 | 114.3 | Q1522 F1523 L1524 L1528 T1661 F1718 F1722 | Q1522-S1526 PolarHBondContact O-N 3.13Å; Q1522-S1526 VanDerWaalsContact O-N 3.13Å; F1523-S1526 PolarHBondContact O-N 3.3Å; F1523-S1526 VanDerWaalsContact O-N 3.13Å; F1523-S1526 PolarHBondContact O-OG 3.41Å; F1523-S1526 VanDerWaalsContact O-OG 3.14Å; L1524-S1526 VanDerWaalsContact C-N 3.25Å; L1524-S1526 PolarHBondContact O-N 2.88Å; S1526-L1528 VanDerWaalsContact C-N 3.33Å; S1526-T1661 PolarHBondContact O-OG1 3.33Å; S1526-T1661 VanDerWaalsContact O-OG1 3.12Å; S1526-T1661 PolarHBondContact OG-OG1 2.86Å; S1526-F1718 VanDerWaalsContact CB-O 3.29Å; S1526-F1718 WeakPolarHBondContact CB-O 3.47Å; S1526-F1722 VanDerWaalsContact CB-N 3.31Å |
| 1527 | L | 86.2 | Confident | 74.4 | Confident | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.2 | -25 | 177.4 | -61.2 | 178.3 | 0 | 0 | 0 | 112.3 | F1482 F1523 L1524 D1529 N1530 V1626 T1661 | F1482-L1527 HydrophobicContact CB-CD1 4.25Å; F1523-L1527 HydrophobicContact CE1-CD1 4.5Å; L1524-L1527 HydrophobicContact CD2-CD1 4.35Å; L1524-L1527 PolarHBondContact O-N 2.95Å; L1527-D1529 PolarHBondContact O-N 3.32Å; L1527-D1529 VanDerWaalsContact O-N 3.14Å; L1527-N1530 PolarHBondContact O-N 3.17Å; L1527-N1530 PolarHBondContact O-ND2 3.28Å; L1527-V1626 HydrophobicContact CD1-CG1 4.2Å; L1527-T1661 HydrophobicContact CD2-CG2 3.86Å |
| 1528 | L | 84.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.5 | -171.5 | -58.4 | -176.6 | 0 | 0 | 0 | 114.7 | S1526 N1530 L1531 V1539 M1600 R1602 F1718 | S1526-L1528 VanDerWaalsContact C-N 3.33Å; L1528-N1530 PolarHBondContact O-N 2.88Å; L1528-N1530 VanDerWaalsContact O-N 3.12Å; L1528-L1531 HydrophobicContact CB-CD1 4.41Å; L1528-L1531 HydrophobicContact CD2-CD1 4.15Å; L1528-L1531 PolarHBondContact O-N 2.96Å; L1528-L1531 VanDerWaalsContact O-N 3.17Å; L1528-V1539 HydrophobicContact CD2-CB 4.44Å; L1528-V1539 HydrophobicContact CD2-CG1 3.86Å; L1528-V1539 HydrophobicContact CD2-CG2 3.63Å; L1528-M1600 HydrophobicContact CD1-CE 4.06Å; L1528-M1600 HydrophobicContact CD2-CE 4.02Å; L1528-M1600 HydrophobicContact CG-CE 4.28Å; L1528-R1602 HydrophobicContact CB-CB 4.29Å; L1528-R1602 HydrophobicContact CB-CG 4.3Å; L1528-R1602 HydrophobicContact CD1-CB 4.13Å; L1528-R1602 PolarHBondContact O-NH1 3.01Å; L1528-F1718 HydrophobicContact CB-CD1 4.17Å; L1528-F1718 HydrophobicContact CB-CE1 3.96Å |
| 1529 | D | 75.1 | Confident | 74.7 | Confident | 36 Ų | 36 | 27.6 Ų | 27.6 | 19% | 0.193 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -48.7 | -36.7 | 175.3 | -172.4 | 60 | 0 | 0 | 0 | 112.9 | L1527 L1531 R1602 T1662 G1663 F1718 | L1527-D1529 PolarHBondContact O-N 3.32Å; L1527-D1529 VanDerWaalsContact O-N 3.14Å; D1529-L1531 PolarHBondContact O-N 2.66Å; D1529-R1602 PolarHBondContact O-NH1 3.32Å; D1529-T1662 HydrophobicContact CB-CG2 4.02Å; D1529-T1662 WeakPolarHBondContact OD2-CA 3.22Å; D1529-T1662 VanDerWaalsContact OD2-CB 3.24Å; D1529-T1662 WeakPolarHBondContact OD2-CB 3.48Å; D1529-G1663 PolarHBondContact OD2-N 2.58Å; D1529-F1718 HydrophobicContact CB-CB 3.74Å; D1529-F1718 HydrophobicContact CB-CD1 4.45Å; D1529-F1718 HydrophobicContact CB-CD2 3.78Å; D1529-F1718 HydrophobicContact CB-CG 3.73Å; D1529-F1718 WeakPolarHBondContact OD1-CD2 3.38Å |
| 1530 | N | 68.4 | Low | 75.1 | Confident | 29 Ų | 29 | 26.1 Ų | 26.1 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -79 | 5 | -173.5 | -61.6 | -83 | 0 | 0 | 0 | 114.5 | L1484 L1527 L1528 T1661 L1664 L1665 | L1484-N1530 HydrophobicContact CD2-CB 3.95Å; L1527-N1530 PolarHBondContact O-N 3.17Å; L1527-N1530 PolarHBondContact O-ND2 3.28Å; L1528-N1530 PolarHBondContact O-N 2.88Å; L1528-N1530 VanDerWaalsContact O-N 3.12Å; N1530-T1661 PolarHBondContact ND2-O 3.05Å; N1530-L1664 PolarHBondContact OD1-N 2.98Å; N1530-L1665 HydrophobicContact CB-CD1 3.91Å; N1530-L1665 HydrophobicContact CB-CG 4.26Å |
| 1531 | L | 68.4 | Low | 75.5 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -83.2 | 141.1 | 172 | -64.6 | 167.4 | 0 | 0 | 0 | 111.6 | L1484 L1528 D1529 P1533 V1539 R1602 | L1484-L1531 HydrophobicContact CD1-CD2 4.23Å; L1484-L1531 HydrophobicContact CD2-CD2 4Å; L1484-L1531 HydrophobicContact CD2-CG 4.04Å; L1528-L1531 HydrophobicContact CB-CD1 4.41Å; L1528-L1531 HydrophobicContact CD2-CD1 4.15Å; L1528-L1531 PolarHBondContact O-N 2.96Å; L1528-L1531 VanDerWaalsContact O-N 3.17Å; D1529-L1531 PolarHBondContact O-N 2.66Å; L1531-P1533 WeakPolarHBondContact O-CD 3.43Å; L1531-V1539 HydrophobicContact CD1-CG1 3.62Å; L1531-V1539 HydrophobicContact CD2-CG1 4.25Å; L1531-R1602 HydrophobicContact CD1-CB 4.31Å; L1531-R1602 PolarHBondContact O-NH1 2.81Å; L1531-R1602 VanDerWaalsContact O-NH1 3.08Å |
| 1532 | E | 59.3 | Low | 75.6 | Confident | 69 Ų | 69 | 25.7 Ų | 25.7 | 32% | 0.322 | 13% | 0.131 | S | C | . | . | trans | -71.5 | 122.2 | 173.8 | -67.5 | -174 | 155.5 | 0 | 0 | 110.8 | E1534 K1535 | E1532-E1534 VanDerWaalsContact C-N 3.27Å; E1532-E1534 PolarHBondContact O-N 2.04Å; E1532-K1535 PolarHBondContact O-N 3.48Å; E1532-K1535 IonicContact OE1-NZ 3.28Å; E1532-K1535 WeakPolarHBondContact OE2-CD 3.31Å; E1532-K1535 WeakPolarHBondContact OE2-CE 3.49Å; E1532-K1535 IonicContact OE2-NZ 3.62Å; E1532-K1535 PolarHBondContact OE2-NZ 3.15Å | ||
| 1533 | P | 51.6 | Low | 75.9 | Confident | 45 Ų | 45 | 23.2 Ų | 23.2 | 29% | 0.292 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.5 | -174.5 | -26.3 | 33.8 | 0 | 0 | 0 | 114.9 | L1531 K1535 H1922 | L1531-P1533 WeakPolarHBondContact O-CD 3.43Å; P1533-K1535 VanDerWaalsContact C-N 3.25Å; P1533-K1535 PolarHBondContact O-N 3.24Å; P1533-H1922 HydrophobicContact CB-CB 3.52Å; P1533-H1922 HydrophobicContact CG-CB 4.17Å |
| 1534 | E | 48.6 | Very low | 75.8 | Confident | 121 Ų | 121 | 25.9 Ų | 25.9 | 57% | 0.565 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -4.7 | -174.2 | -59.8 | 175.2 | 166.9 | 0 | 0 | 114.4 | E1532 | E1532-E1534 VanDerWaalsContact C-N 3.27Å; E1532-E1534 PolarHBondContact O-N 2.04Å |
| 1535 | K | 46.4 | Very low | 75.3 | Confident | 111 Ų | 111 | 26.7 Ų | 26.7 | 48% | 0.483 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -27.4 | -161.4 | -61.4 | -176.6 | -163.6 | 143 | 0 | 117.4 | K1488 E1532 P1533 | K1488-K1535 PolarHBondContact NZ-O 3.13Å; E1532-K1535 PolarHBondContact O-N 3.48Å; E1532-K1535 IonicContact OE1-NZ 3.28Å; E1532-K1535 WeakPolarHBondContact OE2-CD 3.31Å; E1532-K1535 WeakPolarHBondContact OE2-CE 3.49Å; E1532-K1535 IonicContact OE2-NZ 3.62Å; E1532-K1535 PolarHBondContact OE2-NZ 3.15Å; P1533-K1535 VanDerWaalsContact C-N 3.25Å; P1533-K1535 PolarHBondContact O-N 3.24Å |
| 1536 | S | 50.3 | Low | 74.4 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | trans | -167.5 | 122.4 | 174.1 | 24.1 | 0 | 0 | 0 | 0 | 113.3 | K1488 | K1488-S1536 WeakPolarHBondContact CE-OG 2.99Å; K1488-S1536 PolarHBondContact NZ-OG 2.96Å | ||
| 1537 | S | 66.7 | Low | 73.4 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 15% | 0.147 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -101.2 | 11 | -174.6 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | F1601 R1602 L1915 | S1537-F1601 WeakPolarHBondContact O-CD2 3.48Å; S1537-R1602 PolarHBondContact O-N 3.2Å; S1537-L1915 VanDerWaalsContact CB-CD2 3.44Å |
| 1538 | A | 79.3 | Confident | 71.9 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1600 L1623 | A1538-M1600 CarbonylContact C-O 3.46Å; A1538-M1600 VanDerWaalsContact CA-O 3.31Å; A1538-M1600 WeakPolarHBondContact CA-O 3.27Å; A1538-L1623 HydrophobicContact CB-CD1 4.17Å |
| 1539 | V | 86.7 | Confident | 70 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.5 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | L1484 L1528 L1531 S1599 M1600 S1624 V1626 | L1484-V1539 HydrophobicContact CD1-CG1 3.93Å; L1528-V1539 HydrophobicContact CD2-CB 4.44Å; L1528-V1539 HydrophobicContact CD2-CG1 3.86Å; L1528-V1539 HydrophobicContact CD2-CG2 3.63Å; L1531-V1539 HydrophobicContact CD1-CG1 3.62Å; L1531-V1539 HydrophobicContact CD2-CG1 4.25Å; V1539-S1599 CarbonylContact O-C 3.48Å; V1539-S1599 WeakPolarHBondContact O-CA 3.15Å; V1539-S1599 WeakPolarHBondContact O-CB 3.49Å; V1539-M1600 HydrophobicContact CG2-CB 4.15Å; V1539-M1600 HydrophobicContact CG2-CE 4.02Å; V1539-M1600 PolarHBondContact N-O 3.25Å; V1539-M1600 PolarHBondContact O-N 3.3Å; V1539-S1624 CarbonylContact C-O 3.47Å; V1539-S1624 WeakPolarHBondContact CA-O 3.42Å; V1539-V1626 HydrophobicContact CB-CG2 4.27Å; V1539-V1626 HydrophobicContact CG2-CG2 3.74Å |
| 1540 | W | 91.8 | Very high | 68.5 | Low | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.2 | 171.4 | -67.3 | 126.5 | 0 | 0 | 0 | 112.6 | F1489 W1491 L1512 C1597 W1615 I1621 L1623 S1624 V1626 | F1489-W1540 PolarHBondContact O-NE1 2.98Å; W1491-W1540 HydrophobicContact CB-CD2 4.03Å; W1491-W1540 HydrophobicContact CB-CE3 4.28Å; W1491-W1540 HydrophobicContact CB-CG 4.43Å; W1491-W1540 HydrophobicContact CB-CZ2 4.38Å; W1491-W1540 AromaticContact CD1-CD2 3.87Å; W1491-W1540 AromaticContact CD1-CE3 3.63Å; W1491-W1540 HydrophobicContact CG-CD2 4.38Å; W1491-W1540 HydrophobicContact CG-CE3 4.37Å; L1512-W1540 HydrophobicContact CD1-CB 4.3Å; L1512-W1540 HydrophobicContact CD2-CB 4.12Å; W1540-C1597 HydrophobicContact CZ3-CB 3.98Å; W1540-W1615 HydrophobicContact CH2-CB 3.97Å; W1540-W1615 AromaticContact CH2-CD1 3.73Å; W1540-W1615 HydrophobicContact CH2-CG 4.02Å; W1540-W1615 HydrophobicContact CZ3-CB 4.35Å; W1540-W1615 AromaticContact CZ3-CD1 3.66Å; W1540-W1615 HydrophobicContact CZ3-CG 4.31Å; W1540-I1621 HydrophobicContact CH2-CB 4.46Å; W1540-I1621 HydrophobicContact CH2-CG2 4.39Å; W1540-I1621 HydrophobicContact CZ2-CB 3.99Å; W1540-I1621 HydrophobicContact CZ2-CG2 3.97Å; W1540-I1621 WeakPolarHBondContact CZ2-O 3.04Å; W1540-I1621 PolarHBondContact NE1-O 3.24Å; W1540-L1623 HydrophobicContact CD2-CB 4.47Å; W1540-L1623 HydrophobicContact CD2-CD1 4.08Å; W1540-L1623 HydrophobicContact CE3-CD1 4.36Å; W1540-L1623 HydrophobicContact CG-CB 4.32Å; W1540-L1623 HydrophobicContact CH2-CD1 4.3Å; W1540-L1623 HydrophobicContact CZ2-CD1 4.01Å; W1540-L1623 HydrophobicContact CZ2-CG 4.24Å; W1540-L1623 HydrophobicContact CZ3-CD1 4.47Å; W1540-S1624 PolarHBondContact N-O 3.01Å; W1540-V1626 PolarHBondContact O-N 2.92Å |
| 1541 | I | 94.1 | Very high | 67.4 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 168.4 | 168.3 | 63.2 | 167.1 | 0 | 0 | 0 | 110.1 | W1491 I1515 L1543 W1556 T1598 M1600 W1612 | W1491-I1541 PolarHBondContact NE1-O 3.05Å; I1515-I1541 HydrophobicContact CD1-CD1 4.07Å; I1541-L1543 VanDerWaalsContact C-N 3.27Å; I1541-L1543 PolarHBondContact O-N 3.35Å; I1541-W1556 HydrophobicContact CD1-CH2 4.49Å; I1541-W1556 HydrophobicContact CD1-CZ3 4.43Å; I1541-T1598 HydrophobicContact CD1-CG2 3.91Å; I1541-T1598 HydrophobicContact CG1-CG2 4.06Å; I1541-T1598 WeakPolarHBondContact CG1-O 3.22Å; I1541-T1598 PolarHBondContact N-O 3.48Å; I1541-T1598 VanDerWaalsContact N-O 3.13Å; I1541-M1600 HydrophobicContact CG2-CB 3.94Å; I1541-M1600 HydrophobicContact CG2-CE 4.29Å; I1541-W1612 HydrophobicContact CD1-CD2 4.45Å |
| 1542 | G | 91.3 | Very high | 66.8 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -0.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116 | L1512 A1513 W1556 A1557 | L1512-G1542 VanDerWaalsContact CB-CA 3.43Å; A1513-G1542 WeakPolarHBondContact O-CA 3.22Å; A1513-G1542 PolarHBondContact O-N 3.38Å; G1542-W1556 CarbonylContact O-C 3.59Å; G1542-W1556 WeakPolarHBondContact O-CA 3.44Å; G1542-A1557 PolarHBondContact O-N 3.31Å |
| 1543 | L | 91.3 | Very high | 67 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.8 | -179.9 | -172.3 | 70 | 0 | 0 | 0 | 109.5 | I1541 Y1554 W1556 I1568 T1598 W1612 | I1541-L1543 VanDerWaalsContact C-N 3.27Å; I1541-L1543 PolarHBondContact O-N 3.35Å; L1543-Y1554 HydrophobicContact CD1-CD1 4.14Å; L1543-Y1554 HydrophobicContact CD2-CD1 4.08Å; L1543-Y1554 HydrophobicContact CG-CD1 4.02Å; L1543-W1556 HydrophobicContact CB-CD2 4.36Å; L1543-W1556 HydrophobicContact CB-CE3 3.81Å; L1543-W1556 HydrophobicContact CB-CH2 3.82Å; L1543-W1556 HydrophobicContact CB-CZ2 4.37Å; L1543-W1556 HydrophobicContact CB-CZ3 3.53Å; L1543-W1556 HydrophobicContact CD1-CD2 4.02Å; L1543-W1556 HydrophobicContact CD1-CE3 4.33Å; L1543-W1556 HydrophobicContact CD1-CH2 4.34Å; L1543-W1556 HydrophobicContact CD1-CZ2 4.03Å; L1543-W1556 VanDerWaalsContact N-CE3 3.25Å; L1543-W1556 VanDerWaalsContact N-CZ3 3.35Å; L1543-I1568 HydrophobicContact CD2-CD1 4.21Å; L1543-T1598 HydrophobicContact CD2-CG2 4.41Å; L1543-T1598 WeakPolarHBondContact O-CB 3.06Å; L1543-T1598 PolarHBondContact O-N 2.73Å; L1543-T1598 PolarHBondContact O-OG1 3.27Å; L1543-W1612 HydrophobicContact CD2-CE3 3.79Å; L1543-W1612 HydrophobicContact CD2-CH2 4.43Å; L1543-W1612 HydrophobicContact CD2-CZ3 3.56Å |
| 1544 | Y | 86.3 | Confident | 68.3 | Low | 63 Ų | 63 | 45.3 Ų | 45.3 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 166.5 | 172.7 | 74.5 | -73.4 | 0 | 0 | 0 | 111 | W1491 N1546 D1555 L1596 | W1491-Y1544 AromaticContact CH2-CD1 3.74Å; W1491-Y1544 HydrophobicContact CH2-CD1 3.74Å; W1491-Y1544 HydrophobicContact CH2-CD2 4.49Å; W1491-Y1544 HydrophobicContact CH2-CE1 4.33Å; W1491-Y1544 AromaticContact CH2-CG 3.84Å; W1491-Y1544 HydrophobicContact CH2-CG 3.84Å; W1491-Y1544 AromaticContact CZ2-CD1 3.84Å; W1491-Y1544 HydrophobicContact CZ2-CD1 3.84Å; W1491-Y1544 AromaticContact CZ2-CG 3.98Å; W1491-Y1544 HydrophobicContact CZ2-CG 3.98Å; Y1544-N1546 HydrophobicContact CD2-CB 4.39Å; Y1544-N1546 HydrophobicContact CE2-CB 4.16Å; Y1544-D1555 WeakPolarHBondContact CD1-O 3.35Å; Y1544-D1555 HydrophobicContact CE1-CB 4Å; Y1544-D1555 PolarHBondContact N-O 2.97Å; Y1544-D1555 PolarHBondContact O-N 3.12Å; Y1544-D1555 VanDerWaalsContact O-O 3.09Å; Y1544-L1596 CarbonylContact C-O 3.59Å; Y1544-L1596 VanDerWaalsContact CA-O 3.31Å; Y1544-L1596 WeakPolarHBondContact CA-O 3.35Å |
| 1545 | R | 80.2 | Confident | 69.8 | Low | 16 Ų | 16 | 40.8 Ų | 40.8 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 110.4 | 176 | 173.4 | 170 | 165.3 | -179 | -2 | 108.6 | V1405 L1547 Y1554 S1595 L1596 | V1405-R1545 VanDerWaalsContact CA-NH2 3.34Å; V1405-R1545 PolarHBondContact O-NH2 2.73Å; R1545-L1547 HydrophobicContact CG-CD2 4.02Å; R1545-Y1554 HydrophobicContact CB-CD1 3.88Å; R1545-Y1554 HydrophobicContact CB-CE1 3.84Å; R1545-Y1554 HydrophobicContact CB-CG 4.38Å; R1545-Y1554 VanDerWaalsContact CD-CZ 3.41Å; R1545-Y1554 PolarHBondContact NH1-OH 2.84Å; R1545-Y1554 VanDerWaalsContact NH1-OH 3.17Å; R1545-S1595 WeakPolarHBondContact O-CA 3.41Å; R1545-L1596 PolarHBondContact N-O 3.23Å; R1545-L1596 PolarHBondContact O-N 3.2Å |
| 1546 | N | 69.1 | Low | 71.9 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.7 | 179.7 | -178.2 | -10.1 | 0 | 0 | 0 | 109.7 | Y1544 S1548 | Y1544-N1546 HydrophobicContact CD2-CB 4.39Å; Y1544-N1546 HydrophobicContact CE2-CB 4.16Å; N1546-S1548 VanDerWaalsContact C-N 3.32Å; N1546-S1548 PolarHBondContact ND2-OG 2.87Å; N1546-S1548 PolarHBondContact O-N 2.85Å; N1546-S1548 WeakPolarHBondContact OD1-CB 3.2Å; N1546-S1548 PolarHBondContact OD1-N 3.04Å; N1546-S1548 PolarHBondContact OD1-OG 3.13Å |
| 1547 | L | 66.3 | Low | 73.7 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.9 | -177.9 | -53.4 | 174.8 | 0 | 0 | 0 | 113.4 | R1545 H1552 M1594 L1596 | R1545-L1547 HydrophobicContact CG-CD2 4.02Å; L1547-H1552 PolarHBondContact O-CE1 2.94Å; L1547-H1552 PolarHBondContact O-ND1 3.04Å; L1547-M1594 WeakPolarHBondContact CB-O 3.27Å; L1547-M1594 HydrophobicContact CD1-CE 4.41Å; L1547-M1594 VanDerWaalsContact CG-O 3.31Å; L1547-M1594 WeakPolarHBondContact CG-O 3.49Å; L1547-M1594 PolarHBondContact N-O 3.26Å; L1547-L1596 HydrophobicContact CD1-CD1 4.33Å; L1547-L1596 HydrophobicContact CD1-CG 4.31Å |
| 1548 | S | 54.3 | Low | 74.5 | Confident | 54 Ų | 54 | 37 Ų | 37 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.6 | -171.6 | 67.9 | 0 | 0 | 0 | 0 | 116.9 | N1546 S1593 | N1546-S1548 VanDerWaalsContact C-N 3.32Å; N1546-S1548 PolarHBondContact ND2-OG 2.87Å; N1546-S1548 PolarHBondContact O-N 2.85Å; N1546-S1548 WeakPolarHBondContact OD1-CB 3.2Å; N1546-S1548 PolarHBondContact OD1-N 3.04Å; N1546-S1548 PolarHBondContact OD1-OG 3.13Å; S1548-S1593 VanDerWaalsContact CB-CB 3.45Å |
| 1549 | H | 43.6 | Very low | 74.6 | Confident | 125 Ų | 125 | 39.4 Ų | 39.4 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -121.4 | 139.6 | 175.5 | -69.1 | -73.3 | 0 | 0 | 0 | 110.4 | S1551 H1552 | H1549-S1551 CarbonylContact O-C 3.5Å; H1549-S1551 VanDerWaalsContact O-C 3.25Å; H1549-S1551 PolarHBondContact O-N 2.8Å; H1549-H1552 PolarHBondContact O-CE1 2.94Å; H1549-H1552 VanDerWaalsContact O-CG 3.32Å; H1549-H1552 PolarHBondContact O-N 2.84Å; H1549-H1552 PolarHBondContact O-ND1 3.12Å |
| 1550 | N | 44.1 | Very low | 74.5 | Confident | 159 Ų | 159 | 44.3 Ų | 44.3 | 85% | 0.85 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -51.8 | -22.2 | 179.4 | -60.4 | 26.3 | 0 | 0 | 0 | 114.2 | H1552 | N1550-H1552 PolarHBondContact O-CD2 2.84Å; N1550-H1552 VanDerWaalsContact O-CD2 3.28Å; N1550-H1552 PolarHBondContact O-N 3.17Å |
| 1551 | S | 45 | Very low | 73.9 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 58% | 0.58 | 27% | 0.267 | S | S | * | . | trans | -76.1 | 64.1 | 163.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | H1549 S1553 | H1549-S1551 CarbonylContact O-C 3.5Å; H1549-S1551 VanDerWaalsContact O-C 3.25Å; H1549-S1551 PolarHBondContact O-N 2.8Å; S1551-S1553 PolarHBondContact O-N 2.8Å | ||
| 1552 | H | 56.9 | Low | 73.3 | Confident | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.296 | 27% | 0.269 | S | S | . | . | trans | -74 | 35.9 | -175.2 | -55.9 | -74.7 | 0 | 0 | 0 | 114.6 | V1405 L1547 H1549 N1550 | V1405-H1552 HydrophobicContact CG2-CB 3.23Å; L1547-H1552 PolarHBondContact O-CE1 2.94Å; L1547-H1552 PolarHBondContact O-ND1 3.04Å; H1549-H1552 PolarHBondContact O-CE1 2.94Å; H1549-H1552 VanDerWaalsContact O-CG 3.32Å; H1549-H1552 PolarHBondContact O-N 2.84Å; H1549-H1552 PolarHBondContact O-ND1 3.12Å; N1550-H1552 PolarHBondContact O-CD2 2.84Å; N1550-H1552 VanDerWaalsContact O-CD2 3.28Å; N1550-H1552 PolarHBondContact O-N 3.17Å | ||
| 1553 | S | 62.4 | Low | 72.7 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | trans | -71.9 | 163.2 | 178.9 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | S1551 D1555 K1561 | S1551-S1553 PolarHBondContact O-N 2.8Å; S1553-D1555 PolarHBondContact OG-OD2 3.38Å; S1553-K1561 PolarHBondContact OG-NZ 3.12Å | ||
| 1554 | Y | 79.2 | Confident | 72.2 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.6 | 156.1 | -76.9 | -88.9 | 0 | 0 | 0 | 109.9 | I1409 L1543 R1545 P1562 I1568 Q1614 | I1409-Y1554 HydrophobicContact CD1-CD2 4.45Å; I1409-Y1554 HydrophobicContact CD1-CE2 3.58Å; L1543-Y1554 HydrophobicContact CD1-CD1 4.14Å; L1543-Y1554 HydrophobicContact CD2-CD1 4.08Å; L1543-Y1554 HydrophobicContact CG-CD1 4.02Å; R1545-Y1554 HydrophobicContact CB-CD1 3.88Å; R1545-Y1554 HydrophobicContact CB-CE1 3.84Å; R1545-Y1554 HydrophobicContact CB-CG 4.38Å; R1545-Y1554 VanDerWaalsContact CD-CZ 3.41Å; R1545-Y1554 PolarHBondContact NH1-OH 2.84Å; R1545-Y1554 VanDerWaalsContact NH1-OH 3.17Å; Y1554-P1562 VanDerWaalsContact O-CD 3.23Å; Y1554-P1562 WeakPolarHBondContact O-CD 3.35Å; Y1554-I1568 HydrophobicContact CE1-CD1 3.83Å; Y1554-Q1614 PolarHBondContact OH-OE1 3.2Å; Y1554-Q1614 VanDerWaalsContact OH-OE1 3.09Å |
| 1555 | D | 81.3 | Confident | 72 | Confident | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.5 | -178.7 | -82.6 | -81.4 | 0 | 0 | 0 | 110.3 | Y1544 S1553 K1561 | Y1544-D1555 WeakPolarHBondContact CD1-O 3.35Å; Y1544-D1555 HydrophobicContact CE1-CB 4Å; Y1544-D1555 PolarHBondContact N-O 2.97Å; Y1544-D1555 PolarHBondContact O-N 3.12Å; Y1544-D1555 VanDerWaalsContact O-O 3.09Å; S1553-D1555 PolarHBondContact OG-OD2 3.38Å; D1555-K1561 WeakPolarHBondContact OD1-CD 3.25Å; D1555-K1561 VanDerWaalsContact OD1-CE 3.27Å; D1555-K1561 WeakPolarHBondContact OD1-CE 3.06Å; D1555-K1561 IonicContact OD1-NZ 2.84Å; D1555-K1561 PolarHBondContact OD1-NZ 2.7Å; D1555-K1561 IonicContact OD2-NZ 3.03Å; D1555-K1561 PolarHBondContact OD2-NZ 2.76Å |
| 1556 | W | 89.9 | Confident | 72 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 150 | 174.2 | -67.7 | 104 | 0 | 0 | 0 | 111.4 | A1513 R1514 I1515 I1541 G1542 L1543 D1558 G1559 K1560 W1612 | A1513-W1556 VanDerWaalsContact O-CZ3 3.28Å; A1513-W1556 WeakPolarHBondContact O-CZ3 3.35Å; R1514-W1556 VanDerWaalsContact CA-CE3 3.49Å; R1514-W1556 HydrophobicContact CB-CB 4.33Å; R1514-W1556 HydrophobicContact CB-CD2 4.02Å; R1514-W1556 HydrophobicContact CB-CE3 4.03Å; R1514-W1556 HydrophobicContact CB-CG 4.15Å; R1514-W1556 HydrophobicContact CG-CB 4.08Å; R1514-W1556 HydrophobicContact CG-CD2 3.63Å; R1514-W1556 HydrophobicContact CG-CE3 4.14Å; R1514-W1556 HydrophobicContact CG-CG 3.57Å; I1515-W1556 HydrophobicContact CB-CH2 3.63Å; I1515-W1556 HydrophobicContact CB-CZ2 3.93Å; I1515-W1556 HydrophobicContact CD1-CH2 4.24Å; I1515-W1556 HydrophobicContact CG1-CH2 3.87Å; I1515-W1556 HydrophobicContact CG1-CZ3 4.41Å; I1515-W1556 VanDerWaalsContact N-CH2 3.33Å; I1515-W1556 WeakPolarHBondContact O-CZ2 3.25Å; I1541-W1556 HydrophobicContact CD1-CH2 4.49Å; I1541-W1556 HydrophobicContact CD1-CZ3 4.43Å; G1542-W1556 CarbonylContact O-C 3.59Å; G1542-W1556 WeakPolarHBondContact O-CA 3.44Å; L1543-W1556 HydrophobicContact CB-CD2 4.36Å; L1543-W1556 HydrophobicContact CB-CE3 3.81Å; L1543-W1556 HydrophobicContact CB-CH2 3.82Å; L1543-W1556 HydrophobicContact CB-CZ2 4.37Å; L1543-W1556 HydrophobicContact CB-CZ3 3.53Å; L1543-W1556 HydrophobicContact CD1-CD2 4.02Å; L1543-W1556 HydrophobicContact CD1-CE3 4.33Å; L1543-W1556 HydrophobicContact CD1-CH2 4.34Å; L1543-W1556 HydrophobicContact CD1-CZ2 4.03Å; L1543-W1556 VanDerWaalsContact N-CE3 3.25Å; L1543-W1556 VanDerWaalsContact N-CZ3 3.35Å; W1556-D1558 PolarHBondContact O-N 2.97Å; W1556-G1559 PolarHBondContact O-N 2.73Å; W1556-K1560 WeakPolarHBondContact CB-O 3.15Å; W1556-K1560 PolarHBondContact N-O 3.15Å; W1556-W1612 HydrophobicContact CH2-CH2 4.32Å; W1556-W1612 HydrophobicContact CZ2-CH2 4.37Å |
| 1557 | A | 87.6 | Confident | 72.4 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -10.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1491 L1512 G1542 | W1491-A1557 HydrophobicContact CH2-CB 4.16Å; W1491-A1557 HydrophobicContact CZ2-CB 4.05Å; L1512-A1557 HydrophobicContact CB-CB 4.24Å; G1542-A1557 PolarHBondContact O-N 3.31Å |
| 1558 | D | 85 | Confident | 72.9 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.1 | 171.5 | 62.1 | 15.2 | 0 | 0 | 0 | 114.1 | R1514 W1556 K1560 Q1628 | R1514-D1558 WeakPolarHBondContact CD-OD2 3.29Å; R1514-D1558 IonicContact CZ-OD2 2.96Å; R1514-D1558 IonicContact NE-OD2 3.95Å; R1514-D1558 IonicContact NH1-OD2 3.75Å; R1514-D1558 PolarHBondContact NH1-OD2 3.35Å; W1556-D1558 PolarHBondContact O-N 2.97Å; D1558-K1560 WeakPolarHBondContact OD1-CB 3.46Å; D1558-K1560 PolarHBondContact OD1-N 3.23Å; D1558-Q1628 PolarHBondContact OD2-NE2 2.94Å |
| 1559 | G | 80 | Confident | 73.7 | Confident | 59 Ų | 59 | 47 Ų | 47 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 85.2 | 4.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W1556 | W1556-G1559 PolarHBondContact O-N 2.73Š|
| 1560 | K | 84.2 | Confident | 74.7 | Confident | 103 Ų | 103 | 42 Ų | 42 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -83 | 147.4 | 172.5 | -66.8 | -151.1 | -167.4 | 173.3 | 0 | 112.6 | R1514 W1556 D1558 | R1514-K1560 VanDerWaalsContact NH2-NZ 3.16Å; W1556-K1560 WeakPolarHBondContact CB-O 3.15Å; W1556-K1560 PolarHBondContact N-O 3.15Å; D1558-K1560 WeakPolarHBondContact OD1-CB 3.46Å; D1558-K1560 PolarHBondContact OD1-N 3.23Å |
| 1561 | K | 79.4 | Confident | 75.1 | Confident | 93 Ų | 93 | 36.2 Ų | 36.2 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 151.7 | 165.7 | -65.7 | -65.4 | 172.1 | -163.6 | 0 | 110.8 | S1553 D1555 | S1553-K1561 PolarHBondContact OG-NZ 3.12Å; D1555-K1561 WeakPolarHBondContact OD1-CD 3.25Å; D1555-K1561 VanDerWaalsContact OD1-CE 3.27Å; D1555-K1561 WeakPolarHBondContact OD1-CE 3.06Å; D1555-K1561 IonicContact OD1-NZ 2.84Å; D1555-K1561 PolarHBondContact OD1-NZ 2.7Å; D1555-K1561 IonicContact OD2-NZ 3.03Å; D1555-K1561 PolarHBondContact OD2-NZ 2.76Å |
| 1562 | P | 81.3 | Confident | 75.1 | Confident | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 152.9 | 173 | 27.8 | -35.2 | 0 | 0 | 0 | 112.2 | I1400 Y1554 I1565 | I1400-P1562 CarbonylContact O-C 3.6Å; Y1554-P1562 VanDerWaalsContact O-CD 3.23Å; Y1554-P1562 WeakPolarHBondContact O-CD 3.35Å; P1562-I1565 HydrophobicContact CB-CD1 3.87Å; P1562-I1565 HydrophobicContact CB-CG1 3.94Å; P1562-I1565 HydrophobicContact CG-CD1 3.89Å |
| 1563 | Q | 78.8 | Confident | 74.3 | Confident | 92 Ų | 92 | 40.1 Ų | 40.1 | 43% | 0.43 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -122.4 | -18.7 | 164.6 | -63 | -177.3 | -78.3 | 0 | 0 | 111.6 | D1399 | D1399-Q1563 PolarHBondContact OD2-NE2 3.1Š|
| 1564 | F | 81.5 | Confident | 73.3 | Confident | 32 Ų | 32 | 40 Ų | 40 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | trans | -137.5 | 129.5 | -178 | 171.1 | -92.9 | 0 | 0 | 0 | 109.6 | A1391 I1515 D1516 Q1521 K1566 W1612 | A1391-F1564 HydrophobicContact CB-CD2 4.03Å; A1391-F1564 HydrophobicContact CB-CE2 3.32Å; A1391-F1564 HydrophobicContact CB-CZ 3.78Å; I1515-F1564 HydrophobicContact CG2-CD1 3.7Å; I1515-F1564 HydrophobicContact CG2-CE1 3.88Å; D1516-F1564 VanDerWaalsContact C-CB 3.48Å; D1516-F1564 WeakPolarHBondContact O-CB 3.49Å; Q1521-F1564 HydrophobicContact CB-CE1 4.16Å; Q1521-F1564 HydrophobicContact CB-CZ 4.43Å; F1564-K1566 HydrophobicContact CE1-CD 4.46Å; F1564-K1566 HydrophobicContact CE1-CG 3.82Å; F1564-K1566 HydrophobicContact CZ-CG 3.95Å; F1564-W1612 HydrophobicContact CD1-CH2 4.27Å; F1564-W1612 HydrophobicContact CD1-CZ2 4.35Å; F1564-W1612 HydrophobicContact CE1-CH2 4.44Å; F1564-W1612 HydrophobicContact CE1-CZ2 4.16Å | ||
| 1565 | I | 81.3 | Confident | 71.3 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -136.8 | 129 | -180 | -68.8 | 176.8 | 0 | 0 | 0 | 108.9 | A1391 Y1392 I1403 P1562 W1612 | A1391-I1565 WeakPolarHBondContact CA-O 3.03Å; Y1392-I1565 HydrophobicContact CD2-CG2 4.1Å; Y1392-I1565 HydrophobicContact CE2-CG2 4.44Å; Y1392-I1565 PolarHBondContact N-O 3.03Å; I1403-I1565 HydrophobicContact CD1-CD1 3.59Å; I1403-I1565 HydrophobicContact CD1-CG2 4.39Å; I1403-I1565 HydrophobicContact CG1-CD1 4.33Å; P1562-I1565 HydrophobicContact CB-CD1 3.87Å; P1562-I1565 HydrophobicContact CB-CG1 3.94Å; P1562-I1565 HydrophobicContact CG-CD1 3.89Å; I1565-W1612 HydrophobicContact CB-CZ3 4.45Å; I1565-W1612 HydrophobicContact CG2-CZ3 4.28Å | ||
| 1566 | K | 81.6 | Confident | 69 | Low | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | trans | -87.4 | 159.2 | 166.8 | -62.6 | -165.4 | 62.7 | 178.7 | 0 | 110.9 | F1390 Q1521 F1564 I1568 G1610 W1612 | F1390-K1566 WeakPolarHBondContact O-CA 3.48Å; F1390-K1566 WeakPolarHBondContact O-CB 3.38Å; F1390-K1566 VanDerWaalsContact O-CE 3.28Å; F1390-K1566 WeakPolarHBondContact O-CE 3.5Å; F1390-K1566 VanDerWaalsContact O-CG 3.26Å; F1390-K1566 WeakPolarHBondContact O-CG 3.19Å; Q1521-K1566 HydrophobicContact CG-CD 4.15Å; Q1521-K1566 VanDerWaalsContact OE1-CD 3.29Å; F1564-K1566 HydrophobicContact CE1-CD 4.46Å; F1564-K1566 HydrophobicContact CE1-CG 3.82Å; F1564-K1566 HydrophobicContact CZ-CG 3.95Å; K1566-I1568 PolarHBondContact O-N 3.21Å; K1566-G1610 PolarHBondContact NZ-O 2.76Å; K1566-W1612 HydrophobicContact CB-CD2 3.89Å; K1566-W1612 HydrophobicContact CB-CE3 4.02Å; K1566-W1612 HydrophobicContact CB-CG 4.34Å; K1566-W1612 HydrophobicContact CB-CH2 4.44Å; K1566-W1612 HydrophobicContact CB-CZ2 4.3Å; K1566-W1612 HydrophobicContact CB-CZ3 4.3Å; K1566-W1612 HydrophobicContact CD-CZ2 4.37Å; K1566-W1612 HydrophobicContact CG-CD2 4.31Å; K1566-W1612 HydrophobicContact CG-CH2 4.37Å; K1566-W1612 HydrophobicContact CG-CZ2 3.94Å | ||
| 1567 | P | 77.3 | Confident | 66.3 | Low | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | trans | -52.8 | 139 | 162.1 | -19 | 28.8 | 0 | 0 | 0 | 110.7 | E1387 F1390 Y1392 K1411 | E1387-P1567 HydrophobicContact CG-CG 4.41Å; E1387-P1567 WeakPolarHBondContact OE1-CG 3.45Å; F1390-P1567 WeakPolarHBondContact O-CD 3.23Å; Y1392-P1567 HydrophobicContact CE1-CG 4.31Å; Y1392-P1567 HydrophobicContact CE2-CG 4.3Å; Y1392-P1567 WeakPolarHBondContact OH-CB 3.38Å; Y1392-P1567 WeakPolarHBondContact OH-CG 3.5Å; K1411-P1567 HydrophobicContact CB-CB 3.92Å; K1411-P1567 HydrophobicContact CD-CB 3.79Å; K1411-P1567 HydrophobicContact CD-CG 4Å; K1411-P1567 HydrophobicContact CG-CB 4.49Å | ||
| 1568 | I | 76 | Confident | 63.8 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 144.6 | -178.1 | -61.8 | -179 | 0 | 0 | 0 | 108.1 | I1409 S1410 K1411 L1543 Y1554 K1566 W1612 Q1614 | I1409-I1568 HydrophobicContact CD1-CD1 4.06Å; I1409-I1568 PolarHBondContact O-N 3.03Å; I1409-I1568 VanDerWaalsContact O-N 3.11Å; S1410-I1568 VanDerWaalsContact CA-O 3.3Å; S1410-I1568 WeakPolarHBondContact CA-O 3.31Å; K1411-I1568 PolarHBondContact N-O 3.08Å; L1543-I1568 HydrophobicContact CD2-CD1 4.21Å; Y1554-I1568 HydrophobicContact CE1-CD1 3.83Å; K1566-I1568 PolarHBondContact O-N 3.21Å; I1568-W1612 HydrophobicContact CD1-CE3 4.27Å; I1568-W1612 HydrophobicContact CG1-CB 4.27Å; I1568-W1612 HydrophobicContact CG1-CE3 4.04Å; I1568-Q1614 HydrophobicContact CG2-CB 3.4Å; I1568-Q1614 VanDerWaalsContact CG2-CB 3.4Å; I1568-Q1614 HydrophobicContact CG2-CG 4.47Å |
| 1569 | I | 71.5 | Confident | 61.3 | Low | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140 | 172.5 | -48.3 | -177 | 0 | 0 | 0 | 108.5 | I1611 W1612 L1613 Q1614 L1906 I1911 | I1569-I1611 HydrophobicContact CD1-CD1 4.21Å; I1569-W1612 PolarHBondContact N-O 2.81Å; I1569-L1613 HydrophobicContact CB-CD2 4.03Å; I1569-L1613 CarbonylContact O-C 3.6Å; I1569-L1613 WeakPolarHBondContact O-CA 3.29Å; I1569-Q1614 PolarHBondContact O-N 3.01Å; I1569-L1906 HydrophobicContact CD1-CB 4.48Å; I1569-L1906 HydrophobicContact CD1-CD1 4.32Å; I1569-L1906 HydrophobicContact CD1-CD2 4.49Å; I1569-I1911 HydrophobicContact CB-CD1 4.46Å; I1569-I1911 HydrophobicContact CD1-CD1 3.54Å; I1569-I1911 HydrophobicContact CG2-CD1 3.87Å |
| 1570 | R | 63.8 | Low | 58.9 | Low | 22 Ų | 22 | 55 Ų | 55 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 168.7 | -178.9 | -62.5 | -179.5 | -175.9 | 138.8 | 13.4 | 110.5 | L1574 S1578 Q1614 F1908 | R1570-L1574 HydrophobicContact CB-CB 4.47Å; R1570-S1578 PolarHBondContact NH1-OG 3.44Å; R1570-Q1614 HydrophobicContact CG-CB 4.39Å; R1570-F1908 WeakPolarHBondContact O-CD2 3.47Å |
| 1571 | D | 54.2 | Low | 56.3 | Low | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | trans | -82.8 | 147.4 | 163.4 | -171 | -32.4 | 0 | 0 | 0 | 108.8 | Q1573 L1574 S1575 F1908 | D1571-Q1573 PolarHBondContact O-N 3.5Å; D1571-Q1573 PolarHBondContact OD1-N 2.9Å; D1571-Q1573 VanDerWaalsContact OD1-N 3.08Å; D1571-L1574 HydrophobicContact CB-CD1 4.44Å; D1571-L1574 CarbonylContact O-C 3.44Å; D1571-L1574 WeakPolarHBondContact O-CA 3.43Å; D1571-L1574 WeakPolarHBondContact O-CB 3.27Å; D1571-L1574 PolarHBondContact O-N 3.27Å; D1571-S1575 PolarHBondContact O-N 2.73Å; D1571-F1908 HydrophobicContact CB-CD2 4.38Å; D1571-F1908 HydrophobicContact CB-CE2 4.04Å; D1571-F1908 HydrophobicContact CB-CZ 4.3Å | ||
| 1572 | H | 44 | Very low | 54.1 | Low | 78 Ų | 78 | 54 Ų | 54 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.3 | -29.3 | 174.6 | -85.7 | -82.8 | 0 | 0 | 0 | 112.9 | E1412 L1574 S1575 D1907 | E1412-H1572 IonicContact OE1-CD2 3.98Å; E1412-H1572 IonicContact OE1-CE1 2.91Å; E1412-H1572 IonicContact OE1-CG 3.34Å; E1412-H1572 IonicContact OE1-ND1 2.61Å; E1412-H1572 IonicContact OE1-NE2 3.76Å; H1572-L1574 PolarHBondContact O-N 3.33Å; H1572-S1575 WeakPolarHBondContact CA-OG 3.34Å; H1572-S1575 PolarHBondContact O-N 2.72Å; H1572-S1575 PolarHBondContact O-OG 3.1Å; H1572-S1575 VanDerWaalsContact O-OG 3.05Å; H1572-D1907 IonicContact CD2-OD1 3.53Å; H1572-D1907 IonicContact CE1-OD1 3.19Å; H1572-D1907 IonicContact NE2-OD1 3.27Å; H1572-D1907 PolarHBondContact NE2-OD1 2.72Å |
| 1573 | Q | 39.8 | Very low | 51.7 | Low | 150 Ų | 150 | 54.1 Ų | 54.1 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.4 | -14.1 | 173.8 | -58.9 | -151.1 | 10.8 | 0 | 0 | 113.3 | D1571 Y1577 | D1571-Q1573 PolarHBondContact O-N 3.5Å; D1571-Q1573 PolarHBondContact OD1-N 2.9Å; D1571-Q1573 VanDerWaalsContact OD1-N 3.08Å; Q1573-Y1577 WeakPolarHBondContact O-CE2 3.4Å |
| 1574 | L | 41 | Very low | 49.1 | Very low | 20 Ų | 20 | 52.8 Ų | 52.8 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -103.8 | -26.3 | 174.3 | -68.5 | 167.2 | 0 | 0 | 0 | 113.1 | R1570 D1571 H1572 L1576 Y1577 L1596 Q1614 | R1570-L1574 HydrophobicContact CB-CB 4.47Å; D1571-L1574 HydrophobicContact CB-CD1 4.44Å; D1571-L1574 CarbonylContact O-C 3.44Å; D1571-L1574 WeakPolarHBondContact O-CA 3.43Å; D1571-L1574 WeakPolarHBondContact O-CB 3.27Å; D1571-L1574 PolarHBondContact O-N 3.27Å; H1572-L1574 PolarHBondContact O-N 3.33Å; L1574-L1576 PolarHBondContact O-N 2.88Å; L1574-Y1577 HydrophobicContact CD2-CD2 4.47Å; L1574-Y1577 PolarHBondContact O-N 3.21Å; L1574-L1596 HydrophobicContact CD2-CD2 3.82Å; L1574-Q1614 WeakPolarHBondContact CD1-O 3.13Å |
| 1575 | S | 38.1 | Very low | 46.7 | Very low | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -35 | 176.7 | 73.3 | 0 | 0 | 0 | 0 | 111.9 | D1571 H1572 Y1577 S1578 H1579 | D1571-S1575 PolarHBondContact O-N 2.73Å; H1572-S1575 WeakPolarHBondContact CA-OG 3.34Å; H1572-S1575 PolarHBondContact O-N 2.72Å; H1572-S1575 PolarHBondContact O-OG 3.1Å; H1572-S1575 VanDerWaalsContact O-OG 3.05Å; S1575-Y1577 PolarHBondContact O-N 2.93Å; S1575-Y1577 VanDerWaalsContact O-N 3.13Å; S1575-S1578 WeakPolarHBondContact O-CB 3.13Å; S1575-S1578 PolarHBondContact O-N 3.26Å; S1575-S1578 PolarHBondContact O-OG 2.89Å; S1575-H1579 PolarHBondContact O-CD2 3.45Å |
| 1576 | L | 32.4 | Very low | 44.4 | Very low | 118 Ų | 118 | 62.5 Ų | 62.5 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -49.5 | -31.9 | 169.6 | -75.9 | 165.7 | 0 | 0 | 0 | 114.7 | L1574 T1580 | L1574-L1576 PolarHBondContact O-N 2.88Å; L1576-T1580 PolarHBondContact O-OG1 3.07Å |
| 1577 | Y | 32.7 | Very low | 41.8 | Very low | 95 Ų | 95 | 64.4 Ų | 64.4 | 37% | 0.373 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -82.8 | -21.3 | 178.8 | -69.2 | -88.6 | 0 | 0 | 0 | 113.1 | Q1573 L1574 S1575 T1580 F1581 M1594 | Q1573-Y1577 WeakPolarHBondContact O-CE2 3.4Å; L1574-Y1577 HydrophobicContact CD2-CD2 4.47Å; L1574-Y1577 PolarHBondContact O-N 3.21Å; S1575-Y1577 PolarHBondContact O-N 2.93Å; S1575-Y1577 VanDerWaalsContact O-N 3.13Å; Y1577-T1580 WeakPolarHBondContact CA-OG1 3.47Å; Y1577-T1580 PolarHBondContact O-OG1 2.74Å; Y1577-F1581 HydrophobicContact CD1-CE2 4.47Å; Y1577-M1594 HydrophobicContact CD1-CE 3.69Å; Y1577-M1594 HydrophobicContact CD2-CE 4.06Å; Y1577-M1594 HydrophobicContact CE1-CE 3.83Å; Y1577-M1594 HydrophobicContact CE1-SD 4.14Å; Y1577-M1594 HydrophobicContact CE2-CE 4.19Å; Y1577-M1594 HydrophobicContact CG-CE 3.8Å |
| 1578 | S | 35.1 | Very low | 39.5 | Very low | 39 Ų | 39 | 69.6 Ų | 69.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 175.6 | -13.4 | 0 | 0 | 0 | 0 | 111.8 | R1570 S1575 T1580 | R1570-S1578 PolarHBondContact NH1-OG 3.44Å; S1575-S1578 WeakPolarHBondContact O-CB 3.13Å; S1575-S1578 PolarHBondContact O-N 3.26Å; S1575-S1578 PolarHBondContact O-OG 2.89Å; S1578-T1580 VanDerWaalsContact C-N 3.34Å; S1578-T1580 PolarHBondContact O-N 3.21Å |
| 1579 | H | 32.7 | Very low | 37.4 | Very low | 151 Ų | 151 | 72.3 Ų | 72.3 | 70% | 0.699 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -79.6 | -14.3 | -174.9 | -66.2 | -66.5 | 0 | 0 | 0 | 114.1 | S1575 S1583 | S1575-H1579 PolarHBondContact O-CD2 3.45Å; H1579-S1583 PolarHBondContact O-OG 3.24Å |
| 1580 | T | 30.3 | Very low | 35.4 | Very low | 55 Ų | 55 | 81.7 Ų | 81.7 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -101.8 | -15.5 | -178.2 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | L1576 Y1577 S1578 S1583 | L1576-T1580 PolarHBondContact O-OG1 3.07Å; Y1577-T1580 WeakPolarHBondContact CA-OG1 3.47Å; Y1577-T1580 PolarHBondContact O-OG1 2.74Å; S1578-T1580 VanDerWaalsContact C-N 3.34Å; S1578-T1580 PolarHBondContact O-N 3.21Å; T1580-S1583 WeakPolarHBondContact CA-OG 3.25Å; T1580-S1583 PolarHBondContact O-OG 2.69Å |
| 1581 | F | 30.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 84.5 Ų | 84.5 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -98.5 | -11.6 | -173.1 | -105.5 | -80.3 | 0 | 0 | 0 | 116.7 | Y1577 S1583 L1591 | Y1577-F1581 HydrophobicContact CD1-CE2 4.47Å; F1581-S1583 PolarHBondContact O-N 3.01Å; F1581-L1591 HydrophobicContact CZ-CD1 4.17Å |
| 1582 | V | 32.5 | Very low | 33.6 | Very low | 64 Ų | 64 | 91.6 Ų | 91.6 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -72.1 | -8.8 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | N1431 | N1431-V1582 VanDerWaalsContact OD1-CG1 3.29Å; N1431-V1582 WeakPolarHBondContact OD1-CG1 3.44Å |
| 1583 | S | 30.1 | Very low | 33.6 | Very low | 9 Ų | 9 | 91.1 Ų | 91.1 | 6% | 0.063 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -150.8 | 38 | -135.5 | 42.4 | 0 | 0 | 0 | 0 | 114.1 | H1579 T1580 F1581 K2141 Y2142 | H1579-S1583 PolarHBondContact O-OG 3.24Å; T1580-S1583 WeakPolarHBondContact CA-OG 3.25Å; T1580-S1583 PolarHBondContact O-OG 2.69Å; F1581-S1583 PolarHBondContact O-N 3.01Å; S1583-K2141 CarbonylContact O-C 3.56Å; S1583-Y2142 WeakPolarHBondContact CB-O 3.1Å; S1583-Y2142 VanDerWaalsContact O-CB 3.28Å; S1583-Y2142 WeakPolarHBondContact O-CB 3.49Å; S1583-Y2142 VanDerWaalsContact O-CG 3.24Å; S1583-Y2142 PolarHBondContact O-N 3.46Å |
| 1584 | R | 25.7 | Very low | 34.5 | Very low | 64 Ų | 64 | 85.3 Ų | 85.3 | 24% | 0.242 | 45% | 0.446 | C | S | . | . | trans | -166.6 | 115.8 | 144.6 | -174.7 | 159.4 | -66.8 | -179.6 | 23.7 | 114.4 | T1586 I1587 D2140 K2141 Y2142 | R1584-T1586 VanDerWaalsContact C-N 3.33Å; R1584-T1586 PolarHBondContact O-N 2.83Å; R1584-I1587 HydrophobicContact CG-CG1 4.41Å; R1584-D2140 WeakPolarHBondContact CD-O 3.48Å; R1584-D2140 IonicContact CZ-OD1 3.78Å; R1584-D2140 IonicContact CZ-OD2 3.81Å; R1584-D2140 PolarHBondContact NE-O 2.79Å; R1584-D2140 IonicContact NH1-OD1 3.65Å; R1584-D2140 IonicContact NH1-OD2 2.77Å; R1584-D2140 PolarHBondContact NH1-OD2 3.37Å; R1584-D2140 PolarHBondContact NH2-O 3.27Å; R1584-D2140 IonicContact NH2-OD1 3.37Å; R1584-D2140 PolarHBondContact NH2-OD1 2.88Å; R1584-D2140 IonicContact NH2-OD2 3.04Å; R1584-D2140 PolarHBondContact NH2-OD2 3.34Å; R1584-K2141 VanDerWaalsContact CZ-O 3.22Å; R1584-K2141 PolarHBondContact NE-O 3.31Å; R1584-K2141 VanDerWaalsContact NH2-CD 3.27Å; R1584-K2141 VanDerWaalsContact NH2-CE 3.27Å; R1584-K2141 PolarHBondContact NH2-O 2.9Å; R1584-Y2142 HydrophobicContact CB-CD2 4.3Å; R1584-Y2142 HydrophobicContact CB-CE2 4.08Å; R1584-Y2142 HydrophobicContact CG-CD2 4.36Å; R1584-Y2142 HydrophobicContact CG-CE2 3.72Å | ||
| 1585 | T | 30.2 | Very low | 36 | Very low | 128 Ų | 128 | 85.2 Ų | 85.2 | 79% | 0.785 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.1 | 173.9 | 18.3 | 0 | 0 | 0 | 0 | 115.4 | Y2142 | T1585-Y2142 PolarHBondContact N-OH 3.23Å; T1585-Y2142 VanDerWaalsContact N-OH 3.09Å; T1585-Y2142 WeakPolarHBondContact OG1-CE1 3.43Å; T1585-Y2142 PolarHBondContact OG1-OH 3.05Å |
| 1586 | T | 32.6 | Very low | 38 | Very low | 111 Ų | 111 | 85.1 Ų | 85.1 | 68% | 0.681 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 24.2 | -170.6 | 23.1 | 0 | 0 | 0 | 0 | 117 | R1584 Y2142 | R1584-T1586 VanDerWaalsContact C-N 3.33Å; R1584-T1586 PolarHBondContact O-N 2.83Å; T1586-Y2142 PolarHBondContact OG1-OH 2.73Å |
