| 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 | 52.7 | Low | 74.8 | Confident | 209 Ų | 209 | 115.9 Ų | 115.9 | 100% | 1.03 | 62% | 0.616 | S | S | * | * | 0 | 105.8 | 0 | -149.9 | 164.3 | -176.7 | 0 | 0 | 106.1 | |||||
| 2 | T | 78.6 | Confident | 74.5 | Confident | 85 Ų | 85 | 118.9 Ų | 118.9 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | trans | -93.1 | 153.7 | -156.5 | 41.7 | 0 | 0 | 0 | 0 | 112.4 | E4 E5 | T2-E4 PolarHBondContact O-N 2.8Å; T2-E5 PolarHBondContact O-N 3.21Å; T2-E5 VanDerWaalsContact O-N 3.13Å | ||
| 3 | T | 76.9 | Confident | 74.4 | Confident | 107 Ų | 107 | 115.3 Ų | 115.3 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.2 | -29.4 | 178.5 | 45 | 0 | 0 | 0 | 0 | 113.6 | E5 H6 V7 | T3-E5 VanDerWaalsContact C-N 3.32Å; T3-E5 PolarHBondContact O-N 3.41Å; T3-H6 PolarHBondContact O-N 3.45Å; T3-V7 WeakPolarHBondContact O-CG2 3.24Å; T3-V7 PolarHBondContact O-N 3.38Å; T3-V7 VanDerWaalsContact O-N 3.14Å |
| 4 | E | 75.9 | Confident | 74.6 | Confident | 139 Ų | 139 | 118.5 Ų | 118.5 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.5 | -35.9 | 177.5 | -63.4 | -59.2 | 123.9 | 0 | 0 | 113 | T2 V7 A8 | T2-E4 PolarHBondContact O-N 2.8Å; E4-V7 PolarHBondContact O-N 3Å; E4-A8 WeakPolarHBondContact O-CB 3.46Å; E4-A8 PolarHBondContact O-N 3.28Å |
| 5 | E | 78.3 | Confident | 74.6 | Confident | 119 Ų | 119 | 121.3 Ų | 121.3 | 56% | 0.556 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.5 | -35.6 | -179.9 | -61.9 | -153.6 | 150.5 | 0 | 0 | 112 | T2 T3 A8 E9 | T2-E5 PolarHBondContact O-N 3.21Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T3-E5 VanDerWaalsContact C-N 3.32Å; T3-E5 PolarHBondContact O-N 3.41Å; E5-A8 PolarHBondContact O-N 3.01Å; E5-E9 WeakPolarHBondContact O-CB 3.02Å; E5-E9 PolarHBondContact O-N 3.35Å |
| 6 | H | 75.9 | Confident | 74.7 | Confident | 114 Ų | 114 | 118.3 Ų | 118.3 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 174.2 | -78.9 | 65.9 | 0 | 0 | 0 | 111.6 | T3 E9 V10 | T3-H6 PolarHBondContact O-N 3.45Å; H6-E9 PolarHBondContact O-N 2.93Å; H6-V10 WeakPolarHBondContact O-CB 3.47Å; H6-V10 VanDerWaalsContact O-CG2 3.26Å; H6-V10 WeakPolarHBondContact O-CG2 3.44Å; H6-V10 PolarHBondContact O-N 3.34Å |
| 7 | V | 78.9 | Confident | 74.7 | Confident | 78 Ų | 78 | 116.4 Ų | 116.4 | 47% | 0.473 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.4 | -43.9 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | T3 E4 E9 V10 M11 | T3-V7 WeakPolarHBondContact O-CG2 3.24Å; T3-V7 PolarHBondContact O-N 3.38Å; T3-V7 VanDerWaalsContact O-N 3.14Å; E4-V7 PolarHBondContact O-N 3Å; V7-E9 PolarHBondContact O-N 3.43Å; V7-V10 PolarHBondContact O-N 3.31Å; V7-M11 HydrophobicContact CG1-CG 4.43Å; V7-M11 HydrophobicContact CG1-SD 3.92Å; V7-M11 WeakPolarHBondContact O-CB 3.43Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 2.98Å |
| 8 | A | 76.1 | Confident | 74.7 | Confident | 57 Ų | 57 | 115.7 Ų | 115.7 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E4 E5 M11 F12 | E4-A8 WeakPolarHBondContact O-CB 3.46Å; E4-A8 PolarHBondContact O-N 3.28Å; E5-A8 PolarHBondContact O-N 3.01Å; A8-M11 PolarHBondContact O-N 2.98Å; A8-F12 VanDerWaalsContact O-CB 3.29Å; A8-F12 WeakPolarHBondContact O-CB 3.36Å; A8-F12 PolarHBondContact O-N 2.88Å |
| 9 | E | 78.4 | Confident | 75.1 | Confident | 136 Ų | 136 | 121.1 Ų | 121.1 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | 178.4 | -165.9 | 179.2 | -168.5 | 0 | 0 | 112 | E5 H6 V7 F12 S13 | E5-E9 WeakPolarHBondContact O-CB 3.02Å; E5-E9 PolarHBondContact O-N 3.35Å; H6-E9 PolarHBondContact O-N 2.93Å; V7-E9 PolarHBondContact O-N 3.43Å; E9-F12 PolarHBondContact O-N 2.66Å; E9-S13 WeakPolarHBondContact O-CB 3.38Å; E9-S13 PolarHBondContact O-N 3.07Å |
| 10 | V | 79 | Confident | 75.5 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.6 | -44.8 | 176 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | H6 V7 F12 S13 W14 | H6-V10 WeakPolarHBondContact O-CB 3.47Å; H6-V10 VanDerWaalsContact O-CG2 3.26Å; H6-V10 WeakPolarHBondContact O-CG2 3.44Å; H6-V10 PolarHBondContact O-N 3.34Å; V7-V10 PolarHBondContact O-N 3.31Å; V10-F12 PolarHBondContact O-N 2.9Å; V10-S13 PolarHBondContact O-N 3.37Å; V10-W14 WeakPolarHBondContact O-CB 3.5Å; V10-W14 PolarHBondContact O-N 3.36Å |
| 11 | M | 72.2 | Confident | 75.9 | Confident | 129 Ų | 129 | 121.7 Ų | 121.7 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.2 | -38.1 | 177.8 | -72 | -179.8 | 69.9 | 0 | 0 | 112.4 | V7 A8 W14 K15 | V7-M11 HydrophobicContact CG1-CG 4.43Å; V7-M11 HydrophobicContact CG1-SD 3.92Å; V7-M11 WeakPolarHBondContact O-CB 3.43Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 2.98Å; A8-M11 PolarHBondContact O-N 2.98Å; M11-W14 PolarHBondContact O-N 3.49Å; M11-K15 PolarHBondContact O-N 2.92Å; M11-K15 VanDerWaalsContact O-N 3.12Å |
| 12 | F | 70.9 | Confident | 77.5 | Confident | 152 Ų | 152 | 117.2 Ų | 117.2 | 67% | 0.667 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68 | -42.4 | 176.5 | -176.2 | -99.3 | 0 | 0 | 0 | 112 | A8 E9 V10 W14 K15 T16 | A8-F12 VanDerWaalsContact O-CB 3.29Å; A8-F12 WeakPolarHBondContact O-CB 3.36Å; A8-F12 PolarHBondContact O-N 2.88Å; E9-F12 PolarHBondContact O-N 2.66Å; V10-F12 PolarHBondContact O-N 2.9Å; F12-W14 VanDerWaalsContact C-N 3.34Å; F12-W14 PolarHBondContact O-N 2.93Å; F12-K15 PolarHBondContact O-N 3.48Å; F12-T16 PolarHBondContact O-N 2.98Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 2.96Å |
| 13 | S | 73.3 | Confident | 78 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.3 | -42.6 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | E9 V10 K15 T16 L17 | E9-S13 WeakPolarHBondContact O-CB 3.38Å; E9-S13 PolarHBondContact O-N 3.07Å; V10-S13 PolarHBondContact O-N 3.37Å; S13-K15 PolarHBondContact O-N 3.32Å; S13-T16 PolarHBondContact O-N 3.49Å; S13-L17 WeakPolarHBondContact O-CB 3.35Å; S13-L17 PolarHBondContact O-N 2.68Å |
| 14 | W | 77.1 | Confident | 78.4 | Confident | 160 Ų | 160 | 116.2 Ų | 116.2 | 61% | 0.606 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -44.8 | 176.1 | -173.2 | -98.6 | 0 | 0 | 0 | 113 | V10 M11 F12 T16 L17 Q18 | V10-W14 WeakPolarHBondContact O-CB 3.5Å; V10-W14 PolarHBondContact O-N 3.36Å; M11-W14 PolarHBondContact O-N 3.49Å; F12-W14 VanDerWaalsContact C-N 3.34Å; F12-W14 PolarHBondContact O-N 2.93Å; W14-T16 VanDerWaalsContact C-N 3.29Å; W14-T16 PolarHBondContact O-N 3.34Å; W14-L17 PolarHBondContact O-N 2.98Å; W14-Q18 WeakPolarHBondContact O-CG 3.26Å; W14-Q18 PolarHBondContact O-N 3.11Å |
| 15 | K | 75.1 | Confident | 79.1 | Confident | 160 Ų | 160 | 117 Ų | 117 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -33.6 | 178.7 | -146.7 | 174.6 | -171.4 | 179.4 | 0 | 112.1 | M11 F12 S13 | M11-K15 PolarHBondContact O-N 2.92Å; M11-K15 VanDerWaalsContact O-N 3.12Å; F12-K15 PolarHBondContact O-N 3.48Å; S13-K15 PolarHBondContact O-N 3.32Å |
