| 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 | 77 | Confident | 91.8 | Very high | 221 Ų | 221 | 136.3 Ų | 136.3 | 100% | 1.089 | 62% | 0.618 | S | S | * | * | 0 | 124.8 | 0 | -176.6 | -177 | -171.3 | 0 | 0 | 109.5 | |||||
| 2 | Q | 87.5 | Confident | 92.1 | Very high | 116 Ų | 116 | 139.8 Ų | 139.8 | 54% | 0.542 | 63% | 0.625 | S | S | . | * | trans | -81.5 | 123.7 | 178.8 | -68.7 | -179.9 | 0.2 | 0 | 0 | 111.3 | ||||
| 3 | R | 90.8 | Very high | 92.4 | Very high | 248 Ų | 248 | 139.5 Ų | 139.5 | 94% | 0.936 | 63% | 0.632 | S | S | * | * | trans | -81.1 | 148.6 | 170.4 | -68 | -177.3 | -178.3 | 178.4 | 1.4 | 109.8 | ||||
| 4 | L | 92.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 133.9 Ų | 133.9 | 22% | 0.215 | 61% | 0.614 | C | S | . | * | trans | -127.8 | 142.5 | -174.3 | -60.9 | 178.2 | 0 | 0 | 0 | 111.3 | K21 V29 Y31 | L4-K21 HydrophobicContact CD1-CB 4.39Å; L4-K21 HydrophobicContact CD1-CD 3.86Å; L4-K21 HydrophobicContact CD1-CG 3.7Å; L4-V29 HydrophobicContact CD1-CG1 3.91Å; L4-V29 HydrophobicContact CD2-CB 4.15Å; L4-V29 HydrophobicContact CD2-CG1 4.13Å; L4-V29 WeakPolarHBondContact CD2-O 3.35Å; L4-Y31 HydrophobicContact CB-CD2 3.83Å; L4-Y31 HydrophobicContact CB-CE2 3.31Å; L4-Y31 HydrophobicContact CD1-CD1 3.95Å; L4-Y31 HydrophobicContact CD1-CD2 4.19Å; L4-Y31 HydrophobicContact CD1-CE1 3.71Å; L4-Y31 HydrophobicContact CD1-CE2 3.96Å; L4-Y31 HydrophobicContact CD1-CG 4.17Å; L4-Y31 HydrophobicContact CG-CE2 4.29Å | ||
| 5 | T | 94.2 | Very high | 92.7 | Very high | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | trans | -96.4 | 150.9 | 172.9 | 54 | 0 | 0 | 0 | 0 | 111.3 | Y31 | T5-Y31 WeakPolarHBondContact O-CD2 3.34Š| ||
| 6 | L | 95.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 127.6 Ų | 127.6 | 29% | 0.288 | 60% | 0.599 | S | S | . | * | trans | -71.2 | 137.6 | 171.7 | -80.3 | 174.6 | 0 | 0 | 0 | 110.4 | L10 S11 Y31 Y33 | L6-L10 WeakPolarHBondContact CD1-O 3.42Å; L6-S11 WeakPolarHBondContact CD1-O 3.4Å; L6-Y31 HydrophobicContact CD2-CD2 4.47Å; L6-Y33 HydrophobicContact CD2-CE1 4.47Å | ||
| 7 | R | 93.8 | Very high | 93 | Very high | 174 Ų | 174 | 120.1 Ų | 120.1 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -95.3 | -6 | 179 | -56.3 | 168.7 | 60.7 | -175 | 2.8 | 113.6 | Y33 | R7-Y33 HydrophobicContact CB-CE2 4.05Å; R7-Y33 PolarHBondContact N-OH 3.27Å |
| 8 | R | 94.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 119.7 Ų | 119.7 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -114.8 | 154.6 | 178.9 | -74.8 | -179.4 | 179.3 | 166.7 | -0.3 | 108.9 | L10 Y33 | R8-L10 PolarHBondContact O-N 3.45Å; R8-Y33 HydrophobicContact CB-CE1 4.34Å; R8-Y33 HydrophobicContact CB-CE2 4.42Å; R8-Y33 WeakPolarHBondContact CB-OH 3.45Å; R8-Y33 HydrophobicContact CG-CD2 4.28Å; R8-Y33 HydrophobicContact CG-CE1 4.08Å; R8-Y33 HydrophobicContact CG-CE2 3.64Å; R8-Y33 VanDerWaalsContact CZ-CG 3.42Å; R8-Y33 PolarHBondContact N-OH 3.29Å |
| 9 | R | 95.4 | Very high | 93.3 | Very high | 244 Ų | 244 | 117 Ų | 117 | 92% | 0.921 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -54.1 | -25.8 | 175.3 | 71.8 | 177.8 | -173.5 | 166 | 1.8 | 115.2 | S11 | R9-S11 PolarHBondContact O-N 3.09Š|