| 1587 | I | 28.3 | Very low | 40.6 | Very low | 65 Ų | 65 | 79.5 Ų | 79.5 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | trans | -121.2 | 102 | 163.1 | -67.7 | 176.7 | 0 | 0 | 0 | 110.6 | R1584 I1589 D2140 | R1584-I1587 HydrophobicContact CG-CG1 4.41Å; I1587-I1589 HydrophobicContact CG2-CB 4.48Å; I1587-I1589 HydrophobicContact CG2-CD1 3.37Å; I1587-I1589 HydrophobicContact CG2-CG1 3.47Å; I1587-I1589 VanDerWaalsContact CG2-CG1 3.47Å; I1587-I1589 PolarHBondContact O-N 3.43Å; I1587-D2140 HydrophobicContact CD1-CB 3.66Å | ||
| 1588 | S | 28.3 | Very low | 43.3 | Very low | 120 Ų | 120 | 75 Ų | 75 | 84% | 0.839 | 40% | 0.398 | S | S | * | . | trans | -80.7 | 57.4 | 174.7 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | K1590 | S1588-K1590 PolarHBondContact O-N 3.31Š| ||
| 1589 | I | 32.7 | Very low | 45.7 | Very low | 57 Ų | 57 | 73.1 Ų | 73.1 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | trans | -62.9 | 127.3 | 160.7 | -61 | 139 | 0 | 0 | 0 | 106.2 | I1587 L1591 L2138 | I1587-I1589 HydrophobicContact CG2-CB 4.48Å; I1587-I1589 HydrophobicContact CG2-CD1 3.37Å; I1587-I1589 HydrophobicContact CG2-CG1 3.47Å; I1587-I1589 VanDerWaalsContact CG2-CG1 3.47Å; I1587-I1589 PolarHBondContact O-N 3.43Å; I1589-L1591 HydrophobicContact CB-CD1 3.86Å; I1589-L1591 HydrophobicContact CB-CG 4.33Å; I1589-L1591 HydrophobicContact CD1-CD1 4.28Å; I1589-L1591 HydrophobicContact CG2-CB 4.46Å; I1589-L1591 HydrophobicContact CG2-CD1 3.87Å; I1589-L1591 HydrophobicContact CG2-CG 3.78Å; I1589-L1591 PolarHBondContact O-N 2.9Å; I1589-L2138 HydrophobicContact CB-CD1 4.44Å; I1589-L2138 HydrophobicContact CD1-CB 3.75Å; I1589-L2138 HydrophobicContact CD1-CD1 3.88Å; I1589-L2138 HydrophobicContact CD1-CD2 3.93Å; I1589-L2138 HydrophobicContact CD1-CG 4.05Å; I1589-L2138 HydrophobicContact CG1-CD1 3.84Å; I1589-L2138 HydrophobicContact CG1-CD2 3.98Å; I1589-L2138 HydrophobicContact CG1-CG 4.34Å; I1589-L2138 HydrophobicContact CG2-CD1 3.69Å | ||
| 1590 | K | 28.9 | Very low | 48.3 | Very low | 203 Ų | 203 | 66 Ų | 66 | 88% | 0.883 | 35% | 0.352 | S | S | * | . | trans | -74.4 | 68.8 | 164.7 | -67.7 | -178.9 | 179.6 | 178 | 0 | 108.7 | S1588 K1592 | S1588-K1590 PolarHBondContact O-N 3.31Å; K1590-K1592 PolarHBondContact O-N 2.93Å | ||
| 1591 | L | 40 | Very low | 50.8 | Low | 82 Ų | 82 | 63.6 Ų | 63.6 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | trans | -56.6 | 128.3 | 171.1 | -87.7 | 123 | 0 | 0 | 0 | 106.5 | F1581 I1589 | F1581-L1591 HydrophobicContact CZ-CD1 4.17Å; I1589-L1591 HydrophobicContact CB-CD1 3.86Å; I1589-L1591 HydrophobicContact CB-CG 4.33Å; I1589-L1591 HydrophobicContact CD1-CD1 4.28Å; I1589-L1591 HydrophobicContact CG2-CB 4.46Å; I1589-L1591 HydrophobicContact CG2-CD1 3.87Å; I1589-L1591 HydrophobicContact CG2-CG 3.78Å; I1589-L1591 PolarHBondContact O-N 2.9Å | ||
| 1592 | K | 40.3 | Very low | 53 | Low | 186 Ų | 186 | 59.7 Ų | 59.7 | 81% | 0.809 | 32% | 0.319 | S | S | * | . | trans | -56.5 | 156.4 | 164.1 | -68.6 | 178.7 | 177.4 | 178.7 | 0 | 107.9 | K1590 M1594 | K1590-K1592 PolarHBondContact O-N 2.93Å; K1592-M1594 PolarHBondContact O-N 2.91Å | ||
| 1593 | S | 44.6 | Very low | 54.9 | Low | 68 Ų | 68 | 57.2 Ų | 57.2 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | trans | -67.1 | 68.3 | -169.1 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | S1548 S1595 | S1548-S1593 VanDerWaalsContact CB-CB 3.45Å; S1593-S1595 PolarHBondContact O-N 2.84Å; S1593-S1595 VanDerWaalsContact O-N 3.07Å; S1593-S1595 PolarHBondContact O-OG 2.92Å | ||
| 1594 | M | 57.8 | Low | 56.6 | Low | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | trans | -63.5 | 114.5 | -170.6 | -152.7 | 173.7 | 86.8 | 0 | 0 | 108.7 | L1547 Y1577 K1592 L1596 D1618 | L1547-M1594 WeakPolarHBondContact CB-O 3.27Å; L1547-M1594 HydrophobicContact CD1-CE 4.41Å; L1547-M1594 VanDerWaalsContact CG-O 3.31Å; L1547-M1594 WeakPolarHBondContact CG-O 3.49Å; L1547-M1594 PolarHBondContact N-O 3.26Å; Y1577-M1594 HydrophobicContact CD1-CE 3.69Å; Y1577-M1594 HydrophobicContact CD2-CE 4.06Å; Y1577-M1594 HydrophobicContact CE1-CE 3.83Å; Y1577-M1594 HydrophobicContact CE1-SD 4.14Å; Y1577-M1594 HydrophobicContact CE2-CE 4.19Å; Y1577-M1594 HydrophobicContact CG-CE 3.8Å; K1592-M1594 PolarHBondContact O-N 2.91Å; M1594-L1596 HydrophobicContact CE-CD2 4.4Å; M1594-D1618 WeakPolarHBondContact CA-OD2 3.31Å | ||
| 1595 | S | 72 | Confident | 58.6 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.9 | 179.9 | -63.1 | 0 | 0 | 0 | 0 | 108.4 | R1545 S1593 C1617 | R1545-S1595 WeakPolarHBondContact O-CA 3.41Å; S1593-S1595 PolarHBondContact O-N 2.84Å; S1593-S1595 VanDerWaalsContact O-N 3.07Å; S1593-S1595 PolarHBondContact O-OG 2.92Å; S1595-C1617 WeakPolarHBondContact CB-SG 3.28Å; S1595-C1617 WeakPolarHBondContact O-CB 3.41Å; S1595-C1617 PolarHBondContact O-N 3.12Å; S1595-C1617 PolarHBondContact O-SG 3.35Å |
| 1596 | L | 80.9 | Confident | 60.3 | Low | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.5 | 179.3 | -58.8 | -178.8 | 0 | 0 | 0 | 109.9 | Y1544 R1545 L1547 L1574 M1594 Q1614 W1615 | Y1544-L1596 CarbonylContact C-O 3.59Å; Y1544-L1596 VanDerWaalsContact CA-O 3.31Å; Y1544-L1596 WeakPolarHBondContact CA-O 3.35Å; R1545-L1596 PolarHBondContact N-O 3.23Å; R1545-L1596 PolarHBondContact O-N 3.2Å; L1547-L1596 HydrophobicContact CD1-CD1 4.33Å; L1547-L1596 HydrophobicContact CD1-CG 4.31Å; L1574-L1596 HydrophobicContact CD2-CD2 3.82Å; M1594-L1596 HydrophobicContact CE-CD2 4.4Å; L1596-Q1614 HydrophobicContact CB-CG 3.82Å; L1596-Q1614 VanDerWaalsContact CB-NE2 3.26Å; L1596-Q1614 PolarHBondContact O-NE2 2.75Å; L1596-W1615 CarbonylContact C-O 3.59Å; L1596-W1615 VanDerWaalsContact CA-O 3.29Å; L1596-W1615 WeakPolarHBondContact CA-O 3.29Å |
| 1597 | C | 86.1 | Confident | 61.9 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.9 | -169.6 | -81 | 0 | 0 | 0 | 0 | 110.8 | W1491 W1540 W1615 C1617 | W1491-C1597 HydrophobicContact CB-CB 3.99Å; W1491-C1597 HydrophobicContact CD2-CB 4.22Å; W1491-C1597 HydrophobicContact CG-CB 3.7Å; W1540-C1597 HydrophobicContact CZ3-CB 3.98Å; C1597-W1615 PolarHBondContact N-O 3.46Å; C1597-W1615 PolarHBondContact O-N 3.15Å; C1597-C1617 VanDerWaalsContact CA-SG 3.6Å; C1597-C1617 HydrophobicContact CB-CB 4.09Å; C1597-C1617 WeakPolarHBondContact CB-SG 3.33Å; C1597-C1617 PolarHBondContact N-SG 3.4Å; C1597-C1617 WeakPolarHBondContact SG-CB 3.12Å; C1597-C1617 CovalentContact SG-SG 2.02Å; C1597-C1617 PolarHBondContact SG-SG 3.44Å |
| 1598 | T | 89.3 | Confident | 63.7 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.8 | -176.1 | -55 | 0 | 0 | 0 | 0 | 112.3 | I1541 L1543 W1612 | I1541-T1598 HydrophobicContact CD1-CG2 3.91Å; I1541-T1598 HydrophobicContact CG1-CG2 4.06Å; I1541-T1598 WeakPolarHBondContact CG1-O 3.22Å; I1541-T1598 PolarHBondContact N-O 3.48Å; I1541-T1598 VanDerWaalsContact N-O 3.13Å; L1543-T1598 HydrophobicContact CD2-CG2 4.41Å; L1543-T1598 WeakPolarHBondContact O-CB 3.06Å; L1543-T1598 PolarHBondContact O-N 2.73Å; L1543-T1598 PolarHBondContact O-OG1 3.27Å; T1598-W1612 HydrophobicContact CG2-CB 3.89Å; T1598-W1612 HydrophobicContact CG2-CD2 4.49Å; T1598-W1612 HydrophobicContact CG2-CG 4.22Å |
| 1599 | S | 86.5 | Confident | 66 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 161.4 | 171.1 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | V1539 W1612 L1613 W1615 | V1539-S1599 CarbonylContact O-C 3.48Å; V1539-S1599 WeakPolarHBondContact O-CA 3.15Å; V1539-S1599 WeakPolarHBondContact O-CB 3.49Å; S1599-W1612 WeakPolarHBondContact O-CA 3.46Å; S1599-L1613 PolarHBondContact N-O 2.93Å; S1599-L1613 PolarHBondContact O-N 3.31Å; S1599-L1613 PolarHBondContact OG-O 2.91Å; S1599-W1615 PolarHBondContact OG-NE1 3.14Å |
| 1600 | M | 86.6 | Confident | 68.3 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.8 | 177.9 | -178.8 | 176.4 | 54.4 | 0 | 0 | 110 | Q1521 L1524 L1528 A1538 V1539 I1541 I1611 | Q1521-M1600 PolarHBondContact NE2-SD 3.37Å; L1524-M1600 HydrophobicContact CB-CE 3.7Å; L1524-M1600 HydrophobicContact CB-SD 4.34Å; L1528-M1600 HydrophobicContact CD1-CE 4.06Å; L1528-M1600 HydrophobicContact CD2-CE 4.02Å; L1528-M1600 HydrophobicContact CG-CE 4.28Å; A1538-M1600 CarbonylContact C-O 3.46Å; A1538-M1600 VanDerWaalsContact CA-O 3.31Å; A1538-M1600 WeakPolarHBondContact CA-O 3.27Å; V1539-M1600 HydrophobicContact CG2-CB 4.15Å; V1539-M1600 HydrophobicContact CG2-CE 4.02Å; V1539-M1600 PolarHBondContact N-O 3.25Å; V1539-M1600 PolarHBondContact O-N 3.3Å; I1541-M1600 HydrophobicContact CG2-CB 3.94Å; I1541-M1600 HydrophobicContact CG2-CE 4.29Å; M1600-I1611 WeakPolarHBondContact CA-O 3.49Å |
| 1601 | F | 82.2 | Confident | 70.8 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.2 | -175.9 | -175.3 | -126.7 | 0 | 0 | 0 | 112.5 | S1537 L1608 G1610 I1611 L1613 L1915 | S1537-F1601 WeakPolarHBondContact O-CD2 3.48Å; F1601-L1608 HydrophobicContact CD1-CB 4.22Å; F1601-L1608 WeakPolarHBondContact CD1-O 3.45Å; F1601-L1608 HydrophobicContact CE1-CB 4.04Å; F1601-G1610 PolarHBondContact O-N 3.07Å; F1601-I1611 HydrophobicContact CB-CD1 4.33Å; F1601-I1611 HydrophobicContact CB-CG1 3.57Å; F1601-I1611 HydrophobicContact CD1-CD1 3.89Å; F1601-I1611 HydrophobicContact CD1-CG1 3.87Å; F1601-I1611 HydrophobicContact CG-CD1 4.4Å; F1601-I1611 HydrophobicContact CG-CG1 4.12Å; F1601-I1611 PolarHBondContact N-O 3.22Å; F1601-L1613 HydrophobicContact CB-CD1 4.11Å; F1601-L1613 HydrophobicContact CB-CG 4.35Å; F1601-L1613 HydrophobicContact CD2-CD1 4.27Å; F1601-L1613 HydrophobicContact CG-CD1 4.42Å; F1601-L1915 HydrophobicContact CE2-CD2 3.61Å; F1601-L1915 HydrophobicContact CE2-CG 3.87Å; F1601-L1915 HydrophobicContact CZ-CD2 4.28Å; F1601-L1915 HydrophobicContact CZ-CG 4.17Å |
| 1602 | R | 78.3 | Confident | 73 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 11% | 0.106 | 15% | 0.151 | C | C | . | . | trans | -91.9 | 127.6 | 167.2 | 171.1 | -174.2 | 160.8 | 123.7 | -2.8 | 108.6 | L1528 D1529 L1531 S1537 F1718 | L1528-R1602 HydrophobicContact CB-CB 4.29Å; L1528-R1602 HydrophobicContact CB-CG 4.3Å; L1528-R1602 HydrophobicContact CD1-CB 4.13Å; L1528-R1602 PolarHBondContact O-NH1 3.01Å; D1529-R1602 PolarHBondContact O-NH1 3.32Å; L1531-R1602 HydrophobicContact CD1-CB 4.31Å; L1531-R1602 PolarHBondContact O-NH1 2.81Å; L1531-R1602 VanDerWaalsContact O-NH1 3.08Å; S1537-R1602 PolarHBondContact O-N 3.2Å; R1602-F1718 HydrophobicContact CG-CE1 4.05Å; R1602-F1718 HydrophobicContact CG-CZ 3.89Å | ||
| 1603 | S | 71.6 | Confident | 74.9 | Confident | 12 Ų | 12 | 21.3 Ų | 21.3 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | trans | -137.1 | 155.2 | 164 | -168 | 0 | 0 | 0 | 0 | 110.7 | D1605 N1609 V1717 F1718 | S1603-D1605 VanDerWaalsContact C-N 3.28Å; S1603-D1605 WeakPolarHBondContact OG-CB 3.48Å; S1603-D1605 PolarHBondContact OG-N 2.84Å; S1603-D1605 VanDerWaalsContact OG-N 3.07Å; S1603-N1609 PolarHBondContact N-OD1 3.27Å; S1603-N1609 VanDerWaalsContact N-OD1 3.07Å; S1603-N1609 WeakPolarHBondContact O-CB 3.18Å; S1603-N1609 PolarHBondContact O-OD1 3.19Å; S1603-V1717 WeakPolarHBondContact O-CG1 3.3Å; S1603-F1718 WeakPolarHBondContact O-CZ 3.47Å | ||
| 1604 | T | 66.4 | Low | 76.6 | Confident | 73 Ų | 73 | 18.1 Ų | 18.1 | 45% | 0.448 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -77.9 | -18.6 | 163.1 | 43.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1605 | D | 66.2 | Low | 77.4 | Confident | 30 Ų | 30 | 19.2 Ų | 19.2 | 16% | 0.16 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -73.6 | 122.9 | 173.5 | -172.5 | -30.6 | 0 | 0 | 0 | 110.8 | S1603 R1607 L1608 N1609 | S1603-D1605 VanDerWaalsContact C-N 3.28Å; S1603-D1605 WeakPolarHBondContact OG-CB 3.48Å; S1603-D1605 PolarHBondContact OG-N 2.84Å; S1603-D1605 VanDerWaalsContact OG-N 3.07Å; D1605-R1607 PolarHBondContact O-N 3.01Å; D1605-R1607 VanDerWaalsContact O-N 3.12Å; D1605-R1607 VanDerWaalsContact OD1-CB 3.22Å; D1605-R1607 WeakPolarHBondContact OD1-CB 3.37Å; D1605-R1607 VanDerWaalsContact OD1-CG 3.28Å; D1605-R1607 WeakPolarHBondContact OD1-CG 3.36Å; D1605-R1607 IonicContact OD1-CZ 3.65Å; D1605-R1607 PolarHBondContact OD1-N 3.15Å; D1605-R1607 IonicContact OD1-NE 3.17Å; D1605-R1607 PolarHBondContact OD1-NE 2.92Å; D1605-R1607 IonicContact OD1-NH2 2.73Å; D1605-R1607 IonicContact OD2-CZ 3.28Å; D1605-R1607 IonicContact OD2-NE 4Å; D1605-R1607 PolarHBondContact OD2-NE 3.4Å; D1605-R1607 IonicContact OD2-NH2 2.76Å; D1605-R1607 PolarHBondContact OD2-NH2 3.47Å; D1605-L1608 HydrophobicContact CB-CB 4.31Å; D1605-L1608 HydrophobicContact CB-CD1 4.39Å; D1605-L1608 HydrophobicContact CB-CG 4.46Å; D1605-L1608 PolarHBondContact O-N 2.92Å; D1605-N1609 PolarHBondContact O-N 3.27Å |
| 1606 | P | 66.8 | Low | 77.4 | Confident | 22 Ų | 22 | 19 Ų | 19 | 14% | 0.143 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.9 | 178.5 | 24 | -33.4 | 0 | 0 | 0 | 114.7 | V1717 Y1773 D1775 | P1606-V1717 HydrophobicContact CB-CG2 4.24Å; P1606-Y1773 HydrophobicContact CB-CE2 4.1Å; P1606-Y1773 HydrophobicContact CG-CE2 4.38Å; P1606-D1775 HydrophobicContact CB-CB 3.92Å; P1606-D1775 HydrophobicContact CG-CB 4.26Å |
| 1607 | R | 65.7 | Low | 77.1 | Confident | 81 Ų | 81 | 19.6 Ų | 19.6 | 31% | 0.306 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -25 | -176.2 | -50.6 | 169.3 | -67.3 | 175.2 | 3.4 | 112.4 | D1605 Y1777 | D1605-R1607 PolarHBondContact O-N 3.01Å; D1605-R1607 VanDerWaalsContact O-N 3.12Å; D1605-R1607 VanDerWaalsContact OD1-CB 3.22Å; D1605-R1607 WeakPolarHBondContact OD1-CB 3.37Å; D1605-R1607 VanDerWaalsContact OD1-CG 3.28Å; D1605-R1607 WeakPolarHBondContact OD1-CG 3.36Å; D1605-R1607 IonicContact OD1-CZ 3.65Å; D1605-R1607 PolarHBondContact OD1-N 3.15Å; D1605-R1607 IonicContact OD1-NE 3.17Å; D1605-R1607 PolarHBondContact OD1-NE 2.92Å; D1605-R1607 IonicContact OD1-NH2 2.73Å; D1605-R1607 IonicContact OD2-CZ 3.28Å; D1605-R1607 IonicContact OD2-NE 4Å; D1605-R1607 PolarHBondContact OD2-NE 3.4Å; D1605-R1607 IonicContact OD2-NH2 2.76Å; D1605-R1607 PolarHBondContact OD2-NH2 3.47Å; R1607-Y1777 HydrophobicContact CB-CE1 4.15Å; R1607-Y1777 HydrophobicContact CG-CD1 4.26Å; R1607-Y1777 HydrophobicContact CG-CE1 3.58Å |
| 1608 | L | 67.2 | Low | 76 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -22.1 | -177.3 | -63.6 | 176.1 | 0 | 0 | 0 | 113.3 | F1601 D1605 G1610 I1611 | F1601-L1608 HydrophobicContact CD1-CB 4.22Å; F1601-L1608 WeakPolarHBondContact CD1-O 3.45Å; F1601-L1608 HydrophobicContact CE1-CB 4.04Å; D1605-L1608 HydrophobicContact CB-CB 4.31Å; D1605-L1608 HydrophobicContact CB-CD1 4.39Å; D1605-L1608 HydrophobicContact CB-CG 4.46Å; D1605-L1608 PolarHBondContact O-N 2.92Å; L1608-G1610 PolarHBondContact O-N 2.76Å; L1608-I1611 HydrophobicContact CD2-CD1 4.33Å; L1608-I1611 WeakPolarHBondContact O-CG1 3.44Å; L1608-I1611 PolarHBondContact O-N 2.93Å |
| 1609 | N | 77 | Confident | 74.7 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 10% | 0.096 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 122.9 | -179.3 | -166.2 | 48.2 | 0 | 0 | 0 | 111.4 | A1525 S1603 D1605 V1717 F1718 | A1525-N1609 PolarHBondContact O-ND2 3.03Å; S1603-N1609 PolarHBondContact N-OD1 3.27Å; S1603-N1609 VanDerWaalsContact N-OD1 3.07Å; S1603-N1609 WeakPolarHBondContact O-CB 3.18Å; S1603-N1609 PolarHBondContact O-OD1 3.19Å; D1605-N1609 PolarHBondContact O-N 3.27Å; N1609-V1717 HydrophobicContact CB-CG1 4.37Å; N1609-V1717 HydrophobicContact CB-CG2 3.78Å; N1609-F1718 WeakPolarHBondContact OD1-CE1 3.31Å |
| 1610 | G | 80.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 22.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1566 F1601 L1608 | K1566-G1610 PolarHBondContact NZ-O 2.76Å; F1601-G1610 PolarHBondContact O-N 3.07Å; L1608-G1610 PolarHBondContact O-N 2.76Å |
| 1611 | I | 79.9 | Confident | 72.8 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -72.6 | 155.5 | 161.1 | 65.2 | 176.8 | 0 | 0 | 0 | 110.9 | I1569 M1600 F1601 L1608 L1613 I1911 | I1569-I1611 HydrophobicContact CD1-CD1 4.21Å; M1600-I1611 WeakPolarHBondContact CA-O 3.49Å; F1601-I1611 HydrophobicContact CB-CD1 4.33Å; F1601-I1611 HydrophobicContact CB-CG1 3.57Å; F1601-I1611 HydrophobicContact CD1-CD1 3.89Å; F1601-I1611 HydrophobicContact CD1-CG1 3.87Å; F1601-I1611 HydrophobicContact CG-CD1 4.4Å; F1601-I1611 HydrophobicContact CG-CG1 4.12Å; F1601-I1611 PolarHBondContact N-O 3.22Å; L1608-I1611 HydrophobicContact CD2-CD1 4.33Å; L1608-I1611 WeakPolarHBondContact O-CG1 3.44Å; L1608-I1611 PolarHBondContact O-N 2.93Å; I1611-L1613 HydrophobicContact CD1-CD2 4.16Å; I1611-L1613 HydrophobicContact CG1-CD2 4.33Å; I1611-I1911 HydrophobicContact CD1-CD1 4.48Å | ||
| 1612 | W | 86.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.1 | -177.6 | -66.8 | 2.7 | 0 | 0 | 0 | 110.7 | I1515 I1541 L1543 W1556 F1564 I1565 K1566 I1568 I1569 T1598 S1599 | I1515-W1612 HydrophobicContact CB-CZ2 4.39Å; I1515-W1612 HydrophobicContact CD1-CZ2 3.73Å; I1515-W1612 HydrophobicContact CG2-CZ2 4.35Å; I1541-W1612 HydrophobicContact CD1-CD2 4.45Å; L1543-W1612 HydrophobicContact CD2-CE3 3.79Å; L1543-W1612 HydrophobicContact CD2-CH2 4.43Å; L1543-W1612 HydrophobicContact CD2-CZ3 3.56Å; W1556-W1612 HydrophobicContact CH2-CH2 4.32Å; W1556-W1612 HydrophobicContact CZ2-CH2 4.37Å; F1564-W1612 HydrophobicContact CD1-CH2 4.27Å; F1564-W1612 HydrophobicContact CD1-CZ2 4.35Å; F1564-W1612 HydrophobicContact CE1-CH2 4.44Å; F1564-W1612 HydrophobicContact CE1-CZ2 4.16Å; I1565-W1612 HydrophobicContact CB-CZ3 4.45Å; I1565-W1612 HydrophobicContact CG2-CZ3 4.28Å; K1566-W1612 HydrophobicContact CB-CD2 3.89Å; K1566-W1612 HydrophobicContact CB-CE3 4.02Å; K1566-W1612 HydrophobicContact CB-CG 4.34Å; K1566-W1612 HydrophobicContact CB-CH2 4.44Å; K1566-W1612 HydrophobicContact CB-CZ2 4.3Å; K1566-W1612 HydrophobicContact CB-CZ3 4.3Å; K1566-W1612 HydrophobicContact CD-CZ2 4.37Å; K1566-W1612 HydrophobicContact CG-CD2 4.31Å; K1566-W1612 HydrophobicContact CG-CH2 4.37Å; K1566-W1612 HydrophobicContact CG-CZ2 3.94Å; I1568-W1612 HydrophobicContact CD1-CE3 4.27Å; I1568-W1612 HydrophobicContact CG1-CB 4.27Å; I1568-W1612 HydrophobicContact CG1-CE3 4.04Å; I1569-W1612 PolarHBondContact N-O 2.81Å; T1598-W1612 HydrophobicContact CG2-CB 3.89Å; T1598-W1612 HydrophobicContact CG2-CD2 4.49Å; T1598-W1612 HydrophobicContact CG2-CG 4.22Å; S1599-W1612 WeakPolarHBondContact O-CA 3.46Å |
| 1613 | L | 81 | Confident | 72.4 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.4 | 178.1 | -49.3 | 177.5 | 0 | 0 | 0 | 109.4 | I1569 S1599 F1601 I1611 | I1569-L1613 HydrophobicContact CB-CD2 4.03Å; I1569-L1613 CarbonylContact O-C 3.6Å; I1569-L1613 WeakPolarHBondContact O-CA 3.29Å; S1599-L1613 PolarHBondContact N-O 2.93Å; S1599-L1613 PolarHBondContact O-N 3.31Å; S1599-L1613 PolarHBondContact OG-O 2.91Å; F1601-L1613 HydrophobicContact CB-CD1 4.11Å; F1601-L1613 HydrophobicContact CB-CG 4.35Å; F1601-L1613 HydrophobicContact CD2-CD1 4.27Å; F1601-L1613 HydrophobicContact CG-CD1 4.42Å; I1611-L1613 HydrophobicContact CD1-CD2 4.16Å; I1611-L1613 HydrophobicContact CG1-CD2 4.33Å |
| 1614 | Q | 80.1 | Confident | 73 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127 | -176.2 | 176.4 | 164.7 | 55.2 | 0 | 0 | 112.1 | Y1554 I1568 I1569 R1570 L1574 L1596 | Y1554-Q1614 PolarHBondContact OH-OE1 3.2Å; Y1554-Q1614 VanDerWaalsContact OH-OE1 3.09Å; I1568-Q1614 HydrophobicContact CG2-CB 3.4Å; I1568-Q1614 VanDerWaalsContact CG2-CB 3.4Å; I1568-Q1614 HydrophobicContact CG2-CG 4.47Å; I1569-Q1614 PolarHBondContact O-N 3.01Å; R1570-Q1614 HydrophobicContact CG-CB 4.39Å; L1574-Q1614 WeakPolarHBondContact CD1-O 3.13Å; L1596-Q1614 HydrophobicContact CB-CG 3.82Å; L1596-Q1614 VanDerWaalsContact CB-NE2 3.26Å; L1596-Q1614 PolarHBondContact O-NE2 2.75Å |
| 1615 | W | 74.1 | Confident | 74.1 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 19% | 0.186 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 171.8 | -176.8 | -53.1 | 90.8 | 0 | 0 | 0 | 111 | W1540 L1596 C1597 S1599 I1621 F1908 | W1540-W1615 HydrophobicContact CH2-CB 3.97Å; W1540-W1615 AromaticContact CH2-CD1 3.73Å; W1540-W1615 HydrophobicContact CH2-CG 4.02Å; W1540-W1615 HydrophobicContact CZ3-CB 4.35Å; W1540-W1615 AromaticContact CZ3-CD1 3.66Å; W1540-W1615 HydrophobicContact CZ3-CG 4.31Å; L1596-W1615 CarbonylContact C-O 3.59Å; L1596-W1615 VanDerWaalsContact CA-O 3.29Å; L1596-W1615 WeakPolarHBondContact CA-O 3.29Å; C1597-W1615 PolarHBondContact N-O 3.46Å; C1597-W1615 PolarHBondContact O-N 3.15Å; S1599-W1615 PolarHBondContact OG-NE1 3.14Å; W1615-I1621 HydrophobicContact CB-CD1 3.9Å; W1615-I1621 HydrophobicContact CD2-CD1 3.96Å; W1615-I1621 HydrophobicContact CE3-CD1 3.67Å; W1615-I1621 HydrophobicContact CG-CD1 4.11Å; W1615-I1621 HydrophobicContact CZ3-CD1 4.48Å; W1615-F1908 HydrophobicContact CH2-CE2 4.24Å; W1615-F1908 HydrophobicContact CH2-CZ 4.13Å; W1615-F1908 HydrophobicContact CZ3-CZ 4.33Å |
| 1616 | S | 72.6 | Confident | 75.4 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137.3 | 163.7 | -179.2 | 0 | 0 | 0 | 0 | 110 | D1618 | S1616-D1618 VanDerWaalsContact C-N 3.27Å; S1616-D1618 PolarHBondContact OG-N 2.95Å; S1616-D1618 VanDerWaalsContact OG-N 3.15Å |
| 1617 | C | 74 | Confident | 76.6 | Confident | 29 Ų | 29 | 33.2 Ų | 33.2 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.7 | -21.5 | 170 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | S1595 C1597 | S1595-C1617 WeakPolarHBondContact CB-SG 3.28Å; S1595-C1617 WeakPolarHBondContact O-CB 3.41Å; S1595-C1617 PolarHBondContact O-N 3.12Å; S1595-C1617 PolarHBondContact O-SG 3.35Å; C1597-C1617 VanDerWaalsContact CA-SG 3.6Å; C1597-C1617 HydrophobicContact CB-CB 4.09Å; C1597-C1617 WeakPolarHBondContact CB-SG 3.33Å; C1597-C1617 PolarHBondContact N-SG 3.4Å; C1597-C1617 WeakPolarHBondContact SG-CB 3.12Å; C1597-C1617 CovalentContact SG-SG 2.02Å; C1597-C1617 PolarHBondContact SG-SG 3.44Å |
| 1618 | D | 63.2 | Low | 77.9 | Confident | 101 Ų | 101 | 29.4 Ų | 29.4 | 54% | 0.54 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -85.8 | -15.6 | -176.2 | -63.3 | -61.9 | 0 | 0 | 0 | 113 | M1594 S1616 | M1594-D1618 WeakPolarHBondContact CA-OD2 3.31Å; S1616-D1618 VanDerWaalsContact C-N 3.27Å; S1616-D1618 PolarHBondContact OG-N 2.95Å; S1616-D1618 VanDerWaalsContact OG-N 3.15Å |
| 1619 | E | 61.9 | Low | 78.9 | Confident | 92 Ų | 92 | 28.9 Ų | 28.9 | 43% | 0.43 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -80.5 | 140.1 | 176.7 | -73.7 | -64.5 | 153.3 | 0 | 0 | 111 | I1621 | E1619-I1621 HydrophobicContact CB-CD1 3.86Å; E1619-I1621 HydrophobicContact CB-CG1 3.9Å; E1619-I1621 PolarHBondContact O-N 3.45Å |
| 1620 | P | 63.4 | Low | 79.4 | Confident | 79 Ų | 79 | 29.1 Ų | 29.1 | 51% | 0.513 | 15% | 0.149 | S | C | . | . | trans | -79.2 | 59.4 | -174.5 | 34.3 | -36.3 | 0 | 0 | 0 | 112.2 | Y1622 | P1620-Y1622 HydrophobicContact CB-CE2 4.03Å; P1620-Y1622 WeakPolarHBondContact O-CD2 3.31Å; P1620-Y1622 VanDerWaalsContact O-CE2 3.29Å; P1620-Y1622 WeakPolarHBondContact O-CE2 3.16Å; P1620-Y1622 PolarHBondContact O-N 3.01Å | ||
| 1621 | I | 69.1 | Low | 79.4 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.205 | 16% | 0.161 | C | C | . | . | trans | -89.2 | 101.3 | -176.2 | -58.6 | 170.4 | 0 | 0 | 0 | 109.1 | W1540 W1615 E1619 L1623 | W1540-I1621 HydrophobicContact CH2-CB 4.46Å; W1540-I1621 HydrophobicContact CH2-CG2 4.39Å; W1540-I1621 HydrophobicContact CZ2-CB 3.99Å; W1540-I1621 HydrophobicContact CZ2-CG2 3.97Å; W1540-I1621 WeakPolarHBondContact CZ2-O 3.04Å; W1540-I1621 PolarHBondContact NE1-O 3.24Å; W1615-I1621 HydrophobicContact CB-CD1 3.9Å; W1615-I1621 HydrophobicContact CD2-CD1 3.96Å; W1615-I1621 HydrophobicContact CE3-CD1 3.67Å; W1615-I1621 HydrophobicContact CG-CD1 4.11Å; W1615-I1621 HydrophobicContact CZ3-CD1 4.48Å; E1619-I1621 HydrophobicContact CB-CD1 3.86Å; E1619-I1621 HydrophobicContact CB-CG1 3.9Å; E1619-I1621 PolarHBondContact O-N 3.45Å; I1621-L1623 HydrophobicContact CG2-CD1 4.45Å; I1621-L1623 HydrophobicContact CG2-CD2 4.33Å; I1621-L1623 HydrophobicContact CG2-CG 4.04Å; I1621-L1623 PolarHBondContact O-N 3.05Å | ||
| 1622 | Y | 73.7 | Confident | 79 | Confident | 122 Ų | 122 | 34.5 Ų | 34.5 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | trans | -83.9 | 99.9 | -178.7 | -63.4 | -82.5 | 0 | 0 | 0 | 111.7 | F1489 T1490 E1493 P1620 | F1489-Y1622 WeakPolarHBondContact O-CA 2.93Å; T1490-Y1622 HydrophobicContact CG2-CD1 4.23Å; T1490-Y1622 HydrophobicContact CG2-CE1 3.83Å; E1493-Y1622 WeakPolarHBondContact OE2-CE1 3.45Å; P1620-Y1622 HydrophobicContact CB-CE2 4.03Å; P1620-Y1622 WeakPolarHBondContact O-CD2 3.31Å; P1620-Y1622 VanDerWaalsContact O-CE2 3.29Å; P1620-Y1622 WeakPolarHBondContact O-CE2 3.16Å; P1620-Y1622 PolarHBondContact O-N 3.01Å | ||
| 1623 | L | 79.7 | Confident | 77.8 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 155.5 | 173.5 | -57.9 | 179.7 | 0 | 0 | 0 | 111.5 | K1488 F1489 A1538 W1540 I1621 | K1488-L1623 WeakPolarHBondContact CA-O 3.06Å; F1489-L1623 PolarHBondContact N-O 3.36Å; F1489-L1623 PolarHBondContact O-N 3.27Å; A1538-L1623 HydrophobicContact CB-CD1 4.17Å; W1540-L1623 HydrophobicContact CD2-CB 4.47Å; W1540-L1623 HydrophobicContact CD2-CD1 4.08Å; W1540-L1623 HydrophobicContact CE3-CD1 4.36Å; W1540-L1623 HydrophobicContact CG-CB 4.32Å; W1540-L1623 HydrophobicContact CH2-CD1 4.3Å; W1540-L1623 HydrophobicContact CZ2-CD1 4.01Å; W1540-L1623 HydrophobicContact CZ2-CG 4.24Å; W1540-L1623 HydrophobicContact CZ3-CD1 4.47Å; I1621-L1623 HydrophobicContact CG2-CD1 4.45Å; I1621-L1623 HydrophobicContact CG2-CD2 4.33Å; I1621-L1623 HydrophobicContact CG2-CG 4.04Å; I1621-L1623 PolarHBondContact O-N 3.05Å |
| 1624 | S | 84.3 | Confident | 76.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 162.7 | 160.2 | -53.8 | 0 | 0 | 0 | 0 | 110 | I1485 T1486 V1539 W1540 | I1485-S1624 WeakPolarHBondContact O-CA 3.42Å; I1485-S1624 VanDerWaalsContact O-CB 3.3Å; I1485-S1624 WeakPolarHBondContact O-CB 3.25Å; T1486-S1624 PolarHBondContact O-OG 3.36Å; V1539-S1624 CarbonylContact C-O 3.47Å; V1539-S1624 WeakPolarHBondContact CA-O 3.42Å; W1540-S1624 PolarHBondContact N-O 3.01Å |
| 1625 | S | 89.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157.6 | -170.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | I1485 | I1485-S1625 PolarHBondContact N-O 2.92Å; I1485-S1625 PolarHBondContact O-N 3.06Å |
| 1626 | V | 91.8 | Very high | 72.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.9 | 173.1 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | Q1483 L1484 A1513 L1524 L1527 V1539 W1540 | Q1483-V1626 WeakPolarHBondContact O-CA 3.31Å; L1484-V1626 HydrophobicContact CD1-CG2 3.99Å; A1513-V1626 HydrophobicContact CB-CB 4.2Å; A1513-V1626 HydrophobicContact CB-CG1 3.98Å; A1513-V1626 WeakPolarHBondContact CB-O 3.48Å; A1513-V1626 PolarHBondContact N-O 3.33Å; L1524-V1626 HydrophobicContact CD2-CG1 4.16Å; L1527-V1626 HydrophobicContact CD1-CG1 4.2Å; V1539-V1626 HydrophobicContact CB-CG2 4.27Å; V1539-V1626 HydrophobicContact CG2-CG2 3.74Å; W1540-V1626 PolarHBondContact O-N 2.92Å |
| 1627 | C | 92.9 | Very high | 70.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 143.7 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | F1474 F1482 Q1483 I1485 C1498 S1511 | F1474-C1627 HydrophobicContact CE1-CB 4.03Å; F1474-C1627 HydrophobicContact CZ-CB 4.24Å; F1482-C1627 CarbonylContact C-O 3.57Å; F1482-C1627 VanDerWaalsContact CA-O 3.25Å; F1482-C1627 WeakPolarHBondContact CA-O 3.37Å; Q1483-C1627 PolarHBondContact N-O 2.66Å; Q1483-C1627 PolarHBondContact O-N 2.94Å; I1485-C1627 VanDerWaalsContact CG1-SG 3.56Å; C1498-C1627 WeakPolarHBondContact CA-SG 3.48Å; C1498-C1627 HydrophobicContact CB-CB 3.67Å; C1498-C1627 WeakPolarHBondContact CB-SG 3.21Å; C1498-C1627 WeakPolarHBondContact SG-CA 3.34Å; C1498-C1627 WeakPolarHBondContact SG-CB 3.27Å; C1498-C1627 CovalentContact SG-SG 2.03Å; C1498-C1627 PolarHBondContact SG-SG 3.38Å; S1511-C1627 CarbonylContact O-C 3.56Å; S1511-C1627 WeakPolarHBondContact O-CA 3.39Å |
| 1628 | Q | 92.9 | Very high | 68.9 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 155.3 | 159.7 | 67.8 | 177.3 | 14.2 | 0 | 0 | 110.9 | C1481 F1482 G1510 S1511 A1513 D1558 | C1481-Q1628 CarbonylContact O-C 3.58Å; C1481-Q1628 WeakPolarHBondContact O-CA 3.21Å; F1482-Q1628 HydrophobicContact CD1-CB 3.62Å; F1482-Q1628 HydrophobicContact CE1-CB 3.71Å; G1510-Q1628 WeakPolarHBondContact CA-O 3.49Å; S1511-Q1628 PolarHBondContact N-O 2.87Å; S1511-Q1628 VanDerWaalsContact N-O 3.08Å; S1511-Q1628 PolarHBondContact O-N 3.21Å; S1511-Q1628 VanDerWaalsContact OG-CG 3.26Å; S1511-Q1628 WeakPolarHBondContact OG-CG 3.31Å; S1511-Q1628 PolarHBondContact OG-NE2 2.79Å; A1513-Q1628 HydrophobicContact CB-CB 4.4Å; D1558-Q1628 PolarHBondContact OD2-NE2 2.94Å |
| 1629 | A | 89.1 | Confident | 67.4 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 110 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P1471 F1474 C1481 V1502 F1508 N1509 | P1471-A1629 HydrophobicContact CG-CB 4.23Å; F1474-A1629 HydrophobicContact CD1-CB 3.92Å; F1474-A1629 HydrophobicContact CE1-CB 3.84Å; C1481-A1629 HydrophobicContact CB-CB 4.25Å; C1481-A1629 PolarHBondContact N-O 2.91Å; C1481-A1629 PolarHBondContact O-N 2.88Å; V1502-A1629 HydrophobicContact CG1-CB 3.91Å; V1502-A1629 HydrophobicContact CG2-CB 3.7Å; F1508-A1629 HydrophobicContact CB-CB 4.26Å; F1508-A1629 HydrophobicContact CD1-CB 4.06Å; F1508-A1629 HydrophobicContact CG-CB 4.37Å; N1509-A1629 WeakPolarHBondContact O-CA 3.32Å |
| 1630 | S | 86.5 | Confident | 65.9 | Low | 22 Ų | 22 | 77 Ų | 77 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.4 | -174 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | F1508 N1509 | F1508-S1630 CarbonylContact C-O 3.53Å; F1508-S1630 WeakPolarHBondContact CA-O 3.34Å; N1509-S1630 PolarHBondContact N-O 2.69Å; N1509-S1630 PolarHBondContact O-N 3.16Å |
| 1631 | P | 80.2 | Confident | 64.4 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 25% | 0.253 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 135.8 | 178.9 | -22.5 | 32.7 | 0 | 0 | 0 | 112.9 | P1468 D1479 F1508 | P1468-P1631 HydrophobicContact CB-CG 3.73Å; P1468-P1631 HydrophobicContact CG-CG 3.77Å; D1479-P1631 VanDerWaalsContact O-CD 3.28Å; D1479-P1631 WeakPolarHBondContact O-CD 3.29Å; F1508-P1631 HydrophobicContact CD1-CG 4.25Å; F1508-P1631 HydrophobicContact CE1-CG 3.94Å |
| 1632 | I | 72.3 | Confident | 62.6 | Low | 97 Ų | 97 | 87.5 Ų | 87.5 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -77.9 | -28.6 | -178.1 | -63 | 171.7 | 0 | 0 | 0 | 111.9 | N1507 N1509 | N1507-I1632 PolarHBondContact O-N 3.11Å; N1509-I1632 HydrophobicContact CB-CD1 4.46Å; N1509-I1632 HydrophobicContact CB-CG1 4.14Å |
| 1633 | N | 60.9 | Low | 60.6 | Low | 119 Ų | 119 | 88.4 Ų | 88.4 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | trans | -136.4 | 118.1 | 178.3 | -80.2 | -81.2 | 0 | 0 | 0 | 110.2 | ||||
| 1634 | Q | 50.5 | Low | 58.3 | Low | 143 Ų | 143 | 92.3 Ų | 92.3 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -76.6 | -25.4 | 177.1 | -69.2 | 175.6 | -36.3 | 0 | 0 | 112.8 | R1636 | Q1634-R1636 PolarHBondContact O-N 3.01Š|
| 1635 | N | 39.7 | Very low | 55.8 | Low | 152 Ų | 152 | 97.5 Ų | 97.5 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -102 | 43.3 | -164.5 | -62.8 | 12.7 | 0 | 0 | 0 | 114.3 | ||
| 1636 | R | 35.9 | Very low | 53.1 | Low | 194 Ų | 194 | 107.2 Ų | 107.2 | 73% | 0.732 | 54% | 0.541 | S | S | * | . | trans | -133.5 | 124.9 | 170.8 | -80.3 | -169.7 | 173.4 | -176.1 | -1 | 112.4 | Q1634 V1638 | Q1634-R1636 PolarHBondContact O-N 3.01Å; R1636-V1638 PolarHBondContact O-N 3.26Å | ||
| 1637 | H | 33.4 | Very low | 50.3 | Low | 163 Ų | 163 | 117.4 Ų | 117.4 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | trans | -59.9 | 99.9 | 161.1 | -62.7 | -69.9 | 0 | 0 | 0 | 109.5 | N1639 | H1637-N1639 PolarHBondContact O-N 3.08Š| ||
| 1638 | V | 36.3 | Very low | 47.7 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -74.6 | 96.1 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | R1636 Q1640 | R1636-V1638 PolarHBondContact O-N 3.26Å; V1638-Q1640 PolarHBondContact O-N 2.81Å | ||
| 1639 | N | 31.2 | Very low | 45.7 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | trans | -48.1 | 139.4 | 166.4 | -77.5 | -38 | 0 | 0 | 0 | 109.3 | H1637 M1641 | H1637-N1639 PolarHBondContact O-N 3.08Å; N1639-M1641 VanDerWaalsContact C-N 3.28Å; N1639-M1641 PolarHBondContact O-N 3.27Å | ||
| 1640 | Q | 31.2 | Very low | 44.4 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | -62.5 | 79.5 | -170.4 | -67.6 | 173.7 | -25.9 | 0 | 0 | 113 | V1638 L1642 | V1638-Q1640 PolarHBondContact O-N 2.81Å; Q1640-L1642 PolarHBondContact O-N 2.79Å | ||
| 1641 | M | 31.2 | Very low | 43.7 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 86% | 0.862 | 65% | 0.647 | S | S | * | * | trans | -70.7 | 97.2 | 163.4 | -91.3 | -168 | 158 | 0 | 0 | 108.1 | N1639 L1643 | N1639-M1641 VanDerWaalsContact C-N 3.28Å; N1639-M1641 PolarHBondContact O-N 3.27Å; M1641-L1643 PolarHBondContact O-N 2.91Å | ||
| 1642 | L | 30.8 | Very low | 43.5 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | trans | -60.7 | 81.6 | 171.4 | -71.3 | 155.4 | 0 | 0 | 0 | 110.1 | Q1640 | Q1640-L1642 PolarHBondContact O-N 2.79Š| ||
| 1643 | L | 31.4 | Very low | 44 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -56.3 | 122 | 158.8 | -74 | 171.9 | 0 | 0 | 0 | 106.8 | M1641 | M1641-L1643 PolarHBondContact O-N 2.91Š| ||
| 1644 | P | 32.5 | Very low | 45.1 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | trans | -62.5 | 136.3 | -175 | 25 | -33.6 | 0 | 0 | 0 | 109.2 | Y1646 | P1644-Y1646 PolarHBondContact O-N 3.19Š| ||
| 1645 | P | 31.9 | Very low | 46.2 | Very low | 111 Ų | 111 | 124 Ų | 124 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | trans | -64.5 | 105 | -174.4 | 25.1 | -34 | 0 | 0 | 0 | 110 | R1647 | P1645-R1647 PolarHBondContact O-N 3.11Š| ||
| 1646 | Y | 32.7 | Very low | 47.8 | Very low | 204 Ų | 204 | 119.5 Ų | 119.5 | 80% | 0.8 | 61% | 0.61 | S | S | * | * | trans | -70.7 | 96.2 | 176.5 | -142.2 | -90 | 0 | 0 | 0 | 108 | P1644 T1648 | P1644-Y1646 PolarHBondContact O-N 3.19Å; Y1646-T1648 VanDerWaalsContact C-N 3.26Å; Y1646-T1648 HydrophobicContact CD1-CG2 4.19Å; Y1646-T1648 HydrophobicContact CE1-CG2 4.5Å; Y1646-T1648 PolarHBondContact O-N 3.42Å | ||
| 1647 | R | 33.4 | Very low | 50.1 | Low | 214 Ų | 214 | 111 Ų | 111 | 81% | 0.808 | 58% | 0.578 | S | S | * | * | trans | -81.3 | 67.7 | -158.6 | -162.6 | -170.8 | -56.3 | -151.6 | 3 | 112.2 | P1645 | P1645-R1647 PolarHBondContact O-N 3.11Š| ||
| 1648 | T | 37.9 | Very low | 52.4 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | trans | -117 | 1.5 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | Y1646 I1650 | Y1646-T1648 VanDerWaalsContact C-N 3.26Å; Y1646-T1648 HydrophobicContact CD1-CG2 4.19Å; Y1646-T1648 HydrophobicContact CE1-CG2 4.5Å; Y1646-T1648 PolarHBondContact O-N 3.42Å; T1648-I1650 PolarHBondContact O-N 2.95Å; T1648-I1650 VanDerWaalsContact O-N 3.12Å | ||
| 1649 | E | 50.2 | Low | 54.4 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | trans | -67.1 | 109.5 | 162 | -73.9 | -166.8 | 136.3 | 0 | 0 | 108.9 | R1475 F1651 N1831 | R1475-E1649 IonicContact CZ-OE1 2.99Å; R1475-E1649 IonicContact NH1-OE1 2.64Å; R1475-E1649 PolarHBondContact NH1-OE1 2.74Å; R1475-E1649 IonicContact NH2-OE1 2.75Å; R1475-E1649 PolarHBondContact NH2-OE1 3.5Å; R1475-E1649 VanDerWaalsContact NH2-OE1 3.14Å; E1649-F1651 PolarHBondContact O-N 3.3Å; E1649-N1831 PolarHBondContact O-ND2 3.49Å | ||
| 1650 | I | 61.6 | Low | 56.6 | Low | 59 Ų | 59 | 97 Ų | 97 | 30% | 0.303 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -65 | -27.5 | -179.4 | -66.5 | 168.2 | 0 | 0 | 0 | 110.9 | T1648 M1830 N1831 | T1648-I1650 PolarHBondContact O-N 2.95Å; T1648-I1650 VanDerWaalsContact O-N 3.12Å; I1650-M1830 WeakPolarHBondContact O-CA 3.33Å; I1650-N1831 PolarHBondContact O-N 3.11Å |
| 1651 | F | 73.1 | Confident | 58.4 | Low | 27 Ų | 27 | 88.4 Ų | 88.4 | 12% | 0.118 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.5 | -176.4 | -59.3 | -84.4 | 0 | 0 | 0 | 111.2 | E1649 P1678 A1828 L1829 M1830 | E1649-F1651 PolarHBondContact O-N 3.3Å; F1651-P1678 HydrophobicContact CB-CG 3.94Å; F1651-P1678 HydrophobicContact CD1-CG 3.68Å; F1651-P1678 HydrophobicContact CD2-CG 3.62Å; F1651-P1678 VanDerWaalsContact CE1-CD 3.45Å; F1651-P1678 HydrophobicContact CE1-CG 3.97Å; F1651-P1678 HydrophobicContact CE2-CG 3.92Å; F1651-P1678 HydrophobicContact CG-CG 3.48Å; F1651-P1678 VanDerWaalsContact CG-CG 3.48Å; F1651-P1678 HydrophobicContact CZ-CG 4.08Å; F1651-A1828 HydrophobicContact CB-CB 3.93Å; F1651-A1828 HydrophobicContact CD1-CB 4.3Å; F1651-A1828 HydrophobicContact CG-CB 4.49Å; F1651-L1829 CarbonylContact C-O 3.56Å; F1651-L1829 VanDerWaalsContact CA-O 3.26Å; F1651-L1829 WeakPolarHBondContact CA-O 3.17Å; F1651-M1830 HydrophobicContact CD1-CG 3.77Å; F1651-M1830 HydrophobicContact CE1-CE 3.44Å; F1651-M1830 VanDerWaalsContact CE1-CE 3.44Å; F1651-M1830 HydrophobicContact CE1-CG 3.54Å; F1651-M1830 HydrophobicContact CE1-SD 4.34Å; F1651-M1830 HydrophobicContact CZ-CE 3.69Å; F1651-M1830 HydrophobicContact CZ-CG 4.43Å |
| 1652 | Y | 75.8 | Confident | 60.1 | Low | 106 Ų | 106 | 80.6 Ų | 80.6 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.8 | 172.3 | 64.3 | -84.8 | 0 | 0 | 0 | 111.3 | L1829 | Y1652-L1829 HydrophobicContact CD1-CB 4.23Å; Y1652-L1829 WeakPolarHBondContact CD1-O 3.11Å; Y1652-L1829 HydrophobicContact CD2-CB 4.21Å; Y1652-L1829 HydrophobicContact CD2-CD1 4.48Å; Y1652-L1829 HydrophobicContact CE1-CB 3.75Å; Y1652-L1829 WeakPolarHBondContact CE1-O 3.44Å; Y1652-L1829 HydrophobicContact CE2-CB 3.73Å; Y1652-L1829 HydrophobicContact CE2-CD1 3.67Å; Y1652-L1829 HydrophobicContact CE2-CG 4.33Å; Y1652-L1829 HydrophobicContact CG-CB 4.44Å; Y1652-L1829 VanDerWaalsContact CZ-CB 3.47Å; Y1652-L1829 PolarHBondContact N-O 2.82Å; Y1652-L1829 PolarHBondContact O-N 3.09Å |
| 1653 | C | 82.9 | Confident | 61.4 | Low | 29 Ų | 29 | 73.7 Ų | 73.7 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 151.8 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | F1657 L1659 C1680 | C1653-F1657 HydrophobicContact CB-CB 4.19Å; C1653-F1657 VanDerWaalsContact CB-O 3.31Å; C1653-F1657 WeakPolarHBondContact CB-O 3.45Å; C1653-L1659 WeakPolarHBondContact SG-CA 3.48Å; C1653-L1659 VanDerWaalsContact SG-CB 3.58Å; C1653-L1659 PolarHBondContact SG-N 2.87Å; C1653-L1659 VanDerWaalsContact SG-N 3.36Å; C1653-C1680 WeakPolarHBondContact CA-SG 3.47Å; C1653-C1680 HydrophobicContact CB-CB 3.78Å; C1653-C1680 WeakPolarHBondContact CB-SG 3.36Å; C1653-C1680 WeakPolarHBondContact SG-CB 3.37Å; C1653-C1680 CovalentContact SG-SG 2.03Å; C1653-C1680 PolarHBondContact SG-SG 3.16Å |
| 1654 | P | 82.6 | Confident | 62.5 | Low | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 153.7 | 166.2 | -23.8 | 35.8 | 0 | 0 | 0 | 113 | G1656 F1657 Y1707 T1826 L1829 | P1654-G1656 PolarHBondContact O-N 3Å; P1654-F1657 HydrophobicContact CB-CD2 4.23Å; P1654-F1657 PolarHBondContact O-N 3.22Å; P1654-Y1707 HydrophobicContact CB-CD1 4.45Å; P1654-Y1707 HydrophobicContact CB-CD2 4.45Å; P1654-Y1707 HydrophobicContact CB-CE1 3.82Å; P1654-Y1707 HydrophobicContact CB-CE2 3.83Å; P1654-Y1707 VanDerWaalsContact CB-CZ 3.48Å; P1654-Y1707 HydrophobicContact CG-CD1 3.87Å; P1654-Y1707 HydrophobicContact CG-CD2 3.86Å; P1654-Y1707 HydrophobicContact CG-CE1 3.75Å; P1654-Y1707 HydrophobicContact CG-CE2 3.74Å; P1654-Y1707 HydrophobicContact CG-CG 3.94Å; P1654-T1826 HydrophobicContact CG-CG2 3.93Å; P1654-L1829 HydrophobicContact CG-CD1 4.3Å |