| 16 | T | 76.4 | Confident | 79.8 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.8 | -40.8 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | F12 S13 W14 R19 | F12-T16 PolarHBondContact O-N 2.98Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 2.96Å; S13-T16 PolarHBondContact O-N 3.49Å; W14-T16 VanDerWaalsContact C-N 3.29Å; W14-T16 PolarHBondContact O-N 3.34Å; T16-R19 VanDerWaalsContact O-CB 3.25Å; T16-R19 WeakPolarHBondContact O-CB 3.48Å; T16-R19 PolarHBondContact O-N 3.3Å; T16-R19 VanDerWaalsContact O-N 3.16Å |
| 17 | L | 74.7 | Confident | 80.5 | Confident | 86 Ų | 86 | 110.9 Ų | 110.9 | 45% | 0.45 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 178.2 | -169.8 | 64.9 | 0 | 0 | 0 | 112.4 | S13 W14 R19 N20 V23 | S13-L17 WeakPolarHBondContact O-CB 3.35Å; S13-L17 PolarHBondContact O-N 2.68Å; W14-L17 PolarHBondContact O-N 2.98Å; L17-R19 PolarHBondContact O-N 3.36Å; L17-N20 PolarHBondContact O-N 3.36Å; L17-V23 HydrophobicContact CD1-CG2 4.2Å; L17-V23 HydrophobicContact CG-CG1 4.36Å; L17-V23 HydrophobicContact CG-CG2 4.48Å |
| 18 | Q | 74.9 | Confident | 81.2 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -14.3 | 174 | -74.5 | -171.3 | -36.4 | 0 | 0 | 114 | W14 N20 | W14-Q18 WeakPolarHBondContact O-CG 3.26Å; W14-Q18 PolarHBondContact O-N 3.11Å; Q18-N20 VanDerWaalsContact C-N 3.33Å |
| 19 | R | 80.7 | Confident | 82 | Confident | 217 Ų | 217 | 113.9 Ų | 113.9 | 82% | 0.819 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -20.5 | 178.7 | -150.4 | 171.2 | 99.9 | 139.5 | 2 | 112.6 | T16 L17 | T16-R19 VanDerWaalsContact O-CB 3.25Å; T16-R19 WeakPolarHBondContact O-CB 3.48Å; T16-R19 PolarHBondContact O-N 3.3Å; T16-R19 VanDerWaalsContact O-N 3.16Å; L17-R19 PolarHBondContact O-N 3.36Å |
| 20 | N | 83.5 | Confident | 82.7 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -75.8 | 125.7 | 178.1 | -73.8 | -12.9 | 0 | 0 | 0 | 111 | L17 Q18 T22 V23 K24 | L17-N20 PolarHBondContact O-N 3.36Å; Q18-N20 VanDerWaalsContact C-N 3.33Å; N20-T22 VanDerWaalsContact C-N 3.27Å; N20-T22 PolarHBondContact O-N 3.24Å; N20-V23 HydrophobicContact CB-CB 4.46Å; N20-V23 HydrophobicContact CB-CG2 4.14Å; N20-V23 PolarHBondContact O-N 3.1Å; N20-V23 VanDerWaalsContact O-N 3.1Å; N20-K24 PolarHBondContact O-N 3.38Å |
| 21 | K | 83.5 | Confident | 83.5 | Confident | 166 Ų | 166 | 113 Ų | 113 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.1 | -40.2 | -177.5 | -63.2 | -179.9 | -177.4 | 179.5 | 0 | 111.9 | V23 K24 Y25 | K21-V23 PolarHBondContact O-N 3.23Å; K21-K24 PolarHBondContact O-N 2.88Å; K21-Y25 HydrophobicContact CB-CD2 4.35Å; K21-Y25 HydrophobicContact CB-CE2 4.36Å; K21-Y25 WeakPolarHBondContact O-CD2 3.15Å; K21-Y25 PolarHBondContact O-N 2.93Å |
| 22 | T | 87.1 | Confident | 84.4 | Confident | 115 Ų | 115 | 113.1 Ų | 113.1 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.3 | -40.2 | 176.9 | 22.8 | 0 | 0 | 0 | 0 | 113.3 | N20 G26 | N20-T22 VanDerWaalsContact C-N 3.27Å; N20-T22 PolarHBondContact O-N 3.24Å; T22-G26 WeakPolarHBondContact O-CA 3.14Å; T22-G26 PolarHBondContact O-N 3.23Å |
| 23 | V | 88.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 109.9 Ų | 109.9 | 26% | 0.261 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -73.6 | -43.4 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | L17 N20 K21 Y25 V27 | L17-V23 HydrophobicContact CD1-CG2 4.2Å; L17-V23 HydrophobicContact CG-CG1 4.36Å; L17-V23 HydrophobicContact CG-CG2 4.48Å; N20-V23 HydrophobicContact CB-CB 4.46Å; N20-V23 HydrophobicContact CB-CG2 4.14Å; N20-V23 PolarHBondContact O-N 3.1Å; N20-V23 VanDerWaalsContact O-N 3.1Å; K21-V23 PolarHBondContact O-N 3.23Å; V23-Y25 VanDerWaalsContact C-N 3.31Å; V23-Y25 PolarHBondContact O-N 3.19Å; V23-V27 HydrophobicContact CG1-CG2 3.72Å; V23-V27 WeakPolarHBondContact O-CB 3.14Å; V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 2.9Å |
| 24 | K | 86.3 | Confident | 86.4 | Confident | 128 Ų | 128 | 111 Ų | 111 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.2 | -38.2 | -179.5 | -174.1 | 176.9 | 179.9 | -179.6 | 0 | 113.2 | N20 K21 P28 | N20-K24 PolarHBondContact O-N 3.38Å; K21-K24 PolarHBondContact O-N 2.88Å; K24-P28 WeakPolarHBondContact O-CD 3.41Å; K24-P28 VanDerWaalsContact O-CG 3.31Å; K24-P28 WeakPolarHBondContact O-CG 3.37Å |
| 25 | Y | 90.9 | Very high | 87.2 | Confident | 155 Ų | 155 | 105.4 Ų | 105.4 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -100.7 | -28.3 | -179.4 | -60.2 | -66 | 0 | 0 | 0 | 113.4 | K21 V23 M29 | K21-Y25 HydrophobicContact CB-CD2 4.35Å; K21-Y25 HydrophobicContact CB-CE2 4.36Å; K21-Y25 WeakPolarHBondContact O-CD2 3.15Å; K21-Y25 PolarHBondContact O-N 2.93Å; V23-Y25 VanDerWaalsContact C-N 3.31Å; V23-Y25 PolarHBondContact O-N 3.19Å; Y25-M29 PolarHBondContact O-N 3.23Å |
| 26 | G | 91.8 | Very high | 87.9 | Confident | 33 Ų | 33 | 99.1 Ų | 99.1 | 34% | 0.34 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.9 | -37 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T22 M29 L30 | T22-G26 WeakPolarHBondContact O-CA 3.14Å; T22-G26 PolarHBondContact O-N 3.23Å; G26-M29 PolarHBondContact O-N 3.18Å; G26-L30 WeakPolarHBondContact O-CB 3.42Å; G26-L30 PolarHBondContact O-N 3.3Å |
| 27 | V | 91.9 | Very high | 88.4 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | V23 M29 L30 L31 | V23-V27 HydrophobicContact CG1-CG2 3.72Å; V23-V27 WeakPolarHBondContact O-CB 3.14Å; V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 2.9Å; V27-M29 VanDerWaalsContact C-N 3.31Å; V27-M29 PolarHBondContact O-N 3.24Å; V27-L30 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.91Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3.27Å; V27-L31 VanDerWaalsContact O-CG 3.3Å; V27-L31 WeakPolarHBondContact O-CG 3.47Å; V27-L31 PolarHBondContact O-N 3.43Å |
| 28 | P | 93.1 | Very high | 89 | Confident | 66 Ų | 66 | 102.4 Ų | 102.4 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 173.5 | -25.4 | 34.9 | 0 | 0 | 0 | 113.6 | K24 L32 | K24-P28 WeakPolarHBondContact O-CD 3.41Å; K24-P28 VanDerWaalsContact O-CG 3.31Å; K24-P28 WeakPolarHBondContact O-CG 3.37Å; P28-L32 WeakPolarHBondContact O-CB 3.28Å; P28-L32 PolarHBondContact O-N 3.35Å |
| 29 | M | 93.6 | Very high | 89.4 | Confident | 132 Ų | 132 | 99.3 Ų | 99.3 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -45.6 | 177.3 | -171.7 | -165.9 | -177.2 | 0 | 0 | 111.6 | Y25 G26 V27 L32 V33 | Y25-M29 PolarHBondContact O-N 3.23Å; G26-M29 PolarHBondContact O-N 3.18Å; V27-M29 VanDerWaalsContact C-N 3.31Å; V27-M29 PolarHBondContact O-N 3.24Å; M29-L32 WeakPolarHBondContact O-CB 3.45Å; M29-L32 PolarHBondContact O-N 2.99Å; M29-V33 WeakPolarHBondContact O-CG2 3.22Å; M29-V33 PolarHBondContact O-N 2.94Å |