| 10 | L | 93.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 117.9 Ų | 117.9 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | trans | -78.6 | 109.2 | -175.5 | -61.9 | 174.6 | 0 | 0 | 0 | 110.7 | L6 R8 N17 | L6-L10 WeakPolarHBondContact CD1-O 3.42Å; R8-L10 PolarHBondContact O-N 3.45Å; L10-N17 PolarHBondContact O-ND2 2.92Å | ||
| 11 | S | 94.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 117.5 Ų | 117.5 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | trans | -79.2 | -33.4 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | L6 R9 | L6-S11 WeakPolarHBondContact CD1-O 3.4Å; R9-S11 PolarHBondContact O-N 3.09Å | ||
| 12 | Y | 96.4 | Very high | 94.4 | Very high | 179 Ų | 179 | 109.1 Ų | 109.1 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -74.1 | 151.1 | -172.7 | -54.4 | -77.5 | 0 | 0 | 0 | 114.5 | T14 N17 | Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 PolarHBondContact O-N 3.43Å; Y12-N17 PolarHBondContact O-ND2 3.37Å |
| 13 | N | 95 | Very high | 94.8 | Very high | 135 Ų | 135 | 111.7 Ų | 111.7 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | trans | -83.4 | 68.1 | 176.9 | -171.8 | 19.9 | 0 | 0 | 0 | 112.3 | ||||
| 14 | T | 95.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 102.5 Ų | 102.5 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | trans | -89.7 | 159.3 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | Y12 S16 N17 | Y12-T14 VanDerWaalsContact C-N 3.32Å; Y12-T14 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact O-N 3.36Å; T14-S16 PolarHBondContact OG1-OG 3.17Å; T14-N17 CarbonylContact O-C 3.59Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-N17 PolarHBondContact OG1-N 2.92Å | ||
| 15 | N | 94.2 | Very high | 95.2 | Very high | 110 Ų | 110 | 107.5 Ų | 107.5 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.7 | 174.4 | -78.5 | -36.5 | 0 | 0 | 0 | 114 | K18 | N15-K18 VanDerWaalsContact OD1-CE 3.25Å; N15-K18 WeakPolarHBondContact OD1-CE 3.07Å; N15-K18 PolarHBondContact OD1-NZ 3.49Å |
| 16 | S | 94 | Very high | 95.2 | Very high | 56 Ų | 56 | 104.9 Ų | 104.9 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -24.2 | 175.6 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | T14 | T14-S16 PolarHBondContact O-N 3.36Å; T14-S16 PolarHBondContact OG1-OG 3.17Å |
| 17 | N | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 104.8 Ų | 104.8 | 0% | 0 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -105.2 | 27.7 | -175.3 | -160 | 31.4 | 0 | 0 | 0 | 112.2 | L10 Y12 T14 R19 Y33 | L10-N17 PolarHBondContact O-ND2 2.92Å; Y12-N17 PolarHBondContact O-ND2 3.37Å; T14-N17 CarbonylContact O-C 3.59Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-N17 PolarHBondContact OG1-N 2.92Å; N17-R19 WeakPolarHBondContact O-CG 3.39Å; N17-R19 PolarHBondContact O-NE 3.24Å; N17-Y33 WeakPolarHBondContact OD1-CE1 3Å |
| 18 | K | 95.9 | Very high | 94.9 | Very high | 113 Ų | 113 | 103.8 Ų | 103.8 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | trans | -67.4 | 141.4 | 174.1 | -74.4 | -169.4 | 174.2 | -177 | 0 | 110.6 | N15 V34 | N15-K18 VanDerWaalsContact OD1-CE 3.25Å; N15-K18 WeakPolarHBondContact OD1-CE 3.07Å; N15-K18 PolarHBondContact OD1-NZ 3.49Å; K18-V34 PolarHBondContact O-N 3.07Å | ||