| 1655 | S | 74.5 | Confident | 63.4 | Low | 116 Ų | 116 | 69.4 Ų | 69.4 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 120.3 | -174.5 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1656 | G | 73.8 | Confident | 64 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1654 R1682 | P1654-G1656 PolarHBondContact O-N 3Å; G1656-R1682 VanDerWaalsContact O-CD 3.29Å; G1656-R1682 WeakPolarHBondContact O-CD 3.2Å; G1656-R1682 VanDerWaalsContact O-CG 3.29Å; G1656-R1682 WeakPolarHBondContact O-CG 3.39Å |
| 1657 | F | 84.5 | Confident | 64.4 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | trans | -104.7 | 146.1 | 164.6 | -66.7 | -107.3 | 0 | 0 | 0 | 110.4 | C1653 P1654 C1680 Y1681 R1682 L1702 V1709 C1824 T1826 | C1653-F1657 HydrophobicContact CB-CB 4.19Å; C1653-F1657 VanDerWaalsContact CB-O 3.31Å; C1653-F1657 WeakPolarHBondContact CB-O 3.45Å; P1654-F1657 HydrophobicContact CB-CD2 4.23Å; P1654-F1657 PolarHBondContact O-N 3.22Å; F1657-C1680 HydrophobicContact CB-CB 3.93Å; F1657-Y1681 CarbonylContact C-O 3.57Å; F1657-Y1681 WeakPolarHBondContact CA-O 3.42Å; F1657-R1682 HydrophobicContact CB-CB 4.43Å; F1657-R1682 HydrophobicContact CD1-CB 3.42Å; F1657-R1682 VanDerWaalsContact CD1-CB 3.42Å; F1657-R1682 HydrophobicContact CD2-CB 4.28Å; F1657-R1682 HydrophobicContact CE1-CB 3.63Å; F1657-R1682 HydrophobicContact CE2-CB 4.46Å; F1657-R1682 HydrophobicContact CG-CB 3.77Å; F1657-R1682 HydrophobicContact CZ-CB 4.15Å; F1657-L1702 HydrophobicContact CZ-CD1 4.23Å; F1657-V1709 HydrophobicContact CE1-CG1 4.1Å; F1657-V1709 HydrophobicContact CZ-CG1 3.83Å; F1657-V1709 HydrophobicContact CZ-CG2 3.95Å; F1657-C1824 HydrophobicContact CE1-CB 4.27Å; F1657-T1826 HydrophobicContact CD1-CG2 3.97Å; F1657-T1826 HydrophobicContact CE1-CG2 4.14Å; F1657-T1826 HydrophobicContact CG-CG2 4.23Å | ||
| 1658 | Q | 80.7 | Confident | 64.4 | Low | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.6 | -179.2 | -177 | 65.6 | 5.1 | 0 | 0 | 111 | C1680 Y1681 | Q1658-C1680 CarbonylContact O-C 3.46Å; Q1658-C1680 VanDerWaalsContact O-CA 3.29Å; Q1658-C1680 WeakPolarHBondContact O-CA 3.47Å; Q1658-Y1681 PolarHBondContact N-O 2.93Å; Q1658-Y1681 PolarHBondContact O-N 2.8Å |
| 1659 | L | 79.4 | Confident | 64.2 | Low | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.2 | -177.7 | -168.6 | 64.2 | 0 | 0 | 0 | 111.9 | C1653 L1664 P1678 A1828 | C1653-L1659 WeakPolarHBondContact SG-CA 3.48Å; C1653-L1659 VanDerWaalsContact SG-CB 3.58Å; C1653-L1659 PolarHBondContact SG-N 2.87Å; C1653-L1659 VanDerWaalsContact SG-N 3.36Å; L1659-L1664 HydrophobicContact CD2-CD2 4.03Å; L1659-L1664 HydrophobicContact CG-CD2 4.4Å; L1659-P1678 HydrophobicContact CD1-CB 4.09Å; L1659-P1678 HydrophobicContact CD1-CG 4.38Å; L1659-A1828 HydrophobicContact CD1-CB 3.77Å |
| 1660 | G | 76.3 | Confident | 63.2 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | trans | -75.7 | -176.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1679 | G1660-M1679 PolarHBondContact N-O 3.01Š| ||
| 1661 | T | 69.7 | Low | 61.7 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -96.9 | -12 | 178.6 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | S1526 L1527 N1530 F1722 | S1526-T1661 PolarHBondContact O-OG1 3.33Å; S1526-T1661 VanDerWaalsContact O-OG1 3.12Å; S1526-T1661 PolarHBondContact OG-OG1 2.86Å; L1527-T1661 HydrophobicContact CD2-CG2 3.86Å; N1530-T1661 PolarHBondContact ND2-O 3.05Å; T1661-F1722 HydrophobicContact CG2-CD2 3.69Å; T1661-F1722 HydrophobicContact CG2-CE2 4.02Å |
| 1662 | T | 65.5 | Low | 59.5 | Low | 11 Ų | 11 | 72.7 Ų | 72.7 | 7% | 0.067 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -90 | 151.9 | -174.4 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | D1529 L1664 P1678 F1718 E1719 | D1529-T1662 HydrophobicContact CB-CG2 4.02Å; D1529-T1662 WeakPolarHBondContact OD2-CA 3.22Å; D1529-T1662 VanDerWaalsContact OD2-CB 3.24Å; D1529-T1662 WeakPolarHBondContact OD2-CB 3.48Å; T1662-L1664 PolarHBondContact O-N 2.03Å; T1662-P1678 VanDerWaalsContact O-CB 3.29Å; T1662-P1678 WeakPolarHBondContact O-CB 3.44Å; T1662-F1718 HydrophobicContact CG2-CB 4.06Å; T1662-E1719 HydrophobicContact CG2-CB 4.33Å |
| 1663 | G | 59.5 | Low | 57.5 | Low | 18 Ų | 18 | 69.5 Ų | 69.5 | 19% | 0.186 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 68.1 | 26.2 | 170 | 0 | 0 | 0 | 0 | 0 | 117.3 | D1529 | D1529-G1663 PolarHBondContact OD2-N 2.58Š|
| 1664 | L | 54.5 | Low | 55.2 | Low | 46 Ų | 46 | 78.3 Ų | 78.3 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | trans | -90.7 | -17.4 | -170.9 | -68.9 | 171.1 | 0 | 0 | 0 | 115.7 | N1530 L1659 T1662 P1678 | N1530-L1664 PolarHBondContact OD1-N 2.98Å; L1659-L1664 HydrophobicContact CD2-CD2 4.03Å; L1659-L1664 HydrophobicContact CG-CD2 4.4Å; T1662-L1664 PolarHBondContact O-N 2.03Å; L1664-P1678 HydrophobicContact CD2-CB 3.76Å; L1664-P1678 HydrophobicContact CD2-CG 4Å; L1664-P1678 HydrophobicContact CG-CB 4.41Å | ||
| 1665 | L | 51.8 | Low | 53.3 | Low | 107 Ų | 107 | 83 Ų | 83 | 56% | 0.56 | 47% | 0.469 | S | S | * | . | trans | -104.3 | 148.2 | -172.2 | -64 | -174.5 | 0 | 0 | 0 | 114.6 | T1486 N1530 | T1486-L1665 HydrophobicContact CG2-CD1 4.1Å; N1530-L1665 HydrophobicContact CB-CD1 3.91Å; N1530-L1665 HydrophobicContact CB-CG 4.26Å | ||
| 1666 | K | 44.3 | Very low | 52.2 | Low | 160 Ų | 160 | 81.4 Ų | 81.4 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | trans | -92.5 | 109.5 | 170.4 | -76.8 | -175.5 | 174.7 | 179 | 0 | 111.3 | ||||
| 1667 | V | 41.2 | Very low | 51.5 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | trans | -66.4 | 132.9 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1668 | K | 32 | Very low | 50.8 | Low | 205 Ų | 205 | 81.9 Ų | 81.9 | 89% | 0.891 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -83.1 | 124.5 | 178.2 | -73.4 | 178.3 | -179.1 | 169.4 | 0 | 110.9 | ||
| 1669 | G | 34.5 | Very low | 50.9 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 109.9 | -11.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1670 | Q | 28.4 | Very low | 51.3 | Low | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 43% | 0.426 | S | S | . | . | trans | -85.6 | 143.7 | 171.7 | -68.5 | -175.4 | -4.2 | 0 | 0 | 111.4 | ||||
| 1671 | S | 30.9 | Very low | 52 | Low | 112 Ų | 112 | 78 Ų | 78 | 78% | 0.783 | 43% | 0.426 | S | S | * | . | trans | -59.9 | 158.2 | 164.4 | -177 | 0 | 0 | 0 | 0 | 110 | A1673 | S1671-A1673 PolarHBondContact O-N 2.98Š| ||
| 1672 | M | 26.3 | Very low | 52.9 | Low | 153 Ų | 153 | 81.6 Ų | 81.6 | 75% | 0.754 | 44% | 0.439 | S | S | * | . | trans | -72.9 | 69.6 | 175.3 | -64.1 | -153.2 | -52.8 | 0 | 0 | 112.2 | ||||
| 1673 | A | 34.7 | Very low | 53.9 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | trans | -53.1 | 144.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S1671 L1675 | S1671-A1673 PolarHBondContact O-N 2.98Å; A1673-L1675 PolarHBondContact O-N 3.29Å | ||
| 1674 | K | 34.3 | Very low | 54.9 | Low | 213 Ų | 213 | 84 Ų | 84 | 93% | 0.926 | 44% | 0.444 | S | S | * | . | trans | -77 | 59.8 | -172.9 | -64.7 | -176.2 | 176.9 | -174.9 | 0 | 112.4 | ||||
| 1675 | L | 42.6 | Very low | 55.8 | Low | 108 Ų | 108 | 84.4 Ų | 84.4 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 141.9 | 162.3 | -77.2 | 154.9 | 0 | 0 | 0 | 108.8 | A1673 Q1677 | A1673-L1675 PolarHBondContact O-N 3.29Å; L1675-Q1677 PolarHBondContact O-N 2.89Å |
| 1676 | S | 52.2 | Low | 56.3 | Low | 82 Ų | 82 | 84 Ų | 84 | 57% | 0.573 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 127.8 | -167.3 | 40 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1677 | Q | 58.6 | Low | 57.3 | Low | 84 Ų | 84 | 82 Ų | 82 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 143.2 | 159.5 | -67.5 | 175 | -27.3 | 0 | 0 | 108.1 | L1675 L1827 | L1675-Q1677 PolarHBondContact O-N 2.89Å; Q1677-L1827 HydrophobicContact CB-CD2 4.1Å |
| 1678 | P | 70.3 | Confident | 58.7 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.006 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 145.1 | -178.8 | 24.8 | -30.6 | 0 | 0 | 0 | 110.7 | F1651 L1659 T1662 L1664 A1828 | F1651-P1678 HydrophobicContact CB-CG 3.94Å; F1651-P1678 HydrophobicContact CD1-CG 3.68Å; F1651-P1678 HydrophobicContact CD2-CG 3.62Å; F1651-P1678 VanDerWaalsContact CE1-CD 3.45Å; F1651-P1678 HydrophobicContact CE1-CG 3.97Å; F1651-P1678 HydrophobicContact CE2-CG 3.92Å; F1651-P1678 HydrophobicContact CG-CG 3.48Å; F1651-P1678 VanDerWaalsContact CG-CG 3.48Å; F1651-P1678 HydrophobicContact CZ-CG 4.08Å; L1659-P1678 HydrophobicContact CD1-CB 4.09Å; L1659-P1678 HydrophobicContact CD1-CG 4.38Å; T1662-P1678 VanDerWaalsContact O-CB 3.29Å; T1662-P1678 WeakPolarHBondContact O-CB 3.44Å; L1664-P1678 HydrophobicContact CD2-CB 3.76Å; L1664-P1678 HydrophobicContact CD2-CG 4Å; L1664-P1678 HydrophobicContact CG-CB 4.41Å; P1678-A1828 HydrophobicContact CG-CB 3.98Å; P1678-A1828 WeakPolarHBondContact O-CB 3.43Å; P1678-A1828 PolarHBondContact O-N 3.23Å |
| 1679 | M | 82.9 | Confident | 61.3 | Low | 26 Ų | 26 | 73.9 Ų | 73.9 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.8 | -174.4 | -68.6 | -63.3 | -70.4 | 0 | 0 | 112.3 | G1660 Y1681 Q1825 L1827 | G1660-M1679 PolarHBondContact N-O 3.01Å; M1679-Y1681 HydrophobicContact CB-CE1 4.18Å; M1679-Y1681 HydrophobicContact CB-CE2 3.87Å; M1679-Y1681 VanDerWaalsContact CB-OH 3.28Å; M1679-Y1681 WeakPolarHBondContact CB-OH 3.2Å; M1679-Q1825 HydrophobicContact CE-CB 3.96Å; M1679-Q1825 HydrophobicContact CE-CG 3.9Å; M1679-L1827 HydrophobicContact SD-CD2 3.61Å; M1679-L1827 HydrophobicContact SD-CG 4.33Å |
| 1680 | C | 87.1 | Confident | 63.9 | Low | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.5 | 179.1 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | C1653 F1657 Q1658 Q1825 T1826 A1828 | C1653-C1680 WeakPolarHBondContact CA-SG 3.47Å; C1653-C1680 HydrophobicContact CB-CB 3.78Å; C1653-C1680 WeakPolarHBondContact CB-SG 3.36Å; C1653-C1680 WeakPolarHBondContact SG-CB 3.37Å; C1653-C1680 CovalentContact SG-SG 2.03Å; C1653-C1680 PolarHBondContact SG-SG 3.16Å; F1657-C1680 HydrophobicContact CB-CB 3.93Å; Q1658-C1680 CarbonylContact O-C 3.46Å; Q1658-C1680 VanDerWaalsContact O-CA 3.29Å; Q1658-C1680 WeakPolarHBondContact O-CA 3.47Å; C1680-Q1825 CarbonylContact O-C 3.44Å; C1680-Q1825 WeakPolarHBondContact O-CA 3.35Å; C1680-T1826 HydrophobicContact CB-CG2 3.89Å; C1680-T1826 WeakPolarHBondContact CB-O 2.94Å; C1680-T1826 PolarHBondContact N-O 2.97Å; C1680-T1826 PolarHBondContact O-N 3.01Å; C1680-A1828 VanDerWaalsContact SG-CB 3.56Å |
| 1681 | Y | 90.6 | Very high | 66.9 | Low | 1 Ų | 1 | 67.2 Ų | 67.2 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.9 | -172 | -48.8 | -90.1 | 0 | 0 | 0 | 113.2 | F1657 Q1658 M1679 L1712 E1719 F1722 L1723 C1824 Q1825 | F1657-Y1681 CarbonylContact C-O 3.57Å; F1657-Y1681 WeakPolarHBondContact CA-O 3.42Å; Q1658-Y1681 PolarHBondContact N-O 2.93Å; Q1658-Y1681 PolarHBondContact O-N 2.8Å; M1679-Y1681 HydrophobicContact CB-CE1 4.18Å; M1679-Y1681 HydrophobicContact CB-CE2 3.87Å; M1679-Y1681 VanDerWaalsContact CB-OH 3.28Å; M1679-Y1681 WeakPolarHBondContact CB-OH 3.2Å; Y1681-L1712 HydrophobicContact CD1-CD1 3.81Å; Y1681-L1712 HydrophobicContact CE1-CD1 3.82Å; Y1681-E1719 VanDerWaalsContact OH-CD 3.31Å; Y1681-E1719 WeakPolarHBondContact OH-CG 3.26Å; Y1681-E1719 PolarHBondContact OH-OE1 3.19Å; Y1681-F1722 HydrophobicContact CD2-CD1 4.45Å; Y1681-F1722 AromaticContact CD2-CE1 3.65Å; Y1681-F1722 HydrophobicContact CD2-CE1 3.65Å; Y1681-F1722 HydrophobicContact CD2-CZ 4.5Å; Y1681-F1722 HydrophobicContact CE2-CD1 4.05Å; Y1681-F1722 AromaticContact CE2-CE1 3.64Å; Y1681-F1722 HydrophobicContact CE2-CE1 3.64Å; Y1681-L1723 HydrophobicContact CD1-CD2 3.99Å; Y1681-L1723 HydrophobicContact CE1-CD2 4Å; Y1681-L1723 HydrophobicContact CG-CD2 4.44Å; Y1681-C1824 CarbonylContact C-O 3.58Å; Y1681-C1824 WeakPolarHBondContact CA-O 3Å; Y1681-Q1825 HydrophobicContact CD1-CB 3.92Å; Y1681-Q1825 HydrophobicContact CE1-CB 4.3Å |
| 1682 | R | 88.5 | Confident | 69.8 | Low | 79 Ų | 79 | 62.4 Ų | 62.4 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 130.9 | 179.1 | 174.7 | 179.8 | 171 | 168.1 | -5.3 | 111.9 | G1656 F1657 F1684 C1824 | G1656-R1682 VanDerWaalsContact O-CD 3.29Å; G1656-R1682 WeakPolarHBondContact O-CD 3.2Å; G1656-R1682 VanDerWaalsContact O-CG 3.29Å; G1656-R1682 WeakPolarHBondContact O-CG 3.39Å; F1657-R1682 HydrophobicContact CB-CB 4.43Å; F1657-R1682 HydrophobicContact CD1-CB 3.42Å; F1657-R1682 VanDerWaalsContact CD1-CB 3.42Å; F1657-R1682 HydrophobicContact CD2-CB 4.28Å; F1657-R1682 HydrophobicContact CE1-CB 3.63Å; F1657-R1682 HydrophobicContact CE2-CB 4.46Å; F1657-R1682 HydrophobicContact CG-CB 3.77Å; F1657-R1682 HydrophobicContact CZ-CB 4.15Å; R1682-F1684 PolarHBondContact O-N 3.36Å; R1682-C1824 PolarHBondContact N-O 3.22Å; R1682-C1824 PolarHBondContact O-N 2.9Å |
| 1683 | V | 86.6 | Confident | 72.8 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.3 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | N1685 W1726 L1727 V1822 | V1683-N1685 WeakPolarHBondContact CG1-O 3.33Å; V1683-W1726 HydrophobicContact CG2-CH2 3.96Å; V1683-W1726 HydrophobicContact CG2-CZ3 4.26Å; V1683-L1727 HydrophobicContact CG2-CD2 4.38Å; V1683-V1822 WeakPolarHBondContact CA-O 3.15Å |
| 1684 | F | 81 | Confident | 75.4 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -67.9 | -53.8 | -172.9 | -177.6 | -89.6 | 0 | 0 | 0 | 112.2 | R1682 M1690 A1698 L1702 V1822 | R1682-F1684 PolarHBondContact O-N 3.36Å; F1684-M1690 HydrophobicContact CD1-CE 3.86Å; F1684-M1690 HydrophobicContact CE1-CE 4.12Å; F1684-A1698 HydrophobicContact CD1-CB 4.29Å; F1684-A1698 HydrophobicContact CD2-CB 4.15Å; F1684-A1698 HydrophobicContact CE1-CB 3.95Å; F1684-A1698 HydrophobicContact CE2-CB 3.8Å; F1684-A1698 VanDerWaalsContact CE2-O 3.31Å; F1684-A1698 WeakPolarHBondContact CE2-O 3.45Å; F1684-A1698 HydrophobicContact CG-CB 4.4Å; F1684-A1698 HydrophobicContact CZ-CB 3.71Å; F1684-L1702 HydrophobicContact CD2-CD1 3.78Å; F1684-L1702 HydrophobicContact CD2-CG 4.39Å; F1684-L1702 HydrophobicContact CE2-CD1 3.98Å; F1684-L1702 HydrophobicContact CE2-CD2 4.35Å; F1684-L1702 HydrophobicContact CE2-CG 4.1Å; F1684-V1822 HydrophobicContact CB-CB 4Å; F1684-V1822 HydrophobicContact CB-CG1 3.8Å; F1684-V1822 HydrophobicContact CG-CG1 4.47Å; F1684-V1822 PolarHBondContact N-O 3.12Å |
| 1685 | N | 74 | Confident | 78 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | trans | -143.1 | 149.9 | 173.7 | -164.8 | -28.8 | 0 | 0 | 0 | 108.5 | V1683 V1687 A1688 | V1683-N1685 WeakPolarHBondContact CG1-O 3.33Å; N1685-V1687 PolarHBondContact OD1-N 3.02Å; N1685-V1687 VanDerWaalsContact OD1-N 3.1Å; N1685-A1688 HydrophobicContact CB-CB 4.31Å; N1685-A1688 WeakPolarHBondContact ND2-CB 3.35Å; N1685-A1688 PolarHBondContact OD1-N 2.84Å | ||
| 1686 | H | 62.1 | Low | 80.4 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 45% | 0.454 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -118 | -7.4 | -168.6 | 51.8 | -70.5 | 0 | 0 | 0 | 113.3 | R1731 F1821 | H1686-R1731 PolarHBondContact CD2-NH1 3.03Å; H1686-R1731 VanDerWaalsContact CD2-NH1 3.28Å; H1686-R1731 PolarHBondContact CE1-NH1 3.02Å; H1686-R1731 VanDerWaalsContact CG-CZ 3.44Å; H1686-R1731 PolarHBondContact ND1-NH1 3.09Å; H1686-R1731 PolarHBondContact NE2-NH1 3.04Å; H1686-F1821 WeakPolarHBondContact O-CE1 3.46Å |
| 1687 | V | 64.9 | Low | 82.1 | Confident | 120 Ų | 120 | 44.3 Ų | 44.3 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -115.3 | -35.7 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | N1685 | N1685-V1687 PolarHBondContact OD1-N 3.02Å; N1685-V1687 VanDerWaalsContact OD1-N 3.1Å |
| 1688 | A | 70.8 | Confident | 83.4 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | trans | -89 | 109.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1685 | N1685-A1688 HydrophobicContact CB-CB 4.31Å; N1685-A1688 WeakPolarHBondContact ND2-CB 3.35Å; N1685-A1688 PolarHBondContact OD1-N 2.84Å | ||
| 1689 | K | 86.5 | Confident | 84.4 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | trans | -77.6 | 151.8 | 158.9 | -59.5 | -169.6 | -175.8 | -162.3 | 0 | 110.1 | E1742 H1819 Q1820 F1821 | K1689-E1742 WeakPolarHBondContact CE-OE1 3.44Å; K1689-E1742 IonicContact NZ-OE1 3.8Å; K1689-E1742 PolarHBondContact NZ-OE1 2.87Å; K1689-E1742 IonicContact NZ-OE2 2.74Å; K1689-E1742 PolarHBondContact NZ-OE2 2.72Å; K1689-H1819 HydrophobicContact CB-CB 3.98Å; K1689-H1819 VanDerWaalsContact CD-O 3.23Å; K1689-H1819 WeakPolarHBondContact CD-O 3.44Å; K1689-Q1820 CarbonylContact C-O 3.38Å; K1689-Q1820 VanDerWaalsContact CA-O 3.3Å; K1689-Q1820 WeakPolarHBondContact CA-O 3.42Å; K1689-F1821 HydrophobicContact CD-CD2 4.49Å; K1689-F1821 HydrophobicContact CD-CE2 4.36Å; K1689-F1821 HydrophobicContact CD-CZ 4.44Å; K1689-F1821 HydrophobicContact CG-CD1 3.86Å; K1689-F1821 HydrophobicContact CG-CD2 4.32Å; K1689-F1821 HydrophobicContact CG-CE1 3.75Å; K1689-F1821 HydrophobicContact CG-CE2 4.26Å; K1689-F1821 HydrophobicContact CG-CG 4.14Å; K1689-F1821 HydrophobicContact CG-CZ 3.98Å | ||
| 1690 | M | 88.6 | Confident | 84.6 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -148.9 | 164.9 | 179.3 | 68.7 | -171 | 79.9 | 0 | 0 | 112.8 | F1684 A1695 A1698 W1745 H1819 Q1820 V1822 | F1684-M1690 HydrophobicContact CD1-CE 3.86Å; F1684-M1690 HydrophobicContact CE1-CE 4.12Å; M1690-A1695 HydrophobicContact CG-CB 4Å; M1690-A1695 HydrophobicContact SD-CB 4.24Å; M1690-A1698 HydrophobicContact SD-CB 4.06Å; M1690-W1745 PolarHBondContact O-NE1 3.08Å; M1690-H1819 WeakPolarHBondContact O-CA 3.37Å; M1690-Q1820 PolarHBondContact N-O 2.63Å; M1690-Q1820 PolarHBondContact O-N 3.07Å; M1690-Q1820 VanDerWaalsContact O-N 3.08Å; M1690-V1822 HydrophobicContact CE-CG2 3.95Å; M1690-V1822 HydrophobicContact CG-CG2 3.61Å; M1690-V1822 HydrophobicContact SD-CG2 3.91Å |
| 1691 | N | 91.3 | Very high | 84.7 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | trans | -68.6 | 161.1 | 174.5 | 72.6 | 2.7 | 0 | 0 | 0 | 112.6 | A1693 S1694 A1695 E1817 T1818 | N1691-A1693 VanDerWaalsContact C-N 3.32Å; N1691-A1693 PolarHBondContact O-N 2.93Å; N1691-S1694 PolarHBondContact O-N 2.57Å; N1691-S1694 WeakPolarHBondContact OD1-CB 3.07Å; N1691-S1694 PolarHBondContact OD1-N 3.13Å; N1691-S1694 PolarHBondContact OD1-OG 3.11Å; N1691-A1695 WeakPolarHBondContact O-CB 3.07Å; N1691-A1695 PolarHBondContact O-N 2.65Å; N1691-E1817 PolarHBondContact ND2-OE2 2.75Å; N1691-T1818 WeakPolarHBondContact CA-O 3.38Å | ||
| 1692 | W | 92.2 | Very high | 84.5 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 5% | 0.045 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | -174.1 | -176.3 | 92.2 | 0 | 0 | 0 | 112.9 | A1695 N1696 L1711 W1745 T1746 K1749 E1764 C1787 C1816 | W1692-A1695 WeakPolarHBondContact O-CB 2.97Å; W1692-A1695 PolarHBondContact O-N 3.15Å; W1692-N1696 HydrophobicContact CE3-CB 4.45Å; W1692-N1696 HydrophobicContact CH2-CB 4.04Å; W1692-N1696 WeakPolarHBondContact CH2-ND2 3.47Å; W1692-N1696 HydrophobicContact CZ2-CB 4.36Å; W1692-N1696 HydrophobicContact CZ3-CB 4.08Å; W1692-N1696 PolarHBondContact O-N 3.26Å; W1692-L1711 HydrophobicContact CZ2-CD1 4.33Å; W1692-W1745 HydrophobicContact CB-CD2 4.02Å; W1692-W1745 HydrophobicContact CB-CE3 4.25Å; W1692-W1745 HydrophobicContact CB-CH2 4.12Å; W1692-W1745 HydrophobicContact CB-CZ2 3.86Å; W1692-W1745 HydrophobicContact CB-CZ3 4.31Å; W1692-W1745 AromaticContact CD1-CD2 3.75Å; W1692-W1745 AromaticContact CD1-CE3 3.49Å; W1692-W1745 VanDerWaalsContact CD1-CE3 3.49Å; W1692-W1745 AromaticContact CD1-CZ3 3.97Å; W1692-W1745 HydrophobicContact CG-CD2 4.31Å; W1692-W1745 HydrophobicContact CG-CE3 4.27Å; W1692-T1746 PolarHBondContact NE1-O 3.22Å; W1692-K1749 HydrophobicContact CD2-CD 4.21Å; W1692-K1749 HydrophobicContact CE3-CD 3.75Å; W1692-K1749 HydrophobicContact CH2-CB 3.97Å; W1692-K1749 HydrophobicContact CH2-CD 3.68Å; W1692-K1749 HydrophobicContact CH2-CG 4.49Å; W1692-K1749 HydrophobicContact CZ2-CB 3.68Å; W1692-K1749 HydrophobicContact CZ2-CD 4.13Å; W1692-K1749 HydrophobicContact CZ3-CD 3.49Å; W1692-K1749 VanDerWaalsContact CZ3-CD 3.49Å; W1692-E1764 HydrophobicContact CH2-CB 4.13Å; W1692-E1764 VanDerWaalsContact CH2-CD 3.47Å; W1692-E1764 HydrophobicContact CH2-CG 4.24Å; W1692-E1764 WeakPolarHBondContact CH2-OE1 3.44Å; W1692-E1764 WeakPolarHBondContact CH2-OE2 3.1Å; W1692-E1764 HydrophobicContact CZ2-CB 4.31Å; W1692-C1787 HydrophobicContact CB-CB 4.24Å; W1692-C1787 HydrophobicContact CG-CB 3.93Å; W1692-C1787 VanDerWaalsContact CG-SG 3.57Å; W1692-C1816 HydrophobicContact CB-CB 4.36Å; W1692-C1816 WeakPolarHBondContact CB-O 3.35Å; W1692-C1816 PolarHBondContact N-O 2.95Å |
| 1693 | A | 88.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1691 A1695 M1697 | N1691-A1693 VanDerWaalsContact C-N 3.32Å; N1691-A1693 PolarHBondContact O-N 2.93Å; A1693-A1695 VanDerWaalsContact C-N 3.34Å; A1693-M1697 WeakPolarHBondContact O-CE 3.14Å; A1693-M1697 PolarHBondContact O-N 3.35Å; A1693-M1697 VanDerWaalsContact O-N 3.16Å |
| 1694 | S | 89.8 | Confident | 84.2 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 173.4 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | N1691 M1697 A1698 | N1691-S1694 PolarHBondContact O-N 2.57Å; N1691-S1694 WeakPolarHBondContact OD1-CB 3.07Å; N1691-S1694 PolarHBondContact OD1-N 3.13Å; N1691-S1694 PolarHBondContact OD1-OG 3.11Å; S1694-M1697 PolarHBondContact O-N 3.4Å; S1694-A1698 WeakPolarHBondContact O-CB 3.41Å; S1694-A1698 PolarHBondContact O-N 2.8Å |
| 1695 | A | 90.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1690 N1691 W1692 A1693 A1698 C1699 L1711 W1745 V1822 | M1690-A1695 HydrophobicContact CG-CB 4Å; M1690-A1695 HydrophobicContact SD-CB 4.24Å; N1691-A1695 WeakPolarHBondContact O-CB 3.07Å; N1691-A1695 PolarHBondContact O-N 2.65Å; W1692-A1695 WeakPolarHBondContact O-CB 2.97Å; W1692-A1695 PolarHBondContact O-N 3.15Å; A1693-A1695 VanDerWaalsContact C-N 3.34Å; A1695-A1698 PolarHBondContact O-N 3.42Å; A1695-C1699 PolarHBondContact O-N 2.99Å; A1695-L1711 HydrophobicContact CB-CD1 4.28Å; A1695-L1711 HydrophobicContact CB-CD2 4.02Å; A1695-W1745 HydrophobicContact CB-CB 4.31Å; A1695-W1745 HydrophobicContact CB-CG 4.29Å; A1695-V1822 HydrophobicContact CB-CB 4.42Å; A1695-V1822 HydrophobicContact CB-CG1 4.05Å; A1695-V1822 HydrophobicContact CB-CG2 3.48Å; A1695-V1822 VanDerWaalsContact CB-CG2 3.48Å |
| 1696 | N | 91.2 | Very high | 83.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.6 | -165.9 | 7.6 | 0 | 0 | 0 | 111.4 | W1692 K1700 L1711 E1764 | W1692-N1696 HydrophobicContact CE3-CB 4.45Å; W1692-N1696 HydrophobicContact CH2-CB 4.04Å; W1692-N1696 WeakPolarHBondContact CH2-ND2 3.47Å; W1692-N1696 HydrophobicContact CZ2-CB 4.36Å; W1692-N1696 HydrophobicContact CZ3-CB 4.08Å; W1692-N1696 PolarHBondContact O-N 3.26Å; N1696-K1700 PolarHBondContact ND2-NZ 2.54Å; N1696-K1700 WeakPolarHBondContact O-CB 3.25Å; N1696-K1700 WeakPolarHBondContact O-CG 3.35Å; N1696-K1700 PolarHBondContact O-N 3.08Å; N1696-K1700 WeakPolarHBondContact OD1-CD 3.37Å; N1696-K1700 WeakPolarHBondContact OD1-CE 3.38Å; N1696-K1700 PolarHBondContact OD1-NZ 3.37Å; N1696-L1711 HydrophobicContact CB-CD1 3.69Å; N1696-L1711 HydrophobicContact CB-CG 4.49Å; N1696-E1764 PolarHBondContact ND2-OE2 3.07Å; N1696-E1764 VanDerWaalsContact ND2-OE2 3.16Å |
| 1697 | M | 88.1 | Confident | 84.7 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 173.9 | -70.9 | -173.4 | -73.3 | 0 | 0 | 112.4 | A1693 S1694 C1699 K1700 N1701 | A1693-M1697 WeakPolarHBondContact O-CE 3.14Å; A1693-M1697 PolarHBondContact O-N 3.35Å; A1693-M1697 VanDerWaalsContact O-N 3.16Å; S1694-M1697 PolarHBondContact O-N 3.4Å; M1697-C1699 PolarHBondContact O-N 3.26Å; M1697-K1700 PolarHBondContact O-N 2.04Å; M1697-N1701 VanDerWaalsContact O-CB 3.3Å; M1697-N1701 WeakPolarHBondContact O-CB 3.42Å; M1697-N1701 PolarHBondContact O-N 2.71Å; M1697-N1701 PolarHBondContact O-ND2 3.08Å |
| 1698 | A | 87 | Confident | 85.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F1684 M1690 S1694 A1695 | F1684-A1698 HydrophobicContact CD1-CB 4.29Å; F1684-A1698 HydrophobicContact CD2-CB 4.15Å; F1684-A1698 HydrophobicContact CE1-CB 3.95Å; F1684-A1698 HydrophobicContact CE2-CB 3.8Å; F1684-A1698 VanDerWaalsContact CE2-O 3.31Å; F1684-A1698 WeakPolarHBondContact CE2-O 3.45Å; F1684-A1698 HydrophobicContact CG-CB 4.4Å; F1684-A1698 HydrophobicContact CZ-CB 3.71Å; M1690-A1698 HydrophobicContact SD-CB 4.06Å; S1694-A1698 WeakPolarHBondContact O-CB 3.41Å; S1694-A1698 PolarHBondContact O-N 2.8Å; A1695-A1698 PolarHBondContact O-N 3.42Å |
| 1699 | C | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 173.7 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | A1695 M1697 N1701 L1702 V1709 S1710 C1824 | A1695-C1699 PolarHBondContact O-N 2.99Å; M1697-C1699 PolarHBondContact O-N 3.26Å; C1699-N1701 PolarHBondContact O-N 3.43Å; C1699-L1702 WeakPolarHBondContact O-CB 3.39Å; C1699-L1702 PolarHBondContact O-N 2.88Å; C1699-V1709 HydrophobicContact CB-CG1 4.25Å; C1699-V1709 WeakPolarHBondContact O-CB 3.42Å; C1699-V1709 VanDerWaalsContact O-CG1 3.28Å; C1699-V1709 WeakPolarHBondContact O-CG1 3.43Å; C1699-S1710 VanDerWaalsContact CB-C 3.49Å; C1699-C1824 WeakPolarHBondContact CA-SG 3.46Å; C1699-C1824 HydrophobicContact CB-CB 3.76Å; C1699-C1824 WeakPolarHBondContact CB-SG 3.48Å; C1699-C1824 WeakPolarHBondContact SG-CA 3.45Å; C1699-C1824 WeakPolarHBondContact SG-CB 3.46Å; C1699-C1824 CovalentContact SG-SG 2.04Å; C1699-C1824 PolarHBondContact SG-SG 3.16Å |
| 1700 | K | 87.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -27.4 | 179.4 | -76.3 | 169.6 | 174.2 | 157 | 0 | 113.4 | N1696 M1697 L1702 S1703 E1764 Y1766 | N1696-K1700 PolarHBondContact ND2-NZ 2.54Å; N1696-K1700 WeakPolarHBondContact O-CB 3.25Å; N1696-K1700 WeakPolarHBondContact O-CG 3.35Å; N1696-K1700 PolarHBondContact O-N 3.08Å; N1696-K1700 WeakPolarHBondContact OD1-CD 3.37Å; N1696-K1700 WeakPolarHBondContact OD1-CE 3.38Å; N1696-K1700 PolarHBondContact OD1-NZ 3.37Å; M1697-K1700 PolarHBondContact O-N 2.04Å; K1700-L1702 PolarHBondContact O-N 2.77Å; K1700-S1703 VanDerWaalsContact O-CB 3.24Å; K1700-S1703 WeakPolarHBondContact O-CB 3.12Å; K1700-S1703 PolarHBondContact O-N 2.91Å; K1700-S1703 PolarHBondContact O-OG 3.39Å; K1700-S1703 VanDerWaalsContact O-OG 3.1Å; K1700-E1764 WeakPolarHBondContact CE-O 3.31Å; K1700-E1764 PolarHBondContact NZ-O 2.91Å; K1700-Y1766 HydrophobicContact CG-CE2 4.38Å |
| 1701 | N | 87.4 | Confident | 86.8 | Confident | 134 Ų | 134 | 46.3 Ų | 46.3 | 72% | 0.717 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.8 | 172.9 | -73.9 | -17.8 | 0 | 0 | 0 | 114.3 | M1697 C1699 | M1697-N1701 VanDerWaalsContact O-CB 3.3Å; M1697-N1701 WeakPolarHBondContact O-CB 3.42Å; M1697-N1701 PolarHBondContact O-N 2.71Å; M1697-N1701 PolarHBondContact O-ND2 3.08Å; C1699-N1701 PolarHBondContact O-N 3.43Å |
| 1702 | L | 87.4 | Confident | 86.7 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.1 | 170.1 | -62.9 | 179 | 0 | 0 | 0 | 113 | F1657 F1684 C1699 K1700 V1709 | F1657-L1702 HydrophobicContact CZ-CD1 4.23Å; F1684-L1702 HydrophobicContact CD2-CD1 3.78Å; F1684-L1702 HydrophobicContact CD2-CG 4.39Å; F1684-L1702 HydrophobicContact CE2-CD1 3.98Å; F1684-L1702 HydrophobicContact CE2-CD2 4.35Å; F1684-L1702 HydrophobicContact CE2-CG 4.1Å; C1699-L1702 WeakPolarHBondContact O-CB 3.39Å; C1699-L1702 PolarHBondContact O-N 2.88Å; K1700-L1702 PolarHBondContact O-N 2.77Å; L1702-V1709 HydrophobicContact CB-CB 4.12Å; L1702-V1709 HydrophobicContact CB-CG1 4.04Å; L1702-V1709 HydrophobicContact CB-CG2 3.99Å; L1702-V1709 WeakPolarHBondContact O-CG2 3.47Å |
| 1703 | S | 86.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | trans | -60.8 | 145.8 | 173.7 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | K1700 V1709 Y1766 | K1700-S1703 VanDerWaalsContact O-CB 3.24Å; K1700-S1703 WeakPolarHBondContact O-CB 3.12Å; K1700-S1703 PolarHBondContact O-N 2.91Å; K1700-S1703 PolarHBondContact O-OG 3.39Å; K1700-S1703 VanDerWaalsContact O-OG 3.1Å; S1703-V1709 PolarHBondContact OG-N 3.1Å; S1703-V1709 PolarHBondContact OG-O 3.27Å; S1703-Y1766 PolarHBondContact OG-OH 3.18Å | ||
| 1704 | T | 81.2 | Confident | 86.4 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -128.5 | 167.4 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 110.1 | T1706 Y1707 | T1704-T1706 PolarHBondContact O-N 2.04Å; T1704-T1706 PolarHBondContact OG1-N 3.13Å; T1704-T1706 PolarHBondContact OG1-OG1 2.87Å; T1704-Y1707 HydrophobicContact CG2-CE1 4.02Å; T1704-Y1707 HydrophobicContact CG2-CE2 4.12Å; T1704-Y1707 PolarHBondContact N-O 3.19Å; T1704-Y1707 CarbonylContact O-C 3.18Å; T1704-Y1707 PolarHBondContact O-N 3.36Å; T1704-Y1707 VanDerWaalsContact O-O 3.05Å; T1704-Y1707 VanDerWaalsContact OG1-CD1 3.24Å; T1704-Y1707 WeakPolarHBondContact OG1-CD1 3.34Å; T1704-Y1707 WeakPolarHBondContact OG1-CE1 3.39Å; T1704-Y1707 PolarHBondContact OG1-N 3.01Å |
| 1705 | P | 76.4 | Confident | 85.7 | Confident | 146 Ų | 146 | 44.1 Ų | 44.1 | 95% | 0.948 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -8.7 | 176.2 | -25.3 | 35.9 | 0 | 0 | 0 | 115.5 | ||
| 1706 | T | 71.3 | Confident | 85.1 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 65% | 0.65 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -16.4 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | T1704 | T1704-T1706 PolarHBondContact O-N 2.04Å; T1704-T1706 PolarHBondContact OG1-N 3.13Å; T1704-T1706 PolarHBondContact OG1-OG1 2.87Å |
| 1707 | Y | 80 | Confident | 84.5 | Confident | 54 Ų | 54 | 45 Ų | 45 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -155.9 | 138.8 | 175 | 58.6 | -89.9 | 0 | 0 | 0 | 112.3 | P1654 T1704 V1709 T1826 L1829 | P1654-Y1707 HydrophobicContact CB-CD1 4.45Å; P1654-Y1707 HydrophobicContact CB-CD2 4.45Å; P1654-Y1707 HydrophobicContact CB-CE1 3.82Å; P1654-Y1707 HydrophobicContact CB-CE2 3.83Å; P1654-Y1707 VanDerWaalsContact CB-CZ 3.48Å; P1654-Y1707 HydrophobicContact CG-CD1 3.87Å; P1654-Y1707 HydrophobicContact CG-CD2 3.86Å; P1654-Y1707 HydrophobicContact CG-CE1 3.75Å; P1654-Y1707 HydrophobicContact CG-CE2 3.74Å; P1654-Y1707 HydrophobicContact CG-CG 3.94Å; T1704-Y1707 HydrophobicContact CG2-CE1 4.02Å; T1704-Y1707 HydrophobicContact CG2-CE2 4.12Å; T1704-Y1707 PolarHBondContact N-O 3.19Å; T1704-Y1707 CarbonylContact O-C 3.18Å; T1704-Y1707 PolarHBondContact O-N 3.36Å; T1704-Y1707 VanDerWaalsContact O-O 3.05Å; T1704-Y1707 VanDerWaalsContact OG1-CD1 3.24Å; T1704-Y1707 WeakPolarHBondContact OG1-CD1 3.34Å; T1704-Y1707 WeakPolarHBondContact OG1-CE1 3.39Å; T1704-Y1707 PolarHBondContact OG1-N 3.01Å; Y1707-V1709 HydrophobicContact CD2-CG2 3.88Å; Y1707-V1709 HydrophobicContact CE2-CG2 3.88Å; Y1707-T1826 HydrophobicContact CD2-CG2 4.38Å; Y1707-L1829 HydrophobicContact CD1-CD1 4.19Å |
| 1708 | N | 84.7 | Confident | 84.3 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | trans | -88 | 140.2 | 174.9 | -72.7 | -20.4 | 0 | 0 | 0 | 110.6 | Y1766 T1826 | N1708-Y1766 HydrophobicContact CB-CD2 3.71Å; N1708-Y1766 HydrophobicContact CB-CE2 3.66Å; N1708-Y1766 HydrophobicContact CB-CG 4.44Å; N1708-T1826 WeakPolarHBondContact O-CB 3.37Å; N1708-T1826 PolarHBondContact O-OG1 3.02Å | ||
| 1709 | V | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.7 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | F1657 C1699 L1702 S1703 Y1707 C1824 Q1825 | F1657-V1709 HydrophobicContact CE1-CG1 4.1Å; F1657-V1709 HydrophobicContact CZ-CG1 3.83Å; F1657-V1709 HydrophobicContact CZ-CG2 3.95Å; C1699-V1709 HydrophobicContact CB-CG1 4.25Å; C1699-V1709 WeakPolarHBondContact O-CB 3.42Å; C1699-V1709 VanDerWaalsContact O-CG1 3.28Å; C1699-V1709 WeakPolarHBondContact O-CG1 3.43Å; L1702-V1709 HydrophobicContact CB-CB 4.12Å; L1702-V1709 HydrophobicContact CB-CG1 4.04Å; L1702-V1709 HydrophobicContact CB-CG2 3.99Å; L1702-V1709 WeakPolarHBondContact O-CG2 3.47Å; S1703-V1709 PolarHBondContact OG-N 3.1Å; S1703-V1709 PolarHBondContact OG-O 3.27Å; Y1707-V1709 HydrophobicContact CD2-CG2 3.88Å; Y1707-V1709 HydrophobicContact CE2-CG2 3.88Å; V1709-C1824 HydrophobicContact CG1-CB 3.83Å; V1709-Q1825 WeakPolarHBondContact CA-O 3.45Å; V1709-Q1825 WeakPolarHBondContact CG1-O 3.49Å |
| 1710 | S | 89.9 | Confident | 84 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 171.1 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | C1699 C1824 Q1825 | C1699-S1710 VanDerWaalsContact CB-C 3.49Å; S1710-C1824 CarbonylContact O-C 3.52Å; S1710-C1824 VanDerWaalsContact O-CA 3.23Å; S1710-C1824 WeakPolarHBondContact O-CA 3.47Å; S1710-Q1825 PolarHBondContact N-O 3.19Å; S1710-Q1825 PolarHBondContact O-N 3.46Å; S1710-Q1825 VanDerWaalsContact OG-CG 3.24Å; S1710-Q1825 WeakPolarHBondContact OG-CG 3.5Å; S1710-Q1825 PolarHBondContact OG-NE2 3.14Å; S1710-Q1825 VanDerWaalsContact OG-NE2 3.07Å |
| 1711 | L | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 162.1 | 155.8 | -85.6 | 170.8 | 0 | 0 | 0 | 110.6 | W1692 A1695 N1696 T1713 W1745 A1747 V1822 Q1825 | W1692-L1711 HydrophobicContact CZ2-CD1 4.33Å; A1695-L1711 HydrophobicContact CB-CD1 4.28Å; A1695-L1711 HydrophobicContact CB-CD2 4.02Å; N1696-L1711 HydrophobicContact CB-CD1 3.69Å; N1696-L1711 HydrophobicContact CB-CG 4.49Å; L1711-T1713 PolarHBondContact O-N 2.95Å; L1711-W1745 HydrophobicContact CD2-CB 4.08Å; L1711-A1747 HydrophobicContact CB-CB 3.67Å; L1711-V1822 HydrophobicContact CD2-CG1 3.9Å; L1711-Q1825 WeakPolarHBondContact O-CG 3.28Å |
| 1712 | L | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -55.7 | 122.3 | 179.3 | -174.6 | 65.2 | 0 | 0 | 0 | 113 | Y1681 I1714 L1723 V1744 T1746 A1747 F1790 A1823 | Y1681-L1712 HydrophobicContact CD1-CD1 3.81Å; Y1681-L1712 HydrophobicContact CE1-CD1 3.82Å; L1712-I1714 HydrophobicContact CG-CG1 4.39Å; L1712-L1723 HydrophobicContact CD1-CD1 3.79Å; L1712-L1723 HydrophobicContact CD1-CD2 3.66Å; L1712-L1723 HydrophobicContact CD1-CG 4.39Å; L1712-L1723 HydrophobicContact CD2-CD1 4.15Å; L1712-L1723 HydrophobicContact CD2-CD2 4.28Å; L1712-L1723 HydrophobicContact CG-CD1 4.3Å; L1712-V1744 HydrophobicContact CD2-CG2 4.02Å; L1712-T1746 CarbonylContact O-C 3.49Å; L1712-T1746 WeakPolarHBondContact O-CA 3.25Å; L1712-T1746 WeakPolarHBondContact O-CB 3.44Å; L1712-A1747 PolarHBondContact O-N 3.2Å; L1712-F1790 HydrophobicContact CD2-CB 4.38Å; L1712-A1823 HydrophobicContact CB-CB 4.41Å; L1712-A1823 HydrophobicContact CD2-CB 4.45Å; L1712-A1823 PolarHBondContact N-O 3.3Å |
| 1713 | T | 87.4 | Confident | 84 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | trans | -106.2 | 158.7 | 164.2 | 64.2 | 0 | 0 | 0 | 0 | 109 | L1711 A1747 W1763 T1765 Q1825 | L1711-T1713 PolarHBondContact O-N 2.95Å; T1713-A1747 HydrophobicContact CG2-CB 4.01Å; T1713-W1763 HydrophobicContact CG2-CB 3.57Å; T1713-W1763 HydrophobicContact CG2-CD2 3.63Å; T1713-W1763 HydrophobicContact CG2-CE3 3.89Å; T1713-W1763 HydrophobicContact CG2-CG 3.49Å; T1713-W1763 VanDerWaalsContact CG2-CG 3.49Å; T1713-T1765 HydrophobicContact CG2-CG2 3.67Å; T1713-Q1825 VanDerWaalsContact N-CD 3.33Å; T1713-Q1825 PolarHBondContact O-OE1 3.42Å; T1713-Q1825 PolarHBondContact OG1-NE2 2.87Å; T1713-Q1825 PolarHBondContact OG1-OE1 3.28Å | ||
| 1714 | I | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -131.7 | 116.3 | 175.9 | -50.3 | -178.5 | 0 | 0 | 0 | 108.7 | L1712 E1719 A1720 L1723 W1763 Y1773 F1790 I1810 | L1712-I1714 HydrophobicContact CG-CG1 4.39Å; I1714-E1719 HydrophobicContact CG2-CB 4.36Å; I1714-E1719 HydrophobicContact CG2-CG 4.22Å; I1714-A1720 HydrophobicContact CG2-CB 3.97Å; I1714-L1723 HydrophobicContact CD1-CD1 3.99Å; I1714-L1723 HydrophobicContact CG1-CD1 3.92Å; I1714-W1763 HydrophobicContact CB-CH2 4.16Å; I1714-W1763 HydrophobicContact CB-CZ2 4.31Å; I1714-W1763 HydrophobicContact CG1-CH2 4.38Å; I1714-W1763 VanDerWaalsContact N-CZ2 3.25Å; I1714-W1763 WeakPolarHBondContact O-CZ2 3.43Å; I1714-Y1773 HydrophobicContact CB-CD1 4.04Å; I1714-Y1773 HydrophobicContact CG2-CD1 3.34Å; I1714-Y1773 HydrophobicContact CG2-CE1 3.79Å; I1714-Y1773 HydrophobicContact CG2-CG 4.14Å; I1714-F1790 HydrophobicContact CD1-CD2 3.29Å; I1714-F1790 HydrophobicContact CD1-CE2 3.47Å; I1714-F1790 VanDerWaalsContact CD1-CE2 3.47Å; I1714-F1790 HydrophobicContact CD1-CG 4.06Å; I1714-F1790 HydrophobicContact CD1-CZ 4.37Å; I1714-I1810 HydrophobicContact CD1-CD1 4.1Å; I1714-I1810 HydrophobicContact CD1-CG1 4.23Å | ||
| 1715 | A | 75.2 | Confident | 84.4 | Confident | 63 Ų | 63 | 26.6 Ų | 26.6 | 52% | 0.521 | 16% | 0.161 | S | C | . | . | trans | -96.6 | -22.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1719 | A1715-E1719 WeakPolarHBondContact CB-OE2 3.44Å; A1715-E1719 PolarHBondContact N-OE2 3.41Å | ||
| 1716 | S | 76.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 20.2 Ų | 20.2 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -152.8 | 163.9 | -178.1 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | F1718 E1719 A1720 | S1716-F1718 PolarHBondContact O-N 3.15Å; S1716-F1718 PolarHBondContact OG-N 3.25Å; S1716-E1719 PolarHBondContact O-N 3.23Å; S1716-E1719 PolarHBondContact OG-N 2.67Å; S1716-A1720 PolarHBondContact O-N 2.89Å |
| 1717 | V | 78.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.4 | -34.1 | 169.7 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | S1603 P1606 N1609 A1720 S1721 Y1773 | S1603-V1717 WeakPolarHBondContact O-CG1 3.3Å; P1606-V1717 HydrophobicContact CB-CG2 4.24Å; N1609-V1717 HydrophobicContact CB-CG1 4.37Å; N1609-V1717 HydrophobicContact CB-CG2 3.78Å; V1717-A1720 PolarHBondContact O-N 2.89Å; V1717-S1721 WeakPolarHBondContact O-CB 3.49Å; V1717-S1721 PolarHBondContact O-N 3.1Å; V1717-S1721 PolarHBondContact O-OG 2.84Å; V1717-Y1773 HydrophobicContact CB-CD2 4.41Å; V1717-Y1773 HydrophobicContact CB-CE2 3.7Å; V1717-Y1773 HydrophobicContact CG2-CE2 4.42Å |
| 1718 | F | 83.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.9 | -42.7 | -179.7 | -46.8 | -65.4 | 0 | 0 | 0 | 110.8 | A1525 S1526 L1528 D1529 R1602 S1603 N1609 T1662 S1716 S1721 F1722 | A1525-F1718 WeakPolarHBondContact O-CD1 3.29Å; S1526-F1718 VanDerWaalsContact CB-O 3.29Å; S1526-F1718 WeakPolarHBondContact CB-O 3.47Å; L1528-F1718 HydrophobicContact CB-CD1 4.17Å; L1528-F1718 HydrophobicContact CB-CE1 3.96Å; D1529-F1718 HydrophobicContact CB-CB 3.74Å; D1529-F1718 HydrophobicContact CB-CD1 4.45Å; D1529-F1718 HydrophobicContact CB-CD2 3.78Å; D1529-F1718 HydrophobicContact CB-CG 3.73Å; D1529-F1718 WeakPolarHBondContact OD1-CD2 3.38Å; R1602-F1718 HydrophobicContact CG-CE1 4.05Å; R1602-F1718 HydrophobicContact CG-CZ 3.89Å; S1603-F1718 WeakPolarHBondContact O-CZ 3.47Å; N1609-F1718 WeakPolarHBondContact OD1-CE1 3.31Å; T1662-F1718 HydrophobicContact CG2-CB 4.06Å; S1716-F1718 PolarHBondContact O-N 3.15Å; S1716-F1718 PolarHBondContact OG-N 3.25Å; F1718-S1721 PolarHBondContact O-N 3.1Å; F1718-F1722 PolarHBondContact O-N 3.41Å |
| 1719 | E | 84.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.033 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.2 | 177.3 | 168.3 | -147.3 | 0 | 0 | 111.7 | T1662 Y1681 I1714 A1715 S1716 S1721 F1722 L1723 | T1662-E1719 HydrophobicContact CG2-CB 4.33Å; Y1681-E1719 VanDerWaalsContact OH-CD 3.31Å; Y1681-E1719 WeakPolarHBondContact OH-CG 3.26Å; Y1681-E1719 PolarHBondContact OH-OE1 3.19Å; I1714-E1719 HydrophobicContact CG2-CB 4.36Å; I1714-E1719 HydrophobicContact CG2-CG 4.22Å; A1715-E1719 WeakPolarHBondContact CB-OE2 3.44Å; A1715-E1719 PolarHBondContact N-OE2 3.41Å; S1716-E1719 PolarHBondContact O-N 3.23Å; S1716-E1719 PolarHBondContact OG-N 2.67Å; E1719-S1721 VanDerWaalsContact C-N 3.33Å; E1719-S1721 PolarHBondContact O-N 3.4Å; E1719-F1722 WeakPolarHBondContact O-CB 3.33Å; E1719-F1722 PolarHBondContact O-N 3.45Å; E1719-L1723 HydrophobicContact CG-CD1 3.73Å; E1719-L1723 HydrophobicContact CG-CG 4.42Å; E1719-L1723 WeakPolarHBondContact O-CD1 3.43Å; E1719-L1723 VanDerWaalsContact O-CG 3.24Å; E1719-L1723 WeakPolarHBondContact O-CG 3.41Å; E1719-L1723 PolarHBondContact O-N 3.35Å |