| 30 | L | 93.2 | Very high | 89.2 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 178.3 | -173.3 | 73.2 | 0 | 0 | 0 | 111.3 | G26 V27 L32 V33 I34 | G26-L30 WeakPolarHBondContact O-CB 3.42Å; G26-L30 PolarHBondContact O-N 3.3Å; V27-L30 PolarHBondContact O-N 3.38Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 2.97Å; L30-V33 PolarHBondContact O-N 3.37Å; L30-I34 HydrophobicContact CD1-CD1 4.17Å; L30-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CG-CD1 3.82Å; L30-I34 HydrophobicContact CG-CG1 4.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.24Å |
| 31 | L | 94.1 | Very high | 88.8 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -39.1 | 174.5 | -74.7 | 172.7 | 0 | 0 | 0 | 111.9 | V27 G35 | V27-L31 HydrophobicContact CG1-CD1 3.91Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3.27Å; V27-L31 VanDerWaalsContact O-CG 3.3Å; V27-L31 WeakPolarHBondContact O-CG 3.47Å; V27-L31 PolarHBondContact O-N 3.43Å; L31-G35 WeakPolarHBondContact O-CA 3.3Å; L31-G35 PolarHBondContact O-N 3.05Å |
| 32 | L | 93 | Very high | 88.1 | Confident | 133 Ų | 133 | 94 Ų | 94 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 174.4 | -95.1 | 166.4 | 0 | 0 | 0 | 112.5 | P28 M29 L30 G36 | P28-L32 WeakPolarHBondContact O-CB 3.28Å; P28-L32 PolarHBondContact O-N 3.35Å; M29-L32 WeakPolarHBondContact O-CB 3.45Å; M29-L32 PolarHBondContact O-N 2.99Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 2.97Å; L32-G36 WeakPolarHBondContact O-CA 3.38Å; L32-G36 PolarHBondContact O-N 2.83Å |
| 33 | V | 93.1 | Very high | 87.1 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -47.9 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | M29 L30 S37 | M29-V33 WeakPolarHBondContact O-CG2 3.22Å; M29-V33 PolarHBondContact O-N 2.94Å; L30-V33 PolarHBondContact O-N 3.37Å; V33-S37 WeakPolarHBondContact O-CB 3.24Å; V33-S37 PolarHBondContact O-N 3.33Å; V33-S37 PolarHBondContact O-OG 3.43Å |
| 34 | I | 93 | Very high | 86 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -47.1 | 179.5 | -62.8 | 171.1 | 0 | 0 | 0 | 110.2 | L30 S37 F38 | L30-I34 HydrophobicContact CD1-CD1 4.17Å; L30-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CG-CD1 3.82Å; L30-I34 HydrophobicContact CG-CG1 4.5Å; L30-I34 WeakPolarHBondContact O-CG1 3.36Å; L30-I34 PolarHBondContact O-N 3.24Å; I34-S37 PolarHBondContact O-N 2.99Å; I34-F38 WeakPolarHBondContact O-CB 3.47Å; I34-F38 PolarHBondContact O-N 3.07Å |
| 35 | G | 92.4 | Very high | 84.9 | Confident | 43 Ų | 43 | 95.3 Ų | 95.3 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L31 G39 | L31-G35 WeakPolarHBondContact O-CA 3.3Å; L31-G35 PolarHBondContact O-N 3.05Å; G35-G39 WeakPolarHBondContact O-CA 3.13Å; G35-G39 PolarHBondContact O-N 3.46Å |
| 36 | G | 90.1 | Very high | 83.6 | Confident | 29 Ų | 29 | 92.8 Ų | 92.8 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L32 F38 G39 L40 | L32-G36 WeakPolarHBondContact O-CA 3.38Å; L32-G36 PolarHBondContact O-N 2.83Å; G36-F38 PolarHBondContact O-N 3.2Å; G36-G39 PolarHBondContact O-N 3Å; G36-L40 VanDerWaalsContact O-CB 3.32Å; G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 WeakPolarHBondContact O-CD1 3.29Å; G36-L40 WeakPolarHBondContact O-CG 3.46Å; G36-L40 PolarHBondContact O-N 3.42Å |
| 37 | S | 87.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 99 Ų | 99 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | V33 I34 | V33-S37 WeakPolarHBondContact O-CB 3.24Å; V33-S37 PolarHBondContact O-N 3.33Å; V33-S37 PolarHBondContact O-OG 3.43Å; I34-S37 PolarHBondContact O-N 2.99Å |
| 38 | F | 86.9 | Confident | 80.6 | Confident | 145 Ų | 145 | 102.8 Ų | 102.8 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -78.2 | -38.6 | 177.8 | -132.5 | -96.6 | 0 | 0 | 0 | 112.4 | I34 G36 R41 | I34-F38 WeakPolarHBondContact O-CB 3.47Å; I34-F38 PolarHBondContact O-N 3.07Å; G36-F38 PolarHBondContact O-N 3.2Å; F38-R41 WeakPolarHBondContact O-CB 3.46Å; F38-R41 PolarHBondContact O-N 3.46Å |
| 39 | G | 83.3 | Confident | 79 | Confident | 39 Ų | 39 | 103.7 Ų | 103.7 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G35 G36 R41 F43 | G35-G39 WeakPolarHBondContact O-CA 3.13Å; G35-G39 PolarHBondContact O-N 3.46Å; G36-G39 PolarHBondContact O-N 3Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.48Å; G39-F43 WeakPolarHBondContact O-CD2 3.43Å |
| 40 | L | 78.1 | Confident | 77.4 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.3 | -21.7 | 177.8 | -72.1 | 163.8 | 0 | 0 | 0 | 113 | G36 E42 F43 T44 | G36-L40 VanDerWaalsContact O-CB 3.32Å; G36-L40 WeakPolarHBondContact O-CB 3.44Å; G36-L40 WeakPolarHBondContact O-CD1 3.29Å; G36-L40 WeakPolarHBondContact O-CG 3.46Å; G36-L40 PolarHBondContact O-N 3.42Å; L40-E42 VanDerWaalsContact C-N 3.3Å; L40-E42 PolarHBondContact O-N 3.08Å; L40-F43 PolarHBondContact O-N 3.27Å; L40-F43 VanDerWaalsContact O-N 3.16Å; L40-T44 WeakPolarHBondContact O-CG2 3.38Å; L40-T44 PolarHBondContact O-N 2.9Å; L40-T44 PolarHBondContact O-OG1 2.93Å |
| 41 | R | 73.6 | Confident | 75.8 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | -178.5 | -173.5 | 177.2 | 178.3 | 177.6 | -1.3 | 112.3 | F38 G39 T44 Q45 | F38-R41 WeakPolarHBondContact O-CB 3.46Å; F38-R41 PolarHBondContact O-N 3.46Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.48Å; R41-T44 PolarHBondContact O-OG1 3.03Å; R41-Q45 WeakPolarHBondContact O-CG 3.39Å; R41-Q45 PolarHBondContact O-NE2 2.79Å |
| 42 | E | 68.5 | Low | 74.1 | Confident | 112 Ų | 112 | 99.9 Ų | 99.9 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.9 | -63.7 | -56.9 | 134.5 | 0 | 0 | 111.6 | L40 T44 Q45 I46 | L40-E42 VanDerWaalsContact C-N 3.3Å; L40-E42 PolarHBondContact O-N 3.08Å; E42-T44 PolarHBondContact O-N 3.36Å; E42-Q45 PolarHBondContact O-N 3.44Å; E42-I46 WeakPolarHBondContact O-CG1 3.44Å |
| 43 | F | 67.4 | Low | 72.5 | Confident | 147 Ų | 147 | 99.7 Ų | 99.7 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -32.6 | 179 | -74.8 | -78.4 | 0 | 0 | 0 | 113.7 | G39 L40 Q45 I46 | G39-F43 WeakPolarHBondContact O-CD2 3.43Å; L40-F43 PolarHBondContact O-N 3.27Å; L40-F43 VanDerWaalsContact O-N 3.16Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 3.04Å; F43-I46 HydrophobicContact CD1-CD1 4.26Å |
| 44 | T | 64.4 | Low | 70.7 | Confident | 81 Ų | 81 | 106.4 Ų | 106.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.8 | -27.4 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | L40 R41 E42 Y48 | L40-T44 WeakPolarHBondContact O-CG2 3.38Å; L40-T44 PolarHBondContact O-N 2.9Å; L40-T44 PolarHBondContact O-OG1 2.93Å; R41-T44 PolarHBondContact O-OG1 3.03Å; E42-T44 PolarHBondContact O-N 3.36Å; T44-Y48 WeakPolarHBondContact O-CD2 3.45Å |
| 45 | Q | 63.3 | Low | 69 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.9 | -35 | 178.5 | -68.6 | 174.2 | 34.5 | 0 | 0 | 112 | R41 E42 F43 R47 Y48 D49 | R41-Q45 WeakPolarHBondContact O-CG 3.39Å; R41-Q45 PolarHBondContact O-NE2 2.79Å; E42-Q45 PolarHBondContact O-N 3.44Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 3.04Å; Q45-R47 PolarHBondContact O-N 2.81Å; Q45-R47 VanDerWaalsContact O-N 3.13Å; Q45-Y48 PolarHBondContact O-N 2.96Å; Q45-Y48 VanDerWaalsContact O-N 3.07Å; Q45-D49 PolarHBondContact O-N 3.44Å |