| 19 | R | 96 | Very high | 95 | Very high | 69 Ų | 69 | 99.2 Ų | 99.2 | 26% | 0.26 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.6 | -167.5 | -69.5 | 161.7 | -86.4 | 162.1 | -10.6 | 110.2 | N17 Y31 I32 Y33 | N17-R19 WeakPolarHBondContact O-CG 3.39Å; N17-R19 PolarHBondContact O-NE 3.24Å; R19-Y31 HydrophobicContact CB-CD1 3.75Å; R19-Y31 HydrophobicContact CB-CE1 4.29Å; R19-Y31 HydrophobicContact CB-CG 4.23Å; R19-Y31 HydrophobicContact CG-CD1 4.43Å; R19-Y31 HydrophobicContact CG-CG 4.44Å; R19-I32 CarbonylContact C-O 3.49Å; R19-I32 WeakPolarHBondContact CA-O 3.22Å; R19-Y33 HydrophobicContact CG-CD1 3.67Å; R19-Y33 HydrophobicContact CG-CE1 3.62Å |
| 20 | K | 95.5 | Very high | 94.9 | Very high | 134 Ų | 134 | 89.4 Ų | 89.4 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.7 | 169.3 | -174.3 | -179.6 | 178.1 | -176.7 | 0 | 108.5 | V22 I32 V34 | K20-V22 HydrophobicContact CB-CG2 4.4Å; K20-V22 HydrophobicContact CD-CG2 3.98Å; K20-V22 HydrophobicContact CG-CG2 3.92Å; K20-I32 PolarHBondContact N-O 3.26Å; K20-I32 PolarHBondContact O-N 2.99Å; K20-V34 HydrophobicContact CB-CG2 3.88Å |
| 21 | K | 95.6 | Very high | 95 | Very high | 111 Ų | 111 | 87.7 Ų | 87.7 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125.3 | 169.3 | -62.2 | -174.6 | -177.4 | 177.7 | 0 | 108.1 | L4 V29 Y31 | L4-K21 HydrophobicContact CD1-CB 4.39Å; L4-K21 HydrophobicContact CD1-CD 3.86Å; L4-K21 HydrophobicContact CD1-CG 3.7Å; K21-V29 HydrophobicContact CB-CG1 4.19Å; K21-Y31 HydrophobicContact CD-CE1 4.31Å; K21-Y31 HydrophobicContact CG-CD1 3.98Å; K21-Y31 HydrophobicContact CG-CE1 3.56Å |
| 22 | V | 95.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 88.3 Ų | 88.3 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.5 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | K20 V30 I32 | K20-V22 HydrophobicContact CB-CG2 4.4Å; K20-V22 HydrophobicContact CD-CG2 3.98Å; K20-V22 HydrophobicContact CG-CG2 3.92Å; V22-V30 PolarHBondContact N-O 2.85Å; V22-V30 PolarHBondContact O-N 3.28Å; V22-I32 HydrophobicContact CB-CD1 3.85Å; V22-I32 HydrophobicContact CB-CG1 4.18Å; V22-I32 HydrophobicContact CG1-CD1 4.02Å; V22-I32 HydrophobicContact CG2-CB 4.41Å; V22-I32 HydrophobicContact CG2-CD1 3.83Å; V22-I32 HydrophobicContact CG2-CG1 4.14Å |
| 23 | K | 95.4 | Very high | 95.1 | Very high | 170 Ų | 170 | 81.5 Ų | 81.5 | 74% | 0.739 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.8 | 170 | -73 | -176.8 | 177.6 | -174.5 | 0 | 108.4 | V29 | K23-V29 HydrophobicContact CG-CG2 3.95Å |
| 24 | T | 94.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 78.4 Ų | 78.4 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | trans | -78.1 | 156.3 | 171 | 60.2 | 0 | 0 | 0 | 0 | 110 | G26 G27 K28 V30 | T24-G26 PolarHBondContact O-N 3.38Å; T24-G26 VanDerWaalsContact O-N 3.16Å; T24-G27 PolarHBondContact O-N 3.34Å; T24-K28 PolarHBondContact N-O 3.29Å; T24-K28 PolarHBondContact OG1-N 3.49Å; T24-K28 PolarHBondContact OG1-O 3.48Å; T24-V30 HydrophobicContact CG2-CB 4.25Å; T24-V30 HydrophobicContact CG2-CG2 3.88Å | ||
| 25 | P | 97.3 | Very high | 95 | Very high | 145 Ų | 145 | 82.4 Ų | 82.4 | 94% | 0.942 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.5 | 176.2 | -29.1 | 36.2 | 0 | 0 | 0 | 113.9 | G27 | P25-G27 PolarHBondContact O-N 3.47Š|