| 1720 | A | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1714 S1716 V1717 F1722 L1723 R1724 Y1773 F1790 | I1714-A1720 HydrophobicContact CG2-CB 3.97Å; S1716-A1720 PolarHBondContact O-N 2.89Å; V1717-A1720 PolarHBondContact O-N 2.89Å; A1720-F1722 VanDerWaalsContact C-N 3.32Å; A1720-F1722 PolarHBondContact O-N 2.63Å; A1720-L1723 PolarHBondContact O-N 2.86Å; A1720-L1723 VanDerWaalsContact O-N 3.15Å; A1720-R1724 WeakPolarHBondContact O-CG 3.4Å; A1720-R1724 PolarHBondContact O-N 2.86Å; A1720-Y1773 HydrophobicContact CB-CD1 4.34Å; A1720-Y1773 HydrophobicContact CB-CE1 3.39Å; A1720-Y1773 VanDerWaalsContact CB-OH 3.28Å; A1720-Y1773 WeakPolarHBondContact CB-OH 3.43Å; A1720-F1790 HydrophobicContact CB-CE2 4.3Å |
| 1721 | S | 86.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 179.2 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | Q1522 V1717 F1718 E1719 | Q1522-S1721 WeakPolarHBondContact O-CB 3.14Å; V1717-S1721 WeakPolarHBondContact O-CB 3.49Å; V1717-S1721 PolarHBondContact O-N 3.1Å; V1717-S1721 PolarHBondContact O-OG 2.84Å; F1718-S1721 PolarHBondContact O-N 3.1Å; E1719-S1721 VanDerWaalsContact C-N 3.33Å; E1719-S1721 PolarHBondContact O-N 3.4Å |
| 1722 | F | 87.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 170.8 | 171.8 | -102.5 | 0 | 0 | 0 | 111.7 | S1526 T1661 Y1681 F1718 E1719 A1720 V1725 W1726 | S1526-F1722 VanDerWaalsContact CB-N 3.31Å; T1661-F1722 HydrophobicContact CG2-CD2 3.69Å; T1661-F1722 HydrophobicContact CG2-CE2 4.02Å; Y1681-F1722 HydrophobicContact CD2-CD1 4.45Å; Y1681-F1722 AromaticContact CD2-CE1 3.65Å; Y1681-F1722 HydrophobicContact CD2-CE1 3.65Å; Y1681-F1722 HydrophobicContact CD2-CZ 4.5Å; Y1681-F1722 HydrophobicContact CE2-CD1 4.05Å; Y1681-F1722 AromaticContact CE2-CE1 3.64Å; Y1681-F1722 HydrophobicContact CE2-CE1 3.64Å; F1718-F1722 PolarHBondContact O-N 3.41Å; E1719-F1722 WeakPolarHBondContact O-CB 3.33Å; E1719-F1722 PolarHBondContact O-N 3.45Å; A1720-F1722 VanDerWaalsContact C-N 3.32Å; A1720-F1722 PolarHBondContact O-N 2.63Å; F1722-V1725 PolarHBondContact O-N 2.86Å; F1722-W1726 HydrophobicContact CD1-CB 4.29Å; F1722-W1726 HydrophobicContact CE1-CB 3.82Å; F1722-W1726 HydrophobicContact CE1-CD2 4.46Å; F1722-W1726 AromaticContact CE1-CG 3.94Å; F1722-W1726 HydrophobicContact CE1-CG 3.94Å; F1722-W1726 HydrophobicContact CE2-CB 4.1Å; F1722-W1726 HydrophobicContact CE2-CG 4.49Å; F1722-W1726 HydrophobicContact CZ-CB 3.72Å; F1722-W1726 AromaticContact CZ-CD1 3.84Å; F1722-W1726 AromaticContact CZ-CG 3.75Å; F1722-W1726 HydrophobicContact CZ-CG 3.75Å; F1722-W1726 WeakPolarHBondContact O-CB 3.3Å; F1722-W1726 PolarHBondContact O-N 3.32Å |
| 1723 | L | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | -175.3 | -71 | 161.7 | 0 | 0 | 0 | 113.1 | Y1681 L1712 I1714 E1719 A1720 V1725 W1726 L1727 F1790 | Y1681-L1723 HydrophobicContact CD1-CD2 3.99Å; Y1681-L1723 HydrophobicContact CE1-CD2 4Å; Y1681-L1723 HydrophobicContact CG-CD2 4.44Å; L1712-L1723 HydrophobicContact CD1-CD1 3.79Å; L1712-L1723 HydrophobicContact CD1-CD2 3.66Å; L1712-L1723 HydrophobicContact CD1-CG 4.39Å; L1712-L1723 HydrophobicContact CD2-CD1 4.15Å; L1712-L1723 HydrophobicContact CD2-CD2 4.28Å; L1712-L1723 HydrophobicContact CG-CD1 4.3Å; I1714-L1723 HydrophobicContact CD1-CD1 3.99Å; I1714-L1723 HydrophobicContact CG1-CD1 3.92Å; E1719-L1723 HydrophobicContact CG-CD1 3.73Å; E1719-L1723 HydrophobicContact CG-CG 4.42Å; E1719-L1723 WeakPolarHBondContact O-CD1 3.43Å; E1719-L1723 VanDerWaalsContact O-CG 3.24Å; E1719-L1723 WeakPolarHBondContact O-CG 3.41Å; E1719-L1723 PolarHBondContact O-N 3.35Å; A1720-L1723 PolarHBondContact O-N 2.86Å; A1720-L1723 VanDerWaalsContact O-N 3.15Å; L1723-V1725 PolarHBondContact O-N 3.11Å; L1723-W1726 HydrophobicContact CD2-CE3 4.34Å; L1723-W1726 PolarHBondContact O-N 2.82Å; L1723-L1727 WeakPolarHBondContact O-CB 3.46Å; L1723-L1727 VanDerWaalsContact O-CG 3.29Å; L1723-L1727 WeakPolarHBondContact O-CG 3.35Å; L1723-L1727 PolarHBondContact O-N 3Å; L1723-L1727 VanDerWaalsContact O-N 3.13Å; L1723-F1790 HydrophobicContact CB-CD1 4.41Å; L1723-F1790 HydrophobicContact CB-CE1 3.55Å; L1723-F1790 HydrophobicContact CB-CZ 3.69Å |
| 1724 | R | 87.5 | Confident | 80.5 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.6 | -37 | 173.7 | -67.8 | 178.4 | -164.8 | 118 | 1.8 | 111.5 | A1720 Y1773 D1775 F1790 S1809 | A1720-R1724 WeakPolarHBondContact O-CG 3.4Å; A1720-R1724 PolarHBondContact O-N 2.86Å; R1724-Y1773 PolarHBondContact NH2-OH 2.78Å; R1724-D1775 IonicContact CZ-OD2 2.74Å; R1724-D1775 IonicContact NH2-OD2 3.62Å; R1724-D1775 PolarHBondContact NH2-OD2 2.92Å; R1724-F1790 HydrophobicContact CG-CE1 4.16Å; R1724-F1790 HydrophobicContact CG-CZ 3.74Å; R1724-S1809 PolarHBondContact NE-OG 2.78Å; R1724-S1809 PolarHBondContact NH2-OG 2.93Å |
| 1725 | V | 86.9 | Confident | 80 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -82.9 | -49.8 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 112.6 | H1477 L1519 Q1522 F1523 F1722 L1723 L1727 N1728 Q1729 | H1477-V1725 WeakPolarHBondContact CE1-CG1 3.48Å; H1477-V1725 WeakPolarHBondContact ND1-CG1 3.39Å; L1519-V1725 HydrophobicContact CD2-CG2 4.46Å; L1519-V1725 VanDerWaalsContact O-CG2 3.3Å; L1519-V1725 WeakPolarHBondContact O-CG2 3.44Å; Q1522-V1725 HydrophobicContact CB-CG2 3.59Å; F1523-V1725 HydrophobicContact CB-CG1 4.27Å; F1523-V1725 HydrophobicContact CB-CG2 4.13Å; F1523-V1725 HydrophobicContact CD2-CG1 3.95Å; F1523-V1725 HydrophobicContact CG-CG1 4.49Å; F1722-V1725 PolarHBondContact O-N 2.86Å; L1723-V1725 PolarHBondContact O-N 3.11Å; V1725-L1727 VanDerWaalsContact C-N 3.32Å; V1725-L1727 PolarHBondContact O-N 2.78Å; V1725-N1728 PolarHBondContact O-N 3.34Å; V1725-N1728 VanDerWaalsContact O-N 3.11Å; V1725-Q1729 PolarHBondContact O-N 2.98Å |
| 1726 | W | 87.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -36.2 | -172.8 | 174.4 | 76.1 | 0 | 0 | 0 | 112.4 | V1683 F1722 L1723 N1728 S1734 G1735 G1736 | V1683-W1726 HydrophobicContact CG2-CH2 3.96Å; V1683-W1726 HydrophobicContact CG2-CZ3 4.26Å; F1722-W1726 HydrophobicContact CD1-CB 4.29Å; F1722-W1726 HydrophobicContact CE1-CB 3.82Å; F1722-W1726 HydrophobicContact CE1-CD2 4.46Å; F1722-W1726 AromaticContact CE1-CG 3.94Å; F1722-W1726 HydrophobicContact CE1-CG 3.94Å; F1722-W1726 HydrophobicContact CE2-CB 4.1Å; F1722-W1726 HydrophobicContact CE2-CG 4.49Å; F1722-W1726 HydrophobicContact CZ-CB 3.72Å; F1722-W1726 AromaticContact CZ-CD1 3.84Å; F1722-W1726 AromaticContact CZ-CG 3.75Å; F1722-W1726 HydrophobicContact CZ-CG 3.75Å; F1722-W1726 WeakPolarHBondContact O-CB 3.3Å; F1722-W1726 PolarHBondContact O-N 3.32Å; L1723-W1726 HydrophobicContact CD2-CE3 4.34Å; L1723-W1726 PolarHBondContact O-N 2.82Å; W1726-N1728 VanDerWaalsContact C-N 3.32Å; W1726-N1728 PolarHBondContact O-N 3.37Å; W1726-S1734 PolarHBondContact NE1-O 3.26Å; W1726-G1735 WeakPolarHBondContact O-CA 3.38Å; W1726-G1736 PolarHBondContact O-N 3.34Å |
| 1727 | L | 88.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 174.8 | -69.4 | 172.8 | 0 | 0 | 0 | 112.1 | V1683 L1723 V1725 G1737 L1738 V1744 F1790 Q1792 A1823 | V1683-L1727 HydrophobicContact CG2-CD2 4.38Å; L1723-L1727 WeakPolarHBondContact O-CB 3.46Å; L1723-L1727 VanDerWaalsContact O-CG 3.29Å; L1723-L1727 WeakPolarHBondContact O-CG 3.35Å; L1723-L1727 PolarHBondContact O-N 3Å; L1723-L1727 VanDerWaalsContact O-N 3.13Å; V1725-L1727 VanDerWaalsContact C-N 3.32Å; V1725-L1727 PolarHBondContact O-N 2.78Å; L1727-G1737 PolarHBondContact O-N 3.31Å; L1727-G1737 VanDerWaalsContact O-N 3.12Å; L1727-L1738 HydrophobicContact CD2-CD1 4.25Å; L1727-L1738 PolarHBondContact O-N 2.98Å; L1727-V1744 HydrophobicContact CD1-CG1 4.24Å; L1727-V1744 HydrophobicContact CD1-CG2 3.73Å; L1727-V1744 HydrophobicContact CD2-CG1 3.93Å; L1727-V1744 HydrophobicContact CD2-CG2 4.36Å; L1727-F1790 HydrophobicContact CD1-CD1 3.71Å; L1727-F1790 HydrophobicContact CD1-CE1 3.97Å; L1727-Q1792 HydrophobicContact CB-CG 3.84Å; L1727-Q1792 HydrophobicContact CD1-CG 4.04Å; L1727-A1823 HydrophobicContact CD2-CB 4.46Å |
| 1728 | N | 83.8 | Confident | 80.6 | Confident | 43 Ų | 43 | 25.3 Ų | 25.3 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.4 | -35.1 | -179.1 | -166.1 | -110.3 | 0 | 0 | 0 | 113.3 | L1519 V1725 W1726 L1738 I1740 Q1792 | L1519-N1728 WeakPolarHBondContact CD1-OD1 3.28Å; V1725-N1728 PolarHBondContact O-N 3.34Å; V1725-N1728 VanDerWaalsContact O-N 3.11Å; W1726-N1728 VanDerWaalsContact C-N 3.32Å; W1726-N1728 PolarHBondContact O-N 3.37Å; N1728-L1738 PolarHBondContact ND2-O 3.36Å; N1728-I1740 PolarHBondContact ND2-N 3.36Å; N1728-Q1792 VanDerWaalsContact CA-OE1 3.3Å; N1728-Q1792 VanDerWaalsContact CB-OE1 3.26Å; N1728-Q1792 PolarHBondContact ND2-OE1 3.03Å |
| 1729 | Q | 79.3 | Confident | 80.3 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -57.5 | 136.7 | -174.7 | -178.4 | 154.7 | -53 | 0 | 0 | 111.7 | H1477 V1725 A1733 G1735 G1736 G1737 | H1477-Q1729 PolarHBondContact ND1-OE1 3.19Å; V1725-Q1729 PolarHBondContact O-N 2.98Å; Q1729-A1733 HydrophobicContact CG-CB 3.77Å; Q1729-A1733 PolarHBondContact NE2-O 3.25Å; Q1729-G1735 CarbonylContact O-C 3.49Å; Q1729-G1735 VanDerWaalsContact O-CA 3.27Å; Q1729-G1735 WeakPolarHBondContact O-CA 3.16Å; Q1729-G1736 PolarHBondContact O-N 3.06Å; Q1729-G1737 WeakPolarHBondContact O-CA 3.02Å; Q1729-G1737 PolarHBondContact O-N 3.44Å |
| 1730 | P | 75 | Confident | 79.9 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | trans | -55.8 | 152.4 | 178 | -29.8 | 36.7 | 0 | 0 | 0 | 114.1 | D1732 A1733 G1735 | P1730-D1732 PolarHBondContact O-N 3.35Å; P1730-A1733 HydrophobicContact CB-CB 4.44Å; P1730-A1733 CarbonylContact O-C 3.47Å; P1730-A1733 WeakPolarHBondContact O-CA 3.5Å; P1730-A1733 WeakPolarHBondContact O-CB 3.45Å; P1730-A1733 PolarHBondContact O-N 3.41Å; P1730-A1733 VanDerWaalsContact O-N 3.09Å; P1730-G1735 WeakPolarHBondContact O-CA 3.41Å; P1730-G1735 PolarHBondContact O-N 3.19Å | ||
| 1731 | R | 68.3 | Low | 79.2 | Confident | 104 Ų | 104 | 37 Ų | 37 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -66.7 | -36.5 | -175.9 | -76.2 | 168 | 152.3 | -123.7 | -26.3 | 113.8 | H1686 A1733 S1734 G1736 | H1686-R1731 PolarHBondContact CD2-NH1 3.03Å; H1686-R1731 VanDerWaalsContact CD2-NH1 3.28Å; H1686-R1731 PolarHBondContact CE1-NH1 3.02Å; H1686-R1731 VanDerWaalsContact CG-CZ 3.44Å; H1686-R1731 PolarHBondContact ND1-NH1 3.09Å; H1686-R1731 PolarHBondContact NE2-NH1 3.04Å; R1731-A1733 PolarHBondContact O-N 2.9Å; R1731-S1734 WeakPolarHBondContact O-CA 3.33Å; R1731-S1734 PolarHBondContact O-N 2.84Å; R1731-G1736 PolarHBondContact NE-O 3.37Å |
| 1732 | D | 63.9 | Low | 79 | Confident | 126 Ų | 126 | 39 Ų | 39 | 67% | 0.674 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -69.9 | -17.7 | 176.8 | -47.3 | -48.4 | 0 | 0 | 0 | 111.7 | Y1467 P1730 S1734 | Y1467-D1732 HydrophobicContact CD2-CB 3.96Å; Y1467-D1732 HydrophobicContact CE2-CB 3.25Å; P1730-D1732 PolarHBondContact O-N 3.35Å; D1732-S1734 VanDerWaalsContact C-N 3.34Å |
| 1733 | A | 64.3 | Low | 79 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -92.7 | 19.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1467 F1476 Q1729 P1730 R1731 G1735 | Y1467-A1733 HydrophobicContact CD1-CB 3.83Å; Y1467-A1733 HydrophobicContact CE1-CB 3.73Å; F1476-A1733 HydrophobicContact CD1-CB 4.05Å; F1476-A1733 HydrophobicContact CE1-CB 3.66Å; Q1729-A1733 HydrophobicContact CG-CB 3.77Å; Q1729-A1733 PolarHBondContact NE2-O 3.25Å; P1730-A1733 HydrophobicContact CB-CB 4.44Å; P1730-A1733 CarbonylContact O-C 3.47Å; P1730-A1733 WeakPolarHBondContact O-CA 3.5Å; P1730-A1733 WeakPolarHBondContact O-CB 3.45Å; P1730-A1733 PolarHBondContact O-N 3.41Å; P1730-A1733 VanDerWaalsContact O-N 3.09Å; R1731-A1733 PolarHBondContact O-N 2.9Å; A1733-G1735 PolarHBondContact O-N 3.43Å |
| 1734 | S | 68.2 | Low | 79 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.3 | -174.8 | -56.7 | 0 | 0 | 0 | 0 | 115.8 | W1726 R1731 D1732 | W1726-S1734 PolarHBondContact NE1-O 3.26Å; R1731-S1734 WeakPolarHBondContact O-CA 3.33Å; R1731-S1734 PolarHBondContact O-N 2.84Å; D1732-S1734 VanDerWaalsContact C-N 3.34Å |
| 1735 | G | 77.1 | Confident | 79.3 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.8 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1726 Q1729 P1730 A1733 | W1726-G1735 WeakPolarHBondContact O-CA 3.38Å; Q1729-G1735 CarbonylContact O-C 3.49Å; Q1729-G1735 VanDerWaalsContact O-CA 3.27Å; Q1729-G1735 WeakPolarHBondContact O-CA 3.16Å; P1730-G1735 WeakPolarHBondContact O-CA 3.41Å; P1730-G1735 PolarHBondContact O-N 3.19Å; A1733-G1735 PolarHBondContact O-N 3.43Å |
| 1736 | G | 79.8 | Confident | 79.6 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -72.3 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1726 Q1729 R1731 | W1726-G1736 PolarHBondContact O-N 3.34Å; Q1729-G1736 PolarHBondContact O-N 3.06Å; R1731-G1736 PolarHBondContact NE-O 3.37Å | ||
| 1737 | G | 78.1 | Confident | 79.8 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | trans | 74.8 | 41.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1727 Q1729 | L1727-G1737 PolarHBondContact O-N 3.31Å; L1727-G1737 VanDerWaalsContact O-N 3.12Å; Q1729-G1737 WeakPolarHBondContact O-CA 3.02Å; Q1729-G1737 PolarHBondContact O-N 3.44Å | ||
| 1738 | L | 83.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | trans | -102.5 | 143.2 | 174.9 | -60.4 | -177.4 | 0 | 0 | 0 | 111.7 | L1727 N1728 V1744 F1821 | L1727-L1738 HydrophobicContact CD2-CD1 4.25Å; L1727-L1738 PolarHBondContact O-N 2.98Å; N1728-L1738 PolarHBondContact ND2-O 3.36Å; L1738-V1744 HydrophobicContact CD1-CG1 3.49Å; L1738-V1744 VanDerWaalsContact CD1-CG1 3.49Å; L1738-F1821 HydrophobicContact CD1-CB 4Å; L1738-F1821 HydrophobicContact CD1-CD2 4.2Å; L1738-F1821 HydrophobicContact CD1-CG 4.25Å; L1738-F1821 HydrophobicContact CD2-CB 4.48Å; L1738-F1821 HydrophobicContact CD2-CD1 4.22Å; L1738-F1821 HydrophobicContact CD2-CD2 3.84Å; L1738-F1821 HydrophobicContact CD2-CE1 4.42Å; L1738-F1821 HydrophobicContact CD2-CE2 4.01Å; L1738-F1821 HydrophobicContact CD2-CG 3.94Å; L1738-F1821 HydrophobicContact CD2-CZ 4.31Å | ||
| 1739 | P | 77.9 | Confident | 80.1 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | trans | -56.4 | 147.9 | 168.7 | -23.4 | 33.1 | 0 | 0 | 0 | 112.1 | S1741 E1742 Q1792 | P1739-S1741 PolarHBondContact O-N 2.83Å; P1739-S1741 VanDerWaalsContact O-N 3.14Å; P1739-E1742 HydrophobicContact CB-CG 4.11Å; P1739-E1742 HydrophobicContact CG-CG 4.15Å; P1739-E1742 WeakPolarHBondContact O-CB 3.49Å; P1739-E1742 PolarHBondContact O-N 3.02Å; P1739-Q1792 PolarHBondContact O-NE2 2.88Å | ||
| 1740 | I | 75.4 | Confident | 80.5 | Confident | 83 Ų | 83 | 38.5 Ų | 38.5 | 43% | 0.426 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.7 | -175.9 | -162.1 | 168.6 | 0 | 0 | 0 | 114 | N1728 E1742 Q1792 A1793 | N1728-I1740 PolarHBondContact ND2-N 3.36Å; I1740-E1742 VanDerWaalsContact C-N 3.31Å; I1740-Q1792 HydrophobicContact CG1-CB 4.25Å; I1740-A1793 HydrophobicContact CD1-CB 4.12Å; I1740-A1793 HydrophobicContact CG1-CB 3.86Å |
| 1741 | S | 72.6 | Confident | 80.8 | Confident | 101 Ų | 101 | 38.5 Ų | 38.5 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.8 | 176.4 | 58 | 0 | 0 | 0 | 0 | 114.5 | P1739 | P1739-S1741 PolarHBondContact O-N 2.83Å; P1739-S1741 VanDerWaalsContact O-N 3.14Å |
| 1742 | E | 83.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | trans | -98.1 | 145.9 | -174.9 | -71.7 | -76.9 | -160.3 | 0 | 0 | 112.1 | K1689 P1739 I1740 Q1792 F1821 | K1689-E1742 WeakPolarHBondContact CE-OE1 3.44Å; K1689-E1742 IonicContact NZ-OE1 3.8Å; K1689-E1742 PolarHBondContact NZ-OE1 2.87Å; K1689-E1742 IonicContact NZ-OE2 2.74Å; K1689-E1742 PolarHBondContact NZ-OE2 2.72Å; P1739-E1742 HydrophobicContact CB-CG 4.11Å; P1739-E1742 HydrophobicContact CG-CG 4.15Å; P1739-E1742 WeakPolarHBondContact O-CB 3.49Å; P1739-E1742 PolarHBondContact O-N 3.02Å; I1740-E1742 VanDerWaalsContact C-N 3.31Å; E1742-Q1792 PolarHBondContact O-NE2 3.07Å; E1742-F1821 HydrophobicContact CB-CD2 4.1Å; E1742-F1821 HydrophobicContact CB-CE2 4.16Å; E1742-F1821 HydrophobicContact CG-CD2 4.34Å; E1742-F1821 HydrophobicContact CG-CE2 3.9Å | ||
| 1743 | S | 86.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 160.3 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | F1790 H1791 F1821 | S1743-F1790 VanDerWaalsContact CA-O 3.31Å; S1743-F1790 WeakPolarHBondContact CA-O 3.49Å; S1743-F1790 WeakPolarHBondContact CB-O 3.38Å; S1743-H1791 VanDerWaalsContact CB-CD2 3.41Å; S1743-H1791 WeakPolarHBondContact CB-CD2 3.42Å; S1743-H1791 VanDerWaalsContact CB-NE2 3.35Å; S1743-H1791 WeakPolarHBondContact CB-NE2 3.44Å; S1743-H1791 PolarHBondContact OG-NE2 2.9Å; S1743-F1821 PolarHBondContact O-N 2.72Å |
| 1744 | V | 91.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.2 | -178 | -62.7 | 0 | 0 | 0 | 0 | 112 | L1712 L1727 L1738 L1789 F1790 F1821 A1823 | L1712-V1744 HydrophobicContact CD2-CG2 4.02Å; L1727-V1744 HydrophobicContact CD1-CG1 4.24Å; L1727-V1744 HydrophobicContact CD1-CG2 3.73Å; L1727-V1744 HydrophobicContact CD2-CG1 3.93Å; L1727-V1744 HydrophobicContact CD2-CG2 4.36Å; L1738-V1744 HydrophobicContact CD1-CG1 3.49Å; L1738-V1744 VanDerWaalsContact CD1-CG1 3.49Å; V1744-L1789 WeakPolarHBondContact O-CA 3.09Å; V1744-F1790 HydrophobicContact CG2-CB 3.99Å; V1744-F1790 HydrophobicContact CG2-CD1 4.37Å; V1744-F1790 PolarHBondContact N-O 2.54Å; V1744-F1790 VanDerWaalsContact N-O 3.08Å; V1744-F1790 PolarHBondContact O-N 3.23Å; V1744-F1821 CarbonylContact C-O 3.59Å; V1744-F1821 VanDerWaalsContact CA-O 3.3Å; V1744-F1821 WeakPolarHBondContact CA-O 3.16Å; V1744-F1821 HydrophobicContact CG1-CB 3.97Å; V1744-A1823 HydrophobicContact CB-CB 4.28Å; V1744-A1823 HydrophobicContact CG1-CB 4.46Å; V1744-A1823 HydrophobicContact CG2-CB 4.2Å |
| 1745 | W | 93.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 135.7 | 173.1 | -79.5 | 127.9 | 0 | 0 | 0 | 112.7 | M1690 W1692 A1695 L1711 C1787 L1789 A1813 T1818 Q1820 F1821 | M1690-W1745 PolarHBondContact O-NE1 3.08Å; W1692-W1745 HydrophobicContact CB-CD2 4.02Å; W1692-W1745 HydrophobicContact CB-CE3 4.25Å; W1692-W1745 HydrophobicContact CB-CH2 4.12Å; W1692-W1745 HydrophobicContact CB-CZ2 3.86Å; W1692-W1745 HydrophobicContact CB-CZ3 4.31Å; W1692-W1745 AromaticContact CD1-CD2 3.75Å; W1692-W1745 AromaticContact CD1-CE3 3.49Å; W1692-W1745 VanDerWaalsContact CD1-CE3 3.49Å; W1692-W1745 AromaticContact CD1-CZ3 3.97Å; W1692-W1745 HydrophobicContact CG-CD2 4.31Å; W1692-W1745 HydrophobicContact CG-CE3 4.27Å; A1695-W1745 HydrophobicContact CB-CB 4.31Å; A1695-W1745 HydrophobicContact CB-CG 4.29Å; L1711-W1745 HydrophobicContact CD2-CB 4.08Å; W1745-C1787 HydrophobicContact CE3-CB 4.38Å; W1745-C1787 HydrophobicContact CH2-CB 3.94Å; W1745-C1787 HydrophobicContact CZ3-CB 3.55Å; W1745-L1789 HydrophobicContact CD2-CD2 3.66Å; W1745-L1789 HydrophobicContact CE3-CD2 3.37Å; W1745-L1789 HydrophobicContact CE3-CG 3.88Å; W1745-L1789 HydrophobicContact CG-CD2 4.27Å; W1745-L1789 HydrophobicContact CH2-CD2 4.28Å; W1745-L1789 HydrophobicContact CH2-CG 4.41Å; W1745-L1789 HydrophobicContact CZ3-CD2 3.71Å; W1745-L1789 HydrophobicContact CZ3-CG 3.77Å; W1745-A1813 HydrophobicContact CH2-CB 3.49Å; W1745-A1813 VanDerWaalsContact CH2-CB 3.49Å; W1745-A1813 HydrophobicContact CZ3-CB 3.62Å; W1745-T1818 WeakPolarHBondContact CH2-OG1 3.42Å; W1745-T1818 VanDerWaalsContact CZ2-O 3.28Å; W1745-T1818 WeakPolarHBondContact CZ2-O 3.13Å; W1745-T1818 WeakPolarHBondContact CZ2-OG1 3.18Å; W1745-Q1820 HydrophobicContact CD2-CB 4.5Å; W1745-Q1820 HydrophobicContact CG-CB 4.5Å; W1745-F1821 PolarHBondContact N-O 3.05Å |
| 1746 | T | 93 | Very high | 81.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 164.8 | 169.6 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | W1692 L1712 L1748 Y1788 F1790 | W1692-T1746 PolarHBondContact NE1-O 3.22Å; L1712-T1746 CarbonylContact O-C 3.49Å; L1712-T1746 WeakPolarHBondContact O-CA 3.25Å; L1712-T1746 WeakPolarHBondContact O-CB 3.44Å; T1746-L1748 PolarHBondContact O-N 2.77Å; T1746-L1748 PolarHBondContact OG1-N 2.92Å; T1746-Y1788 WeakPolarHBondContact CB-O 3.36Å; T1746-Y1788 PolarHBondContact N-O 3.09Å; T1746-Y1788 VanDerWaalsContact N-O 3.11Å; T1746-Y1788 PolarHBondContact OG1-O 3.44Å; T1746-F1790 HydrophobicContact CG2-CB 3.81Å |
| 1747 | A | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 0.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1711 L1712 T1713 K1749 W1763 E1764 | L1711-A1747 HydrophobicContact CB-CB 3.67Å; L1712-A1747 PolarHBondContact O-N 3.2Å; T1713-A1747 HydrophobicContact CG2-CB 4.01Å; A1747-K1749 PolarHBondContact O-N 2.98Å; A1747-W1763 HydrophobicContact CB-CB 4.3Å; A1747-W1763 HydrophobicContact CB-CE3 4.08Å; A1747-E1764 PolarHBondContact O-N 2.93Å |
| 1748 | L | 91.5 | Very high | 81.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.6 | 179.4 | 176.1 | 55.4 | 0 | 0 | 0 | 110.4 | T1746 V1750 W1761 W1763 V1771 Y1788 | T1746-L1748 PolarHBondContact O-N 2.77Å; T1746-L1748 PolarHBondContact OG1-N 2.92Å; L1748-V1750 HydrophobicContact CD1-CG2 3.63Å; L1748-V1750 HydrophobicContact CD2-CG2 4.48Å; L1748-V1750 HydrophobicContact CG-CG2 4.05Å; L1748-W1761 HydrophobicContact CD1-CB 4.43Å; L1748-W1761 HydrophobicContact CD1-CE3 4.02Å; L1748-W1761 HydrophobicContact CD2-CE3 3.81Å; L1748-W1761 HydrophobicContact CD2-CZ3 3.88Å; L1748-W1761 HydrophobicContact CG-CE3 4.46Å; L1748-W1763 HydrophobicContact CB-CE3 3.69Å; L1748-W1763 HydrophobicContact CB-CH2 4.31Å; L1748-W1763 HydrophobicContact CB-CZ3 3.51Å; L1748-V1771 HydrophobicContact CD1-CG2 3.69Å; L1748-V1771 HydrophobicContact CD2-CG2 4.34Å; L1748-Y1788 HydrophobicContact CD2-CD1 4.4Å; L1748-Y1788 HydrophobicContact CD2-CD2 3.82Å; L1748-Y1788 HydrophobicContact CD2-CE2 4.35Å; L1748-Y1788 HydrophobicContact CD2-CG 3.84Å; L1748-Y1788 HydrophobicContact CG-CD2 3.73Å; L1748-Y1788 HydrophobicContact CG-CE2 4.44Å; L1748-Y1788 HydrophobicContact CG-CG 4.09Å; L1748-Y1788 PolarHBondContact O-N 2.79Å; L1748-Y1788 VanDerWaalsContact O-N 3.08Å |
| 1749 | K | 88.2 | Confident | 81.5 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 102.8 | 169.7 | 174.7 | 169.9 | 141.4 | -71.9 | 0 | 108.6 | W1692 A1747 E1764 G1786 | W1692-K1749 HydrophobicContact CD2-CD 4.21Å; W1692-K1749 HydrophobicContact CE3-CD 3.75Å; W1692-K1749 HydrophobicContact CH2-CB 3.97Å; W1692-K1749 HydrophobicContact CH2-CD 3.68Å; W1692-K1749 HydrophobicContact CH2-CG 4.49Å; W1692-K1749 HydrophobicContact CZ2-CB 3.68Å; W1692-K1749 HydrophobicContact CZ2-CD 4.13Å; W1692-K1749 HydrophobicContact CZ3-CD 3.49Å; W1692-K1749 VanDerWaalsContact CZ3-CD 3.49Å; A1747-K1749 PolarHBondContact O-N 2.98Å; K1749-E1764 IonicContact NZ-OE1 2.84Å; K1749-E1764 PolarHBondContact NZ-OE1 2.72Å; K1749-G1786 CarbonylContact C-O 3.58Å; K1749-G1786 WeakPolarHBondContact CA-O 3.21Å |
| 1750 | V | 88.4 | Confident | 81.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | trans | -78.4 | 144.4 | -179.1 | -179 | 0 | 0 | 0 | 0 | 109.3 | L1748 T1752 C1757 W1761 G1786 Y1788 | L1748-V1750 HydrophobicContact CD1-CG2 3.63Å; L1748-V1750 HydrophobicContact CD2-CG2 4.48Å; L1748-V1750 HydrophobicContact CG-CG2 4.05Å; V1750-T1752 PolarHBondContact O-N 2.96Å; V1750-C1757 HydrophobicContact CG1-CB 4.43Å; V1750-C1757 WeakPolarHBondContact CG1-O 3.26Å; V1750-W1761 HydrophobicContact CG1-CD2 4.27Å; V1750-W1761 HydrophobicContact CG1-CG 4.48Å; V1750-W1761 HydrophobicContact CG1-CZ2 4.1Å; V1750-W1761 HydrophobicContact CG2-CD2 3.52Å; V1750-W1761 HydrophobicContact CG2-CE3 3.58Å; V1750-W1761 HydrophobicContact CG2-CG 4.09Å; V1750-W1761 HydrophobicContact CG2-CH2 4.01Å; V1750-W1761 HydrophobicContact CG2-CZ2 3.96Å; V1750-W1761 HydrophobicContact CG2-CZ3 3.81Å; V1750-G1786 PolarHBondContact N-O 2.94Å; V1750-Y1788 HydrophobicContact CB-CE2 4.25Å; V1750-Y1788 HydrophobicContact CG2-CD2 4.13Å; V1750-Y1788 HydrophobicContact CG2-CE2 3.55Å | ||
| 1751 | P | 81.3 | Confident | 81.9 | Confident | 60 Ų | 60 | 41.9 Ų | 41.9 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | trans | -55.6 | 128.1 | 171.8 | -25.5 | 35.3 | 0 | 0 | 0 | 111.7 | T1753 D1756 C1757 G1785 | P1751-T1753 PolarHBondContact O-N 2.99Å; P1751-D1756 HydrophobicContact CB-CB 4.38Å; P1751-C1757 VanDerWaalsContact O-CB 3.26Å; P1751-C1757 WeakPolarHBondContact O-CB 3.28Å; P1751-G1785 WeakPolarHBondContact O-CA 3.28Å | ||
| 1752 | T | 77.4 | Confident | 82.4 | Confident | 101 Ų | 101 | 39.8 Ų | 39.8 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -75.5 | 20.1 | 179.7 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | V1750 G1785 | V1750-T1752 PolarHBondContact O-N 2.96Å; T1752-G1785 WeakPolarHBondContact CG2-O 3.5Å |
| 1753 | T | 71.9 | Confident | 82.6 | Confident | 82 Ų | 82 | 38 Ų | 38 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -139.8 | 108.9 | -172 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | P1751 D1756 C1757 | P1751-T1753 PolarHBondContact O-N 2.99Å; T1753-D1756 PolarHBondContact O-N 3.06Å; T1753-C1757 PolarHBondContact O-N 3.14Å; T1753-C1757 VanDerWaalsContact O-N 3.08Å |
| 1754 | C | 69.9 | Low | 82.4 | Confident | 53 Ų | 53 | 40.6 Ų | 40.6 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 148.3 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | C1757 Y1758 N1783 | C1754-C1757 WeakPolarHBondContact CA-SG 3.5Å; C1754-C1757 HydrophobicContact CB-CB 4.02Å; C1754-C1757 WeakPolarHBondContact CB-SG 3.29Å; C1754-C1757 WeakPolarHBondContact SG-CB 3.28Å; C1754-C1757 CovalentContact SG-SG 2.03Å; C1754-C1757 PolarHBondContact SG-SG 3.11Å; C1754-Y1758 HydrophobicContact CB-CD2 4.2Å; C1754-Y1758 HydrophobicContact CB-CE2 3.75Å; C1754-N1783 PolarHBondContact SG-OD1 2.88Å; C1754-N1783 VanDerWaalsContact SG-OD1 3.33Å |
| 1755 | P | 68.9 | Low | 81.8 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -82.8 | -9.1 | 10.6 | 33.9 | -37.2 | 0 | 0 | 0 | 115.7 | C1757 Y1758 | P1755-C1757 PolarHBondContact O-N 3.07Å; P1755-C1757 VanDerWaalsContact O-N 3.12Å; P1755-Y1758 HydrophobicContact CB-CD2 4.37Å; P1755-Y1758 PolarHBondContact O-N 2.94Å |
| 1756 | D | 68.7 | Low | 80.7 | Confident | 107 Ų | 107 | 47 Ų | 47 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.3 | 179.3 | -57.3 | -40.7 | 0 | 0 | 0 | 112.2 | P1751 T1753 Y1758 | P1751-D1756 HydrophobicContact CB-CB 4.38Å; T1753-D1756 PolarHBondContact O-N 3.06Å; D1756-Y1758 PolarHBondContact O-N 3.04Å |
| 1757 | C | 81.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.2 | -19.8 | 171.3 | 85.4 | 0 | 0 | 0 | 0 | 114.9 | V1750 P1751 T1753 C1754 P1755 W1761 | V1750-C1757 HydrophobicContact CG1-CB 4.43Å; V1750-C1757 WeakPolarHBondContact CG1-O 3.26Å; P1751-C1757 VanDerWaalsContact O-CB 3.26Å; P1751-C1757 WeakPolarHBondContact O-CB 3.28Å; T1753-C1757 PolarHBondContact O-N 3.14Å; T1753-C1757 VanDerWaalsContact O-N 3.08Å; C1754-C1757 WeakPolarHBondContact CA-SG 3.5Å; C1754-C1757 HydrophobicContact CB-CB 4.02Å; C1754-C1757 WeakPolarHBondContact CB-SG 3.29Å; C1754-C1757 WeakPolarHBondContact SG-CB 3.28Å; C1754-C1757 CovalentContact SG-SG 2.03Å; C1754-C1757 PolarHBondContact SG-SG 3.11Å; P1755-C1757 PolarHBondContact O-N 3.07Å; P1755-C1757 VanDerWaalsContact O-N 3.12Å; C1757-W1761 PolarHBondContact O-NE1 3.46Å |
| 1758 | Y | 81.9 | Confident | 78.6 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -104.3 | -5.9 | -172.5 | -59.4 | -57.6 | 0 | 0 | 0 | 114.7 | C1754 P1755 D1756 E1782 P1784 L1892 R1893 L1896 I1954 | C1754-Y1758 HydrophobicContact CB-CD2 4.2Å; C1754-Y1758 HydrophobicContact CB-CE2 3.75Å; P1755-Y1758 HydrophobicContact CB-CD2 4.37Å; P1755-Y1758 PolarHBondContact O-N 2.94Å; D1756-Y1758 PolarHBondContact O-N 3.04Å; Y1758-E1782 VanDerWaalsContact CE1-O 3.26Å; Y1758-E1782 WeakPolarHBondContact CE1-O 3.23Å; Y1758-E1782 PolarHBondContact OH-O 3.11Å; Y1758-P1784 HydrophobicContact CD1-CG 4.09Å; Y1758-P1784 HydrophobicContact CE1-CG 4.31Å; Y1758-L1892 HydrophobicContact CD2-CD2 4.09Å; Y1758-L1892 HydrophobicContact CG-CD2 4.03Å; Y1758-R1893 PolarHBondContact O-N 2.93Å; Y1758-R1893 VanDerWaalsContact O-N 3.15Å; Y1758-L1896 HydrophobicContact CD1-CD1 4.17Å; Y1758-I1954 HydrophobicContact CD1-CD1 3.77Å; Y1758-I1954 HydrophobicContact CE1-CD1 3.53Å |
| 1759 | A | 77.7 | Confident | 77.7 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -137.1 | 158.2 | -170 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1761 | A1759-W1761 VanDerWaalsContact C-N 3.29Å; A1759-W1761 PolarHBondContact O-N 3.31Å; A1759-W1761 VanDerWaalsContact O-N 3.1Å |
| 1760 | N | 76.3 | Confident | 77.1 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 43% | 0.428 | 33% | 0.329 | S | S | . | . | trans | 50.9 | 36.8 | 170.4 | -61.6 | -19.8 | 0 | 0 | 0 | 116.1 | T1762 M1883 N1933 | N1760-T1762 PolarHBondContact O-N 2.87Å; N1760-M1883 WeakPolarHBondContact OD1-CE 3.45Å; N1760-M1883 PolarHBondContact OD1-SD 2.92Å; N1760-N1933 PolarHBondContact OD1-ND2 2.9Å; N1760-N1933 PolarHBondContact OD1-OD1 3.46Å; N1760-N1933 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 1761 | W | 85.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 2% | 0.023 | 33% | 0.328 | C | S | . | . | trans | -62.6 | 132.4 | 175.3 | -61.7 | 10 | 0 | 0 | 0 | 110.4 | L1748 V1750 C1757 A1759 P1770 V1771 W1776 P1784 Y1788 L1896 | L1748-W1761 HydrophobicContact CD1-CB 4.43Å; L1748-W1761 HydrophobicContact CD1-CE3 4.02Å; L1748-W1761 HydrophobicContact CD2-CE3 3.81Å; L1748-W1761 HydrophobicContact CD2-CZ3 3.88Å; L1748-W1761 HydrophobicContact CG-CE3 4.46Å; V1750-W1761 HydrophobicContact CG1-CD2 4.27Å; V1750-W1761 HydrophobicContact CG1-CG 4.48Å; V1750-W1761 HydrophobicContact CG1-CZ2 4.1Å; V1750-W1761 HydrophobicContact CG2-CD2 3.52Å; V1750-W1761 HydrophobicContact CG2-CE3 3.58Å; V1750-W1761 HydrophobicContact CG2-CG 4.09Å; V1750-W1761 HydrophobicContact CG2-CH2 4.01Å; V1750-W1761 HydrophobicContact CG2-CZ2 3.96Å; V1750-W1761 HydrophobicContact CG2-CZ3 3.81Å; C1757-W1761 PolarHBondContact O-NE1 3.46Å; A1759-W1761 VanDerWaalsContact C-N 3.29Å; A1759-W1761 PolarHBondContact O-N 3.31Å; A1759-W1761 VanDerWaalsContact O-N 3.1Å; W1761-P1770 WeakPolarHBondContact O-CA 3.18Å; W1761-V1771 HydrophobicContact CB-CB 4.1Å; W1761-V1771 HydrophobicContact CB-CG2 3.8Å; W1761-V1771 PolarHBondContact O-N 3.01Å; W1761-W1776 AromaticContact CH2-CH2 3.87Å; W1761-W1776 HydrophobicContact CH2-CH2 3.87Å; W1761-W1776 HydrophobicContact CH2-CZ2 4.47Å; W1761-W1776 AromaticContact CZ3-CH2 3.82Å; W1761-W1776 HydrophobicContact CZ3-CH2 3.82Å; W1761-P1784 HydrophobicContact CH2-CB 3.85Å; W1761-P1784 HydrophobicContact CH2-CG 4.49Å; W1761-P1784 HydrophobicContact CZ2-CB 3.63Å; W1761-P1784 HydrophobicContact CZ2-CG 3.79Å; W1761-Y1788 HydrophobicContact CH2-CE2 4.44Å; W1761-Y1788 AromaticContact CH2-CZ 3.98Å; W1761-Y1788 WeakPolarHBondContact CH2-OH 3.44Å; W1761-Y1788 HydrophobicContact CZ3-CE2 4.38Å; W1761-L1896 HydrophobicContact CH2-CD2 4.01Å; W1761-L1896 HydrophobicContact CZ2-CD1 3.96Å; W1761-L1896 HydrophobicContact CZ2-CD2 3.94Å; W1761-L1896 HydrophobicContact CZ2-CG 4.45Å | ||
| 1762 | T | 83.2 | Confident | 76.4 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -129.3 | 151.9 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 110 | N1760 N1768 E1769 | N1760-T1762 PolarHBondContact O-N 2.87Å; T1762-N1768 HydrophobicContact CG2-CB 4.44Å; T1762-N1768 WeakPolarHBondContact CG2-O 3.35Å; T1762-E1769 VanDerWaalsContact CA-O 3.3Å; T1762-E1769 WeakPolarHBondContact CA-O 3.45Å |
| 1763 | W | 86.1 | Confident | 76.5 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 135.4 | 170.9 | -56.4 | 98.6 | 0 | 0 | 0 | 109.5 | T1713 I1714 A1747 L1748 T1765 E1769 V1771 | T1713-W1763 HydrophobicContact CG2-CB 3.57Å; T1713-W1763 HydrophobicContact CG2-CD2 3.63Å; T1713-W1763 HydrophobicContact CG2-CE3 3.89Å; T1713-W1763 HydrophobicContact CG2-CG 3.49Å; T1713-W1763 VanDerWaalsContact CG2-CG 3.49Å; I1714-W1763 HydrophobicContact CB-CH2 4.16Å; I1714-W1763 HydrophobicContact CB-CZ2 4.31Å; I1714-W1763 HydrophobicContact CG1-CH2 4.38Å; I1714-W1763 VanDerWaalsContact N-CZ2 3.25Å; I1714-W1763 WeakPolarHBondContact O-CZ2 3.43Å; A1747-W1763 HydrophobicContact CB-CB 4.3Å; A1747-W1763 HydrophobicContact CB-CE3 4.08Å; L1748-W1763 HydrophobicContact CB-CE3 3.69Å; L1748-W1763 HydrophobicContact CB-CH2 4.31Å; L1748-W1763 HydrophobicContact CB-CZ3 3.51Å; W1763-T1765 HydrophobicContact CB-CG2 3.86Å; W1763-T1765 PolarHBondContact O-N 3.36Å; W1763-T1765 PolarHBondContact O-OG1 2.69Å; W1763-E1769 PolarHBondContact N-O 3.45Å; W1763-V1771 HydrophobicContact CD2-CG2 4.15Å; W1763-V1771 HydrophobicContact CG-CG2 4.37Å; W1763-V1771 HydrophobicContact CZ2-CB 4.47Å; W1763-V1771 HydrophobicContact CZ2-CG1 4.02Å; W1763-V1771 HydrophobicContact CZ2-CG2 4.2Å |
| 1764 | E | 82.6 | Confident | 76.9 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -72.5 | 60 | 178.7 | -91.8 | -155.6 | -136.6 | 0 | 0 | 113.1 | W1692 N1696 K1700 A1747 K1749 | W1692-E1764 HydrophobicContact CH2-CB 4.13Å; W1692-E1764 VanDerWaalsContact CH2-CD 3.47Å; W1692-E1764 HydrophobicContact CH2-CG 4.24Å; W1692-E1764 WeakPolarHBondContact CH2-OE1 3.44Å; W1692-E1764 WeakPolarHBondContact CH2-OE2 3.1Å; W1692-E1764 HydrophobicContact CZ2-CB 4.31Å; N1696-E1764 PolarHBondContact ND2-OE2 3.07Å; N1696-E1764 VanDerWaalsContact ND2-OE2 3.16Å; K1700-E1764 WeakPolarHBondContact CE-O 3.31Å; K1700-E1764 PolarHBondContact NZ-O 2.91Å; A1747-E1764 PolarHBondContact O-N 2.93Å; K1749-E1764 IonicContact NZ-OE1 2.84Å; K1749-E1764 PolarHBondContact NZ-OE1 2.72Å |
| 1765 | T | 79.2 | Confident | 77 | Confident | 27 Ų | 27 | 51 Ų | 51 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -92.6 | -161.5 | 178.3 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | T1713 W1763 N1768 | T1713-T1765 HydrophobicContact CG2-CG2 3.67Å; W1763-T1765 HydrophobicContact CB-CG2 3.86Å; W1763-T1765 PolarHBondContact O-N 3.36Å; W1763-T1765 PolarHBondContact O-OG1 2.69Å; T1765-N1768 PolarHBondContact OG1-N 2.95Å; T1765-N1768 VanDerWaalsContact OG1-N 3.16Å |
| 1766 | Y | 70.5 | Confident | 77.1 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 43% | 0.427 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -85.1 | -27.7 | 171.7 | -71.9 | -95.7 | 0 | 0 | 0 | 112.3 | K1700 S1703 N1708 | K1700-Y1766 HydrophobicContact CG-CE2 4.38Å; S1703-Y1766 PolarHBondContact OG-OH 3.18Å; N1708-Y1766 HydrophobicContact CB-CD2 3.71Å; N1708-Y1766 HydrophobicContact CB-CE2 3.66Å; N1708-Y1766 HydrophobicContact CB-CG 4.44Å |
| 1767 | D | 68.4 | Low | 76.7 | Confident | 134 Ų | 134 | 46 Ų | 46 | 72% | 0.717 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -104.6 | -9.3 | -173.4 | -57 | -65 | 0 | 0 | 0 | 113.5 | ||
| 1768 | N | 72.1 | Confident | 75.7 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | trans | 53.5 | 47.6 | -175.5 | -60.9 | -31.3 | 0 | 0 | 0 | 113.5 | T1762 T1765 | T1762-N1768 HydrophobicContact CG2-CB 4.44Å; T1762-N1768 WeakPolarHBondContact CG2-O 3.35Å; T1765-N1768 PolarHBondContact OG1-N 2.95Å; T1765-N1768 VanDerWaalsContact OG1-N 3.16Å | ||
| 1769 | E | 73.2 | Confident | 75 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | trans | -57.4 | 142.4 | 173.8 | -80.6 | -73.5 | 141.4 | 0 | 0 | 111.7 | T1762 W1763 R1772 | T1762-E1769 VanDerWaalsContact CA-O 3.3Å; T1762-E1769 WeakPolarHBondContact CA-O 3.45Å; W1763-E1769 PolarHBondContact N-O 3.45Å; E1769-R1772 IonicContact OE2-CZ 2.76Å; E1769-R1772 IonicContact OE2-NH1 2.63Å; E1769-R1772 PolarHBondContact OE2-NH1 3.08Å; E1769-R1772 IonicContact OE2-NH2 3.53Å; E1769-R1772 PolarHBondContact OE2-NH2 3.46Å | ||
| 1770 | P | 75.1 | Confident | 74.5 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 154.2 | 178.5 | 30.4 | -36.4 | 0 | 0 | 0 | 112.7 | W1761 R1772 E1932 | W1761-P1770 WeakPolarHBondContact O-CA 3.18Å; P1770-R1772 HydrophobicContact CG-CG 4.5Å; P1770-R1772 PolarHBondContact O-N 3.18Å; P1770-E1932 WeakPolarHBondContact CG-OE1 3.4Å |
| 1771 | V | 81.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -76.5 | 105.1 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | L1748 W1761 W1763 T1774 A1931 | L1748-V1771 HydrophobicContact CD1-CG2 3.69Å; L1748-V1771 HydrophobicContact CD2-CG2 4.34Å; W1761-V1771 HydrophobicContact CB-CB 4.1Å; W1761-V1771 HydrophobicContact CB-CG2 3.8Å; W1761-V1771 PolarHBondContact O-N 3.01Å; W1763-V1771 HydrophobicContact CD2-CG2 4.15Å; W1763-V1771 HydrophobicContact CG-CG2 4.37Å; W1763-V1771 HydrophobicContact CZ2-CB 4.47Å; W1763-V1771 HydrophobicContact CZ2-CG1 4.02Å; W1763-V1771 HydrophobicContact CZ2-CG2 4.2Å; V1771-T1774 HydrophobicContact CG1-CG2 4.31Å; V1771-A1931 WeakPolarHBondContact O-CB 3.08Å | ||
| 1772 | R | 72.7 | Confident | 72.7 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | trans | -98.5 | 2.1 | 179.4 | -59.4 | -164.3 | -171.2 | 99.5 | 12.2 | 115 | E1769 P1770 S1929 E1932 | E1769-R1772 IonicContact OE2-CZ 2.76Å; E1769-R1772 IonicContact OE2-NH1 2.63Å; E1769-R1772 PolarHBondContact OE2-NH1 3.08Å; E1769-R1772 IonicContact OE2-NH2 3.53Å; E1769-R1772 PolarHBondContact OE2-NH2 3.46Å; P1770-R1772 HydrophobicContact CG-CG 4.5Å; P1770-R1772 PolarHBondContact O-N 3.18Å; R1772-S1929 WeakPolarHBondContact O-CB 3.4Å; R1772-S1929 PolarHBondContact O-OG 2.84Å; R1772-E1932 WeakPolarHBondContact CD-OE1 3.46Å; R1772-E1932 HydrophobicContact CG-CG 4.27Å; R1772-E1932 WeakPolarHBondContact CG-OE1 3.26Å; R1772-E1932 IonicContact CZ-OE1 3.54Å; R1772-E1932 IonicContact NE-OE1 2.69Å; R1772-E1932 PolarHBondContact NE-OE1 2.04Å | ||
| 1773 | Y | 79.1 | Confident | 72 | Confident | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | trans | -144.9 | 135.4 | -179.2 | 176.1 | -98.1 | 0 | 0 | 0 | 112.8 | P1606 I1714 V1717 A1720 R1724 D1775 I1810 | P1606-Y1773 HydrophobicContact CB-CE2 4.1Å; P1606-Y1773 HydrophobicContact CG-CE2 4.38Å; I1714-Y1773 HydrophobicContact CB-CD1 4.04Å; I1714-Y1773 HydrophobicContact CG2-CD1 3.34Å; I1714-Y1773 HydrophobicContact CG2-CE1 3.79Å; I1714-Y1773 HydrophobicContact CG2-CG 4.14Å; V1717-Y1773 HydrophobicContact CB-CD2 4.41Å; V1717-Y1773 HydrophobicContact CB-CE2 3.7Å; V1717-Y1773 HydrophobicContact CG2-CE2 4.42Å; A1720-Y1773 HydrophobicContact CB-CD1 4.34Å; A1720-Y1773 HydrophobicContact CB-CE1 3.39Å; A1720-Y1773 VanDerWaalsContact CB-OH 3.28Å; A1720-Y1773 WeakPolarHBondContact CB-OH 3.43Å; R1724-Y1773 PolarHBondContact NH2-OH 2.78Å; Y1773-D1775 HydrophobicContact CE1-CB 4.2Å; Y1773-D1775 HydrophobicContact CE2-CB 4.4Å; Y1773-D1775 VanDerWaalsContact OH-CB 3.27Å; Y1773-D1775 WeakPolarHBondContact OH-CB 3.46Å; Y1773-I1810 HydrophobicContact CD1-CD1 3.94Å; Y1773-I1810 HydrophobicContact CE1-CD1 4.19Å | ||
| 1774 | T | 79.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -147 | 168.9 | 171.7 | 48.8 | 0 | 0 | 0 | 0 | 107.8 | V1771 W1776 R1893 D1895 Y1930 | V1771-T1774 HydrophobicContact CG1-CG2 4.31Å; T1774-W1776 HydrophobicContact CG2-CE3 4.3Å; T1774-W1776 HydrophobicContact CG2-CH2 3.34Å; T1774-W1776 HydrophobicContact CG2-CZ2 3.78Å; T1774-W1776 HydrophobicContact CG2-CZ3 3.62Å; T1774-R1893 VanDerWaalsContact CG2-NH2 3.34Å; T1774-D1895 VanDerWaalsContact CB-OD2 3.32Å; T1774-D1895 WeakPolarHBondContact CB-OD2 3.06Å; T1774-D1895 WeakPolarHBondContact CG2-OD2 3.09Å; T1774-D1895 PolarHBondContact OG1-OD2 3.24Å; T1774-Y1930 PolarHBondContact O-OH 3.38Å; T1774-Y1930 PolarHBondContact OG1-OH 3Å | ||