| 46 | I | 64.2 | Low | 67.3 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56 | -35.2 | 179.7 | -63 | 170.9 | 0 | 0 | 0 | 111.8 | E42 F43 A50 | E42-I46 WeakPolarHBondContact O-CG1 3.44Å; F43-I46 HydrophobicContact CD1-CD1 4.26Å; I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 3.06Å |
| 47 | R | 63.2 | Low | 65.7 | Low | 162 Ų | 162 | 119.7 Ų | 119.7 | 61% | 0.611 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -36.2 | -178.5 | -154.3 | -179.2 | 74 | 119.3 | 2.3 | 112.5 | Q45 Q51 | Q45-R47 PolarHBondContact O-N 2.81Å; Q45-R47 VanDerWaalsContact O-N 3.13Å; R47-Q51 PolarHBondContact O-N 3.36Å |
| 48 | Y | 57.8 | Low | 64.5 | Low | 152 Ų | 152 | 120.6 Ų | 120.6 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.1 | -39.9 | 177.7 | -73 | -73.6 | 0 | 0 | 0 | 111.5 | T44 Q45 Q51 K52 | T44-Y48 WeakPolarHBondContact O-CD2 3.45Å; Q45-Y48 PolarHBondContact O-N 2.96Å; Q45-Y48 VanDerWaalsContact O-N 3.07Å; Y48-Q51 PolarHBondContact O-N 2.97Å; Y48-K52 VanDerWaalsContact O-CB 3.29Å; Y48-K52 WeakPolarHBondContact O-CB 3.38Å; Y48-K52 PolarHBondContact O-N 3.28Å |
| 49 | D | 59.8 | Low | 63.3 | Low | 85 Ų | 85 | 118.3 Ų | 118.3 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.4 | -39.7 | 176.8 | -75.2 | -25 | 0 | 0 | 0 | 112.1 | Q45 Q51 K52 I53 | Q45-D49 PolarHBondContact O-N 3.44Å; D49-Q51 PolarHBondContact O-N 3.18Å; D49-K52 PolarHBondContact O-N 2.96Å; D49-I53 VanDerWaalsContact O-CG1 3.27Å; D49-I53 WeakPolarHBondContact O-CG1 3.48Å; D49-I53 PolarHBondContact O-N 3.16Å |
| 50 | A | 59.9 | Low | 62.3 | Low | 48 Ų | 48 | 119.7 Ų | 119.7 | 40% | 0.397 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I46 R54 | I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 3.06Å; A50-R54 WeakPolarHBondContact O-CG 3.48Å; A50-R54 PolarHBondContact O-N 3.42Å |
| 51 | Q | 59 | Low | 61.5 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 44% | 0.444 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.9 | -35.5 | 173.3 | -81.2 | -170.5 | -62.9 | 0 | 0 | 112.6 | R47 Y48 D49 I53 R54 K55 | R47-Q51 PolarHBondContact O-N 3.36Å; Y48-Q51 PolarHBondContact O-N 2.97Å; D49-Q51 PolarHBondContact O-N 3.18Å; Q51-I53 VanDerWaalsContact C-N 3.35Å; Q51-R54 PolarHBondContact O-N 3.48Å; Q51-K55 WeakPolarHBondContact O-CB 3.4Å; Q51-K55 WeakPolarHBondContact O-CG 3.46Å; Q51-K55 PolarHBondContact O-N 3.14Å |
| 52 | K | 58.3 | Low | 60.9 | Low | 128 Ų | 128 | 116.8 Ų | 116.8 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -36.5 | 176.6 | -171.3 | 174.6 | 178.9 | -176.5 | 0 | 111.7 | Y48 D49 R56 | Y48-K52 VanDerWaalsContact O-CB 3.29Å; Y48-K52 WeakPolarHBondContact O-CB 3.38Å; Y48-K52 PolarHBondContact O-N 3.28Å; D49-K52 PolarHBondContact O-N 2.96Å; K52-R56 VanDerWaalsContact O-CG 3.23Å; K52-R56 WeakPolarHBondContact O-CG 3.29Å; K52-R56 PolarHBondContact O-N 3.14Å |
| 53 | I | 58.2 | Low | 60.5 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 66% | 0.656 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.3 | -41.2 | 172.3 | -66.6 | 164.2 | 0 | 0 | 0 | 111 | D49 Q51 K55 R56 | D49-I53 VanDerWaalsContact O-CG1 3.27Å; D49-I53 WeakPolarHBondContact O-CG1 3.48Å; D49-I53 PolarHBondContact O-N 3.16Å; Q51-I53 VanDerWaalsContact C-N 3.35Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.4Å; I53-R56 PolarHBondContact O-N 3.25Å |
| 54 | R | 56.6 | Low | 60.3 | Low | 224 Ų | 224 | 116.4 Ų | 116.4 | 85% | 0.845 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.3 | -24.1 | 176.2 | -68.8 | -173.9 | 100.8 | -173.3 | 6.7 | 114.4 | A50 Q51 | A50-R54 WeakPolarHBondContact O-CG 3.48Å; A50-R54 PolarHBondContact O-N 3.42Å; Q51-R54 PolarHBondContact O-N 3.48Å |
| 55 | K | 56.8 | Low | 60.2 | Low | 166 Ų | 166 | 116.6 Ų | 116.6 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -85 | -17.7 | 175.5 | -78.7 | -172.8 | 177.6 | -171.3 | 0 | 113.8 | Q51 I53 L57 | Q51-K55 WeakPolarHBondContact O-CB 3.4Å; Q51-K55 WeakPolarHBondContact O-CG 3.46Å; Q51-K55 PolarHBondContact O-N 3.14Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.4Å; K55-L57 PolarHBondContact O-N 3.15Å |
| 56 | R | 57.5 | Low | 60.4 | Low | 186 Ų | 186 | 115.9 Ų | 115.9 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -71.2 | 91.8 | 165.1 | -68.2 | -99.9 | -179.4 | 134.8 | -3 | 105.5 | K52 I53 D58 | K52-R56 VanDerWaalsContact O-CG 3.23Å; K52-R56 WeakPolarHBondContact O-CG 3.29Å; K52-R56 PolarHBondContact O-N 3.14Å; I53-R56 PolarHBondContact O-N 3.25Å; R56-D58 PolarHBondContact O-N 3.14Å |
| 57 | L | 55.5 | Low | 60.5 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | trans | -48.9 | 138 | 168.3 | -85.7 | 138.1 | 0 | 0 | 0 | 107.8 | K55 L61 E62 | K55-L57 PolarHBondContact O-N 3.15Å; L57-L61 HydrophobicContact CD2-CB 3.96Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; L57-E62 HydrophobicContact CB-CG 3.53Å; L57-E62 HydrophobicContact CD1-CG 4.23Å; L57-E62 HydrophobicContact CG-CG 4.43Å | ||
| 58 | D | 62.1 | Low | 60.6 | Low | 103 Ų | 103 | 114 Ų | 114 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | trans | -51.5 | 128 | 172.1 | -145.2 | -36.8 | 0 | 0 | 0 | 107.4 | R56 S60 L61 E62 | R56-D58 PolarHBondContact O-N 3.14Å; D58-S60 PolarHBondContact O-N 3.26Å; D58-L61 HydrophobicContact CB-CD1 3.97Å; D58-L61 HydrophobicContact CB-CG 4.46Å; D58-L61 WeakPolarHBondContact O-CA 3.23Å; D58-L61 WeakPolarHBondContact O-CB 3.27Å; D58-L61 PolarHBondContact O-N 3.33Å; D58-E62 PolarHBondContact O-N 2.91Å | ||
| 59 | P | 62.5 | Low | 61.1 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.6 | -20.2 | -175.8 | 15.7 | -30 | 0 | 0 | 0 | 113.4 | A63 | P59-A63 WeakPolarHBondContact O-CB 3.42Å; P59-A63 PolarHBondContact O-N 3.28Å |
| 60 | S | 61.9 | Low | 61.6 | Low | 68 Ų | 68 | 114.3 Ų | 114.3 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.4 | -27.6 | 170.9 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | D58 K64 | D58-S60 PolarHBondContact O-N 3.26Å; S60-K64 WeakPolarHBondContact O-CG 3.18Å |
| 61 | L | 60.5 | Low | 62.1 | Low | 83 Ų | 83 | 114.2 Ų | 114.2 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -86.8 | -38.2 | 176.6 | -77 | 160.2 | 0 | 0 | 0 | 111.7 | L57 D58 A63 K64 V65 | L57-L61 HydrophobicContact CD2-CB 3.96Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; D58-L61 HydrophobicContact CB-CD1 3.97Å; D58-L61 HydrophobicContact CB-CG 4.46Å; D58-L61 WeakPolarHBondContact O-CA 3.23Å; D58-L61 WeakPolarHBondContact O-CB 3.27Å; D58-L61 PolarHBondContact O-N 3.33Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.01Å; L61-K64 WeakPolarHBondContact O-CB 3.41Å; L61-K64 PolarHBondContact O-N 3.12Å; L61-K64 VanDerWaalsContact O-N 3.12Å; L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 3.47Å |