| 26 | G | 94.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 82.8 Ų | 82.8 | 70% | 0.701 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 20.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T24 K28 | T24-G26 PolarHBondContact O-N 3.38Å; T24-G26 VanDerWaalsContact O-N 3.16Å; G26-K28 PolarHBondContact O-N 2.88Å |
| 27 | G | 91.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 91.4 Ų | 91.4 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 76.4 | -12 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | T24 P25 | T24-G27 PolarHBondContact O-N 3.34Å; P25-G27 PolarHBondContact O-N 3.47Å |
| 28 | K | 93 | Very high | 95 | Very high | 153 Ų | 153 | 92.6 Ų | 92.6 | 67% | 0.665 | 47% | 0.472 | S | S | * | . | trans | -75.9 | 136.1 | 178.3 | -61.1 | 179.7 | -177.3 | 177.7 | 0 | 111.3 | T24 G26 V30 | T24-K28 PolarHBondContact N-O 3.29Å; T24-K28 PolarHBondContact OG1-N 3.49Å; T24-K28 PolarHBondContact OG1-O 3.48Å; G26-K28 PolarHBondContact O-N 2.88Å; K28-V30 HydrophobicContact CB-CG2 4.31Å | ||
| 29 | V | 94.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 92.8 Ų | 92.8 | 19% | 0.194 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129.1 | 167.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | L4 K21 K23 | L4-V29 HydrophobicContact CD1-CG1 3.91Å; L4-V29 HydrophobicContact CD2-CB 4.15Å; L4-V29 HydrophobicContact CD2-CG1 4.13Å; L4-V29 WeakPolarHBondContact CD2-O 3.35Å; K21-V29 HydrophobicContact CB-CG1 4.19Å; K23-V29 HydrophobicContact CG-CG2 3.95Å |
| 30 | V | 95.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 94.4 Ų | 94.4 | 24% | 0.236 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 153.1 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | V22 T24 K28 | V22-V30 PolarHBondContact N-O 2.85Å; V22-V30 PolarHBondContact O-N 3.28Å; T24-V30 HydrophobicContact CG2-CB 4.25Å; T24-V30 HydrophobicContact CG2-CG2 3.88Å; K28-V30 HydrophobicContact CB-CG2 4.31Å |
| 31 | Y | 95.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 89 Ų | 89 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.4 | 167.7 | -74.4 | -52.1 | 0 | 0 | 0 | 112.1 | L4 T5 L6 R19 K21 | L4-Y31 HydrophobicContact CB-CD2 3.83Å; L4-Y31 HydrophobicContact CB-CE2 3.31Å; L4-Y31 HydrophobicContact CD1-CD1 3.95Å; L4-Y31 HydrophobicContact CD1-CD2 4.19Å; L4-Y31 HydrophobicContact CD1-CE1 3.71Å; L4-Y31 HydrophobicContact CD1-CE2 3.96Å; L4-Y31 HydrophobicContact CD1-CG 4.17Å; L4-Y31 HydrophobicContact CG-CE2 4.29Å; T5-Y31 WeakPolarHBondContact O-CD2 3.34Å; L6-Y31 HydrophobicContact CD2-CD2 4.47Å; R19-Y31 HydrophobicContact CB-CD1 3.75Å; R19-Y31 HydrophobicContact CB-CE1 4.29Å; R19-Y31 HydrophobicContact CB-CG 4.23Å; R19-Y31 HydrophobicContact CG-CD1 4.43Å; R19-Y31 HydrophobicContact CG-CG 4.44Å; K21-Y31 HydrophobicContact CD-CE1 4.31Å; K21-Y31 HydrophobicContact CG-CD1 3.98Å; K21-Y31 HydrophobicContact CG-CE1 3.56Å |
| 32 | I | 95.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 90.8 Ų | 90.8 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.3 | 163.4 | -61.1 | -173.7 | 0 | 0 | 0 | 108.6 | R19 K20 V22 | R19-I32 CarbonylContact C-O 3.49Å; R19-I32 WeakPolarHBondContact CA-O 3.22Å; K20-I32 PolarHBondContact N-O 3.26Å; K20-I32 PolarHBondContact O-N 2.99Å; V22-I32 HydrophobicContact CB-CD1 3.85Å; V22-I32 HydrophobicContact CB-CG1 4.18Å; V22-I32 HydrophobicContact CG1-CD1 4.02Å; V22-I32 HydrophobicContact CG2-CB 4.41Å; V22-I32 HydrophobicContact CG2-CD1 3.83Å; V22-I32 HydrophobicContact CG2-CG1 4.14Å |