| 1775 | D | 73.9 | Confident | 71.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -152.7 | 25.2 | -170.6 | 76 | -40.8 | 0 | 0 | 0 | 115.8 | P1606 R1724 Y1773 G1808 S1809 I1810 | P1606-D1775 HydrophobicContact CB-CB 3.92Å; P1606-D1775 HydrophobicContact CG-CB 4.26Å; R1724-D1775 IonicContact CZ-OD2 2.74Å; R1724-D1775 IonicContact NH2-OD2 3.62Å; R1724-D1775 PolarHBondContact NH2-OD2 2.92Å; Y1773-D1775 HydrophobicContact CE1-CB 4.2Å; Y1773-D1775 HydrophobicContact CE2-CB 4.4Å; Y1773-D1775 VanDerWaalsContact OH-CB 3.27Å; Y1773-D1775 WeakPolarHBondContact OH-CB 3.46Å; D1775-G1808 VanDerWaalsContact O-CA 3.22Å; D1775-G1808 WeakPolarHBondContact O-CA 3.45Å; D1775-S1809 PolarHBondContact OD1-N 3.04Å; D1775-S1809 WeakPolarHBondContact OD2-CB 3.22Å; D1775-S1809 PolarHBondContact OD2-N 3.35Å; D1775-S1809 PolarHBondContact OD2-OG 3.04Å; D1775-I1810 PolarHBondContact OD1-N 3.38Å | ||
| 1776 | W | 69 | Low | 72.1 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | trans | -90.3 | 148.5 | 177.4 | 53 | 66.7 | 0 | 0 | 0 | 112.3 | W1761 T1774 K1778 P1780 Y1788 I1810 D1895 L1896 | W1761-W1776 AromaticContact CH2-CH2 3.87Å; W1761-W1776 HydrophobicContact CH2-CH2 3.87Å; W1761-W1776 HydrophobicContact CH2-CZ2 4.47Å; W1761-W1776 AromaticContact CZ3-CH2 3.82Å; W1761-W1776 HydrophobicContact CZ3-CH2 3.82Å; T1774-W1776 HydrophobicContact CG2-CE3 4.3Å; T1774-W1776 HydrophobicContact CG2-CH2 3.34Å; T1774-W1776 HydrophobicContact CG2-CZ2 3.78Å; T1774-W1776 HydrophobicContact CG2-CZ3 3.62Å; W1776-K1778 WeakPolarHBondContact CB-O 3.29Å; W1776-P1780 HydrophobicContact CD2-CG 4.23Å; W1776-P1780 VanDerWaalsContact CE2-CD 3.41Å; W1776-P1780 HydrophobicContact CE3-CG 4.19Å; W1776-P1780 HydrophobicContact CH2-CG 3.77Å; W1776-P1780 HydrophobicContact CZ2-CG 3.84Å; W1776-P1780 HydrophobicContact CZ3-CG 3.96Å; W1776-Y1788 HydrophobicContact CZ3-CE1 4.2Å; W1776-I1810 HydrophobicContact CZ3-CB 4.47Å; W1776-I1810 HydrophobicContact CZ3-CG2 4.06Å; W1776-D1895 WeakPolarHBondContact CZ2-OD2 3.29Å; W1776-D1895 PolarHBondContact NE1-O 2.87Å; W1776-L1896 HydrophobicContact CZ2-CD2 3.91Å | ||
| 1777 | Y | 60.3 | Low | 73 | Confident | 74 Ų | 74 | 34 Ų | 34 | 29% | 0.29 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -92 | -34.8 | 173.8 | -64.8 | -85.4 | 0 | 0 | 0 | 112.2 | F1390 R1607 Y1795 G1806 | F1390-Y1777 WeakPolarHBondContact CE2-OH 3.31Å; R1607-Y1777 HydrophobicContact CB-CE1 4.15Å; R1607-Y1777 HydrophobicContact CG-CD1 4.26Å; R1607-Y1777 HydrophobicContact CG-CE1 3.58Å; Y1777-Y1795 HydrophobicContact CD2-CE1 4.17Å; Y1777-Y1795 AromaticContact CE2-CE1 3.75Å; Y1777-Y1795 HydrophobicContact CE2-CE1 3.75Å; Y1777-Y1795 AromaticContact CE2-CZ 3.75Å; Y1777-Y1795 WeakPolarHBondContact CE2-OH 3.41Å; Y1777-G1806 WeakPolarHBondContact CA-O 3.06Å; Y1777-G1806 WeakPolarHBondContact CB-O 3.04Å; Y1777-G1806 PolarHBondContact N-O 2.89Å |
| 1778 | K | 61.9 | Low | 74.2 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -106.9 | 135.8 | 165.4 | -164.5 | -177.1 | -177.6 | -174.4 | 0 | 109 | E1247 D1265 W1776 G1806 D1898 | E1247-K1778 IonicContact OE2-NZ 2.89Å; E1247-K1778 PolarHBondContact OE2-NZ 3.39Å; D1265-K1778 IonicContact OD1-NZ 3.73Å; D1265-K1778 VanDerWaalsContact OD2-CE 3.31Å; D1265-K1778 WeakPolarHBondContact OD2-CE 3.47Å; D1265-K1778 IonicContact OD2-NZ 3.84Å; D1265-K1778 PolarHBondContact OD2-NZ 2.86Å; W1776-K1778 WeakPolarHBondContact CB-O 3.29Å; K1778-G1806 PolarHBondContact N-O 2.03Å; K1778-D1898 WeakPolarHBondContact CG-OD2 3.32Å |
| 1779 | S | 65.8 | Low | 75 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | trans | -53.9 | 147 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | G1781 L1896 D1898 | S1779-G1781 PolarHBondContact O-N 2.87Å; S1779-L1896 WeakPolarHBondContact CB-O 3.29Å; S1779-L1896 WeakPolarHBondContact OG-CA 3.49Å; S1779-L1896 PolarHBondContact OG-O 2.92Å; S1779-D1898 WeakPolarHBondContact CB-OD1 3.35Å; S1779-D1898 PolarHBondContact N-OD1 3.22Å | ||
| 1780 | P | 67.7 | Low | 75.9 | Confident | 19 Ų | 19 | 19 Ų | 19 | 12% | 0.123 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -74.3 | 59.5 | -178.8 | 31.3 | -37 | 0 | 0 | 0 | 112.9 | W1776 P1784 L1896 | W1776-P1780 HydrophobicContact CD2-CG 4.23Å; W1776-P1780 VanDerWaalsContact CE2-CD 3.41Å; W1776-P1780 HydrophobicContact CE3-CG 4.19Å; W1776-P1780 HydrophobicContact CH2-CG 3.77Å; W1776-P1780 HydrophobicContact CZ2-CG 3.84Å; W1776-P1780 HydrophobicContact CZ3-CG 3.96Å; P1780-P1784 HydrophobicContact CG-CB 4.14Å; P1780-L1896 HydrophobicContact CG-CD2 4.28Å |
| 1781 | G | 63.4 | Low | 76.5 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 8% | 0.082 | 9% | 0.091 | C | C | . | . | trans | 71.8 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1267 S1779 N1783 | M1267-G1781 WeakPolarHBondContact O-CA 3.48Å; S1779-G1781 PolarHBondContact O-N 2.87Å; G1781-N1783 VanDerWaalsContact C-N 3.28Å; G1781-N1783 PolarHBondContact O-N 3.43Å | ||
| 1782 | E | 60.9 | Low | 76.4 | Confident | 40 Ų | 40 | 19.8 Ų | 19.8 | 19% | 0.187 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -70.3 | -22.6 | 176.8 | -63.6 | -164 | 161.5 | 0 | 0 | 113.1 | E1268 Y1758 P1784 N1955 | E1268-E1782 HydrophobicContact CB-CB 3.99Å; E1268-E1782 HydrophobicContact CB-CG 4.31Å; E1268-E1782 HydrophobicContact CG-CB 3.95Å; Y1758-E1782 VanDerWaalsContact CE1-O 3.26Å; Y1758-E1782 WeakPolarHBondContact CE1-O 3.23Å; Y1758-E1782 PolarHBondContact OH-O 3.11Å; E1782-P1784 WeakPolarHBondContact O-CD 3.48Å; E1782-N1955 PolarHBondContact OE1-ND2 3.42Å |
| 1783 | N | 68.7 | Low | 76.3 | Confident | 19 Ų | 19 | 15.9 Ų | 15.9 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | trans | -115.2 | 93 | 172.7 | -179.7 | 74.9 | 0 | 0 | 0 | 110.7 | E1269 C1754 G1781 G1785 | E1269-N1783 HydrophobicContact CB-CB 3.81Å; E1269-N1783 HydrophobicContact CG-CB 4.13Å; E1269-N1783 PolarHBondContact OE2-ND2 2.89Å; C1754-N1783 PolarHBondContact SG-OD1 2.88Å; C1754-N1783 VanDerWaalsContact SG-OD1 3.33Å; G1781-N1783 VanDerWaalsContact C-N 3.28Å; G1781-N1783 PolarHBondContact O-N 3.43Å; N1783-G1785 PolarHBondContact O-N 3.45Å; N1783-G1785 VanDerWaalsContact O-N 3.09Å | ||
| 1784 | P | 78.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -79.2 | 15.9 | 178.8 | 34.9 | -39.1 | 0 | 0 | 0 | 113.4 | Y1758 W1761 P1780 E1782 G1786 Y1788 L1896 | Y1758-P1784 HydrophobicContact CD1-CG 4.09Å; Y1758-P1784 HydrophobicContact CE1-CG 4.31Å; W1761-P1784 HydrophobicContact CH2-CB 3.85Å; W1761-P1784 HydrophobicContact CH2-CG 4.49Å; W1761-P1784 HydrophobicContact CZ2-CB 3.63Å; W1761-P1784 HydrophobicContact CZ2-CG 3.79Å; P1780-P1784 HydrophobicContact CG-CB 4.14Å; E1782-P1784 WeakPolarHBondContact O-CD 3.48Å; P1784-G1786 PolarHBondContact O-N 2.8Å; P1784-Y1788 WeakPolarHBondContact CA-OH 3.06Å; P1784-Y1788 WeakPolarHBondContact CB-OH 3.37Å; P1784-Y1788 WeakPolarHBondContact O-CE2 3.47Å; P1784-Y1788 PolarHBondContact O-OH 3.27Å; P1784-L1896 HydrophobicContact CB-CD2 4.16Å; P1784-L1896 HydrophobicContact CG-CD1 4.25Å; P1784-L1896 HydrophobicContact CG-CD2 4.24Å | ||
| 1785 | G | 82.8 | Confident | 74.4 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | -89.3 | 89.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1751 T1752 N1783 | P1751-G1785 WeakPolarHBondContact O-CA 3.28Å; T1752-G1785 WeakPolarHBondContact CG2-O 3.5Å; N1783-G1785 PolarHBondContact O-N 3.45Å; N1783-G1785 VanDerWaalsContact O-N 3.09Å | ||
| 1786 | G | 88.2 | Confident | 73.2 | Confident | 8 Ų | 8 | 23 Ų | 23 | 8% | 0.082 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -173.1 | -156.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1749 V1750 P1784 | K1749-G1786 CarbonylContact C-O 3.58Å; K1749-G1786 WeakPolarHBondContact CA-O 3.21Å; V1750-G1786 PolarHBondContact N-O 2.94Å; P1784-G1786 PolarHBondContact O-N 2.8Å |
| 1787 | C | 90.8 | Very high | 71.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.1 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | W1692 W1745 A1813 C1816 | W1692-C1787 HydrophobicContact CB-CB 4.24Å; W1692-C1787 HydrophobicContact CG-CB 3.93Å; W1692-C1787 VanDerWaalsContact CG-SG 3.57Å; W1745-C1787 HydrophobicContact CE3-CB 4.38Å; W1745-C1787 HydrophobicContact CH2-CB 3.94Å; W1745-C1787 HydrophobicContact CZ3-CB 3.55Å; C1787-A1813 VanDerWaalsContact O-CB 3.24Å; C1787-A1813 WeakPolarHBondContact O-CB 3.48Å; C1787-A1813 PolarHBondContact O-N 3.27Å; C1787-C1816 HydrophobicContact CB-CB 3.92Å; C1787-C1816 WeakPolarHBondContact CB-SG 3.09Å; C1787-C1816 WeakPolarHBondContact SG-CB 3.36Å; C1787-C1816 CovalentContact SG-SG 2.04Å; C1787-C1816 PolarHBondContact SG-SG 3.22Å |
| 1788 | Y | 91.8 | Very high | 70.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140 | -173.1 | -77.2 | -101.3 | 0 | 0 | 0 | 113.9 | T1746 L1748 V1750 W1761 W1776 P1784 I1810 Q1811 L1812 | T1746-Y1788 WeakPolarHBondContact CB-O 3.36Å; T1746-Y1788 PolarHBondContact N-O 3.09Å; T1746-Y1788 VanDerWaalsContact N-O 3.11Å; T1746-Y1788 PolarHBondContact OG1-O 3.44Å; L1748-Y1788 HydrophobicContact CD2-CD1 4.4Å; L1748-Y1788 HydrophobicContact CD2-CD2 3.82Å; L1748-Y1788 HydrophobicContact CD2-CE2 4.35Å; L1748-Y1788 HydrophobicContact CD2-CG 3.84Å; L1748-Y1788 HydrophobicContact CG-CD2 3.73Å; L1748-Y1788 HydrophobicContact CG-CE2 4.44Å; L1748-Y1788 HydrophobicContact CG-CG 4.09Å; L1748-Y1788 PolarHBondContact O-N 2.79Å; L1748-Y1788 VanDerWaalsContact O-N 3.08Å; V1750-Y1788 HydrophobicContact CB-CE2 4.25Å; V1750-Y1788 HydrophobicContact CG2-CD2 4.13Å; V1750-Y1788 HydrophobicContact CG2-CE2 3.55Å; W1761-Y1788 HydrophobicContact CH2-CE2 4.44Å; W1761-Y1788 AromaticContact CH2-CZ 3.98Å; W1761-Y1788 WeakPolarHBondContact CH2-OH 3.44Å; W1761-Y1788 HydrophobicContact CZ3-CE2 4.38Å; W1776-Y1788 HydrophobicContact CZ3-CE1 4.2Å; P1784-Y1788 WeakPolarHBondContact CA-OH 3.06Å; P1784-Y1788 WeakPolarHBondContact CB-OH 3.37Å; P1784-Y1788 WeakPolarHBondContact O-CE2 3.47Å; P1784-Y1788 PolarHBondContact O-OH 3.27Å; Y1788-I1810 HydrophobicContact CD1-CG2 3.63Å; Y1788-I1810 HydrophobicContact CE1-CG2 4.4Å; Y1788-I1810 HydrophobicContact CG-CG2 4.25Å; Y1788-Q1811 WeakPolarHBondContact CA-O 3.37Å; Y1788-Q1811 WeakPolarHBondContact CD1-O 3.38Å; Y1788-L1812 HydrophobicContact CD1-CB 4.47Å; Y1788-L1812 HydrophobicContact CD2-CD1 4.23Å; Y1788-L1812 HydrophobicContact CE1-CB 4.02Å; Y1788-L1812 HydrophobicContact CE1-CD1 4.43Å; Y1788-L1812 HydrophobicContact CE2-CD1 3.78Å |
| 1789 | L | 90.4 | Very high | 69.3 | Low | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 151.7 | 175.1 | -69.7 | 165.4 | 0 | 0 | 0 | 110.7 | V1744 W1745 I1810 Q1811 A1813 Q1820 | V1744-L1789 WeakPolarHBondContact O-CA 3.09Å; W1745-L1789 HydrophobicContact CD2-CD2 3.66Å; W1745-L1789 HydrophobicContact CE3-CD2 3.37Å; W1745-L1789 HydrophobicContact CE3-CG 3.88Å; W1745-L1789 HydrophobicContact CG-CD2 4.27Å; W1745-L1789 HydrophobicContact CH2-CD2 4.28Å; W1745-L1789 HydrophobicContact CH2-CG 4.41Å; W1745-L1789 HydrophobicContact CZ3-CD2 3.71Å; W1745-L1789 HydrophobicContact CZ3-CG 3.77Å; L1789-I1810 WeakPolarHBondContact O-CA 3.24Å; L1789-Q1811 PolarHBondContact N-O 3.28Å; L1789-Q1811 PolarHBondContact O-N 2.89Å; L1789-A1813 HydrophobicContact CD1-CB 3.62Å; L1789-A1813 HydrophobicContact CG-CB 3.94Å; L1789-Q1820 HydrophobicContact CD1-CG 4.05Å; L1789-Q1820 HydrophobicContact CD2-CB 3.72Å; L1789-Q1820 HydrophobicContact CD2-CG 3.66Å |
| 1790 | F | 91.8 | Very high | 67.7 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.8 | 170.4 | -176 | -98.4 | 0 | 0 | 0 | 110.4 | L1712 I1714 A1720 L1723 R1724 L1727 S1743 V1744 T1746 S1809 I1810 | L1712-F1790 HydrophobicContact CD2-CB 4.38Å; I1714-F1790 HydrophobicContact CD1-CD2 3.29Å; I1714-F1790 HydrophobicContact CD1-CE2 3.47Å; I1714-F1790 VanDerWaalsContact CD1-CE2 3.47Å; I1714-F1790 HydrophobicContact CD1-CG 4.06Å; I1714-F1790 HydrophobicContact CD1-CZ 4.37Å; A1720-F1790 HydrophobicContact CB-CE2 4.3Å; L1723-F1790 HydrophobicContact CB-CD1 4.41Å; L1723-F1790 HydrophobicContact CB-CE1 3.55Å; L1723-F1790 HydrophobicContact CB-CZ 3.69Å; R1724-F1790 HydrophobicContact CG-CE1 4.16Å; R1724-F1790 HydrophobicContact CG-CZ 3.74Å; L1727-F1790 HydrophobicContact CD1-CD1 3.71Å; L1727-F1790 HydrophobicContact CD1-CE1 3.97Å; S1743-F1790 VanDerWaalsContact CA-O 3.31Å; S1743-F1790 WeakPolarHBondContact CA-O 3.49Å; S1743-F1790 WeakPolarHBondContact CB-O 3.38Å; V1744-F1790 HydrophobicContact CG2-CB 3.99Å; V1744-F1790 HydrophobicContact CG2-CD1 4.37Å; V1744-F1790 PolarHBondContact N-O 2.54Å; V1744-F1790 VanDerWaalsContact N-O 3.08Å; V1744-F1790 PolarHBondContact O-N 3.23Å; T1746-F1790 HydrophobicContact CG2-CB 3.81Å; F1790-S1809 CarbonylContact C-O 3.52Å; F1790-S1809 WeakPolarHBondContact CA-O 3.35Å; F1790-I1810 HydrophobicContact CD2-CG1 4.17Å |
| 1791 | H | 86.8 | Confident | 66.1 | Low | 44 Ų | 44 | 48 Ų | 48 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135 | -178.7 | -75.3 | -116.5 | 0 | 0 | 0 | 110.9 | S1743 S1809 | S1743-H1791 VanDerWaalsContact CB-CD2 3.41Å; S1743-H1791 WeakPolarHBondContact CB-CD2 3.42Å; S1743-H1791 VanDerWaalsContact CB-NE2 3.35Å; S1743-H1791 WeakPolarHBondContact CB-NE2 3.44Å; S1743-H1791 PolarHBondContact OG-NE2 2.9Å; H1791-S1809 PolarHBondContact N-O 3.25Å; H1791-S1809 WeakPolarHBondContact O-CB 3.19Å |
| 1792 | Q | 79.3 | Confident | 64.7 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -71.8 | -39 | -177.9 | -67.4 | 167.8 | 69.4 | 0 | 0 | 112.5 | L1727 N1728 P1739 I1740 E1742 | L1727-Q1792 HydrophobicContact CB-CG 3.84Å; L1727-Q1792 HydrophobicContact CD1-CG 4.04Å; N1728-Q1792 VanDerWaalsContact CA-OE1 3.3Å; N1728-Q1792 VanDerWaalsContact CB-OE1 3.26Å; N1728-Q1792 PolarHBondContact ND2-OE1 3.03Å; P1739-Q1792 PolarHBondContact O-NE2 2.88Å; I1740-Q1792 HydrophobicContact CG1-CB 4.25Å; E1742-Q1792 PolarHBondContact O-NE2 3.07Å |
| 1793 | A | 71.7 | Confident | 63.5 | Low | 21 Ų | 21 | 60.4 Ų | 60.4 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | trans | -118.2 | 92.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1740 Y1795 T1796 | I1740-A1793 HydrophobicContact CD1-CB 4.12Å; I1740-A1793 HydrophobicContact CG1-CB 3.86Å; A1793-Y1795 VanDerWaalsContact C-N 3.31Å; A1793-Y1795 PolarHBondContact O-N 3.02Å; A1793-T1796 HydrophobicContact CB-CG2 3.84Å; A1793-T1796 PolarHBondContact O-OG1 2.82Å | ||
| 1794 | P | 60.8 | Low | 62.2 | Low | 17 Ų | 17 | 63.7 Ų | 63.7 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -32.5 | -178.3 | 24.4 | -35.5 | 0 | 0 | 0 | 113.9 | G1808 S1809 | P1794-G1808 VanDerWaalsContact CB-C 3.46Å; P1794-G1808 WeakPolarHBondContact CB-O 3.02Å; P1794-S1809 WeakPolarHBondContact CG-OG 3.11Å |
| 1795 | Y | 57.9 | Low | 60.6 | Low | 46 Ų | 46 | 68 Ų | 68 | 18% | 0.18 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 24.1 | -166.9 | -43.5 | -50.8 | 0 | 0 | 0 | 114.1 | N1389 Y1777 A1793 A1797 V1807 | N1389-Y1795 HydrophobicContact CB-CD2 4.36Å; N1389-Y1795 WeakPolarHBondContact ND2-CB 3.44Å; N1389-Y1795 PolarHBondContact ND2-O 2.83Å; N1389-Y1795 PolarHBondContact OD1-O 3.11Å; Y1777-Y1795 HydrophobicContact CD2-CE1 4.17Å; Y1777-Y1795 AromaticContact CE2-CE1 3.75Å; Y1777-Y1795 HydrophobicContact CE2-CE1 3.75Å; Y1777-Y1795 AromaticContact CE2-CZ 3.75Å; Y1777-Y1795 WeakPolarHBondContact CE2-OH 3.41Å; A1793-Y1795 VanDerWaalsContact C-N 3.31Å; A1793-Y1795 PolarHBondContact O-N 3.02Å; Y1795-A1797 PolarHBondContact O-N 2.94Å; Y1795-V1807 WeakPolarHBondContact CE1-O 3.26Å |
| 1796 | T | 49.2 | Very low | 59 | Low | 94 Ų | 94 | 68.5 Ų | 68.5 | 58% | 0.577 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 116.1 | 175.9 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | A1793 L1798 | A1793-T1796 HydrophobicContact CB-CG2 3.84Å; A1793-T1796 PolarHBondContact O-OG1 2.82Å; T1796-L1798 PolarHBondContact O-N 3.17Å |
| 1797 | A | 41.7 | Very low | 57.3 | Low | 79 Ų | 79 | 70 Ų | 70 | 65% | 0.653 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 131.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1795 | Y1795-A1797 PolarHBondContact O-N 2.94Š|
| 1798 | L | 34.7 | Very low | 56.4 | Low | 153 Ų | 153 | 69.9 Ų | 69.9 | 80% | 0.801 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 148.1 | 163.1 | -69.4 | 108.8 | 0 | 0 | 0 | 109.4 | T1796 N1800 | T1796-L1798 PolarHBondContact O-N 3.17Å; L1798-N1800 PolarHBondContact O-N 3Å |
| 1799 | E | 33.7 | Very low | 55.9 | Low | 191 Ų | 191 | 69.9 Ų | 69.9 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 1 | -156.2 | -60.2 | 176.6 | 122.1 | 0 | 0 | 117.7 | N1801 | E1799-N1801 PolarHBondContact O-N 3.46Š|
| 1800 | N | 32 | Very low | 55.7 | Low | 142 Ų | 142 | 69.6 Ų | 69.6 | 76% | 0.759 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 47.8 | -176.4 | -75.7 | -34 | 0 | 0 | 0 | 113.8 | L1798 R1802 | L1798-N1800 PolarHBondContact O-N 3Å; N1800-R1802 PolarHBondContact O-N 2.72Å |
| 1801 | N | 33.9 | Very low | 55.4 | Low | 125 Ų | 125 | 71.5 Ų | 71.5 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 18.7 | 170.9 | -76.8 | -0.1 | 0 | 0 | 0 | 117.5 | E1799 I1803 | E1799-N1801 PolarHBondContact O-N 3.46Å; N1801-I1803 PolarHBondContact O-N 3.28Å |
| 1802 | R | 33.5 | Very low | 55.2 | Low | 208 Ų | 208 | 71.2 Ų | 71.2 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | trans | -83.5 | 108.1 | 179.5 | -75.7 | -179.4 | 179.9 | -152.3 | -6 | 110.4 | N1800 D1804 | N1800-R1802 PolarHBondContact O-N 2.72Å; R1802-D1804 PolarHBondContact O-N 3.06Å | ||
| 1803 | I | 36 | Very low | 55.3 | Low | 101 Ų | 101 | 71.1 Ų | 71.1 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | trans | -68.4 | 116 | 172.9 | -68 | 169.2 | 0 | 0 | 0 | 108.8 | N1801 | N1801-I1803 PolarHBondContact O-N 3.28Š| ||
| 1804 | D | 41.5 | Very low | 55.7 | Low | 88 Ų | 88 | 72.1 Ų | 72.1 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | trans | 53 | 120.4 | 164.9 | -132.3 | -46 | 0 | 0 | 0 | 118.6 | Q1418 R1802 G1806 | Q1418-D1804 PolarHBondContact NE2-OD2 2.89Å; R1802-D1804 PolarHBondContact O-N 3.06Å; D1804-G1806 PolarHBondContact OD1-N 3.49Å | ||
| 1805 | S | 43.8 | Very low | 56.7 | Low | 91 Ų | 91 | 73.9 Ų | 73.9 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | trans | -103.9 | 2.1 | 171.6 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | V1807 | S1805-V1807 WeakPolarHBondContact O-CG2 3.42Å; S1805-V1807 PolarHBondContact O-N 2.89Å | ||
| 1806 | G | 49.3 | Very low | 58.1 | Low | 13 Ų | 13 | 73.4 Ų | 73.4 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | trans | 66 | 8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y1777 K1778 D1804 | Y1777-G1806 WeakPolarHBondContact CA-O 3.06Å; Y1777-G1806 WeakPolarHBondContact CB-O 3.04Å; Y1777-G1806 PolarHBondContact N-O 2.89Å; K1778-G1806 PolarHBondContact N-O 2.03Å; D1804-G1806 PolarHBondContact OD1-N 3.49Å | ||
| 1807 | V | 53.5 | Low | 59.7 | Low | 38 Ų | 38 | 74.4 Ų | 74.4 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | trans | -81.7 | 138.3 | -175 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | Y1795 S1805 Q1811 | Y1795-V1807 WeakPolarHBondContact CE1-O 3.26Å; S1805-V1807 WeakPolarHBondContact O-CG2 3.42Å; S1805-V1807 PolarHBondContact O-N 2.89Å; V1807-Q1811 HydrophobicContact CG1-CG 3.76Å | ||
| 1808 | G | 71.8 | Confident | 61.8 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -76.2 | -170.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1775 P1794 Q1811 | D1775-G1808 VanDerWaalsContact O-CA 3.22Å; D1775-G1808 WeakPolarHBondContact O-CA 3.45Å; P1794-G1808 VanDerWaalsContact CB-C 3.46Å; P1794-G1808 WeakPolarHBondContact CB-O 3.02Å; G1808-Q1811 WeakPolarHBondContact O-CG 3.3Å; G1808-Q1811 PolarHBondContact O-NE2 3.36Å | ||
| 1809 | S | 81.2 | Confident | 64.2 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -79.8 | -33 | 173.6 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | R1724 D1775 F1790 H1791 P1794 Q1811 | R1724-S1809 PolarHBondContact NE-OG 2.78Å; R1724-S1809 PolarHBondContact NH2-OG 2.93Å; D1775-S1809 PolarHBondContact OD1-N 3.04Å; D1775-S1809 WeakPolarHBondContact OD2-CB 3.22Å; D1775-S1809 PolarHBondContact OD2-N 3.35Å; D1775-S1809 PolarHBondContact OD2-OG 3.04Å; F1790-S1809 CarbonylContact C-O 3.52Å; F1790-S1809 WeakPolarHBondContact CA-O 3.35Å; H1791-S1809 PolarHBondContact N-O 3.25Å; H1791-S1809 WeakPolarHBondContact O-CB 3.19Å; P1794-S1809 WeakPolarHBondContact CG-OG 3.11Å; S1809-Q1811 PolarHBondContact O-N 2.93Å |
| 1810 | I | 85.9 | Confident | 66.8 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.5 | 170.5 | -63.7 | 177.4 | 0 | 0 | 0 | 107.8 | I1714 Y1773 D1775 W1776 Y1788 L1789 F1790 | I1714-I1810 HydrophobicContact CD1-CD1 4.1Å; I1714-I1810 HydrophobicContact CD1-CG1 4.23Å; Y1773-I1810 HydrophobicContact CD1-CD1 3.94Å; Y1773-I1810 HydrophobicContact CE1-CD1 4.19Å; D1775-I1810 PolarHBondContact OD1-N 3.38Å; W1776-I1810 HydrophobicContact CZ3-CB 4.47Å; W1776-I1810 HydrophobicContact CZ3-CG2 4.06Å; Y1788-I1810 HydrophobicContact CD1-CG2 3.63Å; Y1788-I1810 HydrophobicContact CE1-CG2 4.4Å; Y1788-I1810 HydrophobicContact CG-CG2 4.25Å; L1789-I1810 WeakPolarHBondContact O-CA 3.24Å; F1790-I1810 HydrophobicContact CD2-CG1 4.17Å |
| 1811 | Q | 84.8 | Confident | 69.7 | Low | 41 Ų | 41 | 57.1 Ų | 57.1 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.3 | -175.4 | -54.1 | -162.6 | -5.3 | 0 | 0 | 111.4 | Y1788 L1789 V1807 G1808 S1809 | Y1788-Q1811 WeakPolarHBondContact CA-O 3.37Å; Y1788-Q1811 WeakPolarHBondContact CD1-O 3.38Å; L1789-Q1811 PolarHBondContact N-O 3.28Å; L1789-Q1811 PolarHBondContact O-N 2.89Å; V1807-Q1811 HydrophobicContact CG1-CG 3.76Å; G1808-Q1811 WeakPolarHBondContact O-CG 3.3Å; G1808-Q1811 PolarHBondContact O-NE2 3.36Å; S1809-Q1811 PolarHBondContact O-N 2.93Å |
| 1812 | L | 83.9 | Confident | 72.3 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127 | 175.2 | -177.5 | 60.3 | 0 | 0 | 0 | 110 | E1269 Y1788 | E1269-L1812 HydrophobicContact CG-CD2 4.44Å; Y1788-L1812 HydrophobicContact CD1-CB 4.47Å; Y1788-L1812 HydrophobicContact CD2-CD1 4.23Å; Y1788-L1812 HydrophobicContact CE1-CB 4.02Å; Y1788-L1812 HydrophobicContact CE1-CD1 4.43Å; Y1788-L1812 HydrophobicContact CE2-CD1 3.78Å |
| 1813 | A | 80.6 | Confident | 75 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | trans | -74.7 | 140.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1745 C1787 L1789 S1815 | W1745-A1813 HydrophobicContact CH2-CB 3.49Å; W1745-A1813 VanDerWaalsContact CH2-CB 3.49Å; W1745-A1813 HydrophobicContact CZ3-CB 3.62Å; C1787-A1813 VanDerWaalsContact O-CB 3.24Å; C1787-A1813 WeakPolarHBondContact O-CB 3.48Å; C1787-A1813 PolarHBondContact O-N 3.27Å; L1789-A1813 HydrophobicContact CD1-CB 3.62Å; L1789-A1813 HydrophobicContact CG-CB 3.94Å; A1813-S1815 PolarHBondContact O-N 3.18Å | ||
| 1814 | S | 79.7 | Confident | 77.7 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -63.3 | -10.1 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1815 | S | 81.5 | Confident | 80 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 38% | 0.378 | 19% | 0.187 | S | C | . | . | trans | -168.3 | 147.6 | 158.9 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | A1813 E1817 T1818 | A1813-S1815 PolarHBondContact O-N 3.18Å; S1815-E1817 PolarHBondContact O-N 2.74Å; S1815-E1817 VanDerWaalsContact O-N 3.14Å; S1815-E1817 PolarHBondContact OG-N 3.11Å; S1815-E1817 VanDerWaalsContact OG-N 3.12Å; S1815-T1818 WeakPolarHBondContact O-CB 3.46Å; S1815-T1818 WeakPolarHBondContact O-CG2 3.32Å; S1815-T1818 PolarHBondContact O-N 2.91Å; S1815-T1818 PolarHBondContact O-OG1 3.45Å | ||
| 1816 | C | 87.1 | Confident | 82.1 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.2 | 166 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | W1692 C1787 | W1692-C1816 HydrophobicContact CB-CB 4.36Å; W1692-C1816 WeakPolarHBondContact CB-O 3.35Å; W1692-C1816 PolarHBondContact N-O 2.95Å; C1787-C1816 HydrophobicContact CB-CB 3.92Å; C1787-C1816 WeakPolarHBondContact CB-SG 3.09Å; C1787-C1816 WeakPolarHBondContact SG-CB 3.36Å; C1787-C1816 CovalentContact SG-SG 2.04Å; C1787-C1816 PolarHBondContact SG-SG 3.22Å |
| 1817 | E | 84.1 | Confident | 83.6 | Confident | 114 Ų | 114 | 32.2 Ų | 32.2 | 53% | 0.533 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.7 | 177.3 | -63.5 | -57.2 | 147.6 | 0 | 0 | 113.8 | N1691 S1815 H1819 | N1691-E1817 PolarHBondContact ND2-OE2 2.75Å; S1815-E1817 PolarHBondContact O-N 2.74Å; S1815-E1817 VanDerWaalsContact O-N 3.14Å; S1815-E1817 PolarHBondContact OG-N 3.11Å; S1815-E1817 VanDerWaalsContact OG-N 3.12Å; E1817-H1819 PolarHBondContact O-N 2.81Å; E1817-H1819 PolarHBondContact O-ND1 2.04Å |
| 1818 | T | 86.2 | Confident | 84.9 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -58.2 | 139.8 | 173.7 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | N1691 W1745 S1815 Q1820 | N1691-T1818 WeakPolarHBondContact CA-O 3.38Å; W1745-T1818 WeakPolarHBondContact CH2-OG1 3.42Å; W1745-T1818 VanDerWaalsContact CZ2-O 3.28Å; W1745-T1818 WeakPolarHBondContact CZ2-O 3.13Å; W1745-T1818 WeakPolarHBondContact CZ2-OG1 3.18Å; S1815-T1818 WeakPolarHBondContact O-CB 3.46Å; S1815-T1818 WeakPolarHBondContact O-CG2 3.32Å; S1815-T1818 PolarHBondContact O-N 2.91Å; S1815-T1818 PolarHBondContact O-OG1 3.45Å; T1818-Q1820 PolarHBondContact O-N 3.37Å |
| 1819 | H | 85.2 | Confident | 85.2 | Confident | 114 Ų | 114 | 32.4 Ų | 32.4 | 53% | 0.528 | 17% | 0.174 | S | C | . | . | trans | -91.7 | 109.4 | -179.9 | -77.5 | 41.3 | 0 | 0 | 0 | 109 | K1689 M1690 E1817 | K1689-H1819 HydrophobicContact CB-CB 3.98Å; K1689-H1819 VanDerWaalsContact CD-O 3.23Å; K1689-H1819 WeakPolarHBondContact CD-O 3.44Å; M1690-H1819 WeakPolarHBondContact O-CA 3.37Å; E1817-H1819 PolarHBondContact O-N 2.81Å; E1817-H1819 PolarHBondContact O-ND1 2.04Å | ||
| 1820 | Q | 88.4 | Confident | 84.6 | Confident | 37 Ų | 37 | 37 Ų | 37 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 168.8 | 179.3 | -63.3 | -68.8 | 21.1 | 0 | 0 | 112.3 | K1689 M1690 W1745 L1789 T1818 | K1689-Q1820 CarbonylContact C-O 3.38Å; K1689-Q1820 VanDerWaalsContact CA-O 3.3Å; K1689-Q1820 WeakPolarHBondContact CA-O 3.42Å; M1690-Q1820 PolarHBondContact N-O 2.63Å; M1690-Q1820 PolarHBondContact O-N 3.07Å; M1690-Q1820 VanDerWaalsContact O-N 3.08Å; W1745-Q1820 HydrophobicContact CD2-CB 4.5Å; W1745-Q1820 HydrophobicContact CG-CB 4.5Å; L1789-Q1820 HydrophobicContact CD1-CG 4.05Å; L1789-Q1820 HydrophobicContact CD2-CB 3.72Å; L1789-Q1820 HydrophobicContact CD2-CG 3.66Å; T1818-Q1820 PolarHBondContact O-N 3.37Å |
| 1821 | F | 91.5 | Very high | 83.4 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 160.8 | 178.9 | -72.3 | -62.5 | 0 | 0 | 0 | 111.7 | H1686 K1689 L1738 E1742 S1743 V1744 W1745 | H1686-F1821 WeakPolarHBondContact O-CE1 3.46Å; K1689-F1821 HydrophobicContact CD-CD2 4.49Å; K1689-F1821 HydrophobicContact CD-CE2 4.36Å; K1689-F1821 HydrophobicContact CD-CZ 4.44Å; K1689-F1821 HydrophobicContact CG-CD1 3.86Å; K1689-F1821 HydrophobicContact CG-CD2 4.32Å; K1689-F1821 HydrophobicContact CG-CE1 3.75Å; K1689-F1821 HydrophobicContact CG-CE2 4.26Å; K1689-F1821 HydrophobicContact CG-CG 4.14Å; K1689-F1821 HydrophobicContact CG-CZ 3.98Å; L1738-F1821 HydrophobicContact CD1-CB 4Å; L1738-F1821 HydrophobicContact CD1-CD2 4.2Å; L1738-F1821 HydrophobicContact CD1-CG 4.25Å; L1738-F1821 HydrophobicContact CD2-CB 4.48Å; L1738-F1821 HydrophobicContact CD2-CD1 4.22Å; L1738-F1821 HydrophobicContact CD2-CD2 3.84Å; L1738-F1821 HydrophobicContact CD2-CE1 4.42Å; L1738-F1821 HydrophobicContact CD2-CE2 4.01Å; L1738-F1821 HydrophobicContact CD2-CG 3.94Å; L1738-F1821 HydrophobicContact CD2-CZ 4.31Å; E1742-F1821 HydrophobicContact CB-CD2 4.1Å; E1742-F1821 HydrophobicContact CB-CE2 4.16Å; E1742-F1821 HydrophobicContact CG-CD2 4.34Å; E1742-F1821 HydrophobicContact CG-CE2 3.9Å; S1743-F1821 PolarHBondContact O-N 2.72Å; V1744-F1821 CarbonylContact C-O 3.59Å; V1744-F1821 VanDerWaalsContact CA-O 3.3Å; V1744-F1821 WeakPolarHBondContact CA-O 3.16Å; V1744-F1821 HydrophobicContact CG1-CB 3.97Å; W1745-F1821 PolarHBondContact N-O 3.05Å |
| 1822 | V | 89.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.8 | -169.7 | 179 | 0 | 0 | 0 | 0 | 110.9 | V1683 F1684 M1690 A1695 L1711 | V1683-V1822 WeakPolarHBondContact CA-O 3.15Å; F1684-V1822 HydrophobicContact CB-CB 4Å; F1684-V1822 HydrophobicContact CB-CG1 3.8Å; F1684-V1822 HydrophobicContact CG-CG1 4.47Å; F1684-V1822 PolarHBondContact N-O 3.12Å; M1690-V1822 HydrophobicContact CE-CG2 3.95Å; M1690-V1822 HydrophobicContact CG-CG2 3.61Å; M1690-V1822 HydrophobicContact SD-CG2 3.91Å; A1695-V1822 HydrophobicContact CB-CB 4.42Å; A1695-V1822 HydrophobicContact CB-CG1 4.05Å; A1695-V1822 HydrophobicContact CB-CG2 3.48Å; A1695-V1822 VanDerWaalsContact CB-CG2 3.48Å; L1711-V1822 HydrophobicContact CD2-CG1 3.9Å |
| 1823 | A | 90.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1712 L1727 V1744 | L1712-A1823 HydrophobicContact CB-CB 4.41Å; L1712-A1823 HydrophobicContact CD2-CB 4.45Å; L1712-A1823 PolarHBondContact N-O 3.3Å; L1727-A1823 HydrophobicContact CD2-CB 4.46Å; V1744-A1823 HydrophobicContact CB-CB 4.28Å; V1744-A1823 HydrophobicContact CG1-CB 4.46Å; V1744-A1823 HydrophobicContact CG2-CB 4.2Å |
| 1824 | C | 90.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 156.4 | 172.8 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | F1657 Y1681 R1682 C1699 V1709 S1710 | F1657-C1824 HydrophobicContact CE1-CB 4.27Å; Y1681-C1824 CarbonylContact C-O 3.58Å; Y1681-C1824 WeakPolarHBondContact CA-O 3Å; R1682-C1824 PolarHBondContact N-O 3.22Å; R1682-C1824 PolarHBondContact O-N 2.9Å; C1699-C1824 WeakPolarHBondContact CA-SG 3.46Å; C1699-C1824 HydrophobicContact CB-CB 3.76Å; C1699-C1824 WeakPolarHBondContact CB-SG 3.48Å; C1699-C1824 WeakPolarHBondContact SG-CA 3.45Å; C1699-C1824 WeakPolarHBondContact SG-CB 3.46Å; C1699-C1824 CovalentContact SG-SG 2.04Å; C1699-C1824 PolarHBondContact SG-SG 3.16Å; V1709-C1824 HydrophobicContact CG1-CB 3.83Å; S1710-C1824 CarbonylContact O-C 3.52Å; S1710-C1824 VanDerWaalsContact O-CA 3.23Å; S1710-C1824 WeakPolarHBondContact O-CA 3.47Å |
| 1825 | Q | 90.2 | Very high | 76 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 161.6 | -179.1 | 65.4 | 172 | 36 | 0 | 0 | 112.5 | M1679 C1680 Y1681 V1709 S1710 L1711 T1713 | M1679-Q1825 HydrophobicContact CE-CB 3.96Å; M1679-Q1825 HydrophobicContact CE-CG 3.9Å; C1680-Q1825 CarbonylContact O-C 3.44Å; C1680-Q1825 WeakPolarHBondContact O-CA 3.35Å; Y1681-Q1825 HydrophobicContact CD1-CB 3.92Å; Y1681-Q1825 HydrophobicContact CE1-CB 4.3Å; V1709-Q1825 WeakPolarHBondContact CA-O 3.45Å; V1709-Q1825 WeakPolarHBondContact CG1-O 3.49Å; S1710-Q1825 PolarHBondContact N-O 3.19Å; S1710-Q1825 PolarHBondContact O-N 3.46Å; S1710-Q1825 VanDerWaalsContact OG-CG 3.24Å; S1710-Q1825 WeakPolarHBondContact OG-CG 3.5Å; S1710-Q1825 PolarHBondContact OG-NE2 3.14Å; S1710-Q1825 VanDerWaalsContact OG-NE2 3.07Å; L1711-Q1825 WeakPolarHBondContact O-CG 3.28Å; T1713-Q1825 VanDerWaalsContact N-CD 3.33Å; T1713-Q1825 PolarHBondContact O-OE1 3.42Å; T1713-Q1825 PolarHBondContact OG1-NE2 2.87Å; T1713-Q1825 PolarHBondContact OG1-OE1 3.28Å |
| 1826 | T | 87.5 | Confident | 73.5 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 165.8 | 172 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | P1654 F1657 C1680 Y1707 N1708 | P1654-T1826 HydrophobicContact CG-CG2 3.93Å; F1657-T1826 HydrophobicContact CD1-CG2 3.97Å; F1657-T1826 HydrophobicContact CE1-CG2 4.14Å; F1657-T1826 HydrophobicContact CG-CG2 4.23Å; C1680-T1826 HydrophobicContact CB-CG2 3.89Å; C1680-T1826 WeakPolarHBondContact CB-O 2.94Å; C1680-T1826 PolarHBondContact N-O 2.97Å; C1680-T1826 PolarHBondContact O-N 3.01Å; Y1707-T1826 HydrophobicContact CD2-CG2 4.38Å; N1708-T1826 WeakPolarHBondContact O-CB 3.37Å; N1708-T1826 PolarHBondContact O-OG1 3.02Å |
| 1827 | L | 82.5 | Confident | 71 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141.9 | 175.9 | -65.9 | 161.7 | 0 | 0 | 0 | 110.2 | Q1677 M1679 | Q1677-L1827 HydrophobicContact CB-CD2 4.1Å; M1679-L1827 HydrophobicContact SD-CD2 3.61Å; M1679-L1827 HydrophobicContact SD-CG 4.33Å |
| 1828 | A | 79.5 | Confident | 68.8 | Low | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 137.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1651 L1659 P1678 C1680 | F1651-A1828 HydrophobicContact CB-CB 3.93Å; F1651-A1828 HydrophobicContact CD1-CB 4.3Å; F1651-A1828 HydrophobicContact CG-CB 4.49Å; L1659-A1828 HydrophobicContact CD1-CB 3.77Å; P1678-A1828 HydrophobicContact CG-CB 3.98Å; P1678-A1828 WeakPolarHBondContact O-CB 3.43Å; P1678-A1828 PolarHBondContact O-N 3.23Å; C1680-A1828 VanDerWaalsContact SG-CB 3.56Å |
| 1829 | L | 78.4 | Confident | 66.3 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.6 | -178.5 | -64.2 | 170.9 | 0 | 0 | 0 | 110.3 | F1651 Y1652 P1654 Y1707 | F1651-L1829 CarbonylContact C-O 3.56Å; F1651-L1829 VanDerWaalsContact CA-O 3.26Å; F1651-L1829 WeakPolarHBondContact CA-O 3.17Å; Y1652-L1829 HydrophobicContact CD1-CB 4.23Å; Y1652-L1829 WeakPolarHBondContact CD1-O 3.11Å; Y1652-L1829 HydrophobicContact CD2-CB 4.21Å; Y1652-L1829 HydrophobicContact CD2-CD1 4.48Å; Y1652-L1829 HydrophobicContact CE1-CB 3.75Å; Y1652-L1829 WeakPolarHBondContact CE1-O 3.44Å; Y1652-L1829 HydrophobicContact CE2-CB 3.73Å; Y1652-L1829 HydrophobicContact CE2-CD1 3.67Å; Y1652-L1829 HydrophobicContact CE2-CG 4.33Å; Y1652-L1829 HydrophobicContact CG-CB 4.44Å; Y1652-L1829 VanDerWaalsContact CZ-CB 3.47Å; Y1652-L1829 PolarHBondContact N-O 2.82Å; Y1652-L1829 PolarHBondContact O-N 3.09Å; P1654-L1829 HydrophobicContact CG-CD1 4.3Å; Y1707-L1829 HydrophobicContact CD1-CD1 4.19Å |
| 1830 | M | 68.4 | Low | 63.5 | Low | 96 Ų | 96 | 68.6 Ų | 68.6 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 142.6 | 173.6 | -72.6 | -175.9 | 175.7 | 0 | 0 | 111.4 | I1650 F1651 D1832 | I1650-M1830 WeakPolarHBondContact O-CA 3.33Å; F1651-M1830 HydrophobicContact CD1-CG 3.77Å; F1651-M1830 HydrophobicContact CE1-CE 3.44Å; F1651-M1830 VanDerWaalsContact CE1-CE 3.44Å; F1651-M1830 HydrophobicContact CE1-CG 3.54Å; F1651-M1830 HydrophobicContact CE1-SD 4.34Å; F1651-M1830 HydrophobicContact CZ-CE 3.69Å; F1651-M1830 HydrophobicContact CZ-CG 4.43Å; M1830-D1832 PolarHBondContact O-N 3.09Å |
| 1831 | N | 61.7 | Low | 60.7 | Low | 51 Ų | 51 | 75.5 Ų | 75.5 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -70.1 | 111.3 | 170.1 | -88 | -60.2 | 0 | 0 | 0 | 111.2 | E1649 I1650 T1833 S1834 | E1649-N1831 PolarHBondContact O-ND2 3.49Å; I1650-N1831 PolarHBondContact O-N 3.11Å; N1831-T1833 PolarHBondContact O-N 3.18Å; N1831-S1834 PolarHBondContact O-N 3.01Å | ||
| 1832 | D | 47.6 | Very low | 57.7 | Low | 122 Ų | 122 | 85.8 Ų | 85.8 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64.2 | -15.8 | -167.7 | -147.1 | 0.1 | 0 | 0 | 0 | 114.4 | M1830 S1834 S1835 | M1830-D1832 PolarHBondContact O-N 3.09Å; D1832-S1834 PolarHBondContact O-N 2.93Å; D1832-S1834 VanDerWaalsContact O-N 3.09Å; D1832-S1835 PolarHBondContact O-N 3.45Å; D1832-S1835 PolarHBondContact O-OG 2.95Å; D1832-S1835 WeakPolarHBondContact OD1-CB 3.2Å; D1832-S1835 PolarHBondContact OD1-OG 3.04Å |
| 1833 | T | 45.6 | Very low | 54.6 | Low | 132 Ų | 132 | 93.7 Ų | 93.7 | 81% | 0.81 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -59.9 | -17.7 | 169.7 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | N1831 | N1831-T1833 PolarHBondContact O-N 3.18Š|
| 1834 | S | 39.8 | Very low | 51.6 | Low | 58 Ų | 58 | 100.1 Ų | 100.1 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -91.7 | -14.4 | 173.3 | -63.2 | 0 | 0 | 0 | 0 | 114.5 | N1831 D1832 | N1831-S1834 PolarHBondContact O-N 3.01Å; D1832-S1834 PolarHBondContact O-N 2.93Å; D1832-S1834 VanDerWaalsContact O-N 3.09Å |
| 1835 | S | 39.8 | Very low | 48.6 | Very low | 53 Ų | 53 | 106.1 Ų | 106.1 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -74 | -31 | -174.1 | 73.3 | 0 | 0 | 0 | 0 | 112.8 | D1832 L1837 L1838 | D1832-S1835 PolarHBondContact O-N 3.45Å; D1832-S1835 PolarHBondContact O-OG 2.95Å; D1832-S1835 WeakPolarHBondContact OD1-CB 3.2Å; D1832-S1835 PolarHBondContact OD1-OG 3.04Å; S1835-L1837 PolarHBondContact O-N 3.16Å; S1835-L1838 PolarHBondContact O-N 2.93Å |
| 1836 | K | 29.9 | Very low | 45.5 | Very low | 138 Ų | 138 | 112 Ų | 112 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -60.2 | -16.2 | 179.2 | -75.4 | -172.5 | 175.1 | -179.4 | 0 | 115.1 | L1838 | K1836-L1838 VanDerWaalsContact C-N 3.33Š|
| 1837 | L | 34.7 | Very low | 42.6 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -80.5 | -9.6 | 174.1 | -116.6 | 79.5 | 0 | 0 | 0 | 114 | S1835 | S1835-L1837 PolarHBondContact O-N 3.16Š|
| 1838 | L | 38 | Very low | 39.8 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -110.9 | -1.7 | -164.7 | -73.2 | 162 | 0 | 0 | 0 | 115.3 | S1835 K1836 | S1835-L1838 PolarHBondContact O-N 2.93Å; K1836-L1838 VanDerWaalsContact C-N 3.33Å |
| 1839 | S | 32 | Very low | 37.3 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -92.1 | -7.2 | -170.5 | 56.3 | 0 | 0 | 0 | 0 | 116.1 | H1841 | S1839-H1841 VanDerWaalsContact C-N 3.29Å; S1839-H1841 PolarHBondContact O-N 2.83Å; S1839-H1841 VanDerWaalsContact O-N 3.14Å | ||
| 1840 | Y | 26.5 | Very low | 34.7 | Very low | 215 Ų | 215 | 127.6 Ų | 127.6 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -79.2 | 6.9 | -165.6 | -141.3 | -95.5 | 0 | 0 | 0 | 116.5 | ||
| 1841 | H | 30.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | trans | -132.2 | 75 | 177.8 | -81.3 | -65.2 | 0 | 0 | 0 | 113.3 | S1839 | S1839-H1841 VanDerWaalsContact C-N 3.29Å; S1839-H1841 PolarHBondContact O-N 2.83Å; S1839-H1841 VanDerWaalsContact O-N 3.14Å | ||
| 1842 | R | 28 | Very low | 30.8 | Very low | 233 Ų | 233 | 132.7 Ų | 132.7 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -144.4 | 84.3 | 162.8 | -72.5 | -167.9 | -178.6 | 178.2 | 2.3 | 112 | ||||
| 1843 | N | 25.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 89% | 0.893 | 72% | 0.723 | S | S | * | * | trans | -120.5 | 90.1 | 171.3 | -86.2 | -6.7 | 0 | 0 | 0 | 111.1 | ||||
| 1844 | T | 27.1 | Very low | 28.7 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | -154 | 143.1 | 159.5 | 22 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1845 | P | 28.4 | Very low | 28 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -81.9 | 159 | -160.7 | -15.2 | 32.6 | 0 | 0 | 0 | 115.6 | V1847 | P1845-V1847 PolarHBondContact O-N 3.16Š| ||
| 1846 | N | 24.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -65.8 | 123.4 | 179.6 | -64.8 | -56.8 | 0 | 0 | 0 | 112.7 | ||||
| 1847 | V | 25.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -107.3 | 104.2 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | P1845 V1849 | P1845-V1847 PolarHBondContact O-N 3.16Å; V1847-V1849 HydrophobicContact CG1-CG2 4.25Å; V1847-V1849 PolarHBondContact O-N 2.73Å; V1847-V1849 VanDerWaalsContact O-N 3.14Å | ||
| 1848 | N | 23.9 | Very low | 26.7 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -76.1 | 99.2 | 178.7 | -75.2 | -16.4 | 0 | 0 | 0 | 110.9 | ||||
| 1849 | V | 27.3 | Very low | 26.3 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 51% | 0.509 | 75% | 0.75 | S | S | . | * | trans | -114.2 | 134 | 161.8 | 174.1 | 0 | 0 | 0 | 0 | 107.4 | V1847 L1853 | V1847-V1849 HydrophobicContact CG1-CG2 4.25Å; V1847-V1849 PolarHBondContact O-N 2.73Å; V1847-V1849 VanDerWaalsContact O-N 3.14Å; V1849-L1853 HydrophobicContact CG1-CD1 4.39Å | ||