| 62 | E | 61.4 | Low | 62.9 | Low | 107 Ų | 107 | 114 Ų | 114 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -39.4 | 172.2 | -72.3 | -177.8 | 171 | 0 | 0 | 111.4 | L57 D58 K64 V65 | L57-E62 HydrophobicContact CB-CG 3.53Å; L57-E62 HydrophobicContact CD1-CG 4.23Å; L57-E62 HydrophobicContact CG-CG 4.43Å; D58-E62 PolarHBondContact O-N 2.91Å; E62-K64 PolarHBondContact O-N 3.47Å; E62-V65 CarbonylContact O-C 3.34Å; E62-V65 PolarHBondContact O-N 2.97Å; E62-V65 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 61.1 | Low | 63.9 | Low | 77 Ų | 77 | 112.2 Ų | 112.2 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -25.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P59 L61 | P59-A63 WeakPolarHBondContact O-CB 3.42Å; P59-A63 PolarHBondContact O-N 3.28Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 3.01Å |
| 64 | K | 62.7 | Low | 65.3 | Low | 173 Ų | 173 | 111.8 Ų | 111.8 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -31.8 | 174.2 | -73.6 | 177.6 | 179.8 | -177.3 | 0 | 112.3 | S60 L61 E62 N66 | S60-K64 WeakPolarHBondContact O-CG 3.18Å; L61-K64 WeakPolarHBondContact O-CB 3.41Å; L61-K64 PolarHBondContact O-N 3.12Å; L61-K64 VanDerWaalsContact O-N 3.12Å; E62-K64 PolarHBondContact O-N 3.47Å; K64-N66 VanDerWaalsContact C-N 3.31Å; K64-N66 PolarHBondContact O-N 3.2Å |
| 65 | V | 62.3 | Low | 66.5 | Low | 85 Ų | 85 | 107.7 Ų | 107.7 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | trans | -93.9 | 66.2 | 178 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | L61 E62 A67 | L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 3.47Å; E62-V65 CarbonylContact O-C 3.34Å; E62-V65 PolarHBondContact O-N 2.97Å; E62-V65 VanDerWaalsContact O-N 3.14Å; V65-A67 PolarHBondContact O-N 3.41Å; V65-A67 VanDerWaalsContact O-N 3.14Å | ||
| 66 | N | 67.5 | Low | 68 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | trans | -76.2 | 102.3 | 172.4 | -156.1 | -45.6 | 0 | 0 | 0 | 107.8 | K64 E68 K69 Q70 | K64-N66 VanDerWaalsContact C-N 3.31Å; K64-N66 PolarHBondContact O-N 3.2Å; N66-E68 PolarHBondContact O-N 3.05Å; N66-E68 VanDerWaalsContact O-N 3.14Å; N66-K69 HydrophobicContact CB-CB 4.28Å; N66-K69 HydrophobicContact CB-CD 4Å; N66-K69 HydrophobicContact CB-CG 4Å; N66-K69 WeakPolarHBondContact O-CB 3.47Å; N66-K69 PolarHBondContact O-N 3.2Å; N66-Q70 PolarHBondContact O-N 3.22Å; N66-Q70 VanDerWaalsContact O-N 3.15Å | ||
| 67 | A | 66.3 | Low | 69.3 | Low | 70 Ų | 70 | 100 Ų | 100 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56 | -32.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V65 Q70 A71 | V65-A67 PolarHBondContact O-N 3.41Å; V65-A67 VanDerWaalsContact O-N 3.14Å; A67-Q70 PolarHBondContact O-N 2.96Å; A67-A71 PolarHBondContact O-N 3.37Å |
| 68 | E | 64.9 | Low | 70.8 | Confident | 155 Ų | 155 | 102.3 Ų | 102.3 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 175.2 | -63.1 | -178.7 | 174.8 | 0 | 0 | 111.9 | N66 Q70 A71 V72 | N66-E68 PolarHBondContact O-N 3.05Å; N66-E68 VanDerWaalsContact O-N 3.14Å; E68-Q70 VanDerWaalsContact C-N 3.26Å; E68-Q70 PolarHBondContact O-N 3.07Å; E68-A71 PolarHBondContact O-N 2.91Å; E68-V72 WeakPolarHBondContact O-CG2 3.33Å; E68-V72 PolarHBondContact O-N 3.17Å |
| 69 | K | 68.5 | Low | 72 | Confident | 138 Ų | 138 | 101.4 Ų | 101.4 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -35.4 | 175.2 | -64.1 | -173.4 | -179.5 | -178.4 | 0 | 111.3 | N66 V72 I73 | N66-K69 HydrophobicContact CB-CB 4.28Å; N66-K69 HydrophobicContact CB-CD 4Å; N66-K69 HydrophobicContact CB-CG 4Å; N66-K69 WeakPolarHBondContact O-CB 3.47Å; N66-K69 PolarHBondContact O-N 3.2Å; K69-V72 PolarHBondContact O-N 3.42Å; K69-I73 WeakPolarHBondContact O-CB 3.45Å; K69-I73 VanDerWaalsContact O-CD1 3.29Å; K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 WeakPolarHBondContact O-CG1 3.38Å; K69-I73 PolarHBondContact O-N 3.42Å |
| 70 | Q | 71.1 | Confident | 73.2 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -37.1 | -179.8 | -157.1 | 165.3 | 11.8 | 0 | 0 | 112 | N66 A67 E68 I73 L74 | N66-Q70 PolarHBondContact O-N 3.22Å; N66-Q70 VanDerWaalsContact O-N 3.15Å; A67-Q70 PolarHBondContact O-N 2.96Å; E68-Q70 VanDerWaalsContact C-N 3.26Å; E68-Q70 PolarHBondContact O-N 3.07Å; Q70-I73 PolarHBondContact O-N 2.86Å; Q70-L74 WeakPolarHBondContact O-CB 3.06Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 3.46Å |
| 71 | A | 69.8 | Low | 74.2 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A67 E68 I73 L74 E75 | A67-A71 PolarHBondContact O-N 3.37Å; E68-A71 PolarHBondContact O-N 2.91Å; A71-I73 VanDerWaalsContact C-N 3.33Å; A71-I73 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 2.74Å; A71-L74 VanDerWaalsContact O-N 3.16Å; A71-E75 PolarHBondContact O-N 2.92Å |
| 72 | V | 74.5 | Confident | 75.3 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | E68 K69 E75 E76 | E68-V72 WeakPolarHBondContact O-CG2 3.33Å; E68-V72 PolarHBondContact O-N 3.17Å; K69-V72 PolarHBondContact O-N 3.42Å; V72-E75 PolarHBondContact O-N 3.07Å; V72-E76 WeakPolarHBondContact O-CB 3.37Å; V72-E76 PolarHBondContact O-N 3.23Å |
| 73 | I | 81.1 | Confident | 76.2 | Confident | 90 Ų | 90 | 106.8 Ų | 106.8 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176 | -68.4 | 161.6 | 0 | 0 | 0 | 111.1 | K69 Q70 A71 E76 E77 | K69-I73 WeakPolarHBondContact O-CB 3.45Å; K69-I73 VanDerWaalsContact O-CD1 3.29Å; K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 WeakPolarHBondContact O-CG1 3.38Å; K69-I73 PolarHBondContact O-N 3.42Å; Q70-I73 PolarHBondContact O-N 2.86Å; A71-I73 VanDerWaalsContact C-N 3.33Å; A71-I73 PolarHBondContact O-N 2.9Å; I73-E76 PolarHBondContact O-N 2.97Å; I73-E77 HydrophobicContact CG2-CG 4.25Å; I73-E77 WeakPolarHBondContact O-CB 3.34Å; I73-E77 VanDerWaalsContact O-CG 3.3Å; I73-E77 WeakPolarHBondContact O-CG 3.32Å; I73-E77 PolarHBondContact O-N 2.72Å |
| 74 | L | 85.7 | Confident | 77.2 | Confident | 118 Ų | 118 | 107.1 Ų | 107.1 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 179.4 | -75.5 | 166.9 | 0 | 0 | 0 | 112.3 | Q70 A71 Y78 | Q70-L74 WeakPolarHBondContact O-CB 3.06Å; Q70-L74 VanDerWaalsContact O-CG 3.22Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 3.46Å; A71-L74 PolarHBondContact O-N 2.74Å; A71-L74 VanDerWaalsContact O-N 3.16Å; L74-Y78 VanDerWaalsContact O-CB 3.28Å; L74-Y78 WeakPolarHBondContact O-CB 3.36Å; L74-Y78 PolarHBondContact O-N 3.33Å |
| 75 | E | 82.9 | Confident | 77.8 | Confident | 138 Ų | 138 | 105.8 Ų | 105.8 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -42.1 | 174.8 | -71 | 176.6 | -177.1 | 0 | 0 | 111.7 | A71 V72 Y78 E79 | A71-E75 PolarHBondContact O-N 2.92Å; V72-E75 PolarHBondContact O-N 3.07Å; E75-Y78 WeakPolarHBondContact O-CB 3.49Å; E75-Y78 PolarHBondContact O-N 3.49Å; E75-E79 PolarHBondContact O-N 3.34Å |
| 76 | E | 87.3 | Confident | 78.4 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.6 | -166.3 | -165.8 | 141.4 | 0 | 0 | 111.8 | V72 I73 Y78 E79 K80 | V72-E76 WeakPolarHBondContact O-CB 3.37Å; V72-E76 PolarHBondContact O-N 3.23Å; I73-E76 PolarHBondContact O-N 2.97Å; E76-Y78 VanDerWaalsContact C-N 3.29Å; E76-Y78 PolarHBondContact O-N 3.5Å; E76-E79 PolarHBondContact O-N 3.47Å; E76-K80 WeakPolarHBondContact O-CG 3.44Å; E76-K80 PolarHBondContact O-N 3.16Å; E76-K80 VanDerWaalsContact O-N 3.08Å; E76-K80 VanDerWaalsContact OE1-CE 3.24Å; E76-K80 WeakPolarHBondContact OE1-CE 3.41Å; E76-K80 IonicContact OE1-NZ 2.83Å; E76-K80 PolarHBondContact OE1-NZ 3.41Å |
| 77 | E | 86.5 | Confident | 78.9 | Confident | 90 Ų | 90 | 112 Ų | 112 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65 | -34.5 | 175.5 | -70.1 | -61.3 | 126.3 | 0 | 0 | 111.8 | I73 K80 L81 | I73-E77 HydrophobicContact CG2-CG 4.25Å; I73-E77 WeakPolarHBondContact O-CB 3.34Å; I73-E77 VanDerWaalsContact O-CG 3.3Å; I73-E77 WeakPolarHBondContact O-CG 3.32Å; I73-E77 PolarHBondContact O-N 2.72Å; E77-K80 PolarHBondContact O-N 3.02Å; E77-K80 IonicContact OE1-NZ 2.79Å; E77-K80 PolarHBondContact OE1-NZ 3.24Å; E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.33Å; E77-L81 PolarHBondContact O-N 3.43Å |
| 78 | Y | 86.6 | Confident | 79.5 | Confident | 142 Ų | 142 | 116.4 Ų | 116.4 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -47.3 | 175.2 | 173.9 | -97 | 0 | 0 | 0 | 112.4 | L74 E75 E76 K80 L81 K82 | L74-Y78 VanDerWaalsContact O-CB 3.28Å; L74-Y78 WeakPolarHBondContact O-CB 3.36Å; L74-Y78 PolarHBondContact O-N 3.33Å; E75-Y78 WeakPolarHBondContact O-CB 3.49Å; E75-Y78 PolarHBondContact O-N 3.49Å; E76-Y78 VanDerWaalsContact C-N 3.29Å; E76-Y78 PolarHBondContact O-N 3.5Å; Y78-K80 VanDerWaalsContact C-N 3.33Å; Y78-K80 PolarHBondContact O-N 2.99Å; Y78-L81 PolarHBondContact O-N 3.31Å; Y78-K82 HydrophobicContact CE1-CD 4.08Å; Y78-K82 WeakPolarHBondContact O-CB 3.5Å; Y78-K82 PolarHBondContact O-N 3.13Å |
| 79 | E | 87.9 | Confident | 80.1 | Confident | 83 Ų | 83 | 118.4 Ų | 118.4 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -38.4 | 177.3 | -71.2 | -64 | 149.4 | 0 | 0 | 111.2 | E75 E76 L81 K82 E83 | E75-E79 PolarHBondContact O-N 3.34Å; E76-E79 PolarHBondContact O-N 3.47Å; E79-L81 PolarHBondContact O-N 3.5Å; E79-K82 PolarHBondContact O-N 3.47Å; E79-K82 IonicContact OE1-NZ 2.81Å; E79-K82 PolarHBondContact OE1-NZ 3.4Å; E79-K82 IonicContact OE2-NZ 3.05Å; E79-K82 PolarHBondContact OE2-NZ 2.76Å; E79-E83 WeakPolarHBondContact O-CG 3.21Å; E79-E83 PolarHBondContact O-N 3.26Å |
| 80 | K | 86.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 38% | 0.378 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.9 | -47.3 | 171.2 | -71.7 | 173 | -166.6 | 161 | 0 | 112 | E76 E77 Y78 K82 E83 I84 | E76-K80 WeakPolarHBondContact O-CG 3.44Å; E76-K80 PolarHBondContact O-N 3.16Å; E76-K80 VanDerWaalsContact O-N 3.08Å; E76-K80 VanDerWaalsContact OE1-CE 3.24Å; E76-K80 WeakPolarHBondContact OE1-CE 3.41Å; E76-K80 IonicContact OE1-NZ 2.83Å; E76-K80 PolarHBondContact OE1-NZ 3.41Å; E77-K80 PolarHBondContact O-N 3.02Å; E77-K80 IonicContact OE1-NZ 2.79Å; E77-K80 PolarHBondContact OE1-NZ 3.24Å; Y78-K80 VanDerWaalsContact C-N 3.33Å; Y78-K80 PolarHBondContact O-N 2.99Å; K80-K82 VanDerWaalsContact C-N 3.3Å; K80-K82 PolarHBondContact O-N 3.38Å; K80-E83 PolarHBondContact O-N 3.46Å; K80-I84 WeakPolarHBondContact O-CG1 3.19Å; K80-I84 PolarHBondContact O-N 3.1Å |
| 81 | L | 83.3 | Confident | 81 | Confident | 107 Ų | 107 | 119.4 Ų | 119.4 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -32.5 | -179.5 | -72.6 | 174.2 | 0 | 0 | 0 | 112.9 | E77 Y78 E79 I84 | E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.33Å; E77-L81 PolarHBondContact O-N 3.43Å; Y78-L81 PolarHBondContact O-N 3.31Å; E79-L81 PolarHBondContact O-N 3.5Å; L81-I84 HydrophobicContact CD2-CD1 3.98Å; L81-I84 PolarHBondContact O-N 2.96Å |
| 82 | K | 83.3 | Confident | 81.4 | Confident | 125 Ų | 125 | 122.1 Ų | 122.1 | 54% | 0.543 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.2 | -30.3 | 177.6 | -179.5 | -176.8 | 162.9 | -153.3 | 0 | 112.7 | Y78 E79 K80 I84 | Y78-K82 HydrophobicContact CE1-CD 4.08Å; Y78-K82 WeakPolarHBondContact O-CB 3.5Å; Y78-K82 PolarHBondContact O-N 3.13Å; E79-K82 PolarHBondContact O-N 3.47Å; E79-K82 IonicContact OE1-NZ 2.81Å; E79-K82 PolarHBondContact OE1-NZ 3.4Å; E79-K82 IonicContact OE2-NZ 3.05Å; E79-K82 PolarHBondContact OE2-NZ 2.76Å; K80-K82 VanDerWaalsContact C-N 3.3Å; K80-K82 PolarHBondContact O-N 3.38Å; K82-I84 VanDerWaalsContact C-N 3.3Å |
| 83 | E | 81.6 | Confident | 81.8 | Confident | 149 Ų | 149 | 123.4 Ų | 123.4 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.7 | -16.7 | 173 | -71.2 | 179.7 | 177.3 | 0 | 0 | 113.2 | E79 K80 H85 | E79-E83 WeakPolarHBondContact O-CG 3.21Å; E79-E83 PolarHBondContact O-N 3.26Å; K80-E83 PolarHBondContact O-N 3.46Å; E83-H85 PolarHBondContact O-N 2.79Å |
| 84 | I | 81.2 | Confident | 81.9 | Confident | 84 Ų | 84 | 121.7 Ų | 121.7 | 43% | 0.431 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -74.2 | 121.2 | 177.3 | -65.6 | 168 | 0 | 0 | 0 | 109.9 | K80 L81 K82 L86 | K80-I84 WeakPolarHBondContact O-CG1 3.19Å; K80-I84 PolarHBondContact O-N 3.1Å; L81-I84 HydrophobicContact CD2-CD1 3.98Å; L81-I84 PolarHBondContact O-N 2.96Å; K82-I84 VanDerWaalsContact C-N 3.3Å; I84-L86 HydrophobicContact CG2-CD2 4.42Å; I84-L86 PolarHBondContact O-N 3.05Å |
| 85 | H | 74.9 | Confident | 82 | Confident | 145 Ų | 145 | 118.7 Ų | 118.7 | 67% | 0.671 | 57% | 0.57 | S | S | * | * | trans | -69 | 91.3 | 170.5 | -69.4 | -70.9 | 0 | 0 | 0 | 110.9 | E83 D87 E88 | E83-H85 PolarHBondContact O-N 2.79Å; H85-D87 PolarHBondContact O-N 2.88Å; H85-E88 PolarHBondContact O-N 2.94Å | ||
| 86 | L | 74.9 | Confident | 82.3 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -63.6 | -21.7 | 179.4 | -66.9 | 168.4 | 0 | 0 | 0 | 113.3 | I84 E88 W89 | I84-L86 HydrophobicContact CG2-CD2 4.42Å; I84-L86 PolarHBondContact O-N 3.05Å; L86-E88 VanDerWaalsContact C-N 3.26Å; L86-E88 PolarHBondContact O-N 3.45Å; L86-W89 VanDerWaalsContact O-CB 3.26Å; L86-W89 WeakPolarHBondContact O-CB 3.31Å; L86-W89 PolarHBondContact O-N 3.28Å |
| 87 | D | 78.4 | Confident | 82.5 | Confident | 162 Ų | 162 | 119 Ų | 119 | 87% | 0.866 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -68.9 | -23 | -178.4 | -60.4 | -37.5 | 0 | 0 | 0 | 113.1 | H85 | H85-D87 PolarHBondContact O-N 2.88Š|
| 88 | E | 77.9 | Confident | 82.5 | Confident | 161 Ų | 161 | 124.2 Ų | 124.2 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -95.7 | 7.1 | 177.6 | -66.3 | -176.7 | -172 | 0 | 0 | 113.1 | H85 L86 K90 | H85-E88 PolarHBondContact O-N 2.94Å; L86-E88 VanDerWaalsContact C-N 3.26Å; L86-E88 PolarHBondContact O-N 3.45Å; E88-K90 PolarHBondContact O-N 2.94Å; E88-K90 VanDerWaalsContact O-N 3.1Å |