| 1850 | P | 22.8 | Very low | 26.4 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | trans | -62.3 | 161.8 | -173.2 | 23.3 | -34.2 | 0 | 0 | 0 | 113.9 | T1852 | P1850-T1852 VanDerWaalsContact C-N 3.31Å; P1850-T1852 PolarHBondContact O-N 3.34Å | ||
| 1851 | S | 26.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -67.4 | 70.4 | -163.9 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1852 | T | 23.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | trans | -136.4 | 40 | 165.6 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | P1850 | P1850-T1852 VanDerWaalsContact C-N 3.31Å; P1850-T1852 PolarHBondContact O-N 3.34Å | ||
| 1853 | L | 22.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 119 Ų | 119 | 64% | 0.644 | 67% | 0.669 | S | S | * | * | trans | -116.4 | 50.7 | -161.9 | -154.4 | 81.6 | 0 | 0 | 0 | 114.4 | V1849 | V1849-L1853 HydrophobicContact CG1-CD1 4.39Š| ||
| 1854 | H | 27.3 | Very low | 29.7 | Very low | 189 Ų | 189 | 115.9 Ų | 115.9 | 88% | 0.875 | 65% | 0.653 | S | S | * | * | trans | -124.1 | 46.4 | 169.6 | -88.5 | 8.9 | 0 | 0 | 0 | 112.3 | ||||
| 1855 | H | 24.1 | Very low | 30.6 | Very low | 184 Ų | 184 | 112.6 Ų | 112.6 | 85% | 0.852 | 63% | 0.633 | S | S | * | * | trans | -107.1 | 124.4 | 154.1 | -74.7 | -7.9 | 0 | 0 | 0 | 109.3 | ||||
| 1856 | Q | 26.9 | Very low | 31 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | trans | -52 | 153.5 | 166.6 | -64.1 | 166.7 | -22.7 | 0 | 0 | 109.1 | V1858 | Q1856-V1858 PolarHBondContact O-N 3.26Å; Q1856-V1858 VanDerWaalsContact O-N 3.15Å | ||
| 1857 | P | 24.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -50.9 | 127.8 | 169.6 | 23.3 | -33.8 | 0 | 0 | 0 | 109.2 | R1859 | P1857-R1859 PolarHBondContact O-N 2.88Š|
| 1858 | V | 24.3 | Very low | 32 | Very low | 145 Ų | 145 | 108.9 Ų | 108.9 | 88% | 0.879 | 60% | 0.6 | S | S | * | * | trans | -59 | 109.9 | -169.6 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | Q1856 | Q1856-V1858 PolarHBondContact O-N 3.26Å; Q1856-V1858 VanDerWaalsContact O-N 3.15Å | ||
| 1859 | R | 31.2 | Very low | 32.6 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 30% | 0.302 | 59% | 0.586 | S | S | . | * | trans | -73.3 | 136.8 | -178.9 | -67.7 | -177.2 | 175.5 | -165.8 | -16.2 | 109.7 | P1857 E1879 | P1857-R1859 PolarHBondContact O-N 2.88Å; R1859-E1879 VanDerWaalsContact CD-OE2 3.31Å; R1859-E1879 WeakPolarHBondContact CD-OE2 3.41Å; R1859-E1879 IonicContact CZ-OE1 2.81Å; R1859-E1879 VanDerWaalsContact CZ-OE1 3.24Å; R1859-E1879 IonicContact CZ-OE2 2.88Å; R1859-E1879 IonicContact NE-OE2 3.03Å; R1859-E1879 PolarHBondContact NE-OE2 3.17Å; R1859-E1879 VanDerWaalsContact NE-OE2 3.07Å; R1859-E1879 IonicContact NH1-OE1 2.69Å; R1859-E1879 IonicContact NH1-OE2 3.07Å; R1859-E1879 PolarHBondContact NH1-OE2 2.84Å; R1859-E1879 VanDerWaalsContact NH2-CD 3.29Å; R1859-E1879 IonicContact NH2-OE1 3.3Å; R1859-E1879 PolarHBondContact NH2-OE1 2.9Å; R1859-E1879 IonicContact NH2-OE2 3.7Å; R1859-E1879 PolarHBondContact NH2-OE2 3.35Å | ||
| 1860 | P | 34 | Very low | 33.2 | Very low | 99 Ų | 99 | 107.8 Ų | 107.8 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | trans | -77.8 | 135.7 | 170.2 | 31.8 | -32.7 | 0 | 0 | 0 | 110.6 | C1862 | P1860-C1862 PolarHBondContact O-N 3.08Š| ||
| 1861 | D | 42.4 | Very low | 33.6 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | trans | -78.6 | 59.3 | -176.9 | -57.6 | -68.8 | 0 | 0 | 0 | 112.8 | I1882 | D1861-I1882 HydrophobicContact CB-CD1 4.31Å; D1861-I1882 HydrophobicContact CB-CG1 4.3Å | ||
| 1862 | C | 45.5 | Very low | 34 | Very low | 29 Ų | 29 | 110 Ų | 110 | 20% | 0.196 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -138 | 152.9 | -166.1 | 80.4 | 0 | 0 | 0 | 0 | 118.3 | P1860 I1965 C1967 | P1860-C1862 PolarHBondContact O-N 3.08Å; C1862-I1965 CarbonylContact C-O 3.49Å; C1862-I1965 WeakPolarHBondContact CA-O 3.31Å; C1862-I1965 WeakPolarHBondContact CB-O 3.4Å; C1862-C1967 HydrophobicContact CB-CB 3.87Å; C1862-C1967 WeakPolarHBondContact CB-SG 3.31Å; C1862-C1967 WeakPolarHBondContact SG-CA 3.42Å; C1862-C1967 WeakPolarHBondContact SG-CB 3.43Å; C1862-C1967 CovalentContact SG-SG 2.04Å; C1862-C1967 PolarHBondContact SG-SG 2.89Å |
| 1863 | F | 46.4 | Very low | 34.3 | Very low | 48 Ų | 48 | 111.7 Ų | 111.7 | 21% | 0.211 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 160.2 | -172.9 | 170.9 | -112.3 | 0 | 0 | 0 | 113.3 | P1865 F1948 L1964 I1965 Q1966 C1967 | F1863-P1865 HydrophobicContact CD1-CB 4.42Å; F1863-P1865 HydrophobicContact CE1-CB 3.78Å; F1863-P1865 HydrophobicContact CZ-CB 4.48Å; F1863-F1948 HydrophobicContact CD2-CE2 4.44Å; F1863-F1948 HydrophobicContact CD2-CZ 4.48Å; F1863-F1948 HydrophobicContact CE1-CD2 4.33Å; F1863-F1948 AromaticContact CE1-CE2 3.83Å; F1863-F1948 HydrophobicContact CE1-CE2 3.83Å; F1863-F1948 AromaticContact CE2-CE2 3.75Å; F1863-F1948 HydrophobicContact CE2-CE2 3.75Å; F1863-F1948 AromaticContact CE2-CZ 3.83Å; F1863-F1948 HydrophobicContact CE2-CZ 3.83Å; F1863-F1948 HydrophobicContact CZ-CD2 4.33Å; F1863-F1948 AromaticContact CZ-CE2 3.41Å; F1863-F1948 HydrophobicContact CZ-CE2 3.41Å; F1863-F1948 VanDerWaalsContact CZ-CE2 3.41Å; F1863-F1948 AromaticContact CZ-CZ 3.96Å; F1863-F1948 HydrophobicContact CZ-CZ 3.96Å; F1863-L1964 HydrophobicContact CB-CB 4.15Å; F1863-L1964 HydrophobicContact CB-CD1 4.03Å; F1863-L1964 HydrophobicContact CD1-CD1 3.86Å; F1863-L1964 HydrophobicContact CD2-CD1 4.48Å; F1863-L1964 HydrophobicContact CE1-CD1 4.49Å; F1863-L1964 HydrophobicContact CG-CD1 3.86Å; F1863-I1965 PolarHBondContact N-O 3.45Å; F1863-Q1966 WeakPolarHBondContact O-CA 3.25Å; F1863-C1967 PolarHBondContact O-N 2.96Å; F1863-C1967 VanDerWaalsContact O-N 3.08Å |
| 1864 | N | 46.1 | Very low | 34.9 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | trans | -123 | 106.8 | 177.5 | -179 | 9.4 | 0 | 0 | 0 | 111.8 | K1866 | N1864-K1866 VanDerWaalsContact C-N 3.34Å; N1864-K1866 PolarHBondContact O-N 2.98Å | ||
| 1865 | P | 45 | Very low | 35.1 | Very low | 65 Ų | 65 | 112.7 Ų | 112.7 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | trans | -79.5 | 4.4 | -170.2 | 30.8 | -36.6 | 0 | 0 | 0 | 116.8 | F1863 I1867 Q1966 | F1863-P1865 HydrophobicContact CD1-CB 4.42Å; F1863-P1865 HydrophobicContact CE1-CB 3.78Å; F1863-P1865 HydrophobicContact CZ-CB 4.48Å; P1865-I1867 VanDerWaalsContact C-N 3.31Å; P1865-I1867 PolarHBondContact O-N 3.23Å; P1865-I1867 VanDerWaalsContact O-N 3.08Å; P1865-Q1966 HydrophobicContact CG-CG 4.35Å | ||
| 1866 | K | 36.6 | Very low | 35.6 | Very low | 136 Ų | 136 | 108 Ų | 108 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | trans | -85.9 | 56.2 | -176.6 | -78.7 | -148.3 | 164.3 | -148.5 | 0 | 114.1 | D141 N1864 | D141-K1866 PolarHBondContact O-NZ 2.9Å; N1864-K1866 VanDerWaalsContact C-N 3.34Å; N1864-K1866 PolarHBondContact O-N 2.98Å | ||
| 1867 | I | 35.1 | Very low | 35.8 | Very low | 60 Ų | 60 | 109.1 Ų | 109.1 | 31% | 0.308 | 58% | 0.578 | S | S | . | * | trans | -132.5 | 116.6 | 175.3 | -54.8 | 170.7 | 0 | 0 | 0 | 109.6 | P1865 F1872 V1876 | P1865-I1867 VanDerWaalsContact C-N 3.31Å; P1865-I1867 PolarHBondContact O-N 3.23Å; P1865-I1867 VanDerWaalsContact O-N 3.08Å; I1867-F1872 HydrophobicContact CG2-CD1 4.45Å; I1867-F1872 HydrophobicContact CG2-CE1 3.85Å; I1867-F1872 HydrophobicContact CG2-CE2 4.14Å; I1867-F1872 HydrophobicContact CG2-CZ 3.68Å; I1867-V1876 HydrophobicContact CD1-CB 4.31Å; I1867-V1876 HydrophobicContact CD1-CG1 3.58Å; I1867-V1876 HydrophobicContact CD1-CG2 3.89Å | ||
| 1868 | T | 36.5 | Very low | 36.5 | Very low | 110 Ų | 110 | 107.2 Ų | 107.2 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | trans | -106 | 139.3 | 170.3 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | S1870 K1871 | T1868-S1870 PolarHBondContact O-N 2.87Å; T1868-K1871 PolarHBondContact O-N 2.9Å | ||
| 1869 | M | 37.5 | Very low | 37.4 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.4 | -161.8 | -68.8 | -148.9 | 75.3 | 0 | 0 | 116.6 | F1872 T1946 | M1869-F1872 HydrophobicContact CB-CE2 4.42Å; M1869-F1872 HydrophobicContact CE-CE2 3.83Å; M1869-F1872 HydrophobicContact CE-CZ 4.47Å; M1869-F1872 HydrophobicContact CG-CE2 4.27Å; M1869-T1946 HydrophobicContact CG-CG2 4.34Å; M1869-T1946 HydrophobicContact SD-CG2 3.61Å |
| 1870 | S | 38.2 | Very low | 38.2 | Very low | 107 Ų | 107 | 100.1 Ų | 100.1 | 75% | 0.748 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.2 | -179.4 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | T1868 | T1868-S1870 PolarHBondContact O-N 2.87Š|
| 1871 | K | 32.1 | Very low | 39.1 | Very low | 176 Ų | 176 | 99.9 Ų | 99.9 | 77% | 0.765 | 51% | 0.506 | S | S | * | . | trans | -146.2 | 85.1 | 179.8 | -67.4 | -169.8 | 179.4 | -177.6 | 0 | 113.6 | T1868 E1873 | T1868-K1871 PolarHBondContact O-N 2.9Å; K1871-E1873 PolarHBondContact O-N 3.36Å | ||
| 1872 | F | 33.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 96.5 Ų | 96.5 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | trans | -88.6 | 90.2 | 170.6 | -89.2 | -88.3 | 0 | 0 | 0 | 112.4 | I1867 M1869 H1874 | I1867-F1872 HydrophobicContact CG2-CD1 4.45Å; I1867-F1872 HydrophobicContact CG2-CE1 3.85Å; I1867-F1872 HydrophobicContact CG2-CE2 4.14Å; I1867-F1872 HydrophobicContact CG2-CZ 3.68Å; M1869-F1872 HydrophobicContact CB-CE2 4.42Å; M1869-F1872 HydrophobicContact CE-CE2 3.83Å; M1869-F1872 HydrophobicContact CE-CZ 4.47Å; M1869-F1872 HydrophobicContact CG-CE2 4.27Å; F1872-H1874 PolarHBondContact O-ND1 3.34Å; F1872-H1874 VanDerWaalsContact O-ND1 3.13Å | ||
| 1873 | E | 29.4 | Very low | 41.2 | Very low | 168 Ų | 168 | 97.2 Ų | 97.2 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | trans | -67.8 | 130.9 | 163.9 | -66.4 | -173.5 | 160.1 | 0 | 0 | 109.9 | K1871 N1875 | K1871-E1873 PolarHBondContact O-N 3.36Å; E1873-N1875 PolarHBondContact O-N 2.68Å | ||
| 1874 | H | 35.2 | Very low | 42.5 | Very low | 183 Ų | 183 | 99.1 Ų | 99.1 | 85% | 0.847 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 32.8 | -162.1 | -64.1 | 10 | 0 | 0 | 0 | 116.3 | F1872 | F1872-H1874 PolarHBondContact O-ND1 3.34Å; F1872-H1874 VanDerWaalsContact O-ND1 3.13Å |
| 1875 | N | 33 | Very low | 44 | Very low | 150 Ų | 150 | 94.3 Ų | 94.3 | 80% | 0.802 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 15.7 | -177 | -79.4 | -62.2 | 0 | 0 | 0 | 114.7 | E1873 I1877 | E1873-N1875 PolarHBondContact O-N 2.68Å; N1875-I1877 PolarHBondContact O-N 2.73Å; N1875-I1877 VanDerWaalsContact O-N 3.11Å |
| 1876 | V | 34.5 | Very low | 45.4 | Very low | 86 Ų | 86 | 95.1 Ų | 95.1 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | trans | -79.8 | 91.6 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | I1867 Y1878 | I1867-V1876 HydrophobicContact CD1-CB 4.31Å; I1867-V1876 HydrophobicContact CD1-CG1 3.58Å; I1867-V1876 HydrophobicContact CD1-CG2 3.89Å; V1876-Y1878 PolarHBondContact O-N 3.23Å | ||
| 1877 | I | 30.6 | Very low | 47.3 | Very low | 140 Ų | 140 | 92.5 Ų | 92.5 | 72% | 0.718 | 47% | 0.472 | S | S | * | . | trans | -70.4 | 114.1 | 173 | -58.7 | 174.6 | 0 | 0 | 0 | 108.9 | N1875 E1879 | N1875-I1877 PolarHBondContact O-N 2.73Å; N1875-I1877 VanDerWaalsContact O-N 3.11Å; I1877-E1879 HydrophobicContact CG2-CG 4.13Å | ||
| 1878 | Y | 39.6 | Very low | 49.2 | Very low | 81 Ų | 81 | 91.8 Ų | 91.8 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | trans | -90.3 | 104.8 | -179.8 | -176.4 | -100.7 | 0 | 0 | 0 | 111.2 | V1876 C1935 F1948 | V1876-Y1878 PolarHBondContact O-N 3.23Å; Y1878-C1935 PolarHBondContact OH-O 3.3Å; Y1878-F1948 HydrophobicContact CE2-CD1 4.48Å; Y1878-F1948 AromaticContact CE2-CE1 3.51Å; Y1878-F1948 HydrophobicContact CE2-CE1 3.51Å; Y1878-F1948 AromaticContact CE2-CZ 3.92Å; Y1878-F1948 HydrophobicContact CE2-CZ 3.92Å; Y1878-F1948 AromaticContact CZ-CE1 3.74Å; Y1878-F1948 WeakPolarHBondContact OH-CD1 3.36Å; Y1878-F1948 VanDerWaalsContact OH-CE1 3.23Å; Y1878-F1948 WeakPolarHBondContact OH-CE1 3.49Å | ||
| 1879 | E | 43.2 | Very low | 51.2 | Low | 69 Ų | 69 | 92.3 Ų | 92.3 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | trans | -124.6 | 109 | 174.1 | -69.6 | -162.2 | 171.6 | 0 | 0 | 111.9 | R1859 I1877 | R1859-E1879 VanDerWaalsContact CD-OE2 3.31Å; R1859-E1879 WeakPolarHBondContact CD-OE2 3.41Å; R1859-E1879 IonicContact CZ-OE1 2.81Å; R1859-E1879 VanDerWaalsContact CZ-OE1 3.24Å; R1859-E1879 IonicContact CZ-OE2 2.88Å; R1859-E1879 IonicContact NE-OE2 3.03Å; R1859-E1879 PolarHBondContact NE-OE2 3.17Å; R1859-E1879 VanDerWaalsContact NE-OE2 3.07Å; R1859-E1879 IonicContact NH1-OE1 2.69Å; R1859-E1879 IonicContact NH1-OE2 3.07Å; R1859-E1879 PolarHBondContact NH1-OE2 2.84Å; R1859-E1879 VanDerWaalsContact NH2-CD 3.29Å; R1859-E1879 IonicContact NH2-OE1 3.3Å; R1859-E1879 PolarHBondContact NH2-OE1 2.9Å; R1859-E1879 IonicContact NH2-OE2 3.7Å; R1859-E1879 PolarHBondContact NH2-OE2 3.35Å; I1877-E1879 HydrophobicContact CG2-CG 4.13Å | ||
| 1880 | T | 47.1 | Very low | 53.1 | Low | 7 Ų | 7 | 91.5 Ų | 91.5 | 4% | 0.043 | 46% | 0.464 | C | S | . | . | trans | -133.8 | 141.6 | 154.4 | 96.1 | 0 | 0 | 0 | 0 | 108.5 | I1882 L1964 | T1880-I1882 VanDerWaalsContact C-N 3.29Å; T1880-I1882 HydrophobicContact CG2-CD1 4.47Å; T1880-I1882 PolarHBondContact OG1-N 2.94Å; T1880-L1964 HydrophobicContact CG2-CD2 4.22Å | ||
| 1881 | K | 53.3 | Low | 54.9 | Low | 94 Ų | 94 | 86.4 Ų | 86.4 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | trans | -99 | 22.7 | 165.7 | -68.9 | -172.7 | 178 | -179 | 0 | 110.8 | M1883 | K1881-M1883 PolarHBondContact O-N 3.2Å; K1881-M1883 VanDerWaalsContact O-N 3.12Å | ||
| 1882 | I | 63 | Low | 57.2 | Low | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | trans | -77.3 | 109.6 | -169.7 | -60.6 | 170.6 | 0 | 0 | 0 | 107.9 | D1861 T1880 Q1884 C1935 C1962 L1964 | D1861-I1882 HydrophobicContact CB-CD1 4.31Å; D1861-I1882 HydrophobicContact CB-CG1 4.3Å; T1880-I1882 VanDerWaalsContact C-N 3.29Å; T1880-I1882 HydrophobicContact CG2-CD1 4.47Å; T1880-I1882 PolarHBondContact OG1-N 2.94Å; I1882-Q1884 WeakPolarHBondContact CG2-O 3.43Å; I1882-C1935 PolarHBondContact O-N 3.2Å; I1882-C1935 VanDerWaalsContact O-N 3.13Å; I1882-C1935 PolarHBondContact O-SG 3Å; I1882-C1962 HydrophobicContact CG2-CB 4.47Å; I1882-L1964 HydrophobicContact CD1-CD2 3.59Å | ||
| 1883 | M | 69 | Low | 59.5 | Low | 44 Ų | 44 | 74.1 Ų | 74.1 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | trans | -106.7 | 23.3 | 175.1 | -61.8 | 161.5 | 161.2 | 0 | 0 | 110.3 | N1760 K1881 Q1890 C1891 Y1934 | N1760-M1883 WeakPolarHBondContact OD1-CE 3.45Å; N1760-M1883 PolarHBondContact OD1-SD 2.92Å; K1881-M1883 PolarHBondContact O-N 3.2Å; K1881-M1883 VanDerWaalsContact O-N 3.12Å; M1883-Q1890 CarbonylContact O-C 3.56Å; M1883-Q1890 WeakPolarHBondContact O-CA 3.47Å; M1883-Q1890 PolarHBondContact O-OE1 3.4Å; M1883-C1891 PolarHBondContact O-N 2.96Å; M1883-Y1934 HydrophobicContact CE-CD1 4.37Å; M1883-Y1934 HydrophobicContact CE-CE1 3.51Å; M1883-Y1934 HydrophobicContact CG-CD1 3.99Å; M1883-Y1934 HydrophobicContact CG-CE1 3.95Å; M1883-Y1934 HydrophobicContact SD-CE1 4.48Å | ||
| 1884 | Q | 73.5 | Confident | 61.5 | Low | 88 Ų | 88 | 67.5 Ų | 67.5 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -139.6 | 141.2 | -175.3 | -68.2 | -175.9 | -2.5 | 0 | 0 | 113.5 | I1882 R1889 | I1882-Q1884 WeakPolarHBondContact CG2-O 3.43Å; Q1884-R1889 CarbonylContact C-O 3.6Å; Q1884-R1889 WeakPolarHBondContact CA-O 3.49Å |
| 1885 | S | 77.9 | Confident | 63.3 | Low | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 174.9 | 178.7 | 78.3 | 0 | 0 | 0 | 0 | 113.6 | T1887 G1888 R1889 E1960 N1961 | S1885-T1887 PolarHBondContact O-N 2.87Å; S1885-T1887 VanDerWaalsContact O-N 3.15Å; S1885-T1887 PolarHBondContact OG-N 3.24Å; S1885-T1887 VanDerWaalsContact OG-N 3.16Å; S1885-T1887 PolarHBondContact OG-OG1 2.93Å; S1885-G1888 PolarHBondContact O-N 3.09Å; S1885-R1889 PolarHBondContact N-O 3Å; S1885-R1889 PolarHBondContact OG-N 3.27Å; S1885-E1960 WeakPolarHBondContact CB-OE2 3.49Å; S1885-E1960 PolarHBondContact OG-OE2 3.43Å; S1885-N1961 CarbonylContact C-O 3.52Å |
| 1886 | V | 73.6 | Confident | 65.4 | Low | 82 Ų | 82 | 52.1 Ų | 52.1 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.5 | 170.9 | -71.6 | 0 | 0 | 0 | 0 | 113.9 | N1961 | V1886-N1961 HydrophobicContact CG1-CB 4.07Å; V1886-N1961 WeakPolarHBondContact CG1-O 3.22Å; V1886-N1961 WeakPolarHBondContact CG2-O 3.48Å; V1886-N1961 PolarHBondContact N-O 2.93Å |
| 1887 | T | 77 | Confident | 67.2 | Low | 81 Ų | 81 | 48.6 Ų | 48.6 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 7.1 | 175.5 | 85 | 0 | 0 | 0 | 0 | 113.1 | S1885 R1889 E1960 | S1885-T1887 PolarHBondContact O-N 2.87Å; S1885-T1887 VanDerWaalsContact O-N 3.15Å; S1885-T1887 PolarHBondContact OG-N 3.24Å; S1885-T1887 VanDerWaalsContact OG-N 3.16Å; S1885-T1887 PolarHBondContact OG-OG1 2.93Å; T1887-R1889 VanDerWaalsContact C-N 3.29Å; T1887-R1889 PolarHBondContact O-N 2.97Å; T1887-R1889 WeakPolarHBondContact OG1-CD 3.2Å; T1887-R1889 WeakPolarHBondContact OG1-CG 3.24Å; T1887-E1960 PolarHBondContact OG1-OE2 3.3Å |
| 1888 | G | 75.3 | Confident | 68.6 | Low | 45 Ų | 45 | 45.8 Ų | 45.8 | 46% | 0.464 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 73.7 | 13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1885 | S1885-G1888 PolarHBondContact O-N 3.09Š|
| 1889 | R | 78.5 | Confident | 69.4 | Low | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 142.4 | 172.6 | -74.3 | 167.7 | 166.1 | 161.9 | -13.7 | 109.5 | Q1884 S1885 T1887 C1891 I1952 E1960 | Q1884-R1889 CarbonylContact C-O 3.6Å; Q1884-R1889 WeakPolarHBondContact CA-O 3.49Å; S1885-R1889 PolarHBondContact N-O 3Å; S1885-R1889 PolarHBondContact OG-N 3.27Å; T1887-R1889 VanDerWaalsContact C-N 3.29Å; T1887-R1889 PolarHBondContact O-N 2.97Å; T1887-R1889 WeakPolarHBondContact OG1-CD 3.2Å; T1887-R1889 WeakPolarHBondContact OG1-CG 3.24Å; R1889-C1891 PolarHBondContact O-N 2.95Å; R1889-I1952 HydrophobicContact CB-CB 4.23Å; R1889-I1952 HydrophobicContact CB-CG2 3.96Å; R1889-I1952 VanDerWaalsContact CD-CD1 3.46Å; R1889-I1952 VanDerWaalsContact NH1-CD1 3.33Å; R1889-E1960 IonicContact CZ-OE1 2.74Å; R1889-E1960 IonicContact NH1-OE1 2.69Å; R1889-E1960 PolarHBondContact NH1-OE1 2.95Å |
| 1890 | Q | 76.2 | Confident | 69.7 | Low | 84 Ų | 84 | 47.7 Ų | 47.7 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -59.7 | 133.8 | 170.8 | -71.5 | -76.2 | -21.7 | 0 | 0 | 109.7 | M1883 | M1883-Q1890 CarbonylContact O-C 3.56Å; M1883-Q1890 WeakPolarHBondContact O-CA 3.47Å; M1883-Q1890 PolarHBondContact O-OE1 3.4Å |
| 1891 | C | 76.7 | Confident | 69.7 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -68 | 138 | 165.9 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | M1883 R1889 N1933 C1950 | M1883-C1891 PolarHBondContact O-N 2.96Å; R1889-C1891 PolarHBondContact O-N 2.95Å; C1891-N1933 VanDerWaalsContact CB-O 3.23Å; C1891-N1933 WeakPolarHBondContact CB-O 3.43Å; C1891-C1950 VanDerWaalsContact CA-SG 3.5Å; C1891-C1950 HydrophobicContact CB-CB 3.54Å; C1891-C1950 WeakPolarHBondContact CB-SG 3.46Å; C1891-C1950 WeakPolarHBondContact SG-CB 3.29Å; C1891-C1950 CovalentContact SG-SG 2.03Å; C1891-C1950 PolarHBondContact SG-SG 3.47Å |
| 1892 | L | 81.5 | Confident | 69.3 | Low | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -79 | 161.3 | 168.7 | -48.2 | 178.6 | 0 | 0 | 0 | 109.7 | Y1758 I1897 N1933 Y1951 S1953 I1954 | Y1758-L1892 HydrophobicContact CD2-CD2 4.09Å; Y1758-L1892 HydrophobicContact CG-CD2 4.03Å; L1892-I1897 HydrophobicContact CD1-CD1 4.1Å; L1892-N1933 WeakPolarHBondContact O-CA 3.48Å; L1892-Y1951 WeakPolarHBondContact CG-O 3.25Å; L1892-Y1951 PolarHBondContact N-O 3.27Å; L1892-S1953 VanDerWaalsContact CD1-C 3.48Å; L1892-I1954 HydrophobicContact CD1-CD1 4.49Å; L1892-I1954 HydrophobicContact CD1-CG1 3.57Å |
| 1893 | R | 81 | Confident | 68.3 | Low | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 143.4 | 163.2 | -57.5 | 159.4 | 52.8 | 103 | -5.6 | 109.8 | Y1758 T1774 D1895 L1896 A1931 N1933 | Y1758-R1893 PolarHBondContact O-N 2.93Å; Y1758-R1893 VanDerWaalsContact O-N 3.15Å; T1774-R1893 VanDerWaalsContact CG2-NH2 3.34Å; R1893-D1895 WeakPolarHBondContact CB-OD1 3.2Å; R1893-D1895 IonicContact CZ-OD1 3.71Å; R1893-D1895 IonicContact CZ-OD2 2.7Å; R1893-D1895 IonicContact NE-OD1 3.01Å; R1893-D1895 PolarHBondContact NE-OD1 2.91Å; R1893-D1895 IonicContact NE-OD2 3.14Å; R1893-D1895 VanDerWaalsContact NH2-CG 3.32Å; R1893-D1895 IonicContact NH2-OD1 3.88Å; R1893-D1895 PolarHBondContact NH2-OD1 2.91Å; R1893-D1895 IonicContact NH2-OD2 2.76Å; R1893-D1895 PolarHBondContact NH2-OD2 2.88Å; R1893-L1896 HydrophobicContact CB-CD1 4.19Å; R1893-L1896 HydrophobicContact CB-CG 4.24Å; R1893-L1896 HydrophobicContact CG-CD1 4.48Å; R1893-L1896 PolarHBondContact O-N 2.97Å; R1893-A1931 PolarHBondContact NE-O 3.33Å; R1893-A1931 PolarHBondContact NH1-O 3.17Å; R1893-A1931 PolarHBondContact NH2-O 3.41Å; R1893-N1933 HydrophobicContact CG-CB 4.21Å |
| 1894 | W | 71.6 | Confident | 67.2 | Low | 30 Ų | 30 | 53.9 Ų | 53.9 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -72.6 | -30.8 | -178.2 | -63.8 | 77.2 | 0 | 0 | 0 | 112.9 | L1896 I1897 Y1930 Y1934 S1936 I1938 G1949 C1950 Y1951 F1959 | W1894-L1896 PolarHBondContact O-N 3.06Å; W1894-I1897 PolarHBondContact O-N 2.8Å; W1894-Y1930 WeakPolarHBondContact CB-O 3.06Å; W1894-Y1930 PolarHBondContact N-O 3.2Å; W1894-Y1934 PolarHBondContact NE1-O 2.74Å; W1894-S1936 WeakPolarHBondContact CZ2-OG 3.35Å; W1894-S1936 PolarHBondContact NE1-OG 2.83Å; W1894-S1936 VanDerWaalsContact NE1-OG 3.16Å; W1894-I1938 HydrophobicContact CH2-CD1 3.85Å; W1894-I1938 HydrophobicContact CH2-CG1 3.88Å; W1894-I1938 HydrophobicContact CZ3-CD1 3.83Å; W1894-I1938 HydrophobicContact CZ3-CG1 4.11Å; W1894-G1949 VanDerWaalsContact CZ2-O 3.26Å; W1894-G1949 WeakPolarHBondContact CZ2-O 3.46Å; W1894-C1950 HydrophobicContact CZ2-CB 4.29Å; W1894-Y1951 HydrophobicContact CD2-CD2 4.43Å; W1894-Y1951 AromaticContact CE3-CD2 3.76Å; W1894-Y1951 HydrophobicContact CE3-CD2 3.76Å; W1894-Y1951 AromaticContact CE3-CE2 3.76Å; W1894-Y1951 HydrophobicContact CE3-CE2 3.76Å; W1894-Y1951 AromaticContact CZ3-CD2 3.86Å; W1894-Y1951 HydrophobicContact CZ3-CD2 3.86Å; W1894-Y1951 AromaticContact CZ3-CE2 3.66Å; W1894-Y1951 HydrophobicContact CZ3-CE2 3.66Å; W1894-F1959 AromaticContact CH2-CE2 3.77Å; W1894-F1959 HydrophobicContact CH2-CE2 3.77Å; W1894-F1959 HydrophobicContact CZ3-CE2 4.36Å |
| 1895 | D | 73.7 | Confident | 66.1 | Low | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -68.3 | -10.7 | 179.1 | 75.4 | -40.1 | 0 | 0 | 0 | 114.8 | T1774 W1776 R1893 Y1930 | T1774-D1895 VanDerWaalsContact CB-OD2 3.32Å; T1774-D1895 WeakPolarHBondContact CB-OD2 3.06Å; T1774-D1895 WeakPolarHBondContact CG2-OD2 3.09Å; T1774-D1895 PolarHBondContact OG1-OD2 3.24Å; W1776-D1895 WeakPolarHBondContact CZ2-OD2 3.29Å; W1776-D1895 PolarHBondContact NE1-O 2.87Å; R1893-D1895 WeakPolarHBondContact CB-OD1 3.2Å; R1893-D1895 IonicContact CZ-OD1 3.71Å; R1893-D1895 IonicContact CZ-OD2 2.7Å; R1893-D1895 IonicContact NE-OD1 3.01Å; R1893-D1895 PolarHBondContact NE-OD1 2.91Å; R1893-D1895 IonicContact NE-OD2 3.14Å; R1893-D1895 VanDerWaalsContact NH2-CG 3.32Å; R1893-D1895 IonicContact NH2-OD1 3.88Å; R1893-D1895 PolarHBondContact NH2-OD1 2.91Å; R1893-D1895 IonicContact NH2-OD2 2.76Å; R1893-D1895 PolarHBondContact NH2-OD2 2.88Å; D1895-Y1930 HydrophobicContact CB-CD2 3.58Å; D1895-Y1930 HydrophobicContact CB-CE2 3.25Å; D1895-Y1930 PolarHBondContact N-O 3.4Å |
| 1896 | L | 76.8 | Confident | 64.9 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -88.3 | -2.2 | 174.9 | -64.6 | 176.5 | 0 | 0 | 0 | 113.5 | Y1758 W1761 W1776 S1779 P1780 P1784 R1893 W1894 I1954 | Y1758-L1896 HydrophobicContact CD1-CD1 4.17Å; W1761-L1896 HydrophobicContact CH2-CD2 4.01Å; W1761-L1896 HydrophobicContact CZ2-CD1 3.96Å; W1761-L1896 HydrophobicContact CZ2-CD2 3.94Å; W1761-L1896 HydrophobicContact CZ2-CG 4.45Å; W1776-L1896 HydrophobicContact CZ2-CD2 3.91Å; S1779-L1896 WeakPolarHBondContact CB-O 3.29Å; S1779-L1896 WeakPolarHBondContact OG-CA 3.49Å; S1779-L1896 PolarHBondContact OG-O 2.92Å; P1780-L1896 HydrophobicContact CG-CD2 4.28Å; P1784-L1896 HydrophobicContact CB-CD2 4.16Å; P1784-L1896 HydrophobicContact CG-CD1 4.25Å; P1784-L1896 HydrophobicContact CG-CD2 4.24Å; R1893-L1896 HydrophobicContact CB-CD1 4.19Å; R1893-L1896 HydrophobicContact CB-CG 4.24Å; R1893-L1896 HydrophobicContact CG-CD1 4.48Å; R1893-L1896 PolarHBondContact O-N 2.97Å; W1894-L1896 PolarHBondContact O-N 3.06Å; L1896-I1954 HydrophobicContact CB-CD1 4.1Å |
| 1897 | I | 71.2 | Confident | 63.9 | Low | 13 Ų | 13 | 50.4 Ų | 50.4 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -99.9 | 114.7 | -179 | -51.7 | -65 | 0 | 0 | 0 | 109.3 | L1892 W1894 H1899 Y1951 I1954 | L1892-I1897 HydrophobicContact CD1-CD1 4.1Å; W1894-I1897 PolarHBondContact O-N 2.8Å; I1897-H1899 PolarHBondContact O-N 3.34Å; I1897-H1899 PolarHBondContact O-ND1 2.62Å; I1897-Y1951 HydrophobicContact CB-CD2 4.49Å; I1897-Y1951 HydrophobicContact CD1-CD1 4.13Å; I1897-Y1951 HydrophobicContact CD1-CD2 4.45Å; I1897-Y1951 HydrophobicContact CD1-CG 3.84Å; I1897-Y1951 HydrophobicContact CG1-CD1 4.25Å; I1897-Y1951 HydrophobicContact CG1-CD2 3.79Å; I1897-Y1951 HydrophobicContact CG1-CE2 4.4Å; I1897-Y1951 HydrophobicContact CG1-CG 3.7Å; I1897-Y1951 HydrophobicContact CG2-CD1 4.19Å; I1897-Y1951 HydrophobicContact CG2-CD2 4.42Å; I1897-Y1951 HydrophobicContact CG2-CE1 4.02Å; I1897-Y1951 HydrophobicContact CG2-CE2 4.26Å; I1897-Y1951 HydrophobicContact CG2-CG 4.37Å; I1897-I1954 HydrophobicContact CD1-CB 4.43Å; I1897-I1954 HydrophobicContact CD1-CG1 4Å; I1897-I1954 HydrophobicContact CD1-CG2 4.47Å |
| 1898 | D | 61.9 | Low | 62.8 | Low | 81 Ų | 81 | 48.3 Ų | 48.3 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | trans | -59.6 | 133.5 | 173.5 | -80.6 | -5.6 | 0 | 0 | 0 | 110.5 | K1778 S1779 | K1778-D1898 WeakPolarHBondContact CG-OD2 3.32Å; S1779-D1898 WeakPolarHBondContact CB-OD1 3.35Å; S1779-D1898 PolarHBondContact N-OD1 3.22Å | ||
| 1899 | H | 56.1 | Low | 61.6 | Low | 75 Ų | 75 | 49.1 Ų | 49.1 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | trans | -127.9 | 112.6 | -178 | -74.5 | -1.4 | 0 | 0 | 0 | 107.7 | I1897 F1901 | I1897-H1899 PolarHBondContact O-N 3.34Å; I1897-H1899 PolarHBondContact O-ND1 2.62Å; H1899-F1901 HydrophobicContact CB-CD2 4.07Å; H1899-F1901 HydrophobicContact CB-CE1 4.38Å; H1899-F1901 HydrophobicContact CB-CE2 3.28Å; H1899-F1901 HydrophobicContact CB-CZ 3.46Å; H1899-F1901 VanDerWaalsContact CB-CZ 3.46Å; H1899-F1901 AromaticContact CD2-CZ 3.98Å; H1899-F1901 WeakPolarHBondContact O-CD2 3.33Å; H1899-F1901 WeakPolarHBondContact O-CE2 3.49Å; H1899-F1901 PolarHBondContact O-N 3.1Å | ||
| 1900 | N | 47.9 | Very low | 60.5 | Low | 114 Ų | 114 | 46.2 Ų | 46.2 | 61% | 0.61 | 24% | 0.239 | S | C | * | . | trans | -73.7 | 103.6 | -178.3 | -174.3 | 24.5 | 0 | 0 | 0 | 111.3 | T1902 | N1900-T1902 PolarHBondContact ND2-OG1 2.95Å; N1900-T1902 VanDerWaalsContact OD1-CG2 3.31Å; N1900-T1902 WeakPolarHBondContact OD1-CG2 3.41Å; N1900-T1902 PolarHBondContact OD1-N 2.91Å; N1900-T1902 PolarHBondContact OD1-OG1 3.1Å | ||
| 1901 | F | 47.7 | Very low | 59.4 | Low | 73 Ų | 73 | 42.5 Ų | 42.5 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | trans | -95.9 | 5.7 | 177.1 | -62.8 | -72.5 | 0 | 0 | 0 | 114 | H1899 D1903 V1904 | H1899-F1901 HydrophobicContact CB-CD2 4.07Å; H1899-F1901 HydrophobicContact CB-CE1 4.38Å; H1899-F1901 HydrophobicContact CB-CE2 3.28Å; H1899-F1901 HydrophobicContact CB-CZ 3.46Å; H1899-F1901 VanDerWaalsContact CB-CZ 3.46Å; H1899-F1901 AromaticContact CD2-CZ 3.98Å; H1899-F1901 WeakPolarHBondContact O-CD2 3.33Å; H1899-F1901 WeakPolarHBondContact O-CE2 3.49Å; H1899-F1901 PolarHBondContact O-N 3.1Å; F1901-D1903 PolarHBondContact O-N 3.32Å; F1901-V1904 HydrophobicContact CD1-CG2 4.17Å; F1901-V1904 PolarHBondContact O-N 2.86Å | ||
| 1902 | T | 44.4 | Very low | 58.1 | Low | 46 Ų | 46 | 48.4 Ų | 48.4 | 28% | 0.282 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.1 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | M1417 N1900 V1904 | M1417-T1902 HydrophobicContact CE-CG2 3.69Å; N1900-T1902 PolarHBondContact ND2-OG1 2.95Å; N1900-T1902 VanDerWaalsContact OD1-CG2 3.31Å; N1900-T1902 WeakPolarHBondContact OD1-CG2 3.41Å; N1900-T1902 PolarHBondContact OD1-N 2.91Å; N1900-T1902 PolarHBondContact OD1-OG1 3.1Å; T1902-V1904 VanDerWaalsContact C-N 3.34Å |
| 1903 | D | 43.8 | Very low | 56.4 | Low | 133 Ų | 133 | 52.1 Ų | 52.1 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.2 | -172.1 | -52.7 | -13.4 | 0 | 0 | 0 | 112.5 | F1901 | F1901-D1903 PolarHBondContact O-N 3.32Š|
| 1904 | V | 45.7 | Very low | 54.7 | Low | 40 Ų | 40 | 55.7 Ų | 55.7 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | trans | -90.4 | 108.2 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | F1901 T1902 F1910 | F1901-V1904 HydrophobicContact CD1-CG2 4.17Å; F1901-V1904 PolarHBondContact O-N 2.86Å; T1902-V1904 VanDerWaalsContact C-N 3.34Å; V1904-F1910 HydrophobicContact CG1-CD2 4.12Å; V1904-F1910 HydrophobicContact CG1-CE2 3.72Å; V1904-F1910 HydrophobicContact CG1-CZ 4.09Å | ||
| 1905 | S | 49.7 | Very low | 53.4 | Low | 58 Ų | 58 | 56.1 Ų | 56.1 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | trans | -72 | 131.4 | 170.7 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | R1414 D1907 | R1414-S1905 WeakPolarHBondContact O-CA 3.38Å; S1905-D1907 PolarHBondContact O-N 3.02Å | ||
| 1906 | L | 53.3 | Low | 51.7 | Low | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | trans | -76.3 | 84.7 | 173.5 | -83.2 | 168.7 | 0 | 0 | 0 | 111 | K1411 E1412 S1413 R1414 Y1416 I1569 F1910 | K1411-L1906 HydrophobicContact CG-CD1 4.31Å; E1412-L1906 CarbonylContact C-O 3.48Å; E1412-L1906 VanDerWaalsContact CA-O 3.31Å; E1412-L1906 WeakPolarHBondContact CA-O 3.14Å; S1413-L1906 PolarHBondContact N-O 3.45Å; R1414-L1906 PolarHBondContact O-N 2.85Å; Y1416-L1906 HydrophobicContact CD1-CD1 4.43Å; Y1416-L1906 HydrophobicContact CD2-CG 4.48Å; Y1416-L1906 HydrophobicContact CE1-CD1 4.1Å; Y1416-L1906 HydrophobicContact CE2-CD1 4.23Å; Y1416-L1906 HydrophobicContact CE2-CD2 4.09Å; Y1416-L1906 HydrophobicContact CE2-CG 3.95Å; I1569-L1906 HydrophobicContact CD1-CB 4.48Å; I1569-L1906 HydrophobicContact CD1-CD1 4.32Å; I1569-L1906 HydrophobicContact CD1-CD2 4.49Å; L1906-F1910 HydrophobicContact CD2-CD1 4.34Å; L1906-F1910 HydrophobicContact CD2-CE1 4.42Å | ||
| 1907 | D | 52.7 | Low | 49.9 | Very low | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | trans | -92.3 | 151.9 | 170.2 | 179.4 | 48.6 | 0 | 0 | 0 | 112.4 | H1572 S1905 N1909 F1910 I1911 | H1572-D1907 IonicContact CD2-OD1 3.53Å; H1572-D1907 IonicContact CE1-OD1 3.19Å; H1572-D1907 IonicContact NE2-OD1 3.27Å; H1572-D1907 PolarHBondContact NE2-OD1 2.72Å; S1905-D1907 PolarHBondContact O-N 3.02Å; D1907-N1909 PolarHBondContact O-N 2.65Å; D1907-N1909 WeakPolarHBondContact OD2-CA 3.23Å; D1907-N1909 WeakPolarHBondContact OD2-CB 3.34Å; D1907-N1909 PolarHBondContact OD2-N 3.09Å; D1907-N1909 PolarHBondContact OD2-ND2 2.94Å; D1907-F1910 WeakPolarHBondContact O-CB 3.25Å; D1907-F1910 PolarHBondContact O-N 2.9Å; D1907-I1911 PolarHBondContact O-N 3.45Å; D1907-I1911 VanDerWaalsContact O-N 3.12Å | ||
| 1908 | F | 53.3 | Low | 48.2 | Very low | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -34 | 174.3 | -171.7 | -94.7 | 0 | 0 | 0 | 112.2 | R1570 D1571 W1615 I1911 R1912 | R1570-F1908 WeakPolarHBondContact O-CD2 3.47Å; D1571-F1908 HydrophobicContact CB-CD2 4.38Å; D1571-F1908 HydrophobicContact CB-CE2 4.04Å; D1571-F1908 HydrophobicContact CB-CZ 4.3Å; W1615-F1908 HydrophobicContact CH2-CE2 4.24Å; W1615-F1908 HydrophobicContact CH2-CZ 4.13Å; W1615-F1908 HydrophobicContact CZ3-CZ 4.33Å; F1908-I1911 PolarHBondContact O-N 2.92Å; F1908-R1912 VanDerWaalsContact O-CB 3.32Å; F1908-R1912 WeakPolarHBondContact O-CB 3.41Å; F1908-R1912 PolarHBondContact O-N 2.6Å |
| 1909 | N | 49.6 | Very low | 46.9 | Very low | 63 Ų | 63 | 62.1 Ų | 62.1 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 175.2 | -59.3 | -79.5 | 0 | 0 | 0 | 112.5 | D1907 I1911 R1912 N1913 | D1907-N1909 PolarHBondContact O-N 2.65Å; D1907-N1909 WeakPolarHBondContact OD2-CA 3.23Å; D1907-N1909 WeakPolarHBondContact OD2-CB 3.34Å; D1907-N1909 PolarHBondContact OD2-N 3.09Å; D1907-N1909 PolarHBondContact OD2-ND2 2.94Å; N1909-I1911 VanDerWaalsContact C-N 3.33Å; N1909-R1912 PolarHBondContact O-N 2.89Å; N1909-N1913 VanDerWaalsContact O-CB 3.29Å; N1909-N1913 WeakPolarHBondContact O-CB 3.5Å; N1909-N1913 PolarHBondContact O-N 3.38Å; N1909-N1913 PolarHBondContact O-ND2 3.03Å |
| 1910 | F | 55.4 | Low | 45.9 | Very low | 59 Ų | 59 | 64.9 Ų | 64.9 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 171.4 | 173.3 | -85.9 | 0 | 0 | 0 | 110.4 | V1904 L1906 D1907 N1913 H1914 | V1904-F1910 HydrophobicContact CG1-CD2 4.12Å; V1904-F1910 HydrophobicContact CG1-CE2 3.72Å; V1904-F1910 HydrophobicContact CG1-CZ 4.09Å; L1906-F1910 HydrophobicContact CD2-CD1 4.34Å; L1906-F1910 HydrophobicContact CD2-CE1 4.42Å; D1907-F1910 WeakPolarHBondContact O-CB 3.25Å; D1907-F1910 PolarHBondContact O-N 2.9Å; F1910-N1913 PolarHBondContact O-N 2.78Å; F1910-H1914 AromaticContact CD1-ND1 3.88Å; F1910-H1914 AromaticContact CD2-CE1 3.8Å; F1910-H1914 AromaticContact CD2-ND1 3.96Å; F1910-H1914 AromaticContact CE1-CE1 3.83Å; F1910-H1914 AromaticContact CE1-ND1 3.67Å; F1910-H1914 AromaticContact CE2-CE1 3.26Å; F1910-H1914 WeakPolarHBondContact CE2-CE1 3.44Å; F1910-H1914 AromaticContact CE2-ND1 3.78Å; F1910-H1914 AromaticContact CZ-CE1 3.27Å; F1910-H1914 WeakPolarHBondContact CZ-CE1 3.29Å; F1910-H1914 AromaticContact CZ-ND1 3.62Å; F1910-H1914 AromaticContact CZ-NE2 3.9Å; F1910-H1914 PolarHBondContact O-N 3.02Å; F1910-H1914 PolarHBondContact O-ND1 3.23Å |
| 1911 | I | 53.1 | Low | 45.3 | Very low | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | 177.5 | -59 | 171.8 | 0 | 0 | 0 | 110.6 | I1569 I1611 D1907 F1908 N1909 N1913 H1914 L1915 | I1569-I1911 HydrophobicContact CB-CD1 4.46Å; I1569-I1911 HydrophobicContact CD1-CD1 3.54Å; I1569-I1911 HydrophobicContact CG2-CD1 3.87Å; I1611-I1911 HydrophobicContact CD1-CD1 4.48Å; D1907-I1911 PolarHBondContact O-N 3.45Å; D1907-I1911 VanDerWaalsContact O-N 3.12Å; F1908-I1911 PolarHBondContact O-N 2.92Å; N1909-I1911 VanDerWaalsContact C-N 3.33Å; I1911-N1913 VanDerWaalsContact C-N 3.34Å; I1911-N1913 PolarHBondContact O-N 3.34Å; I1911-H1914 CarbonylContact O-C 3.48Å; I1911-H1914 PolarHBondContact O-N 2.83Å; I1911-L1915 HydrophobicContact CG2-CD1 4.14Å; I1911-L1915 WeakPolarHBondContact O-CB 3.22Å; I1911-L1915 PolarHBondContact O-N 2.03Å |
| 1912 | R | 49.5 | Very low | 44.4 | Very low | 124 Ų | 124 | 62.2 Ų | 62.2 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 176.6 | -161.6 | -171.3 | 74.9 | -171 | -0.4 | 112.4 | F1908 N1909 L1915 L1916 | F1908-R1912 VanDerWaalsContact O-CB 3.32Å; F1908-R1912 WeakPolarHBondContact O-CB 3.41Å; F1908-R1912 PolarHBondContact O-N 2.6Å; N1909-R1912 PolarHBondContact O-N 2.89Å; R1912-L1915 WeakPolarHBondContact O-CB 3.31Å; R1912-L1916 VanDerWaalsContact O-CG 3.27Å; R1912-L1916 WeakPolarHBondContact O-CG 3.2Å; R1912-L1916 PolarHBondContact O-N 2.84Å |
| 1913 | N | 45.3 | Very low | 43.6 | Very low | 88 Ų | 88 | 63.4 Ų | 63.4 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.4 | -32.9 | 177.1 | -66.9 | -15.2 | 0 | 0 | 0 | 111.5 | N1909 F1910 I1911 A1917 | N1909-N1913 VanDerWaalsContact O-CB 3.29Å; N1909-N1913 WeakPolarHBondContact O-CB 3.5Å; N1909-N1913 PolarHBondContact O-N 3.38Å; N1909-N1913 PolarHBondContact O-ND2 3.03Å; F1910-N1913 PolarHBondContact O-N 2.78Å; I1911-N1913 VanDerWaalsContact C-N 3.34Å; I1911-N1913 PolarHBondContact O-N 3.34Å; N1913-A1917 VanDerWaalsContact O-CB 3.31Å; N1913-A1917 WeakPolarHBondContact O-CB 3.4Å; N1913-A1917 PolarHBondContact O-N 2.95Å |
| 1914 | H | 45.6 | Very low | 42.9 | Very low | 80 Ų | 80 | 58.8 Ų | 58.8 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.9 | -33.7 | 171.3 | -77.4 | 79.9 | 0 | 0 | 0 | 113.4 | F1910 I1911 A1917 A1918 | F1910-H1914 AromaticContact CD1-ND1 3.88Å; F1910-H1914 AromaticContact CD2-CE1 3.8Å; F1910-H1914 AromaticContact CD2-ND1 3.96Å; F1910-H1914 AromaticContact CE1-CE1 3.83Å; F1910-H1914 AromaticContact CE1-ND1 3.67Å; F1910-H1914 AromaticContact CE2-CE1 3.26Å; F1910-H1914 WeakPolarHBondContact CE2-CE1 3.44Å; F1910-H1914 AromaticContact CE2-ND1 3.78Å; F1910-H1914 AromaticContact CZ-CE1 3.27Å; F1910-H1914 WeakPolarHBondContact CZ-CE1 3.29Å; F1910-H1914 AromaticContact CZ-ND1 3.62Å; F1910-H1914 AromaticContact CZ-NE2 3.9Å; F1910-H1914 PolarHBondContact O-N 3.02Å; F1910-H1914 PolarHBondContact O-ND1 3.23Å; I1911-H1914 CarbonylContact O-C 3.48Å; I1911-H1914 PolarHBondContact O-N 2.83Å; H1914-A1917 PolarHBondContact O-N 3.11Å; H1914-A1918 VanDerWaalsContact O-CB 3.28Å; H1914-A1918 WeakPolarHBondContact O-CB 3.29Å; H1914-A1918 PolarHBondContact O-N 3.37Å |
| 1915 | L | 44.1 | Very low | 42.3 | Very low | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -56.7 | 167.1 | -93.7 | 157.3 | 0 | 0 | 0 | 110.2 | S1537 F1601 I1911 R1912 A1917 A1918 E1919 | S1537-L1915 VanDerWaalsContact CB-CD2 3.44Å; F1601-L1915 HydrophobicContact CE2-CD2 3.61Å; F1601-L1915 HydrophobicContact CE2-CG 3.87Å; F1601-L1915 HydrophobicContact CZ-CD2 4.28Å; F1601-L1915 HydrophobicContact CZ-CG 4.17Å; I1911-L1915 HydrophobicContact CG2-CD1 4.14Å; I1911-L1915 WeakPolarHBondContact O-CB 3.22Å; I1911-L1915 PolarHBondContact O-N 2.03Å; R1912-L1915 WeakPolarHBondContact O-CB 3.31Å; L1915-A1917 VanDerWaalsContact C-N 3.34Å; L1915-A1917 PolarHBondContact O-N 2.93Å; L1915-A1918 PolarHBondContact O-N 2.93Å; L1915-E1919 WeakPolarHBondContact O-CG 3.42Å; L1915-E1919 PolarHBondContact O-N 3.23Å |
| 1916 | L | 38.4 | Very low | 41.4 | Very low | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 178.8 | -69.9 | 167 | 0 | 0 | 0 | 112.1 | R1912 E1919 M1920 | R1912-L1916 VanDerWaalsContact O-CG 3.27Å; R1912-L1916 WeakPolarHBondContact O-CG 3.2Å; R1912-L1916 PolarHBondContact O-N 2.84Å; L1916-E1919 PolarHBondContact O-N 3Å; L1916-M1920 HydrophobicContact CB-CE 4.35Å; L1916-M1920 WeakPolarHBondContact O-CG 3.49Å; L1916-M1920 PolarHBondContact O-N 2.71Å |
| 1917 | A | 39.4 | Very low | 40.7 | Very low | 44 Ų | 44 | 64 Ų | 64 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1913 H1914 L1915 M1920 V1921 | N1913-A1917 VanDerWaalsContact O-CB 3.31Å; N1913-A1917 WeakPolarHBondContact O-CB 3.4Å; N1913-A1917 PolarHBondContact O-N 2.95Å; H1914-A1917 PolarHBondContact O-N 3.11Å; L1915-A1917 VanDerWaalsContact C-N 3.34Å; L1915-A1917 PolarHBondContact O-N 2.93Å; A1917-M1920 PolarHBondContact O-N 3.5Å; A1917-V1921 VanDerWaalsContact O-CG2 3.27Å; A1917-V1921 WeakPolarHBondContact O-CG2 3.38Å; A1917-V1921 PolarHBondContact O-N 2.75Å; A1917-V1921 VanDerWaalsContact O-N 3.13Å |
| 1918 | A | 35.4 | Very low | 40.4 | Very low | 32 Ų | 32 | 66 Ų | 66 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | H1914 L1915 V1921 H1922 | H1914-A1918 VanDerWaalsContact O-CB 3.28Å; H1914-A1918 WeakPolarHBondContact O-CB 3.29Å; H1914-A1918 PolarHBondContact O-N 3.37Å; L1915-A1918 PolarHBondContact O-N 2.93Å; A1918-V1921 PolarHBondContact O-N 2.9Å; A1918-H1922 PolarHBondContact O-CD2 3.31Å |
| 1919 | E | 33.7 | Very low | 40.3 | Very low | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 171.2 | -72.5 | 169.5 | -173 | 0 | 0 | 111.2 | L1915 L1916 V1921 H1922 | L1915-E1919 WeakPolarHBondContact O-CG 3.42Å; L1915-E1919 PolarHBondContact O-N 3.23Å; L1916-E1919 PolarHBondContact O-N 3Å; E1919-V1921 VanDerWaalsContact C-N 3.27Å; E1919-V1921 PolarHBondContact O-N 2.92Å; E1919-H1922 PolarHBondContact O-N 3.14Å |
| 1920 | M | 35.6 | Very low | 40.7 | Very low | 132 Ų | 132 | 67.3 Ų | 67.3 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.4 | -25.1 | 176.9 | -72.1 | 173.6 | -160.4 | 0 | 0 | 114.2 | L1916 A1917 | L1916-M1920 HydrophobicContact CB-CE 4.35Å; L1916-M1920 WeakPolarHBondContact O-CG 3.49Å; L1916-M1920 PolarHBondContact O-N 2.71Å; A1917-M1920 PolarHBondContact O-N 3.5Å |
| 1921 | V | 35.7 | Very low | 41 | Very low | 77 Ų | 77 | 64.5 Ų | 64.5 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4 | -174.6 | 171.6 | 0 | 0 | 0 | 0 | 113.2 | A1917 A1918 E1919 T1927 | A1917-V1921 VanDerWaalsContact O-CG2 3.27Å; A1917-V1921 WeakPolarHBondContact O-CG2 3.38Å; A1917-V1921 PolarHBondContact O-N 2.75Å; A1917-V1921 VanDerWaalsContact O-N 3.13Å; A1918-V1921 PolarHBondContact O-N 2.9Å; E1919-V1921 VanDerWaalsContact C-N 3.27Å; E1919-V1921 PolarHBondContact O-N 2.92Å; V1921-T1927 WeakPolarHBondContact O-CB 3.43Å; V1921-T1927 WeakPolarHBondContact O-CG2 3.23Å; V1921-T1927 PolarHBondContact O-OG1 3.43Å; V1921-T1927 VanDerWaalsContact O-OG1 3.05Å |
| 1922 | H | 29.3 | Very low | 41.6 | Very low | 54 Ų | 54 | 64.6 Ų | 64.6 | 25% | 0.25 | 36% | 0.363 | C | S | . | . | trans | -106.1 | 19.6 | 179.4 | -76.5 | -48.7 | 0 | 0 | 0 | 116.2 | P1533 A1918 E1919 G1924 | P1533-H1922 HydrophobicContact CB-CB 3.52Å; P1533-H1922 HydrophobicContact CG-CB 4.17Å; A1918-H1922 PolarHBondContact O-CD2 3.31Å; E1919-H1922 PolarHBondContact O-N 3.14Å; H1922-G1924 PolarHBondContact O-N 3.15Å | ||
| 1923 | G | 26.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 59 Ų | 59 | 73% | 0.732 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -69.6 | 58.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1924 | G | 29.1 | Very low | 43.7 | Very low | 37 Ų | 37 | 56.6 Ų | 56.6 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 125.8 | 156.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1922 N1926 | H1922-G1924 PolarHBondContact O-N 3.15Å; G1924-N1926 PolarHBondContact O-N 3.43Å |
| 1925 | S | 33.4 | Very low | 44.6 | Very low | 66 Ų | 66 | 52.9 Ų | 52.9 | 46% | 0.462 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 8.1 | -172.2 | 62.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1926 | N | 31.6 | Very low | 45.6 | Very low | 87 Ų | 87 | 53.2 Ų | 53.2 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 14.5 | -164.5 | -63.3 | 1.7 | 0 | 0 | 0 | 113.1 | G1924 | G1924-N1926 PolarHBondContact O-N 3.43Š|
| 1927 | T | 38.9 | Very low | 46.6 | Very low | 65 Ų | 65 | 53.8 Ų | 53.8 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 129.6 | 178.2 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | V1921 | V1921-T1927 WeakPolarHBondContact O-CB 3.43Å; V1921-T1927 WeakPolarHBondContact O-CG2 3.23Å; V1921-T1927 PolarHBondContact O-OG1 3.43Å; V1921-T1927 VanDerWaalsContact O-OG1 3.05Å |
| 1928 | Y | 45.2 | Very low | 47.3 | Very low | 70 Ų | 70 | 54.3 Ų | 54.3 | 28% | 0.275 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 156.6 | -166.8 | -58.1 | -77.9 | 0 | 0 | 0 | 113.3 | E1932 Y1934 | Y1928-E1932 WeakPolarHBondContact CA-OE2 3.48Å; Y1928-E1932 WeakPolarHBondContact CB-OE2 3.49Å; Y1928-Y1934 AromaticContact CD1-CD2 3.51Å; Y1928-Y1934 HydrophobicContact CD1-CD2 3.51Å; Y1928-Y1934 AromaticContact CD1-CE2 3.33Å; Y1928-Y1934 HydrophobicContact CD1-CE2 3.33Å; Y1928-Y1934 HydrophobicContact CD1-CG 4.43Å; Y1928-Y1934 HydrophobicContact CE1-CD2 4.16Å; Y1928-Y1934 AromaticContact CE1-CE2 3.73Å; Y1928-Y1934 HydrophobicContact CE1-CE2 3.73Å; Y1928-Y1934 AromaticContact CG-CD2 3.76Å; Y1928-Y1934 HydrophobicContact CG-CD2 3.76Å; Y1928-Y1934 HydrophobicContact CG-CE2 4.08Å; Y1928-Y1934 HydrophobicContact CG-CG 4.49Å |
| 1929 | S | 51.5 | Low | 47.9 | Very low | 31 Ų | 31 | 57.6 Ų | 57.6 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 154.9 | -178.6 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | R1772 A1931 E1932 | R1772-S1929 WeakPolarHBondContact O-CB 3.4Å; R1772-S1929 PolarHBondContact O-OG 2.84Å; S1929-A1931 PolarHBondContact O-N 2.92Å; S1929-A1931 PolarHBondContact OG-N 2.97Å; S1929-E1932 PolarHBondContact N-OE2 3.49Å; S1929-E1932 PolarHBondContact O-N 2.95Å |
| 1930 | Y | 59 | Low | 48.4 | Very low | 97 Ų | 97 | 55.6 Ų | 55.6 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.4 | 168.5 | 94.5 | -74.9 | 0 | 0 | 0 | 113 | T1774 W1894 D1895 E1932 | T1774-Y1930 PolarHBondContact O-OH 3.38Å; T1774-Y1930 PolarHBondContact OG1-OH 3Å; W1894-Y1930 WeakPolarHBondContact CB-O 3.06Å; W1894-Y1930 PolarHBondContact N-O 3.2Å; D1895-Y1930 HydrophobicContact CB-CD2 3.58Å; D1895-Y1930 HydrophobicContact CB-CE2 3.25Å; D1895-Y1930 PolarHBondContact N-O 3.4Å; Y1930-E1932 VanDerWaalsContact C-N 3.28Å; Y1930-E1932 PolarHBondContact O-N 3.11Å |
| 1931 | A | 61 | Low | 48.6 | Very low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1771 R1893 S1929 | V1771-A1931 WeakPolarHBondContact O-CB 3.08Å; R1893-A1931 PolarHBondContact NE-O 3.33Å; R1893-A1931 PolarHBondContact NH1-O 3.17Å; R1893-A1931 PolarHBondContact NH2-O 3.41Å; S1929-A1931 PolarHBondContact O-N 2.92Å; S1929-A1931 PolarHBondContact OG-N 2.97Å |
| 1932 | E | 66.4 | Low | 48.8 | Very low | 9 Ų | 9 | 55.5 Ų | 55.5 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -98.5 | 158.8 | 176.5 | -65.9 | 172.3 | 140 | 0 | 0 | 110.9 | P1770 R1772 Y1928 S1929 Y1930 Y1934 | P1770-E1932 WeakPolarHBondContact CG-OE1 3.4Å; R1772-E1932 WeakPolarHBondContact CD-OE1 3.46Å; R1772-E1932 HydrophobicContact CG-CG 4.27Å; R1772-E1932 WeakPolarHBondContact CG-OE1 3.26Å; R1772-E1932 IonicContact CZ-OE1 3.54Å; R1772-E1932 IonicContact NE-OE1 2.69Å; R1772-E1932 PolarHBondContact NE-OE1 2.04Å; Y1928-E1932 WeakPolarHBondContact CA-OE2 3.48Å; Y1928-E1932 WeakPolarHBondContact CB-OE2 3.49Å; S1929-E1932 PolarHBondContact N-OE2 3.49Å; S1929-E1932 PolarHBondContact O-N 2.95Å; Y1930-E1932 VanDerWaalsContact C-N 3.28Å; Y1930-E1932 PolarHBondContact O-N 3.11Å; E1932-Y1934 HydrophobicContact CB-CD2 3.64Å; E1932-Y1934 HydrophobicContact CB-CE2 3.82Å; E1932-Y1934 HydrophobicContact CG-CE2 4.29Å; E1932-Y1934 PolarHBondContact O-N 2.78Å |
| 1933 | N | 69.4 | Low | 49.2 | Very low | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | trans | -99.7 | 36.3 | -172.9 | 63.4 | -48 | 0 | 0 | 0 | 113.6 | N1760 C1891 L1892 R1893 | N1760-N1933 PolarHBondContact OD1-ND2 2.9Å; N1760-N1933 PolarHBondContact OD1-OD1 3.46Å; N1760-N1933 VanDerWaalsContact OD1-OD1 3.09Å; C1891-N1933 VanDerWaalsContact CB-O 3.23Å; C1891-N1933 WeakPolarHBondContact CB-O 3.43Å; L1892-N1933 WeakPolarHBondContact O-CA 3.48Å; R1893-N1933 HydrophobicContact CG-CB 4.21Å | ||
| 1934 | Y | 68.9 | Low | 49.8 | Very low | 37 Ų | 37 | 61.3 Ų | 61.3 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | trans | -88 | 155.2 | 179.8 | -65 | -64.8 | 0 | 0 | 0 | 112.3 | M1883 W1894 Y1928 E1932 S1936 | M1883-Y1934 HydrophobicContact CE-CD1 4.37Å; M1883-Y1934 HydrophobicContact CE-CE1 3.51Å; M1883-Y1934 HydrophobicContact CG-CD1 3.99Å; M1883-Y1934 HydrophobicContact CG-CE1 3.95Å; M1883-Y1934 HydrophobicContact SD-CE1 4.48Å; W1894-Y1934 PolarHBondContact NE1-O 2.74Å; Y1928-Y1934 AromaticContact CD1-CD2 3.51Å; Y1928-Y1934 HydrophobicContact CD1-CD2 3.51Å; Y1928-Y1934 AromaticContact CD1-CE2 3.33Å; Y1928-Y1934 HydrophobicContact CD1-CE2 3.33Å; Y1928-Y1934 HydrophobicContact CD1-CG 4.43Å; Y1928-Y1934 HydrophobicContact CE1-CD2 4.16Å; Y1928-Y1934 AromaticContact CE1-CE2 3.73Å; Y1928-Y1934 HydrophobicContact CE1-CE2 3.73Å; Y1928-Y1934 AromaticContact CG-CD2 3.76Å; Y1928-Y1934 HydrophobicContact CG-CD2 3.76Å; Y1928-Y1934 HydrophobicContact CG-CE2 4.08Å; Y1928-Y1934 HydrophobicContact CG-CG 4.49Å; E1932-Y1934 HydrophobicContact CB-CD2 3.64Å; E1932-Y1934 HydrophobicContact CB-CE2 3.82Å; E1932-Y1934 HydrophobicContact CG-CE2 4.29Å; E1932-Y1934 PolarHBondContact O-N 2.78Å; Y1934-S1936 PolarHBondContact O-N 2.86Å; Y1934-S1936 PolarHBondContact O-OG 3.02Å | ||
| 1935 | C | 65 | Low | 50.5 | Low | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | trans | -63 | 120.3 | 167.6 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | Y1878 I1882 G1949 C1962 | Y1878-C1935 PolarHBondContact OH-O 3.3Å; I1882-C1935 PolarHBondContact O-N 3.2Å; I1882-C1935 VanDerWaalsContact O-N 3.13Å; I1882-C1935 PolarHBondContact O-SG 3Å; C1935-G1949 WeakPolarHBondContact CA-O 3.29Å; C1935-C1962 HydrophobicContact CB-CB 3.67Å; C1935-C1962 WeakPolarHBondContact CB-SG 3.32Å; C1935-C1962 WeakPolarHBondContact SG-CB 3.24Å; C1935-C1962 CovalentContact SG-SG 2.01Å; C1935-C1962 PolarHBondContact SG-SG 2.82Å | ||
| 1936 | S | 63.9 | Low | 51.1 | Low | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 162.3 | -177 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | W1894 Y1934 F1948 G1949 | W1894-S1936 WeakPolarHBondContact CZ2-OG 3.35Å; W1894-S1936 PolarHBondContact NE1-OG 2.83Å; W1894-S1936 VanDerWaalsContact NE1-OG 3.16Å; Y1934-S1936 PolarHBondContact O-N 2.86Å; Y1934-S1936 PolarHBondContact O-OG 3.02Å; S1936-F1948 WeakPolarHBondContact O-CA 3.35Å; S1936-G1949 PolarHBondContact N-O 3.23Å; S1936-G1949 VanDerWaalsContact N-O 3.07Å; S1936-G1949 PolarHBondContact O-N 2.86Å |
| 1937 | L | 59.8 | Low | 52.3 | Low | 82 Ų | 82 | 60.9 Ų | 60.9 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 107 | 177.6 | -171.4 | 58.5 | 0 | 0 | 0 | 110.3 | F1948 | L1937-F1948 HydrophobicContact CB-CD1 4.1Å; L1937-F1948 HydrophobicContact CB-CE1 3.72Å; L1937-F1948 HydrophobicContact CB-CZ 4.3Å; L1937-F1948 HydrophobicContact CD1-CD1 3.93Å; L1937-F1948 HydrophobicContact CD1-CD2 3.92Å; L1937-F1948 HydrophobicContact CD1-CE1 3.67Å; L1937-F1948 HydrophobicContact CD1-CE2 3.66Å; L1937-F1948 HydrophobicContact CD1-CG 4.05Å; L1937-F1948 HydrophobicContact CD1-CZ 3.54Å; L1937-F1948 HydrophobicContact CD2-CE1 4.47Å; L1937-F1948 HydrophobicContact CD2-CZ 4.26Å; L1937-F1948 HydrophobicContact CG-CE1 4.15Å; L1937-F1948 HydrophobicContact CG-CZ 4.25Å |
| 1938 | I | 54.6 | Low | 53.6 | Low | 54 Ų | 54 | 59.4 Ų | 59.4 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.2 | 169.4 | -59.4 | -171.6 | 0 | 0 | 0 | 108.9 | W1894 T1946 K1947 F1959 | W1894-I1938 HydrophobicContact CH2-CD1 3.85Å; W1894-I1938 HydrophobicContact CH2-CG1 3.88Å; W1894-I1938 HydrophobicContact CZ3-CD1 3.83Å; W1894-I1938 HydrophobicContact CZ3-CG1 4.11Å; I1938-T1946 CarbonylContact O-C 3.58Å; I1938-T1946 VanDerWaalsContact O-CA 3.31Å; I1938-T1946 WeakPolarHBondContact O-CA 3.38Å; I1938-K1947 PolarHBondContact N-O 2.97Å; I1938-K1947 PolarHBondContact O-N 2.88Å; I1938-F1959 HydrophobicContact CD1-CD2 3.98Å; I1938-F1959 HydrophobicContact CD1-CE1 4.3Å; I1938-F1959 HydrophobicContact CD1-CE2 3.35Å; I1938-F1959 HydrophobicContact CD1-CZ 3.51Å; I1938-F1959 HydrophobicContact CG1-CE2 4.23Å; I1938-F1959 HydrophobicContact CG1-CZ 4.17Å |
| 1939 | H | 48.2 | Very low | 54.9 | Low | 101 Ų | 101 | 56 Ų | 56 | 47% | 0.468 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.4 | 162.8 | -176.2 | 91.2 | 0 | 0 | 0 | 109.6 | G1941 T1946 | H1939-G1941 PolarHBondContact O-N 3.48Å; H1939-T1946 HydrophobicContact CB-CG2 4.37Å |
| 1940 | D | 44.1 | Very low | 56 | Low | 42 Ų | 42 | 54.6 Ų | 54.6 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 94.6 | 176.8 | 173.4 | 5.4 | 0 | 0 | 0 | 109.5 | K1942 T1943 Q1944 S1945 K1947 | D1940-K1942 PolarHBondContact O-N 3.03Å; D1940-K1942 PolarHBondContact OD1-N 3.2Å; D1940-K1942 VanDerWaalsContact OD1-N 3.15Å; D1940-T1943 WeakPolarHBondContact CB-OG1 3.06Å; D1940-T1943 CarbonylContact O-C 3.57Å; D1940-T1943 PolarHBondContact O-N 2.88Å; D1940-T1943 PolarHBondContact O-OG1 3.06Å; D1940-T1943 WeakPolarHBondContact OD2-CG2 3.06Å; D1940-T1943 PolarHBondContact OD2-OG1 3.18Å; D1940-Q1944 PolarHBondContact O-N 3.19Å; D1940-S1945 WeakPolarHBondContact CB-O 3.35Å; D1940-S1945 PolarHBondContact N-O 3.38Å; D1940-K1947 IonicContact OD2-NZ 2.64Å; D1940-K1947 PolarHBondContact OD2-NZ 2.94Å |
| 1941 | G | 39.5 | Very low | 57 | Low | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1939 | H1939-G1941 PolarHBondContact O-N 3.48Š|
| 1942 | K | 39 | Very low | 58 | Low | 148 Ų | 148 | 53.1 Ų | 53.1 | 64% | 0.643 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.2 | 174 | -67 | -156.9 | 172.1 | -152.5 | 0 | 114 | K391 D1940 | K391-K1942 PolarHBondContact O-NZ 2.99Å; D1940-K1942 PolarHBondContact O-N 3.03Å; D1940-K1942 PolarHBondContact OD1-N 3.2Å; D1940-K1942 VanDerWaalsContact OD1-N 3.15Å |
| 1943 | T | 39 | Very low | 58.4 | Low | 78 Ų | 78 | 54.1 Ų | 54.1 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -2.3 | 177.2 | 62.2 | 0 | 0 | 0 | 0 | 114 | D1940 S1945 | D1940-T1943 WeakPolarHBondContact CB-OG1 3.06Å; D1940-T1943 CarbonylContact O-C 3.57Å; D1940-T1943 PolarHBondContact O-N 2.88Å; D1940-T1943 PolarHBondContact O-OG1 3.06Å; D1940-T1943 WeakPolarHBondContact OD2-CG2 3.06Å; D1940-T1943 PolarHBondContact OD2-OG1 3.18Å; T1943-S1945 PolarHBondContact O-N 3.46Å; T1943-S1945 PolarHBondContact OG1-OG 2.93Å |
| 1944 | Q | 39.2 | Very low | 58.3 | Low | 169 Ų | 169 | 55.5 Ų | 55.5 | 79% | 0.79 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 24.1 | -169.3 | -61.6 | -175.5 | -2.7 | 0 | 0 | 113.3 | D1940 | D1940-Q1944 PolarHBondContact O-N 3.19Š|
| 1945 | S | 43.2 | Very low | 58 | Low | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.7 | -176.4 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | D1940 T1943 K1947 | D1940-S1945 WeakPolarHBondContact CB-O 3.35Å; D1940-S1945 PolarHBondContact N-O 3.38Å; T1943-S1945 PolarHBondContact O-N 3.46Å; T1943-S1945 PolarHBondContact OG1-OG 2.93Å; S1945-K1947 WeakPolarHBondContact OG-CE 3.26Å |
| 1946 | T | 46.2 | Very low | 57.6 | Low | 53 Ų | 53 | 62.9 Ų | 62.9 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.3 | -178.1 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | M1869 I1938 H1939 | M1869-T1946 HydrophobicContact CG-CG2 4.34Å; M1869-T1946 HydrophobicContact SD-CG2 3.61Å; I1938-T1946 CarbonylContact O-C 3.58Å; I1938-T1946 VanDerWaalsContact O-CA 3.31Å; I1938-T1946 WeakPolarHBondContact O-CA 3.38Å; H1939-T1946 HydrophobicContact CB-CG2 4.37Å |
| 1947 | K | 56.9 | Low | 57.5 | Low | 85 Ų | 85 | 64.7 Ų | 64.7 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.4 | -175.1 | -65.4 | 161.9 | -171.9 | 157 | 0 | 110.2 | I1938 D1940 S1945 | I1938-K1947 PolarHBondContact N-O 2.97Å; I1938-K1947 PolarHBondContact O-N 2.88Å; D1940-K1947 IonicContact OD2-NZ 2.64Å; D1940-K1947 PolarHBondContact OD2-NZ 2.94Å; S1945-K1947 WeakPolarHBondContact OG-CE 3.26Å |
| 1948 | F | 66.5 | Low | 57.9 | Low | 34 Ų | 34 | 64.7 Ų | 64.7 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.9 | 173.2 | -68.5 | -82.4 | 0 | 0 | 0 | 110.8 | F1863 Y1878 S1936 L1937 N1961 C1962 L1964 | F1863-F1948 HydrophobicContact CD2-CE2 4.44Å; F1863-F1948 HydrophobicContact CD2-CZ 4.48Å; F1863-F1948 HydrophobicContact CE1-CD2 4.33Å; F1863-F1948 AromaticContact CE1-CE2 3.83Å; F1863-F1948 HydrophobicContact CE1-CE2 3.83Å; F1863-F1948 AromaticContact CE2-CE2 3.75Å; F1863-F1948 HydrophobicContact CE2-CE2 3.75Å; F1863-F1948 AromaticContact CE2-CZ 3.83Å; F1863-F1948 HydrophobicContact CE2-CZ 3.83Å; F1863-F1948 HydrophobicContact CZ-CD2 4.33Å; F1863-F1948 AromaticContact CZ-CE2 3.41Å; F1863-F1948 HydrophobicContact CZ-CE2 3.41Å; F1863-F1948 VanDerWaalsContact CZ-CE2 3.41Å; F1863-F1948 AromaticContact CZ-CZ 3.96Å; F1863-F1948 HydrophobicContact CZ-CZ 3.96Å; Y1878-F1948 HydrophobicContact CE2-CD1 4.48Å; Y1878-F1948 AromaticContact CE2-CE1 3.51Å; Y1878-F1948 HydrophobicContact CE2-CE1 3.51Å; Y1878-F1948 AromaticContact CE2-CZ 3.92Å; Y1878-F1948 HydrophobicContact CE2-CZ 3.92Å; Y1878-F1948 AromaticContact CZ-CE1 3.74Å; Y1878-F1948 WeakPolarHBondContact OH-CD1 3.36Å; Y1878-F1948 VanDerWaalsContact OH-CE1 3.23Å; Y1878-F1948 WeakPolarHBondContact OH-CE1 3.49Å; S1936-F1948 WeakPolarHBondContact O-CA 3.35Å; L1937-F1948 HydrophobicContact CB-CD1 4.1Å; L1937-F1948 HydrophobicContact CB-CE1 3.72Å; L1937-F1948 HydrophobicContact CB-CZ 4.3Å; L1937-F1948 HydrophobicContact CD1-CD1 3.93Å; L1937-F1948 HydrophobicContact CD1-CD2 3.92Å; L1937-F1948 HydrophobicContact CD1-CE1 3.67Å; L1937-F1948 HydrophobicContact CD1-CE2 3.66Å; L1937-F1948 HydrophobicContact CD1-CG 4.05Å; L1937-F1948 HydrophobicContact CD1-CZ 3.54Å; L1937-F1948 HydrophobicContact CD2-CE1 4.47Å; L1937-F1948 HydrophobicContact CD2-CZ 4.26Å; L1937-F1948 HydrophobicContact CG-CE1 4.15Å; L1937-F1948 HydrophobicContact CG-CZ 4.25Å; F1948-N1961 WeakPolarHBondContact O-CA 3.3Å; F1948-C1962 PolarHBondContact O-N 3.25Å; F1948-L1964 HydrophobicContact CB-CD1 3.5Å; F1948-L1964 VanDerWaalsContact CB-CD1 3.5Å; F1948-L1964 HydrophobicContact CB-CG 4.14Å; F1948-L1964 HydrophobicContact CD1-CD1 4.05Å; F1948-L1964 HydrophobicContact CD2-CD1 3.48Å; F1948-L1964 VanDerWaalsContact CD2-CD1 3.48Å; F1948-L1964 HydrophobicContact CE2-CD1 4.15Å; F1948-L1964 HydrophobicContact CG-CD1 3.41Å; F1948-L1964 VanDerWaalsContact CG-CD1 3.41Å |
| 1949 | G | 71.4 | Confident | 59 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -170.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1894 C1935 S1936 F1959 E1960 C1962 | W1894-G1949 VanDerWaalsContact CZ2-O 3.26Å; W1894-G1949 WeakPolarHBondContact CZ2-O 3.46Å; C1935-G1949 WeakPolarHBondContact CA-O 3.29Å; S1936-G1949 PolarHBondContact N-O 3.23Å; S1936-G1949 VanDerWaalsContact N-O 3.07Å; S1936-G1949 PolarHBondContact O-N 2.86Å; G1949-F1959 VanDerWaalsContact C-CE2 3.47Å; G1949-F1959 VanDerWaalsContact CA-CZ 3.4Å; G1949-E1960 CarbonylContact C-O 3.48Å; G1949-E1960 WeakPolarHBondContact CA-O 3.37Å; G1949-C1962 VanDerWaalsContact C-SG 3.57Å |
| 1950 | C | 75.8 | Confident | 60.4 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163.2 | 174.6 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | C1891 W1894 F1959 E1960 | C1891-C1950 VanDerWaalsContact CA-SG 3.5Å; C1891-C1950 HydrophobicContact CB-CB 3.54Å; C1891-C1950 WeakPolarHBondContact CB-SG 3.46Å; C1891-C1950 WeakPolarHBondContact SG-CB 3.29Å; C1891-C1950 CovalentContact SG-SG 2.03Å; C1891-C1950 PolarHBondContact SG-SG 3.47Å; W1894-C1950 HydrophobicContact CZ2-CB 4.29Å; C1950-F1959 VanDerWaalsContact N-CE2 3.34Å; C1950-F1959 WeakPolarHBondContact O-CD2 3.46Å; C1950-E1960 PolarHBondContact N-O 2.85Å; C1950-E1960 PolarHBondContact O-N 3.29Å |
| 1951 | Y | 79.7 | Confident | 62 | Low | 46 Ų | 46 | 64 Ų | 64 | 18% | 0.18 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141.5 | 165.5 | -69.1 | -87.8 | 0 | 0 | 0 | 110.1 | L1892 W1894 I1897 P1957 M1958 F1959 | L1892-Y1951 WeakPolarHBondContact CG-O 3.25Å; L1892-Y1951 PolarHBondContact N-O 3.27Å; W1894-Y1951 HydrophobicContact CD2-CD2 4.43Å; W1894-Y1951 AromaticContact CE3-CD2 3.76Å; W1894-Y1951 HydrophobicContact CE3-CD2 3.76Å; W1894-Y1951 AromaticContact CE3-CE2 3.76Å; W1894-Y1951 HydrophobicContact CE3-CE2 3.76Å; W1894-Y1951 AromaticContact CZ3-CD2 3.86Å; W1894-Y1951 HydrophobicContact CZ3-CD2 3.86Å; W1894-Y1951 AromaticContact CZ3-CE2 3.66Å; W1894-Y1951 HydrophobicContact CZ3-CE2 3.66Å; I1897-Y1951 HydrophobicContact CB-CD2 4.49Å; I1897-Y1951 HydrophobicContact CD1-CD1 4.13Å; I1897-Y1951 HydrophobicContact CD1-CD2 4.45Å; I1897-Y1951 HydrophobicContact CD1-CG 3.84Å; I1897-Y1951 HydrophobicContact CG1-CD1 4.25Å; I1897-Y1951 HydrophobicContact CG1-CD2 3.79Å; I1897-Y1951 HydrophobicContact CG1-CE2 4.4Å; I1897-Y1951 HydrophobicContact CG1-CG 3.7Å; I1897-Y1951 HydrophobicContact CG2-CD1 4.19Å; I1897-Y1951 HydrophobicContact CG2-CD2 4.42Å; I1897-Y1951 HydrophobicContact CG2-CE1 4.02Å; I1897-Y1951 HydrophobicContact CG2-CE2 4.26Å; I1897-Y1951 HydrophobicContact CG2-CG 4.37Å; Y1951-P1957 HydrophobicContact CD1-CB 4.46Å; Y1951-P1957 HydrophobicContact CE1-CB 4.31Å; Y1951-M1958 WeakPolarHBondContact CA-O 3.21Å; Y1951-F1959 HydrophobicContact CD1-CB 4.22Å; Y1951-F1959 HydrophobicContact CD2-CD2 4.3Å; Y1951-F1959 HydrophobicContact CE1-CB 4.09Å; Y1951-F1959 HydrophobicContact CE2-CD2 4.28Å; Y1951-F1959 HydrophobicContact CG-CD2 4.46Å |
| 1952 | I | 80.8 | Confident | 63.4 | Low | 20 Ų | 20 | 61.8 Ų | 61.8 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -7.1 | -178.1 | 55.3 | 128.8 | 0 | 0 | 0 | 112.9 | R1889 M1958 E1960 | R1889-I1952 HydrophobicContact CB-CB 4.23Å; R1889-I1952 HydrophobicContact CB-CG2 3.96Å; R1889-I1952 VanDerWaalsContact CD-CD1 3.46Å; R1889-I1952 VanDerWaalsContact NH1-CD1 3.33Å; I1952-M1958 HydrophobicContact CD1-CB 3.81Å; I1952-M1958 HydrophobicContact CD1-CE 4.37Å; I1952-M1958 HydrophobicContact CD1-SD 4.34Å; I1952-M1958 HydrophobicContact CG1-CB 3.79Å; I1952-M1958 VanDerWaalsContact CG1-O 3.27Å; I1952-M1958 WeakPolarHBondContact CG1-O 3.41Å; I1952-M1958 PolarHBondContact N-O 3.4Å; I1952-E1960 HydrophobicContact CD1-CG 3.83Å; I1952-E1960 VanDerWaalsContact CD1-OE1 3.25Å; I1952-E1960 WeakPolarHBondContact CD1-OE1 3.5Å; I1952-E1960 HydrophobicContact CG1-CB 4.34Å; I1952-E1960 HydrophobicContact CG1-CG 3.9Å; I1952-E1960 HydrophobicContact CG2-CB 4.21Å |
| 1953 | S | 74.4 | Confident | 64.5 | Low | 31 Ų | 31 | 57.9 Ų | 57.9 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 144.5 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | L1892 N1955 P1956 P1957 M1958 | L1892-S1953 VanDerWaalsContact CD1-C 3.48Å; S1953-N1955 PolarHBondContact OG-O 2.75Å; S1953-P1956 VanDerWaalsContact CB-O 3.31Å; S1953-P1956 WeakPolarHBondContact CB-O 3.32Å; S1953-P1956 PolarHBondContact OG-O 2.89Å; S1953-P1957 WeakPolarHBondContact O-CA 3.31Å; S1953-M1958 PolarHBondContact O-N 2.89Å; S1953-M1958 VanDerWaalsContact O-N 3.15Å |
| 1954 | I | 67.9 | Low | 65.4 | Low | 35 Ų | 35 | 55.8 Ų | 55.8 | 18% | 0.179 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -44.9 | 173.8 | -50.4 | -176.3 | 0 | 0 | 0 | 110.3 | Y1758 L1892 L1896 I1897 P1956 P1957 | Y1758-I1954 HydrophobicContact CD1-CD1 3.77Å; Y1758-I1954 HydrophobicContact CE1-CD1 3.53Å; L1892-I1954 HydrophobicContact CD1-CD1 4.49Å; L1892-I1954 HydrophobicContact CD1-CG1 3.57Å; L1896-I1954 HydrophobicContact CB-CD1 4.1Å; I1897-I1954 HydrophobicContact CD1-CB 4.43Å; I1897-I1954 HydrophobicContact CD1-CG1 4Å; I1897-I1954 HydrophobicContact CD1-CG2 4.47Å; I1954-P1956 VanDerWaalsContact C-C 3.48Å; I1954-P1956 CarbonylContact C-O 3.6Å; I1954-P1956 CarbonylContact O-C 3.56Å; I1954-P1957 VanDerWaalsContact O-CA 3.26Å; I1954-P1957 WeakPolarHBondContact O-CA 3.44Å; I1954-P1957 VanDerWaalsContact O-CD 3.31Å; I1954-P1957 WeakPolarHBondContact O-CD 3.24Å |
| 1955 | N | 62.5 | Low | 66.1 | Low | 112 Ų | 112 | 51.7 Ų | 51.7 | 60% | 0.599 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 108.1 | -176.8 | -168.5 | -5.3 | 0 | 0 | 0 | 111.5 | E1782 S1953 | E1782-N1955 PolarHBondContact OE1-ND2 3.42Å; S1953-N1955 PolarHBondContact OG-O 2.75Å |
| 1956 | P | 57.9 | Low | 66.4 | Low | 83 Ų | 83 | 55.4 Ų | 55.4 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -65.6 | 159.8 | -14.7 | 31 | -36 | 0 | 0 | 0 | 111.2 | S1953 I1954 M1958 | S1953-P1956 VanDerWaalsContact CB-O 3.31Å; S1953-P1956 WeakPolarHBondContact CB-O 3.32Å; S1953-P1956 PolarHBondContact OG-O 2.89Å; I1954-P1956 VanDerWaalsContact C-C 3.48Å; I1954-P1956 CarbonylContact C-O 3.6Å; I1954-P1956 CarbonylContact O-C 3.56Å; P1956-M1958 HydrophobicContact CG-CG 4.42Å; P1956-M1958 PolarHBondContact O-N 3.2Å |
| 1957 | P | 60.8 | Low | 66.5 | Low | 85 Ų | 85 | 55.6 Ų | 55.6 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 98.6 | -178.5 | 26.6 | -33.5 | 0 | 0 | 0 | 110.4 | Y1951 S1953 I1954 | Y1951-P1957 HydrophobicContact CD1-CB 4.46Å; Y1951-P1957 HydrophobicContact CE1-CB 4.31Å; S1953-P1957 WeakPolarHBondContact O-CA 3.31Å; I1954-P1957 VanDerWaalsContact O-CA 3.26Å; I1954-P1957 WeakPolarHBondContact O-CA 3.44Å; I1954-P1957 VanDerWaalsContact O-CD 3.31Å; I1954-P1957 WeakPolarHBondContact O-CD 3.24Å |
| 1958 | M | 69.2 | Low | 65.9 | Low | 82 Ų | 82 | 58.5 Ų | 58.5 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.8 | 179.9 | -62.8 | -173.8 | 69.9 | 0 | 0 | 110.3 | Y1951 I1952 S1953 P1956 | Y1951-M1958 WeakPolarHBondContact CA-O 3.21Å; I1952-M1958 HydrophobicContact CD1-CB 3.81Å; I1952-M1958 HydrophobicContact CD1-CE 4.37Å; I1952-M1958 HydrophobicContact CD1-SD 4.34Å; I1952-M1958 HydrophobicContact CG1-CB 3.79Å; I1952-M1958 VanDerWaalsContact CG1-O 3.27Å; I1952-M1958 WeakPolarHBondContact CG1-O 3.41Å; I1952-M1958 PolarHBondContact N-O 3.4Å; S1953-M1958 PolarHBondContact O-N 2.89Å; S1953-M1958 VanDerWaalsContact O-N 3.15Å; P1956-M1958 HydrophobicContact CG-CG 4.42Å; P1956-M1958 PolarHBondContact O-N 3.2Å |
| 1959 | F | 77.7 | Confident | 64.4 | Low | 69 Ų | 69 | 67.6 Ų | 67.6 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.8 | 169.8 | -177.9 | -97.8 | 0 | 0 | 0 | 110.1 | W1894 I1938 G1949 C1950 Y1951 | W1894-F1959 AromaticContact CH2-CE2 3.77Å; W1894-F1959 HydrophobicContact CH2-CE2 3.77Å; W1894-F1959 HydrophobicContact CZ3-CE2 4.36Å; I1938-F1959 HydrophobicContact CD1-CD2 3.98Å; I1938-F1959 HydrophobicContact CD1-CE1 4.3Å; I1938-F1959 HydrophobicContact CD1-CE2 3.35Å; I1938-F1959 HydrophobicContact CD1-CZ 3.51Å; I1938-F1959 HydrophobicContact CG1-CE2 4.23Å; I1938-F1959 HydrophobicContact CG1-CZ 4.17Å; G1949-F1959 VanDerWaalsContact C-CE2 3.47Å; G1949-F1959 VanDerWaalsContact CA-CZ 3.4Å; C1950-F1959 VanDerWaalsContact N-CE2 3.34Å; C1950-F1959 WeakPolarHBondContact O-CD2 3.46Å; Y1951-F1959 HydrophobicContact CD1-CB 4.22Å; Y1951-F1959 HydrophobicContact CD2-CD2 4.3Å; Y1951-F1959 HydrophobicContact CE1-CB 4.09Å; Y1951-F1959 HydrophobicContact CE2-CD2 4.28Å; Y1951-F1959 HydrophobicContact CG-CD2 4.46Å |
| 1960 | E | 77.7 | Confident | 62.4 | Low | 27 Ų | 27 | 72.4 Ų | 72.4 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.6 | 172.2 | -76.2 | -179.5 | 177.4 | 0 | 0 | 110.1 | S1885 T1887 R1889 G1949 C1950 I1952 | S1885-E1960 WeakPolarHBondContact CB-OE2 3.49Å; S1885-E1960 PolarHBondContact OG-OE2 3.43Å; T1887-E1960 PolarHBondContact OG1-OE2 3.3Å; R1889-E1960 IonicContact CZ-OE1 2.74Å; R1889-E1960 IonicContact NH1-OE1 2.69Å; R1889-E1960 PolarHBondContact NH1-OE1 2.95Å; G1949-E1960 CarbonylContact C-O 3.48Å; G1949-E1960 WeakPolarHBondContact CA-O 3.37Å; C1950-E1960 PolarHBondContact N-O 2.85Å; C1950-E1960 PolarHBondContact O-N 3.29Å; I1952-E1960 HydrophobicContact CD1-CG 3.83Å; I1952-E1960 VanDerWaalsContact CD1-OE1 3.25Å; I1952-E1960 WeakPolarHBondContact CD1-OE1 3.5Å; I1952-E1960 HydrophobicContact CG1-CB 4.34Å; I1952-E1960 HydrophobicContact CG1-CG 3.9Å; I1952-E1960 HydrophobicContact CG2-CB 4.21Å |
| 1961 | N | 76 | Confident | 60.2 | Low | 87 Ų | 87 | 78.5 Ų | 78.5 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 154.8 | 166.8 | -66.6 | -19.6 | 0 | 0 | 0 | 109.9 | S1885 V1886 F1948 | S1885-N1961 CarbonylContact C-O 3.52Å; V1886-N1961 HydrophobicContact CG1-CB 4.07Å; V1886-N1961 WeakPolarHBondContact CG1-O 3.22Å; V1886-N1961 WeakPolarHBondContact CG2-O 3.48Å; V1886-N1961 PolarHBondContact N-O 2.93Å; F1948-N1961 WeakPolarHBondContact O-CA 3.3Å |
| 1962 | C | 69.5 | Low | 57.7 | Low | 11 Ų | 11 | 81.2 Ų | 81.2 | 7% | 0.074 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -93.5 | 150.3 | 174.3 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | I1882 C1935 F1948 G1949 L1964 | I1882-C1962 HydrophobicContact CG2-CB 4.47Å; C1935-C1962 HydrophobicContact CB-CB 3.67Å; C1935-C1962 WeakPolarHBondContact CB-SG 3.32Å; C1935-C1962 WeakPolarHBondContact SG-CB 3.24Å; C1935-C1962 CovalentContact SG-SG 2.01Å; C1935-C1962 PolarHBondContact SG-SG 2.82Å; F1948-C1962 PolarHBondContact O-N 3.25Å; G1949-C1962 VanDerWaalsContact C-SG 3.57Å; C1962-L1964 HydrophobicContact CB-CD2 4.34Å; C1962-L1964 HydrophobicContact CB-CG 4.49Å; C1962-L1964 PolarHBondContact O-N 2.68Å |
| 1963 | S | 62.5 | Low | 55.1 | Low | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | trans | -76 | 68 | 172.6 | -159.7 | 0 | 0 | 0 | 0 | 110.6 | I1965 | S1963-I1965 PolarHBondContact O-N 3.25Š| ||
| 1964 | L | 57.5 | Low | 53.1 | Low | 34 Ų | 34 | 91 Ų | 91 | 18% | 0.178 | 51% | 0.505 | C | S | . | . | trans | -69.9 | 99.9 | 169.2 | -62.3 | -165.7 | 0 | 0 | 0 | 108.5 | F1863 T1880 I1882 F1948 C1962 Q1966 | F1863-L1964 HydrophobicContact CB-CB 4.15Å; F1863-L1964 HydrophobicContact CB-CD1 4.03Å; F1863-L1964 HydrophobicContact CD1-CD1 3.86Å; F1863-L1964 HydrophobicContact CD2-CD1 4.48Å; F1863-L1964 HydrophobicContact CE1-CD1 4.49Å; F1863-L1964 HydrophobicContact CG-CD1 3.86Å; T1880-L1964 HydrophobicContact CG2-CD2 4.22Å; I1882-L1964 HydrophobicContact CD1-CD2 3.59Å; F1948-L1964 HydrophobicContact CB-CD1 3.5Å; F1948-L1964 VanDerWaalsContact CB-CD1 3.5Å; F1948-L1964 HydrophobicContact CB-CG 4.14Å; F1948-L1964 HydrophobicContact CD1-CD1 4.05Å; F1948-L1964 HydrophobicContact CD2-CD1 3.48Å; F1948-L1964 VanDerWaalsContact CD2-CD1 3.48Å; F1948-L1964 HydrophobicContact CE2-CD1 4.15Å; F1948-L1964 HydrophobicContact CG-CD1 3.41Å; F1948-L1964 VanDerWaalsContact CG-CD1 3.41Å; C1962-L1964 HydrophobicContact CB-CD2 4.34Å; C1962-L1964 HydrophobicContact CB-CG 4.49Å; C1962-L1964 PolarHBondContact O-N 2.68Å; L1964-Q1966 PolarHBondContact O-N 3.46Å; L1964-Q1966 VanDerWaalsContact O-N 3.14Å | ||
| 1965 | I | 55.2 | Low | 51.3 | Low | 84 Ų | 84 | 91.4 Ų | 91.4 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 118.4 | 169.7 | -59.1 | 175.1 | 0 | 0 | 0 | 106.4 | C1862 F1863 S1963 C1967 L1968 | C1862-I1965 CarbonylContact C-O 3.49Å; C1862-I1965 WeakPolarHBondContact CA-O 3.31Å; C1862-I1965 WeakPolarHBondContact CB-O 3.4Å; F1863-I1965 PolarHBondContact N-O 3.45Å; S1963-I1965 PolarHBondContact O-N 3.25Å; I1965-C1967 PolarHBondContact O-N 2.75Å; I1965-L1968 HydrophobicContact CG2-CD1 4.28Å |
| 1966 | Q | 48.4 | Very low | 49.7 | Very low | 121 Ų | 121 | 98.1 Ų | 98.1 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136.3 | 168.3 | -176.9 | 175.1 | 9 | 0 | 0 | 107.9 | F1863 P1865 L1964 L1968 | F1863-Q1966 WeakPolarHBondContact O-CA 3.25Å; P1865-Q1966 HydrophobicContact CG-CG 4.35Å; L1964-Q1966 PolarHBondContact O-N 3.46Å; L1964-Q1966 VanDerWaalsContact O-N 3.14Å; Q1966-L1968 WeakPolarHBondContact O-CG 3.31Å; Q1966-L1968 PolarHBondContact O-N 3.35Å |
| 1967 | C | 48 | Very low | 48.7 | Very low | 56 Ų | 56 | 99.6 Ų | 99.6 | 38% | 0.378 | 55% | 0.548 | S | S | . | . | trans | -57.9 | 92.2 | -173.9 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | C1862 F1863 I1965 Y1969 | C1862-C1967 HydrophobicContact CB-CB 3.87Å; C1862-C1967 WeakPolarHBondContact CB-SG 3.31Å; C1862-C1967 WeakPolarHBondContact SG-CA 3.42Å; C1862-C1967 WeakPolarHBondContact SG-CB 3.43Å; C1862-C1967 CovalentContact SG-SG 2.04Å; C1862-C1967 PolarHBondContact SG-SG 2.89Å; F1863-C1967 PolarHBondContact O-N 2.96Å; F1863-C1967 VanDerWaalsContact O-N 3.08Å; I1965-C1967 PolarHBondContact O-N 2.75Å; C1967-Y1969 PolarHBondContact O-N 3.45Å | ||
| 1968 | L | 44.2 | Very low | 47.6 | Very low | 147 Ų | 147 | 101.1 Ų | 101.1 | 77% | 0.77 | 55% | 0.55 | S | S | * | * | trans | -82.6 | 109.3 | 179.9 | -81.1 | 157.2 | 0 | 0 | 0 | 108.7 | I1965 Q1966 S1970 | I1965-L1968 HydrophobicContact CG2-CD1 4.28Å; Q1966-L1968 WeakPolarHBondContact O-CG 3.31Å; Q1966-L1968 PolarHBondContact O-N 3.35Å; L1968-S1970 PolarHBondContact O-N 2.96Å | ||
| 1969 | Y | 35.3 | Very low | 46.1 | Very low | 225 Ų | 225 | 103.1 Ų | 103.1 | 88% | 0.882 | 56% | 0.558 | S | S | * | * | trans | -63.5 | 94.7 | 176.6 | -74.4 | -88.9 | 0 | 0 | 0 | 111.3 | C1967 V1971 | C1967-Y1969 PolarHBondContact O-N 3.45Å; Y1969-V1971 PolarHBondContact O-N 2.98Å | ||
| 1970 | S | 30.2 | Very low | 44.3 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 70% | 0.699 | 58% | 0.583 | S | S | * | * | trans | -68.5 | 107.1 | 156.4 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | L1968 | L1968-S1970 PolarHBondContact O-N 2.96Š| ||
| 1971 | V | 28.5 | Very low | 42.6 | Very low | 128 Ų | 128 | 112.2 Ų | 112.2 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -58.7 | 122 | 161.9 | -179.6 | 0 | 0 | 0 | 0 | 106.2 | Y1969 T1973 | Y1969-V1971 PolarHBondContact O-N 2.98Å; V1971-T1973 PolarHBondContact O-N 2.94Å; V1971-T1973 VanDerWaalsContact O-N 3.08Å | ||
| 1972 | P | 27.8 | Very low | 41.3 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | trans | -68.9 | 112 | -153.9 | 22.4 | -34.3 | 0 | 0 | 0 | 113.1 | V1974 | P1972-V1974 VanDerWaalsContact C-N 3.27Å; P1972-V1974 HydrophobicContact CB-CG2 4.49Å; P1972-V1974 PolarHBondContact O-N 2.8Å | ||
| 1973 | T | 26.7 | Very low | 40.8 | Very low | 141 Ų | 141 | 111.6 Ų | 111.6 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | trans | -75.4 | 78.1 | 168.3 | 43.9 | 0 | 0 | 0 | 0 | 110.4 | V1971 G1975 | V1971-T1973 PolarHBondContact O-N 2.94Å; V1971-T1973 VanDerWaalsContact O-N 3.08Å; T1973-G1975 PolarHBondContact O-N 3.19Å | ||
| 1974 | V | 31.3 | Very low | 41.2 | Very low | 114 Ų | 114 | 113 Ų | 113 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | trans | -60.1 | 110.5 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | P1972 | P1972-V1974 VanDerWaalsContact C-N 3.27Å; P1972-V1974 HydrophobicContact CB-CG2 4.49Å; P1972-V1974 PolarHBondContact O-N 2.8Å | ||
| 1975 | G | 31 | Very low | 41.5 | Very low | 44 Ų | 44 | 117.6 Ų | 117.6 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | trans | 51 | 77.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | T1973 S1977 | T1973-G1975 PolarHBondContact O-N 3.19Å; G1975-S1977 PolarHBondContact O-N 2.84Å | ||
| 1976 | R | 29.2 | Very low | 42.1 | Very low | 253 Ų | 253 | 119 Ų | 119 | 96% | 0.955 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 72.5 | 153.5 | -109 | -169.4 | 176.4 | -174.7 | 0.1 | 110.5 | ||
| 1977 | S | 37 | Very low | 43.2 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.4 | -9.6 | 157.2 | -100.5 | 0 | 0 | 0 | 0 | 115.2 | G1975 | G1975-S1977 PolarHBondContact O-N 2.84Š|
| 1978 | I | 37 | Very low | 44.5 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -16.4 | 172.1 | -66 | 178.1 | 0 | 0 | 0 | 112.2 | W1980 S1981 S1982 | I1978-W1980 PolarHBondContact O-N 2.85Å; I1978-S1981 PolarHBondContact O-N 2.69Å; I1978-S1981 PolarHBondContact O-OG 3.45Å; I1978-S1982 PolarHBondContact O-N 3.12Å; I1978-S1982 PolarHBondContact O-OG 2.99Å |
| 1979 | H | 38.1 | Very low | 45.7 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 57% | 0.569 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57.1 | -15.7 | -177.7 | -100.1 | -69.5 | 0 | 0 | 0 | 116.6 | G1983 | H1979-G1983 VanDerWaalsContact O-CA 3.29Å; H1979-G1983 WeakPolarHBondContact O-CA 3.32Å; H1979-G1983 PolarHBondContact O-N 3.14Å; H1979-G1983 VanDerWaalsContact O-N 3.09Å |
| 1980 | W | 39.7 | Very low | 47.5 | Very low | 217 Ų | 217 | 114.6 Ų | 114.6 | 82% | 0.822 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.7 | -48 | 171 | -81.9 | 74 | 0 | 0 | 0 | 112.4 | I1978 I1984 | I1978-W1980 PolarHBondContact O-N 2.85Å; W1980-I1984 WeakPolarHBondContact O-CB 3.46Å; W1980-I1984 WeakPolarHBondContact O-CD1 3.3Å; W1980-I1984 WeakPolarHBondContact O-CG1 3.42Å; W1980-I1984 PolarHBondContact O-N 3.27Å |
| 1981 | S | 41.6 | Very low | 49.6 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.7 | -42.6 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | I1978 G1983 I1984 M1985 | I1978-S1981 PolarHBondContact O-N 2.69Å; I1978-S1981 PolarHBondContact O-OG 3.45Å; S1981-G1983 VanDerWaalsContact C-N 3.34Å; S1981-I1984 PolarHBondContact O-N 3.33Å; S1981-M1985 WeakPolarHBondContact O-CG 3.39Å; S1981-M1985 PolarHBondContact O-N 3.12Å |
| 1982 | S | 48.6 | Very low | 51.7 | Low | 54 Ų | 54 | 111 Ų | 111 | 38% | 0.378 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.5 | -35.9 | 172.8 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | I1978 M1985 L1986 | I1978-S1982 PolarHBondContact O-N 3.12Å; I1978-S1982 PolarHBondContact O-OG 2.99Å; S1982-M1985 PolarHBondContact O-N 3.37Å; S1982-L1986 VanDerWaalsContact O-CB 3.23Å; S1982-L1986 WeakPolarHBondContact O-CB 3.19Å; S1982-L1986 PolarHBondContact O-N 3.24Å |
| 1983 | G | 58.3 | Low | 53.3 | Low | 30 Ų | 30 | 108.7 Ų | 108.7 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | H1979 S1981 F1987 | H1979-G1983 VanDerWaalsContact O-CA 3.29Å; H1979-G1983 WeakPolarHBondContact O-CA 3.32Å; H1979-G1983 PolarHBondContact O-N 3.14Å; H1979-G1983 VanDerWaalsContact O-N 3.09Å; S1981-G1983 VanDerWaalsContact C-N 3.34Å; G1983-F1987 VanDerWaalsContact O-CB 3.26Å; G1983-F1987 WeakPolarHBondContact O-CB 3.46Å; G1983-F1987 PolarHBondContact O-N 3.34Å |
| 1984 | I | 71.3 | Confident | 55.2 | Low | 94 Ų | 94 | 105.4 Ų | 105.4 | 48% | 0.482 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -45.9 | 175.4 | -72.9 | 164.8 | 0 | 0 | 0 | 111 | W1980 S1981 L1986 F1987 I1988 | W1980-I1984 WeakPolarHBondContact O-CB 3.46Å; W1980-I1984 WeakPolarHBondContact O-CD1 3.3Å; W1980-I1984 WeakPolarHBondContact O-CG1 3.42Å; W1980-I1984 PolarHBondContact O-N 3.27Å; S1981-I1984 PolarHBondContact O-N 3.33Å; I1984-L1986 PolarHBondContact O-N 3.28Å; I1984-F1987 PolarHBondContact O-N 3.2Å; I1984-I1988 HydrophobicContact CG2-CD1 3.75Å; I1984-I1988 HydrophobicContact CG2-CG1 4.45Å; I1984-I1988 WeakPolarHBondContact O-CB 3.46Å; I1984-I1988 VanDerWaalsContact O-CG1 3.3Å; I1984-I1988 WeakPolarHBondContact O-CG1 3.46Å; I1984-I1988 PolarHBondContact O-N 3.11Å |
| 1985 | M | 64.9 | Low | 57.1 | Low | 132 Ų | 132 | 105.3 Ų | 105.3 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 178.7 | -67.9 | -65.4 | -85.1 | 0 | 0 | 112 | S1981 S1982 I1988 F1989 | S1981-M1985 WeakPolarHBondContact O-CG 3.39Å; S1981-M1985 PolarHBondContact O-N 3.12Å; S1982-M1985 PolarHBondContact O-N 3.37Å; M1985-I1988 PolarHBondContact O-N 2.92Å; M1985-F1989 WeakPolarHBondContact O-CB 3.23Å; M1985-F1989 PolarHBondContact O-N 3.49Å |
| 1986 | L | 67.6 | Low | 58.3 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 173.1 | -165.1 | 78.1 | 0 | 0 | 0 | 111.4 | S1982 I1984 F1989 I1990 | S1982-L1986 VanDerWaalsContact O-CB 3.23Å; S1982-L1986 WeakPolarHBondContact O-CB 3.19Å; S1982-L1986 PolarHBondContact O-N 3.24Å; I1984-L1986 PolarHBondContact O-N 3.28Å; L1986-F1989 PolarHBondContact O-N 2.93Å; L1986-I1990 HydrophobicContact CD2-CD1 4.09Å; L1986-I1990 HydrophobicContact CG-CD1 3.86Å; L1986-I1990 HydrophobicContact CG-CG1 4.45Å; L1986-I1990 WeakPolarHBondContact O-CB 3.49Å; L1986-I1990 VanDerWaalsContact O-CG1 3.24Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.27Å; L1986-I1990 PolarHBondContact O-N 3.29Å |
| 1987 | F | 71.9 | Confident | 59.5 | Low | 147 Ų | 147 | 100 Ų | 100 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 177.2 | -167.8 | -88.6 | 0 | 0 | 0 | 112 | G1983 I1984 T1991 | G1983-F1987 VanDerWaalsContact O-CB 3.26Å; G1983-F1987 WeakPolarHBondContact O-CB 3.46Å; G1983-F1987 PolarHBondContact O-N 3.34Å; I1984-F1987 PolarHBondContact O-N 3.2Å; F1987-T1991 VanDerWaalsContact O-CB 3.31Å; F1987-T1991 WeakPolarHBondContact O-CB 3.33Å; F1987-T1991 PolarHBondContact O-N 2.78Å; F1987-T1991 PolarHBondContact O-OG1 2.86Å |
| 1988 | I | 74.6 | Confident | 60.7 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 172.8 | -70.3 | 166.7 | 0 | 0 | 0 | 110 | I1984 M1985 T1991 I1992 | I1984-I1988 HydrophobicContact CG2-CD1 3.75Å; I1984-I1988 HydrophobicContact CG2-CG1 4.45Å; I1984-I1988 WeakPolarHBondContact O-CB 3.46Å; I1984-I1988 VanDerWaalsContact O-CG1 3.3Å; I1984-I1988 WeakPolarHBondContact O-CG1 3.46Å; I1984-I1988 PolarHBondContact O-N 3.11Å; M1985-I1988 PolarHBondContact O-N 2.92Å; I1988-T1991 PolarHBondContact O-N 2.89Å; I1988-I1992 HydrophobicContact CG2-CD1 3.77Å; I1988-I1992 HydrophobicContact CG2-CG1 4.49Å; I1988-I1992 WeakPolarHBondContact O-CG1 3.24Å; I1988-I1992 PolarHBondContact O-N 2.82Å |