| 89 | W | 79.4 | Confident | 82.5 | Confident | 197 Ų | 197 | 119.6 Ų | 119.6 | 75% | 0.746 | 58% | 0.577 | S | S | * | * | trans | -62.2 | 115.6 | -176.7 | -177.8 | -92.1 | 0 | 0 | 0 | 111.9 | L86 | L86-W89 VanDerWaalsContact O-CB 3.26Å; L86-W89 WeakPolarHBondContact O-CB 3.31Å; L86-W89 PolarHBondContact O-N 3.28Å | ||
| 90 | K | 76.3 | Confident | 82.4 | Confident | 117 Ų | 117 | 120 Ų | 120 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | trans | -102.3 | 126.5 | 174.2 | -73.3 | -177.9 | -179.1 | 177.2 | 0 | 110.7 | E88 I92 L112 | E88-K90 PolarHBondContact O-N 2.94Å; E88-K90 VanDerWaalsContact O-N 3.1Å; K90-I92 PolarHBondContact O-N 3.33Å; K90-L112 HydrophobicContact CD-CD1 4.14Å | ||
| 91 | N | 80.4 | Confident | 82.4 | Confident | 149 Ų | 149 | 118.5 Ų | 118.5 | 80% | 0.797 | 58% | 0.583 | S | S | * | * | trans | -75 | 107.2 | 173.5 | -173.6 | -11.5 | 0 | 0 | 0 | 110.3 | ||||
| 92 | I | 78.7 | Confident | 82.5 | Confident | 104 Ų | 104 | 122.6 Ų | 122.6 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -98 | 120.8 | 175.7 | -56.2 | 174.5 | 0 | 0 | 0 | 108.6 | K90 Q108 | K90-I92 PolarHBondContact O-N 3.33Å; I92-Q108 HydrophobicContact CG2-CG 4.17Å |
| 93 | R | 82.2 | Confident | 82.5 | Confident | 118 Ų | 118 | 122.3 Ų | 122.3 | 45% | 0.445 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 140.3 | 171.3 | 25.1 | 164.3 | -65.8 | -142.5 | 8 | 110.4 | E99 Y104 | R93-E99 VanDerWaalsContact NH2-CD 3.29Å; R93-E99 IonicContact NH2-OE1 2.93Å; R93-E99 PolarHBondContact NH2-OE1 2.77Å; R93-E99 IonicContact NH2-OE2 2.9Å; R93-E99 PolarHBondContact NH2-OE2 2.95Å; R93-Y104 WeakPolarHBondContact CB-OH 3.32Å; R93-Y104 WeakPolarHBondContact CD-OH 3.25Å; R93-Y104 WeakPolarHBondContact CG-OH 3.3Å; R93-Y104 VanDerWaalsContact CZ-CE2 3.45Å; R93-Y104 PolarHBondContact NE-OH 3.08Å; R93-Y104 VanDerWaalsContact NH2-CE2 3.27Å; R93-Y104 WeakPolarHBondContact O-CE1 3.29Å; R93-Y104 PolarHBondContact O-OH 3.22Å |
| 94 | G | 85 | Confident | 82.6 | Confident | 53 Ų | 53 | 115.9 Ų | 115.9 | 55% | 0.546 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 162.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 95 | P | 87.9 | Confident | 82.6 | Confident | 55 Ų | 55 | 116.7 Ų | 116.7 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 139.7 | 173.5 | 27.9 | -32.3 | 0 | 0 | 0 | 110 | E99 Y104 | P95-E99 HydrophobicContact CB-CB 4.38Å; P95-Y104 HydrophobicContact CB-CD1 3.84Å; P95-Y104 HydrophobicContact CB-CE1 4.39Å; P95-Y104 HydrophobicContact CB-CG 4.21Å; P95-Y104 HydrophobicContact CG-CD1 4.47Å |
| 96 | R | 88 | Confident | 83.1 | Confident | 116 Ų | 116 | 116 Ų | 116 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 157.2 | 170.6 | -59.1 | -172.6 | 179 | 108.8 | -9.4 | 109.9 | W98 E99 | R96-W98 HydrophobicContact CB-CD2 3.9Å; R96-W98 HydrophobicContact CB-CE3 4.18Å; R96-W98 HydrophobicContact CB-CG 4.47Å; R96-W98 HydrophobicContact CB-CH2 4.25Å; R96-W98 HydrophobicContact CB-CZ2 3.99Å; R96-W98 HydrophobicContact CB-CZ3 4.33Å; R96-W98 HydrophobicContact CG-CZ2 4.19Å; R96-W98 PolarHBondContact O-N 2.98Å; R96-E99 HydrophobicContact CB-CB 4.34Å; R96-E99 HydrophobicContact CB-CG 3.89Å; R96-E99 HydrophobicContact CG-CG 4.37Å; R96-E99 WeakPolarHBondContact CG-OE2 3.41Å; R96-E99 IonicContact CZ-OE1 3.64Å; R96-E99 PolarHBondContact N-OE2 3.37Å; R96-E99 IonicContact NE-OE1 3.93Å; R96-E99 IonicContact NH1-OE1 2.68Å; R96-E99 PolarHBondContact NH1-OE1 3.05Å; R96-E99 PolarHBondContact O-N 3.31Å |
| 97 | P | 90.9 | Very high | 83.5 | Confident | 131 Ų | 131 | 115.1 Ų | 115.1 | 85% | 0.851 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -20.2 | -179.6 | -26.9 | 34.8 | 0 | 0 | 0 | 115 | ||
| 98 | W | 87.9 | Confident | 83.7 | Confident | 200 Ų | 200 | 110 Ų | 110 | 76% | 0.758 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 3.7 | 178.2 | 60.6 | 85.4 | 0 | 0 | 0 | 114 | R96 | R96-W98 HydrophobicContact CB-CD2 3.9Å; R96-W98 HydrophobicContact CB-CE3 4.18Å; R96-W98 HydrophobicContact CB-CG 4.47Å; R96-W98 HydrophobicContact CB-CH2 4.25Å; R96-W98 HydrophobicContact CB-CZ2 3.99Å; R96-W98 HydrophobicContact CB-CZ3 4.33Å; R96-W98 HydrophobicContact CG-CZ2 4.19Å; R96-W98 PolarHBondContact O-N 2.98Å |
| 99 | E | 85.8 | Confident | 83.9 | Confident | 45 Ų | 45 | 111.1 Ų | 111.1 | 21% | 0.21 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -95.6 | 133.1 | 174 | -71.6 | 171.8 | 175.7 | 0 | 0 | 109 | R93 P95 R96 S101 | R93-E99 VanDerWaalsContact NH2-CD 3.29Å; R93-E99 IonicContact NH2-OE1 2.93Å; R93-E99 PolarHBondContact NH2-OE1 2.77Å; R93-E99 IonicContact NH2-OE2 2.9Å; R93-E99 PolarHBondContact NH2-OE2 2.95Å; P95-E99 HydrophobicContact CB-CB 4.38Å; R96-E99 HydrophobicContact CB-CB 4.34Å; R96-E99 HydrophobicContact CB-CG 3.89Å; R96-E99 HydrophobicContact CG-CG 4.37Å; R96-E99 WeakPolarHBondContact CG-OE2 3.41Å; R96-E99 IonicContact CZ-OE1 3.64Å; R96-E99 PolarHBondContact N-OE2 3.37Å; R96-E99 IonicContact NE-OE1 3.93Å; R96-E99 IonicContact NH1-OE1 2.68Å; R96-E99 PolarHBondContact NH1-OE1 3.05Å; R96-E99 PolarHBondContact O-N 3.31Å; E99-S101 PolarHBondContact O-N 2.99Å |
| 100 | D | 86.8 | Confident | 84.2 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | trans | -64.4 | 123.5 | 173.2 | -169.1 | -32.8 | 0 | 0 | 0 | 109.3 | R102 E103 Y104 | D100-R102 PolarHBondContact O-N 3.36Å; D100-R102 PolarHBondContact OD1-N 3.26Å; D100-E103 HydrophobicContact CB-CB 4.45Å; D100-E103 HydrophobicContact CB-CG 4.38Å; D100-Y104 WeakPolarHBondContact O-CB 3.33Å; D100-Y104 PolarHBondContact O-N 2.98Å; D100-Y104 VanDerWaalsContact O-N 3.11Å | ||
| 101 | S | 86.1 | Confident | 84.3 | Confident | 56 Ų | 56 | 102 Ų | 102 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -30.4 | -177.3 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | E99 Q105 | E99-S101 PolarHBondContact O-N 2.99Å; S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 WeakPolarHBondContact O-CG 3.36Å; S101-Q105 PolarHBondContact O-N 3.42Å; S101-Q105 PolarHBondContact O-NE2 2.79Å |
| 102 | R | 84 | Confident | 84.2 | Confident | 192 Ų | 192 | 99.5 Ų | 99.5 | 73% | 0.725 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.5 | -54.8 | -177.4 | -68.2 | -178.2 | 179 | 174.8 | 0.7 | 111.3 | D100 Y104 Q105 E106 | D100-R102 PolarHBondContact O-N 3.36Å; D100-R102 PolarHBondContact OD1-N 3.26Å; R102-Y104 PolarHBondContact O-N 2.87Å; R102-Q105 PolarHBondContact O-N 3.44Å; R102-E106 WeakPolarHBondContact O-CG 3.33Å; R102-E106 PolarHBondContact O-N 3.35Å |
| 103 | E | 83.9 | Confident | 84 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 178.1 | -64.7 | -172.5 | 163.3 | 0 | 0 | 111.5 | D100 E106 Q107 | D100-E103 HydrophobicContact CB-CB 4.45Å; D100-E103 HydrophobicContact CB-CG 4.38Å; E103-E106 PolarHBondContact O-N 3.16Å; E103-Q107 WeakPolarHBondContact O-CG 3.29Å; E103-Q107 PolarHBondContact O-N 3.12Å |