| 1989 | F | 69.9 | Low | 61.2 | Low | 140 Ų | 140 | 101.3 Ų | 101.3 | 61% | 0.614 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 179.8 | -158.5 | -89.9 | 0 | 0 | 0 | 112 | M1985 L1986 T1991 I1992 C1993 | M1985-F1989 WeakPolarHBondContact O-CB 3.23Å; M1985-F1989 PolarHBondContact O-N 3.49Å; L1986-F1989 PolarHBondContact O-N 2.93Å; F1989-T1991 VanDerWaalsContact C-N 3.35Å; F1989-T1991 PolarHBondContact O-N 3Å; F1989-I1992 PolarHBondContact O-N 2.69Å; F1989-C1993 VanDerWaalsContact CE1-SG 3.54Å; F1989-C1993 WeakPolarHBondContact O-CB 3.26Å; F1989-C1993 PolarHBondContact O-N 2.9Å; F1989-C1993 PolarHBondContact O-SG 2.76Å; F1989-C1993 VanDerWaalsContact O-SG 3.4Å |
| 1990 | I | 73.2 | Confident | 61.6 | Low | 87 Ų | 87 | 99.7 Ų | 99.7 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 172.8 | -71.5 | 168.2 | 0 | 0 | 0 | 110.7 | L1986 C1993 C1994 | L1986-I1990 HydrophobicContact CD2-CD1 4.09Å; L1986-I1990 HydrophobicContact CG-CD1 3.86Å; L1986-I1990 HydrophobicContact CG-CG1 4.45Å; L1986-I1990 WeakPolarHBondContact O-CB 3.49Å; L1986-I1990 VanDerWaalsContact O-CG1 3.24Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.27Å; L1986-I1990 PolarHBondContact O-N 3.29Å; I1990-C1993 PolarHBondContact O-N 3.49Å; I1990-C1994 VanDerWaalsContact O-CB 3.24Å; I1990-C1994 WeakPolarHBondContact O-CB 3.3Å; I1990-C1994 PolarHBondContact O-N 3.39Å; I1990-C1994 PolarHBondContact O-SG 3.39Å |
| 1991 | T | 74.3 | Confident | 61.7 | Low | 58 Ų | 58 | 97.4 Ų | 97.4 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 111 | F1987 I1988 F1989 C1994 I1995 | F1987-T1991 VanDerWaalsContact O-CB 3.31Å; F1987-T1991 WeakPolarHBondContact O-CB 3.33Å; F1987-T1991 PolarHBondContact O-N 2.78Å; F1987-T1991 PolarHBondContact O-OG1 2.86Å; I1988-T1991 PolarHBondContact O-N 2.89Å; F1989-T1991 VanDerWaalsContact C-N 3.35Å; F1989-T1991 PolarHBondContact O-N 3Å; T1991-C1994 PolarHBondContact O-N 3.41Å; T1991-I1995 HydrophobicContact CG2-CD1 3.94Å; T1991-I1995 WeakPolarHBondContact O-CB 3.33Å; T1991-I1995 VanDerWaalsContact O-CG1 3.23Å; T1991-I1995 WeakPolarHBondContact O-CG1 3.37Å; T1991-I1995 PolarHBondContact O-N 3.4Å |
| 1992 | I | 71.1 | Confident | 61.5 | Low | 96 Ų | 96 | 104.9 Ų | 104.9 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 174.1 | -69 | 167.8 | 0 | 0 | 0 | 110.4 | I1988 F1989 C1994 I1995 F1996 | I1988-I1992 HydrophobicContact CG2-CD1 3.77Å; I1988-I1992 HydrophobicContact CG2-CG1 4.49Å; I1988-I1992 WeakPolarHBondContact O-CG1 3.24Å; I1988-I1992 PolarHBondContact O-N 2.82Å; F1989-I1992 PolarHBondContact O-N 2.69Å; I1992-C1994 VanDerWaalsContact C-N 3.33Å; I1992-C1994 PolarHBondContact O-N 3.39Å; I1992-I1995 PolarHBondContact O-N 2.8Å; I1992-F1996 WeakPolarHBondContact O-CB 3.33Å; I1992-F1996 PolarHBondContact O-N 3.35Å |
| 1993 | C | 62.9 | Low | 60.9 | Low | 55 Ų | 55 | 112 Ų | 112 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 176.8 | -75.7 | 0 | 0 | 0 | 0 | 112.7 | F1989 I1990 S1997 | F1989-C1993 VanDerWaalsContact CE1-SG 3.54Å; F1989-C1993 WeakPolarHBondContact O-CB 3.26Å; F1989-C1993 PolarHBondContact O-N 2.9Å; F1989-C1993 PolarHBondContact O-SG 2.76Å; F1989-C1993 VanDerWaalsContact O-SG 3.4Å; I1990-C1993 PolarHBondContact O-N 3.49Å; C1993-S1997 WeakPolarHBondContact O-CB 3.21Å; C1993-S1997 PolarHBondContact O-N 3.23Å; C1993-S1997 PolarHBondContact O-OG 3.39Å |
| 1994 | C | 64.8 | Low | 59.9 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.3 | -42 | 174.2 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | I1990 T1991 I1992 V1998 | I1990-C1994 VanDerWaalsContact O-CB 3.24Å; I1990-C1994 WeakPolarHBondContact O-CB 3.3Å; I1990-C1994 PolarHBondContact O-N 3.39Å; I1990-C1994 PolarHBondContact O-SG 3.39Å; T1991-C1994 PolarHBondContact O-N 3.41Å; I1992-C1994 VanDerWaalsContact C-N 3.33Å; I1992-C1994 PolarHBondContact O-N 3.39Å; C1994-V1998 VanDerWaalsContact O-CB 3.27Å; C1994-V1998 WeakPolarHBondContact O-CB 3.23Å; C1994-V1998 WeakPolarHBondContact O-CG2 3.43Å; C1994-V1998 PolarHBondContact O-N 3Å |
| 1995 | I | 71.3 | Confident | 57.9 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.7 | -49.1 | 173.8 | -71.4 | 165.6 | 0 | 0 | 0 | 110 | T1991 I1992 S1997 V1998 Y1999 | T1991-I1995 HydrophobicContact CG2-CD1 3.94Å; T1991-I1995 WeakPolarHBondContact O-CB 3.33Å; T1991-I1995 VanDerWaalsContact O-CG1 3.23Å; T1991-I1995 WeakPolarHBondContact O-CG1 3.37Å; T1991-I1995 PolarHBondContact O-N 3.4Å; I1992-I1995 PolarHBondContact O-N 2.8Å; I1995-S1997 PolarHBondContact O-N 2.87Å; I1995-V1998 PolarHBondContact O-N 3.42Å; I1995-Y1999 VanDerWaalsContact O-CB 3.27Å; I1995-Y1999 WeakPolarHBondContact O-CB 3.44Å; I1995-Y1999 PolarHBondContact O-N 3.31Å |
| 1996 | F | 56.8 | Low | 56.1 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.9 | -37.9 | -178.8 | -144.7 | -103.5 | 0 | 0 | 0 | 112 | I1992 Y1999 L2000 | I1992-F1996 WeakPolarHBondContact O-CB 3.33Å; I1992-F1996 PolarHBondContact O-N 3.35Å; F1996-Y1999 WeakPolarHBondContact O-CB 3.09Å; F1996-Y1999 PolarHBondContact O-N 2.8Å; F1996-L2000 HydrophobicContact CD1-CD1 3.61Å; F1996-L2000 HydrophobicContact CD1-CG 4.31Å; F1996-L2000 HydrophobicContact CE1-CD1 3.85Å; F1996-L2000 HydrophobicContact CE1-CG 4.49Å; F1996-L2000 WeakPolarHBondContact O-CB 3.27Å; F1996-L2000 WeakPolarHBondContact O-CG 3.35Å; F1996-L2000 PolarHBondContact O-N 3.32Å |
| 1997 | S | 55.5 | Low | 54 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 38% | 0.378 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.8 | -43.5 | 174.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | C1993 I1995 Y1999 L2000 F2001 | C1993-S1997 WeakPolarHBondContact O-CB 3.21Å; C1993-S1997 PolarHBondContact O-N 3.23Å; C1993-S1997 PolarHBondContact O-OG 3.39Å; I1995-S1997 PolarHBondContact O-N 2.87Å; S1997-Y1999 PolarHBondContact O-N 3.46Å; S1997-L2000 PolarHBondContact O-N 3.34Å; S1997-F2001 VanDerWaalsContact O-CB 3.32Å; S1997-F2001 WeakPolarHBondContact O-CB 3.32Å; S1997-F2001 WeakPolarHBondContact O-CD2 3.4Å; S1997-F2001 PolarHBondContact O-N 3.24Å |
| 1998 | V | 61 | Low | 51.9 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 58% | 0.582 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.6 | -31.2 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | C1994 I1995 R2002 | C1994-V1998 VanDerWaalsContact O-CB 3.27Å; C1994-V1998 WeakPolarHBondContact O-CB 3.23Å; C1994-V1998 WeakPolarHBondContact O-CG2 3.43Å; C1994-V1998 PolarHBondContact O-N 3Å; I1995-V1998 PolarHBondContact O-N 3.42Å; V1998-R2002 WeakPolarHBondContact O-CB 3.27Å; V1998-R2002 PolarHBondContact O-N 2.84Å |
| 1999 | Y | 47.6 | Very low | 49.4 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.8 | -40.9 | 174.1 | -163.6 | -95 | 0 | 0 | 0 | 112.4 | I1995 F1996 S1997 | I1995-Y1999 VanDerWaalsContact O-CB 3.27Å; I1995-Y1999 WeakPolarHBondContact O-CB 3.44Å; I1995-Y1999 PolarHBondContact O-N 3.31Å; F1996-Y1999 WeakPolarHBondContact O-CB 3.09Å; F1996-Y1999 PolarHBondContact O-N 2.8Å; S1997-Y1999 PolarHBondContact O-N 3.46Å |
| 2000 | L | 46.8 | Very low | 47.3 | Very low | 89 Ų | 89 | 124 Ų | 124 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.9 | -51.7 | 179.5 | -73.7 | 169.5 | 0 | 0 | 0 | 113.4 | F1996 S1997 R2002 R2003 I2004 | F1996-L2000 HydrophobicContact CD1-CD1 3.61Å; F1996-L2000 HydrophobicContact CD1-CG 4.31Å; F1996-L2000 HydrophobicContact CE1-CD1 3.85Å; F1996-L2000 HydrophobicContact CE1-CG 4.49Å; F1996-L2000 WeakPolarHBondContact O-CB 3.27Å; F1996-L2000 WeakPolarHBondContact O-CG 3.35Å; F1996-L2000 PolarHBondContact O-N 3.32Å; S1997-L2000 PolarHBondContact O-N 3.34Å; L2000-R2002 PolarHBondContact O-N 3.37Å; L2000-R2003 PolarHBondContact O-N 2.68Å; L2000-I2004 PolarHBondContact O-N 3.5Å |
| 2001 | F | 41.6 | Very low | 44.9 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 75% | 0.746 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.9 | -20 | -178.7 | -83 | -84.9 | 0 | 0 | 0 | 113.3 | S1997 R2003 | S1997-F2001 VanDerWaalsContact O-CB 3.32Å; S1997-F2001 WeakPolarHBondContact O-CB 3.32Å; S1997-F2001 WeakPolarHBondContact O-CD2 3.4Å; S1997-F2001 PolarHBondContact O-N 3.24Å; F2001-R2003 PolarHBondContact O-N 2.8Å |
| 2002 | R | 37.4 | Very low | 42.7 | Very low | 227 Ų | 227 | 134.2 Ų | 134.2 | 86% | 0.857 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -3.9 | 170.5 | -162.2 | 171.4 | -173.5 | -170.2 | -0.4 | 113.3 | V1998 L2000 | V1998-R2002 WeakPolarHBondContact O-CB 3.27Å; V1998-R2002 PolarHBondContact O-N 2.84Å; L2000-R2002 PolarHBondContact O-N 3.37Å |
| 2003 | R | 36.2 | Very low | 40.4 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -20.5 | -175.2 | -146.4 | 177.7 | -167.8 | -165.4 | 3.3 | 115.5 | L2000 F2001 | L2000-R2003 PolarHBondContact O-N 2.68Å; F2001-R2003 PolarHBondContact O-N 2.8Å |
| 2004 | I | 36.9 | Very low | 38.7 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -129.4 | 99.8 | 177.5 | -53.4 | -179.1 | 0 | 0 | 0 | 109.8 | L2000 | L2000-I2004 PolarHBondContact O-N 3.5Š|
| 2005 | G | 29.7 | Very low | 36.8 | Very low | 60 Ų | 60 | 156.6 Ų | 156.6 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | trans | -98.6 | 147 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2006 | I | 26.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 162.7 Ų | 162.7 | 80% | 0.795 | 74% | 0.743 | S | S | * | * | trans | 58.7 | 128.7 | 132.5 | -58.3 | 173.4 | 0 | 0 | 0 | 118.7 | ||||
| 2007 | H | 24 | Very low | 33 | Very low | 171 Ų | 171 | 164.5 Ų | 164.5 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | 67.1 | 93.4 | 165.7 | -76.2 | -56.2 | 0 | 0 | 0 | 120.1 | ||||
| 2008 | K | 27 | Very low | 31.7 | Very low | 196 Ų | 196 | 167.7 Ų | 167.7 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | -178.5 | 129.3 | 121.1 | -92.5 | 148.6 | -172.7 | 175.1 | 0 | 107.5 | |||||
| 2009 | C | 22.1 | Very low | 30 | Very low | 111 Ų | 111 | 173.3 Ų | 173.3 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | 71.1 | 135.1 | 67.1 | -68.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2010 | I | 27 | Very low | 28.9 | Very low | 155 Ų | 155 | 171.9 Ų | 171.9 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 119.2 | 165.8 | -56.5 | 169.3 | 0 | 0 | 0 | 118 | ||||
| 2011 | K | 22.6 | Very low | 27.7 | Very low | 188 Ų | 188 | 177.9 Ų | 177.9 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | 7 | 128.3 | 147.9 | -49.4 | 166 | -174.4 | 169.5 | 0 | 119 | ||||
| 2012 | I | 27.2 | Very low | 26.9 | Very low | 173 Ų | 173 | 181.3 Ų | 181.3 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | -130 | 143.2 | 115.7 | -65.5 | -171.6 | 0 | 0 | 0 | 108.1 | |||||
| 2013 | R | 23.7 | Very low | 26.2 | Very low | 223 Ų | 223 | 180.9 Ų | 180.9 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 139.6 | 174.8 | -72.7 | 171.1 | 165.9 | 161.9 | -7.6 | 110.7 | ||||
| 2014 | R | 27.7 | Very low | 25.5 | Very low | 253 Ų | 253 | 176.8 Ų | 176.8 | 96% | 0.955 | 82% | 0.815 | S | S | * | * | trans | -133.8 | 141.4 | 132.8 | -76.2 | -164.5 | 171.3 | 178.7 | -2.7 | 109.2 | ||||
| 2015 | R | 24.4 | Very low | 24.8 | Very low | 216 Ų | 216 | 175 Ų | 175 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | trans | -90.2 | 135.9 | 173.6 | -73.3 | 172.8 | 168.7 | 158.7 | -8.7 | 108.3 | ||||
| 2016 | Y | 24.3 | Very low | 24.5 | Very low | 241 Ų | 241 | 183 Ų | 183 | 95% | 0.945 | 83% | 0.827 | S | S | * | * | trans | -132.3 | 118.6 | 133.1 | -98.3 | -81.9 | 0 | 0 | 0 | 106.9 | ||||
| 2017 | Q | 24.2 | Very low | 24.3 | Very low | 168 Ų | 168 | 185.3 Ų | 185.3 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -142.9 | 153.5 | 174.2 | -108.8 | -174.4 | -33.2 | 0 | 0 | 106.5 | ||||
| 2018 | P | 27.8 | Very low | 24.3 | Very low | 121 Ų | 121 | 188.2 Ų | 188.2 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 150.4 | -159.1 | 28.4 | -36 | 0 | 0 | 0 | 112.9 | ||
| 2019 | F | 25 | Very low | 24 | Very low | 215 Ų | 215 | 187.4 Ų | 187.4 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.7 | 160.6 | -102.1 | -86 | 0 | 0 | 0 | 109.5 | ||
| 2020 | D | 24.4 | Very low | 23.9 | Very low | 133 Ų | 133 | 188 Ų | 188 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 169.1 | -175.9 | -145.9 | -34.2 | 0 | 0 | 0 | 111.9 | ||
| 2021 | R | 22.8 | Very low | 23.7 | Very low | 215 Ų | 215 | 186.9 Ų | 186.9 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 148.6 | 178.6 | -56.7 | 146.1 | 170.5 | 175.6 | -2.9 | 111.9 | ||
| 2022 | Y | 24.5 | Very low | 23.5 | Very low | 242 Ų | 242 | 184.4 Ų | 184.4 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | trans | -148.2 | 157.7 | 130.6 | -115.5 | -76.5 | 0 | 0 | 0 | 113.4 | ||||
| 2023 | R | 21.5 | Very low | 23.3 | Very low | 218 Ų | 218 | 187 Ų | 187 | 82% | 0.823 | 83% | 0.827 | S | S | * | * | trans | -116.2 | 159.4 | -172.4 | -160.6 | -178.5 | -172 | -179.6 | 3.1 | 109 | ||||
| 2024 | T | 22.9 | Very low | 23 | Very low | 119 Ų | 119 | 184.1 Ų | 184.1 | 73% | 0.73 | 83% | 0.828 | S | S | * | * | trans | 87.6 | 100.1 | 162 | 73.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2025 | S | 21.3 | Very low | 22.7 | Very low | 102 Ų | 102 | 175.4 Ų | 175.4 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | 79.2 | 151.3 | 119.3 | 85.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 2026 | R | 24.1 | Very low | 22.5 | Very low | 229 Ų | 229 | 170.2 Ų | 170.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 85.4 | 98.1 | 155.1 | -66.8 | 179.8 | 176.2 | -165.7 | -0.7 | 121.2 | ||||
| 2027 | K | 22.5 | Very low | 22.3 | Very low | 202 Ų | 202 | 164.4 Ų | 164.4 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | 24.6 | 122.1 | 129.6 | -59.7 | -177.3 | 177.4 | -174.9 | 0 | 119 | |||||
| 2028 | R | 23.2 | Very low | 22.1 | Very low | 233 Ų | 233 | 160.8 Ų | 160.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | 175.1 | 148.2 | 106.7 | -101.1 | 174.9 | 172 | 173.2 | -1.2 | 114.8 | |||||
| 2029 | K | 22 | Very low | 21.8 | Very low | 179 Ų | 179 | 159.4 Ų | 159.4 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 59.1 | 106.2 | 151 | -69.9 | -168.6 | 171.2 | -164.4 | 0 | 118.3 | ||||
| 2030 | T | 20 | Very low | 21.6 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 78.9 | 107.4 | 67.6 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2031 | T | 22.2 | Very low | 21.5 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -144.3 | 147.7 | 149.1 | -38.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 2032 | L | 18.7 | Very low | 21.5 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | -99.1 | 161.2 | 173.6 | -69.3 | 81.7 | 0 | 0 | 0 | 110.5 | L2034 | L2032-L2034 HydrophobicContact CD2-CD1 4.49Š| ||
| 2033 | Y | 21.4 | Very low | 21.3 | Very low | 228 Ų | 228 | 144 Ų | 144 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | trans | -140.7 | 149.2 | 153.6 | -87.6 | -76 | 0 | 0 | 0 | 110.4 | ||||
| 2034 | L | 18.7 | Very low | 21.3 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -153.4 | 146.5 | -170.8 | -94.1 | 162.4 | 0 | 0 | 0 | 111 | L2032 | L2032-L2034 HydrophobicContact CD2-CD1 4.49Š| ||
| 2035 | G | 20.3 | Very low | 21.2 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 84.3 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2036 | S | 20.1 | Very low | 21.2 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | 179.1 | 133.9 | -30.7 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2037 | T | 20.4 | Very low | 21.1 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 59.5 | 141.4 | 148.5 | 52.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2038 | T | 21 | Very low | 21 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | trans | 65.6 | 150.6 | 149.7 | 46.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2039 | S | 21.3 | Very low | 20.9 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -174.2 | 170.4 | -22.8 | 58.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2040 | T | 21.1 | Very low | 20.8 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | trans | 73.1 | 133.5 | 145.7 | 39.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 2041 | T | 21.3 | Very low | 20.9 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 83.3 | 139 | 140.9 | 42 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 2042 | D | 22.3 | Very low | 20.8 | Very low | 128 Ų | 128 | 125 Ų | 125 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | 74 | 121.4 | 150.1 | -61.8 | -2.8 | 0 | 0 | 0 | 122.4 | ||||
| 2043 | I | 20.7 | Very low | 20.8 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 60% | 0.6 | 70% | 0.699 | S | S | * | * | 73.4 | 113.5 | 84.6 | -56.1 | 162.4 | 0 | 0 | 0 | 110 | |||||
| 2044 | V | 22.3 | Very low | 20.8 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | -157.8 | 163.8 | 82.5 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2045 | N | 20.8 | Very low | 20.8 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -49.7 | 178.4 | 171.4 | -61.1 | -21.5 | 0 | 0 | 0 | 118.3 | ||||
| 2046 | N | 22 | Very low | 20.9 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | trans | 81.6 | 153.2 | 146 | -76.2 | -12.8 | 0 | 0 | 0 | 118.6 | ||||
| 2047 | N | 20.1 | Very low | 20.9 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | cis | -166.7 | 162.4 | -35 | -149 | -15.8 | 0 | 0 | 0 | 108.9 | ||||
| 2048 | H | 21.2 | Very low | 20.9 | Very low | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | trans | 57 | 136.6 | 152.3 | -88 | -61.4 | 0 | 0 | 0 | 123 | ||||
| 2049 | N | 21.5 | Very low | 20.8 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | 78.2 | 109.6 | 131.8 | -66.9 | -3.5 | 0 | 0 | 0 | 122.3 | ||||
| 2050 | N | 20.1 | Very low | 20.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | 80.9 | 151.1 | 112.7 | -72.6 | -10.5 | 0 | 0 | 0 | 123.3 | |||||
| 2051 | I | 20.6 | Very low | 20.7 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | trans | 74.9 | 98 | 142 | -74.9 | 162.8 | 0 | 0 | 0 | 117.7 | ||||
| 2052 | N | 20.2 | Very low | 20.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | 72.8 | 158.9 | 125 | -62.7 | 19.6 | 0 | 0 | 0 | 122.3 | |||||
| 2053 | E | 19.8 | Very low | 20.6 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | 64.9 | 94.7 | 141 | -77.9 | 152.6 | -117 | 0 | 0 | 119.5 | ||||
| 2054 | A | 20.3 | Very low | 20.9 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | 97.3 | 147.5 | 105.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 2055 | E | 20.6 | Very low | 20.8 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | 68.9 | 159.1 | 150.9 | -76.7 | -178.3 | -171.9 | 0 | 0 | 122 | ||||
| 2056 | S | 21 | Very low | 20.9 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | 56.9 | 92.9 | 162.4 | 48.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2057 | S | 20 | Very low | 20.9 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | 9.5 | 153.6 | 112.5 | 65.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 2058 | L | 20.1 | Very low | 21.1 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | 98.8 | 95.6 | 154.7 | -67.4 | 153.8 | 0 | 0 | 0 | 118.7 | ||||
| 2059 | T | 20.1 | Very low | 21.2 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | 61.2 | 131.2 | 123.6 | 57.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 2060 | T | 19.5 | Very low | 21.4 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | 80.9 | 137 | 134 | 46.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 2061 | D | 20.9 | Very low | 21.6 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 79.7 | 103.8 | 146.3 | -54.1 | -6.5 | 0 | 0 | 0 | 121.3 | ||||
| 2062 | D | 20.8 | Very low | 22.1 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | 62.5 | 130.8 | 118.7 | -70.7 | -0.5 | 0 | 0 | 0 | 124.4 | |||||
| 2063 | I | 20.4 | Very low | 22.7 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | 72 | 146.4 | 145 | -64.4 | 165.7 | 0 | 0 | 0 | 114.3 | ||||
| 2064 | P | 25.8 | Very low | 22.8 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | cis | -122.7 | -169.2 | 21.8 | 17.6 | 9.5 | 0 | 0 | 0 | 114.5 | ||||
| 2065 | D | 21.8 | Very low | 22.7 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | cis | 151.8 | 147.3 | -23.9 | -145.2 | -14.6 | 0 | 0 | 0 | 109.1 | ||||
| 2066 | S | 23.2 | Very low | 22.7 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | trans | 81.1 | 154.3 | 152.8 | 75.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 2067 | F | 21.6 | Very low | 22.6 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 93.1 | 116.1 | 171.4 | -66.3 | -90.5 | 0 | 0 | 0 | 118.4 | ||||
| 2068 | L | 23.6 | Very low | 22.5 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | cis | 85.4 | 139.6 | 35.7 | -63 | 163.7 | 0 | 0 | 0 | 113.2 | ||||
| 2069 | S | 24.4 | Very low | 22.6 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 52% | 0.524 | 74% | 0.741 | S | S | . | * | cis | -166.4 | -162.7 | -6.2 | 59.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2070 | S | 24.9 | Very low | 22.6 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | -164 | -177.5 | 2.4 | 17.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 2071 | E | 24.3 | Very low | 22.8 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -88 | 172.5 | -177.5 | -55.1 | 172.2 | 117.4 | 0 | 0 | 115.8 | ||||
| 2072 | P | 31.7 | Very low | 22.8 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | -145.3 | 175.6 | 111.6 | 36.3 | -18.7 | 0 | 0 | 0 | 116.3 | |||||
| 2073 | P | 31.2 | Very low | 22.9 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -120.3 | -179.5 | -154 | 44 | -35.4 | 0 | 0 | 0 | 117.7 | ||||
| 2074 | I | 22.4 | Very low | 22.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 89% | 0.892 | 73% | 0.734 | S | S | * | * | trans | -152.8 | 163.1 | 161.9 | -107.6 | 158.1 | 0 | 0 | 0 | 112.1 | ||||
| 2075 | I | 19.1 | Very low | 22.9 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | -142.8 | 144.2 | -168.5 | -55.9 | 171.9 | 0 | 0 | 0 | 110.8 | ||||
| 2076 | R | 19.7 | Very low | 22.8 | Very low | 224 Ų | 224 | 138.6 Ų | 138.6 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 144.2 | 126.8 | 138.1 | -87.2 | -175 | 176.4 | 175.9 | -0.2 | 119 | ||||
| 2077 | T | 19.2 | Very low | 22.6 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | 56.7 | 118.4 | 134.5 | 60 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 2078 | D | 18.7 | Very low | 22.6 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | 78.2 | 152.3 | 119 | -53.3 | -18.6 | 0 | 0 | 0 | 125.1 | |||||
| 2079 | V | 21.5 | Very low | 22.4 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 110.3 | 105.5 | 154.6 | -175.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2080 | H | 19.9 | Very low | 22.2 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 39.1 | 140.5 | 138.6 | -73.9 | -93.7 | 0 | 0 | 0 | 121.5 | ||||
| 2081 | N | 23.5 | Very low | 22 | Very low | 122 Ų | 122 | 145 Ų | 145 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | cis | -170.6 | 165.7 | 44.2 | -121.4 | 1 | 0 | 0 | 0 | 112.8 | ||||
| 2082 | N | 21.9 | Very low | 21.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | 43.8 | 147.6 | 145.2 | -65.2 | 44.9 | 0 | 0 | 0 | 121.9 | ||||
| 2083 | D | 22.2 | Very low | 21.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | cis | -159.4 | 160.2 | 0.4 | -116 | -24.8 | 0 | 0 | 0 | 112.5 | ||||
| 2084 | N | 21.7 | Very low | 20.7 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 49.6 | 93.3 | 154.7 | -63.4 | -45.9 | 0 | 0 | 0 | 121.2 | ||||
| 2085 | L | 23.8 | Very low | 20.5 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | -159.6 | 149.5 | 122.2 | -111.7 | 165.1 | 0 | 0 | 0 | 112.5 | |||||
| 2086 | I | 20.8 | Very low | 20.6 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | trans | -45.3 | 134.8 | -161.8 | -66.4 | 164.8 | 0 | 0 | 0 | 116 | ||||
| 2087 | S | 18.5 | Very low | 20.5 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -65.5 | 143.7 | 175.6 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2088 | L | 22 | Very low | 20.7 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -150.5 | 54 | 155.4 | -117.2 | 169.5 | 0 | 0 | 0 | 113.3 | ||||
| 2089 | Q | 18.6 | Very low | 20.8 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -85.6 | 113.4 | 160.5 | -79 | -167.7 | -2.7 | 0 | 0 | 110.4 | ||||
| 2090 | T | 21.5 | Very low | 20.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -136.7 | 111 | 155.6 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2091 | S | 19.9 | Very low | 20.9 | Very low | 127 Ų | 127 | 138 Ų | 138 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 118.9 | 173.5 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2092 | G | 18.4 | Very low | 20.8 | Very low | 59 Ų | 59 | 139.4 Ų | 139.4 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | 78.9 | 152.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2093 | P | 22.3 | Very low | 20.8 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | -119 | 155.6 | 78.3 | -4.3 | 24.8 | 0 | 0 | 0 | 115.4 | |||||
| 2094 | R | 19 | Very low | 20.7 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -91 | 150.6 | 158.9 | -75.1 | 173 | 165.5 | 167.9 | -5.1 | 109.3 | ||||
| 2095 | K | 19.1 | Very low | 20.7 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | 57.5 | 112.8 | 155.4 | -68.5 | -179.2 | 172.5 | -173.2 | 0 | 118.5 | ||||
| 2096 | L | 20.8 | Very low | 20.6 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 173.7 | 125.4 | 105.3 | -88.4 | 147.2 | 0 | 0 | 0 | 107.1 | |||||
| 2097 | N | 18.5 | Very low | 20.6 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | 67.4 | 70.3 | 52 | -89.4 | 29.9 | 0 | 0 | 0 | 116.1 | |||||
| 2098 | S | 21.3 | Very low | 20.7 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -178.7 | 148.3 | 150.9 | 51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 2099 | S | 20.8 | Very low | 20.6 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | cis | -173.7 | 165.2 | -17.4 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2100 | N | 22.5 | Very low | 20.6 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 74.5 | 152.3 | 163.4 | -55.7 | -14.4 | 0 | 0 | 0 | 120 | ||||
| 2101 | G | 22.1 | Very low | 20.5 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 100.1 | 57.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2102 | N | 20.6 | Very low | 20.6 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 62.8 | 136.3 | 86.9 | -83.7 | 7.6 | 0 | 0 | 0 | 117.7 | |||||
| 2103 | N | 22 | Very low | 20.7 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 67.2 | 107 | 169.3 | -56.5 | -8.4 | 0 | 0 | 0 | 115.7 | ||||
| 2104 | I | 20.9 | Very low | 20.7 | Very low | 146 Ų | 146 | 145 Ų | 145 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | 68.5 | 103.8 | 56 | -52.7 | 162.3 | 0 | 0 | 0 | 112.5 | |||||
| 2105 | V | 21.7 | Very low | 20.8 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | -158 | 161.1 | 111.6 | 148.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 2106 | H | 22.1 | Very low | 21.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -81.6 | 150.3 | -161.2 | -87.4 | -108.9 | 0 | 0 | 0 | 117.8 | ||||
| 2107 | S | 20.8 | Very low | 21.3 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 68.6 | 121.6 | 130.3 | 71.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2108 | T | 19.8 | Very low | 21.6 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 62.4 | 122.9 | 130.2 | 59.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2109 | K | 19.3 | Very low | 21.9 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | 78.8 | 137.9 | 146.2 | -73.2 | -175.2 | 174.8 | -176.7 | 0 | 120 | ||||
| 2110 | S | 20.4 | Very low | 22 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | 62.8 | 119 | 147.1 | 54.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2111 | N | 19.3 | Very low | 22.2 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 158.1 | 136.1 | -64.2 | 17.3 | 0 | 0 | 0 | 120.5 | ||||
| 2112 | D | 20.2 | Very low | 22.4 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 60% | 0.599 | 78% | 0.778 | S | S | * | * | trans | 69.3 | 116.5 | 160.5 | -78 | 21.8 | 0 | 0 | 0 | 121 | ||||
| 2113 | K | 20.4 | Very low | 22.6 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | 56.8 | 120.7 | 129.9 | -59.5 | 163 | -174.9 | 147.6 | 0 | 119 | |||||
| 2114 | F | 23.6 | Very low | 22.9 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | 175.9 | 93.6 | 128.5 | -104.4 | -78.8 | 0 | 0 | 0 | 106.7 | |||||
| 2115 | T | 20.8 | Very low | 23 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | 48.2 | 103.6 | 87.2 | 63.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 2116 | L | 25.2 | Very low | 22.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -162.3 | 106.5 | 146.9 | -95.9 | 143.5 | 0 | 0 | 0 | 105.2 | ||||
| 2117 | S | 24.6 | Very low | 23.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | 69.6 | 126.7 | 98.6 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2118 | A | 24.9 | Very low | 23.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -158 | -178.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2119 | L | 27.5 | Very low | 23.4 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | 69.4 | 117.3 | -174.4 | -68 | 165 | 0 | 0 | 0 | 115.1 | ||||
| 2120 | N | 23.6 | Very low | 23.7 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -83.3 | 125.1 | 176.4 | -83.4 | -18.6 | 0 | 0 | 0 | 111.2 | ||||
| 2121 | L | 27.5 | Very low | 23.7 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | -155.9 | 128.9 | 116.9 | -104 | 156.8 | 0 | 0 | 0 | 107.7 | R2123 | L2121-R2123 PolarHBondContact O-N 2.85Å; L2121-R2123 VanDerWaalsContact O-N 3.1Å | |||
| 2122 | S | 25.3 | Very low | 23.8 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 101.9 | -160.5 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | T2124 | S2122-T2124 PolarHBondContact O-N 3.2Š| ||
| 2123 | R | 24.5 | Very low | 24 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -29.7 | 119.5 | 164.3 | -61.6 | 173 | 179.5 | 166.7 | -1.3 | 114 | L2121 A2125 | L2121-R2123 PolarHBondContact O-N 2.85Å; L2121-R2123 VanDerWaalsContact O-N 3.1Å; R2123-A2125 HydrophobicContact CB-CB 3.84Å; R2123-A2125 HydrophobicContact CG-CB 3.94Å | ||
| 2124 | T | 27.9 | Very low | 24.1 | Very low | 149 Ų | 149 | 138 Ų | 138 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | -83.9 | 136.8 | 108 | 41.5 | 0 | 0 | 0 | 0 | 107.5 | S2122 | S2122-T2124 PolarHBondContact O-N 3.2Š| |||
| 2125 | A | 23 | Very low | 24.1 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | trans | -151.5 | 147.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R2123 | R2123-A2125 HydrophobicContact CB-CB 3.84Å; R2123-A2125 HydrophobicContact CG-CB 3.94Å | ||
| 2126 | A | 21.5 | Very low | 24.3 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | 65 | 146.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2127 | S | 26.3 | Very low | 24.2 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | cis | -137.1 | 153.3 | 12.2 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2128 | I | 23.1 | Very low | 24.2 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 92% | 0.918 | 76% | 0.757 | S | S | * | * | trans | -59.5 | 139.4 | 176.4 | -62.5 | 155.2 | 0 | 0 | 0 | 111.2 | ||||
| 2129 | G | 22 | Very low | 24.1 | Very low | 55 Ų | 55 | 134.6 Ų | 134.6 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | 173 | 95.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2130 | F | 25.6 | Very low | 24 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | 59.4 | 114.9 | 162 | -55.2 | -82 | 0 | 0 | 0 | 116.9 | ||||
| 2131 | M | 21.9 | Very low | 23.9 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | 56.9 | 113 | 81.3 | -77.1 | -168.3 | 164.1 | 0 | 0 | 114.6 | |||||
| 2132 | N | 21.3 | Very low | 23.9 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | 23.5 | 127.2 | 139.2 | -51.7 | 8.4 | 0 | 0 | 0 | 117 | I2134 | N2132-I2134 HydrophobicContact CB-CG1 4.23Å; N2132-I2134 WeakPolarHBondContact ND2-CD1 3.41Å | ||
| 2133 | P | 23.9 | Very low | 23.9 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | -97.4 | 121.4 | 68.5 | 27.2 | -35.3 | 0 | 0 | 0 | 113.4 | Y2135 | P2133-Y2135 PolarHBondContact O-N 2.88Š| |||
| 2134 | I | 22.1 | Very low | 23.8 | Very low | 111 Ų | 111 | 114.9 Ų | 114.9 | 57% | 0.569 | 64% | 0.644 | S | S | * | * | trans | -81.8 | 110.1 | 160.1 | -58.7 | 167.7 | 0 | 0 | 0 | 105.5 | N2132 V2136 | N2132-I2134 HydrophobicContact CB-CG1 4.23Å; N2132-I2134 WeakPolarHBondContact ND2-CD1 3.41Å; I2134-V2136 HydrophobicContact CB-CG2 4.25Å; I2134-V2136 HydrophobicContact CG2-CG2 3.62Å; I2134-V2136 PolarHBondContact O-N 2.82Å; I2134-V2136 VanDerWaalsContact O-N 3.13Å | ||
| 2135 | Y | 24.5 | Very low | 23.8 | Very low | 187 Ų | 187 | 112.1 Ų | 112.1 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -67.2 | 104.3 | 157.3 | -86.3 | -94.4 | 0 | 0 | 0 | 106.8 | P2133 P2137 | P2133-Y2135 PolarHBondContact O-N 2.88Å; Y2135-P2137 WeakPolarHBondContact O-CD 3.32Å | ||
| 2136 | V | 23.5 | Very low | 23.8 | Very low | 91 Ų | 91 | 115.9 Ų | 115.9 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | trans | -90.6 | 106.8 | 173.5 | -168.6 | 0 | 0 | 0 | 0 | 107.2 | I2134 L2138 | I2134-V2136 HydrophobicContact CB-CG2 4.25Å; I2134-V2136 HydrophobicContact CG2-CG2 3.62Å; I2134-V2136 PolarHBondContact O-N 2.82Å; I2134-V2136 VanDerWaalsContact O-N 3.13Å; V2136-L2138 HydrophobicContact CB-CD1 4.32Å; V2136-L2138 HydrophobicContact CB-CG 4.37Å; V2136-L2138 HydrophobicContact CG1-CD1 4.08Å; V2136-L2138 HydrophobicContact CG1-CD2 3.98Å; V2136-L2138 HydrophobicContact CG1-CG 3.78Å; V2136-L2138 PolarHBondContact O-N 3.26Å | ||
| 2137 | P | 23.9 | Very low | 23.8 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | trans | -66.9 | 118.9 | 167.7 | 28.3 | -32.8 | 0 | 0 | 0 | 108.6 | Y2135 | Y2135-P2137 WeakPolarHBondContact O-CD 3.32Š| ||
| 2138 | L | 23.7 | Very low | 23.8 | Very low | 86 Ų | 86 | 122 Ų | 122 | 45% | 0.45 | 63% | 0.629 | S | S | . | * | trans | -121.9 | 91.9 | 176 | -69.4 | 161.4 | 0 | 0 | 0 | 106.1 | I1589 V2136 | I1589-L2138 HydrophobicContact CB-CD1 4.44Å; I1589-L2138 HydrophobicContact CD1-CB 3.75Å; I1589-L2138 HydrophobicContact CD1-CD1 3.88Å; I1589-L2138 HydrophobicContact CD1-CD2 3.93Å; I1589-L2138 HydrophobicContact CD1-CG 4.05Å; I1589-L2138 HydrophobicContact CG1-CD1 3.84Å; I1589-L2138 HydrophobicContact CG1-CD2 3.98Å; I1589-L2138 HydrophobicContact CG1-CG 4.34Å; I1589-L2138 HydrophobicContact CG2-CD1 3.69Å; V2136-L2138 HydrophobicContact CB-CD1 4.32Å; V2136-L2138 HydrophobicContact CB-CG 4.37Å; V2136-L2138 HydrophobicContact CG1-CD1 4.08Å; V2136-L2138 HydrophobicContact CG1-CD2 3.98Å; V2136-L2138 HydrophobicContact CG1-CG 3.78Å; V2136-L2138 PolarHBondContact O-N 3.26Å | ||
| 2139 | N | 22.9 | Very low | 24.8 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | 76.2 | 108.5 | 64.7 | -159 | 44.4 | 0 | 0 | 0 | 112.4 | |||||
| 2140 | D | 25.1 | Very low | 24.8 | Very low | 53 Ų | 53 | 125 Ų | 125 | 28% | 0.283 | 63% | 0.634 | S | S | . | * | trans | 102.2 | 79.2 | 132.6 | -133.4 | -6.6 | 0 | 0 | 0 | 121.1 | R1584 I1587 | R1584-D2140 WeakPolarHBondContact CD-O 3.48Å; R1584-D2140 IonicContact CZ-OD1 3.78Å; R1584-D2140 IonicContact CZ-OD2 3.81Å; R1584-D2140 PolarHBondContact NE-O 2.79Å; R1584-D2140 IonicContact NH1-OD1 3.65Å; R1584-D2140 IonicContact NH1-OD2 2.77Å; R1584-D2140 PolarHBondContact NH1-OD2 3.37Å; R1584-D2140 PolarHBondContact NH2-O 3.27Å; R1584-D2140 IonicContact NH2-OD1 3.37Å; R1584-D2140 PolarHBondContact NH2-OD1 2.88Å; R1584-D2140 IonicContact NH2-OD2 3.04Å; R1584-D2140 PolarHBondContact NH2-OD2 3.34Å; I1587-D2140 HydrophobicContact CD1-CB 3.66Å | ||
| 2141 | K | 23.1 | Very low | 26 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | 44.4 | 131.1 | 125.2 | 163.8 | -101.7 | -60.5 | 162.4 | 0 | 122.6 | S1583 R1584 | S1583-K2141 CarbonylContact O-C 3.56Å; R1584-K2141 VanDerWaalsContact CZ-O 3.22Å; R1584-K2141 PolarHBondContact NE-O 3.31Å; R1584-K2141 VanDerWaalsContact NH2-CD 3.27Å; R1584-K2141 VanDerWaalsContact NH2-CE 3.27Å; R1584-K2141 PolarHBondContact NH2-O 2.9Å | |||
| 2142 | Y | 26.5 | Very low | 26.3 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 37% | 0.365 | 63% | 0.631 | S | S | . | * | trans | -139.7 | 133 | 132.7 | -72.7 | 169.1 | 0 | 0 | 0 | 103.4 | S1583 R1584 T1585 T1586 | S1583-Y2142 WeakPolarHBondContact CB-O 3.1Å; S1583-Y2142 VanDerWaalsContact O-CB 3.28Å; S1583-Y2142 WeakPolarHBondContact O-CB 3.49Å; S1583-Y2142 VanDerWaalsContact O-CG 3.24Å; S1583-Y2142 PolarHBondContact O-N 3.46Å; R1584-Y2142 HydrophobicContact CB-CD2 4.3Å; R1584-Y2142 HydrophobicContact CB-CE2 4.08Å; R1584-Y2142 HydrophobicContact CG-CD2 4.36Å; R1584-Y2142 HydrophobicContact CG-CE2 3.72Å; T1585-Y2142 PolarHBondContact N-OH 3.23Å; T1585-Y2142 VanDerWaalsContact N-OH 3.09Å; T1585-Y2142 WeakPolarHBondContact OG1-CE1 3.43Å; T1585-Y2142 PolarHBondContact OG1-OH 3.05Å; T1586-Y2142 PolarHBondContact OG1-OH 2.73Å | ||
| 2143 | A | 25.6 | Very low | 26.9 | Very low | 46 Ų | 46 | 126.9 Ų | 126.9 | 38% | 0.38 | 66% | 0.661 | S | S | . | * | cis | 79.7 | 105.5 | 49.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1427 | N1427-A2143 PolarHBondContact ND2-O 3.41Š| ||
| 2144 | E | 23.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -95.6 | 160.9 | 158 | -46.4 | -157.8 | 143.4 | 0 | 0 | 108.8 | V1426 N1427 | V1426-E2144 HydrophobicContact CG1-CB 3.95Å; V1426-E2144 HydrophobicContact CG1-CG 3.57Å; V1426-E2144 WeakPolarHBondContact CG1-OE1 3.29Å; N1427-E2144 VanDerWaalsContact ND2-C 3.27Å; N1427-E2144 VanDerWaalsContact ND2-CA 3.35Å; N1427-E2144 WeakPolarHBondContact ND2-CA 3.31Å | ||
| 2145 | D | 26.1 | Very low | 27.4 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 49% | 0.492 | 66% | 0.66 | S | S | . | * | trans | 41.4 | 104.7 | 172.1 | -66.6 | -3.4 | 0 | 0 | 0 | 120 | M1378 N1427 | M1378-D2145 WeakPolarHBondContact CE-OD1 3.33Å; N1427-D2145 PolarHBondContact ND2-N 3.07Å; N1427-D2145 PolarHBondContact OD1-N 3.32Å | ||
| 2146 | N | 23.7 | Very low | 27.5 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | -178.3 | 177.1 | 105.1 | -100.9 | -72.1 | 0 | 0 | 0 | 115.5 | |||||
| 2147 | Y | 22.6 | Very low | 27.8 | Very low | 207 Ų | 207 | 126.9 Ų | 126.9 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | trans | -71.2 | 169.2 | -172 | -108.7 | -114.8 | 0 | 0 | 0 | 117.4 | ||||
| 2148 | D | 24.6 | Very low | 28 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 66% | 0.656 | S | S | * | * | trans | 87.5 | 148.2 | 154.1 | -85.5 | -4.2 | 0 | 0 | 0 | 122.7 | ||||
| 2149 | P | 44.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -115.7 | 158.5 | -170.2 | 41.8 | -30.2 | 0 | 0 | 0 | 115.2 | ||||
| 2150 | E | 23.6 | Very low | 28.7 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | 175.9 | 162.1 | 117 | -96.7 | -162.2 | 162.7 | 0 | 0 | 111.9 | |||||
| 2151 | P | 50.9 | Low | 28.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -109.4 | 140.1 | -170.4 | 38 | -29.4 | 0 | 0 | 0 | 115.3 | ||||
| 2152 | I | 27.5 | Very low | 29.4 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | trans | -136 | 136.6 | 158 | -57.9 | -178.1 | 0 | 0 | 0 | 108.7 | ||||
| 2153 | N | 34.9 | Very low | 29.7 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 100% | 1.267 | 75% | 0.75 | S | S | * | * | trans | -35.7 | 0 | -173.4 | -60 | -52.7 | 0 | 0 | 0 | 117.3 |
Retrieved 2,153 of 2,153 residues in 2636.4 ms
(Link to these results)