| 104 | Y | 82.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 100.5 Ų | 100.5 | 5% | 0.051 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 178.5 | -177.2 | -101.1 | 0 | 0 | 0 | 112.4 | R93 P95 D100 R102 Q107 Q108 | R93-Y104 WeakPolarHBondContact CB-OH 3.32Å; R93-Y104 WeakPolarHBondContact CD-OH 3.25Å; R93-Y104 WeakPolarHBondContact CG-OH 3.3Å; R93-Y104 VanDerWaalsContact CZ-CE2 3.45Å; R93-Y104 PolarHBondContact NE-OH 3.08Å; R93-Y104 VanDerWaalsContact NH2-CE2 3.27Å; R93-Y104 WeakPolarHBondContact O-CE1 3.29Å; R93-Y104 PolarHBondContact O-OH 3.22Å; P95-Y104 HydrophobicContact CB-CD1 3.84Å; P95-Y104 HydrophobicContact CB-CE1 4.39Å; P95-Y104 HydrophobicContact CB-CG 4.21Å; P95-Y104 HydrophobicContact CG-CD1 4.47Å; D100-Y104 WeakPolarHBondContact O-CB 3.33Å; D100-Y104 PolarHBondContact O-N 2.98Å; D100-Y104 VanDerWaalsContact O-N 3.11Å; R102-Y104 PolarHBondContact O-N 2.87Å; Y104-Q107 PolarHBondContact O-N 3.3Å; Y104-Q108 HydrophobicContact CD1-CG 4.49Å; Y104-Q108 HydrophobicContact CE1-CG 4.09Å; Y104-Q108 WeakPolarHBondContact O-CG 3.4Å; Y104-Q108 PolarHBondContact O-N 2.89Å |
| 105 | Q | 82.8 | Confident | 82.5 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 175.3 | -75.9 | 173.2 | 46 | 0 | 0 | 112.4 | S101 R102 Q108 R109 | S101-Q105 WeakPolarHBondContact O-CB 3.43Å; S101-Q105 WeakPolarHBondContact O-CG 3.36Å; S101-Q105 PolarHBondContact O-N 3.42Å; S101-Q105 PolarHBondContact O-NE2 2.79Å; R102-Q105 PolarHBondContact O-N 3.44Å; Q105-Q108 PolarHBondContact O-N 2.92Å; Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.38Å |
| 106 | E | 85.4 | Confident | 80.9 | Confident | 129 Ų | 129 | 110.9 Ų | 110.9 | 60% | 0.603 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 175.9 | -73.2 | 174.6 | -172 | 0 | 0 | 111.6 | R102 E103 Q108 R109 S110 | R102-E106 WeakPolarHBondContact O-CG 3.33Å; R102-E106 PolarHBondContact O-N 3.35Å; E103-E106 PolarHBondContact O-N 3.16Å; E106-Q108 PolarHBondContact O-N 3.41Å; E106-R109 PolarHBondContact O-N 2.94Å; E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 2.93Å; E106-S110 PolarHBondContact O-OG 3.47Å |
| 107 | Q | 82.6 | Confident | 80.5 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 173.3 | -73.7 | 175.6 | 29.6 | 0 | 0 | 111.8 | E103 Y104 R109 S110 N111 | E103-Q107 WeakPolarHBondContact O-CG 3.29Å; E103-Q107 PolarHBondContact O-N 3.12Å; Y104-Q107 PolarHBondContact O-N 3.3Å; Q107-R109 PolarHBondContact O-N 3.49Å; Q107-S110 PolarHBondContact O-N 2.96Å; Q107-S110 PolarHBondContact O-OG 3.44Å; Q107-N111 WeakPolarHBondContact O-CB 3.49Å; Q107-N111 VanDerWaalsContact O-CG 3.27Å; Q107-N111 PolarHBondContact O-N 3.42Å; Q107-N111 PolarHBondContact O-ND2 3.4Å |
| 108 | Q | 82.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 109.5 Ų | 109.5 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 176.3 | -65.4 | -54.3 | -54.4 | 0 | 0 | 111.7 | I92 Y104 Q105 E106 S110 N111 L112 | I92-Q108 HydrophobicContact CG2-CG 4.17Å; Y104-Q108 HydrophobicContact CD1-CG 4.49Å; Y104-Q108 HydrophobicContact CE1-CG 4.09Å; Y104-Q108 WeakPolarHBondContact O-CG 3.4Å; Y104-Q108 PolarHBondContact O-N 2.89Å; Q105-Q108 PolarHBondContact O-N 2.92Å; E106-Q108 PolarHBondContact O-N 3.41Å; Q108-S110 PolarHBondContact O-N 3.49Å; Q108-N111 PolarHBondContact O-N 3.03Å; Q108-L112 WeakPolarHBondContact O-CB 3.27Å; Q108-L112 PolarHBondContact O-N 3.13Å |
| 109 | R | 82.8 | Confident | 79.5 | Confident | 183 Ų | 183 | 104.5 Ų | 104.5 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 177.8 | -73.1 | 174.4 | -176.2 | -112.1 | 2.3 | 112.1 | Q105 E106 Q107 L112 S113 | Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.38Å; E106-R109 PolarHBondContact O-N 2.94Å; Q107-R109 PolarHBondContact O-N 3.49Å; R109-L112 WeakPolarHBondContact O-CB 3.43Å; R109-L112 PolarHBondContact O-N 3.41Å; R109-S113 PolarHBondContact O-N 3.48Å |
| 110 | S | 83.9 | Confident | 79.1 | Confident | 43 Ų | 43 | 108 Ų | 108 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | -179.9 | 75 | 0 | 0 | 0 | 0 | 113.2 | E106 Q107 Q108 S113 K114 | E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 2.93Å; E106-S110 PolarHBondContact O-OG 3.47Å; Q107-S110 PolarHBondContact O-N 2.96Å; Q107-S110 PolarHBondContact O-OG 3.44Å; Q108-S110 PolarHBondContact O-N 3.49Å; S110-S113 PolarHBondContact O-OG 3.47Å; S110-K114 WeakPolarHBondContact O-CD 3.4Å; S110-K114 VanDerWaalsContact O-CG 3.24Å; S110-K114 WeakPolarHBondContact O-CG 3.36Å; S110-K114 PolarHBondContact O-N 2.92Å |
| 111 | N | 79.6 | Confident | 78.7 | Confident | 79 Ų | 79 | 109.1 Ų | 109.1 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.8 | -36.1 | 175.1 | -70.5 | -19.5 | 0 | 0 | 0 | 111.2 | Q107 Q108 K114 T115 | Q107-N111 WeakPolarHBondContact O-CB 3.49Å; Q107-N111 VanDerWaalsContact O-CG 3.27Å; Q107-N111 PolarHBondContact O-N 3.42Å; Q107-N111 PolarHBondContact O-ND2 3.4Å; Q108-N111 PolarHBondContact O-N 3.03Å; N111-K114 PolarHBondContact O-N 2.98Å; N111-T115 PolarHBondContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 3.17Å |
| 112 | L | 77.4 | Confident | 78.2 | Confident | 97 Ų | 97 | 112.6 Ų | 112.6 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174 | -152.4 | 87 | 0 | 0 | 0 | 111.2 | K90 Q108 R109 K114 T115 | K90-L112 HydrophobicContact CD-CD1 4.14Å; Q108-L112 WeakPolarHBondContact O-CB 3.27Å; Q108-L112 PolarHBondContact O-N 3.13Å; R109-L112 WeakPolarHBondContact O-CB 3.43Å; R109-L112 PolarHBondContact O-N 3.41Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.48Å; L112-T115 PolarHBondContact O-N 3.35Å |
| 113 | S | 75.3 | Confident | 77.7 | Confident | 85 Ų | 85 | 106.9 Ų | 106.9 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.3 | -22.5 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | R109 S110 | R109-S113 PolarHBondContact O-N 3.48Å; S110-S113 PolarHBondContact O-OG 3.47Å |
| 114 | K | 71.9 | Confident | 77.3 | Confident | 159 Ų | 159 | 105.9 Ų | 105.9 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -82.9 | -16.6 | 175.7 | -73.4 | 169.5 | -173.6 | 172.1 | 0 | 113.6 | S110 N111 L112 H116 | S110-K114 WeakPolarHBondContact O-CD 3.4Å; S110-K114 VanDerWaalsContact O-CG 3.24Å; S110-K114 WeakPolarHBondContact O-CG 3.36Å; S110-K114 PolarHBondContact O-N 2.92Å; N111-K114 PolarHBondContact O-N 2.98Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.48Å; K114-H116 VanDerWaalsContact C-N 3.29Å |
| 115 | T | 64.3 | Low | 76.8 | Confident | 100 Ų | 100 | 113.7 Ų | 113.7 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | trans | -88.8 | 0.6 | -176.4 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | N111 L112 | N111-T115 PolarHBondContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 3.17Å; L112-T115 PolarHBondContact O-N 3.35Å | ||
| 116 | H | 52.8 | Low | 76.2 | Confident | 225 Ų | 225 | 114.7 Ų | 114.7 | 100% | 1.042 | 57% | 0.566 | S | S | * | * | trans | -121.9 | 0 | -174 | -151 | -51.2 | 0 | 0 | 0 | 112 | K114 | K114-H116 VanDerWaalsContact C-N 3.29Š|
Retrieved 116 of 116 residues in 166.8 ms
(Link to these results)