| 33 | Y | 96.2 | Very high | 94.8 | Very high | 37 Ų | 37 | 88.8 Ų | 88.8 | 15% | 0.145 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 128 | 179.4 | -67.6 | -81.5 | 0 | 0 | 0 | 111.4 | L6 R7 R8 N17 R19 | L6-Y33 HydrophobicContact CD2-CE1 4.47Å; R7-Y33 HydrophobicContact CB-CE2 4.05Å; R7-Y33 PolarHBondContact N-OH 3.27Å; R8-Y33 HydrophobicContact CB-CE1 4.34Å; R8-Y33 HydrophobicContact CB-CE2 4.42Å; R8-Y33 WeakPolarHBondContact CB-OH 3.45Å; R8-Y33 HydrophobicContact CG-CD2 4.28Å; R8-Y33 HydrophobicContact CG-CE1 4.08Å; R8-Y33 HydrophobicContact CG-CE2 3.64Å; R8-Y33 VanDerWaalsContact CZ-CG 3.42Å; R8-Y33 PolarHBondContact N-OH 3.29Å; N17-Y33 WeakPolarHBondContact OD1-CE1 3Å; R19-Y33 HydrophobicContact CG-CD1 3.67Å; R19-Y33 HydrophobicContact CG-CE1 3.62Å |
| 34 | V | 95.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 83.1 Ų | 83.1 | 42% | 0.424 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 128.8 | -178.7 | -176 | 0 | 0 | 0 | 0 | 108.9 | K18 K20 | K18-V34 PolarHBondContact O-N 3.07Å; K20-V34 HydrophobicContact CB-CG2 3.88Å |
| 35 | K | 94.8 | Very high | 94.7 | Very high | 145 Ų | 145 | 84.2 Ų | 84.2 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 151.4 | 173.2 | -63 | 178.3 | -178.9 | 172.4 | 0 | 110.1 | R37 E60 | K35-R37 PolarHBondContact O-N 3.13Å; K35-E60 IonicContact NZ-OE1 3.23Å; K35-E60 PolarHBondContact NZ-OE1 2.92Å |
| 36 | K | 96 | Very high | 94.6 | Very high | 119 Ų | 119 | 80.3 Ų | 80.3 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61 | 137.2 | 172.6 | -42 | 178 | 175.8 | 177.1 | 0 | 109.5 | R57 | K36-R57 VanDerWaalsContact N-NH1 3.14Å; K36-R57 WeakPolarHBondContact O-CD 3.29Å; K36-R57 PolarHBondContact O-NH1 2.91Å |
| 37 | R | 94 | Very high | 94.6 | Very high | 237 Ų | 237 | 84.7 Ų | 84.7 | 89% | 0.894 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -60 | 141.9 | 179.2 | -64.8 | -176.9 | 177.1 | -179.6 | -1.1 | 110.6 | K35 | K35-R37 PolarHBondContact O-N 3.13Š|
| 38 | G | 93.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 84.6 Ų | 84.6 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 39 | T | 93 | Very high | 94.8 | Very high | 117 Ų | 117 | 81.9 Ų | 81.9 | 72% | 0.718 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -81.4 | 148.5 | 176 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 40 | F | 93.1 | Very high | 94.9 | Very high | 102 Ų | 102 | 80.7 Ų | 80.7 | 45% | 0.447 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.1 | 170.8 | -71.7 | -78.2 | 0 | 0 | 0 | 110 | K49 P55 | F40-K49 HydrophobicContact CB-CD 4.48Å; F40-K49 HydrophobicContact CB-CG 4.24Å; F40-K49 HydrophobicContact CD1-CD 4.09Å; F40-K49 HydrophobicContact CD1-CG 4.38Å; F40-K49 HydrophobicContact CE1-CD 4.48Å; F40-K49 VanDerWaalsContact CE1-CE 3.45Å; F40-K49 HydrophobicContact CG-CD 4.14Å; F40-K49 HydrophobicContact CG-CG 4.39Å; F40-P55 HydrophobicContact CD1-CB 3.86Å; F40-P55 HydrophobicContact CD1-CG 3.96Å; F40-P55 HydrophobicContact CE1-CB 3.98Å; F40-P55 HydrophobicContact CE1-CG 3.57Å; F40-P55 HydrophobicContact CG-CB 4.29Å; F40-P55 HydrophobicContact CZ-CB 4.49Å; F40-P55 HydrophobicContact CZ-CG 4.06Å |
| 41 | P | 94.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 86.2 Ų | 86.2 | 14% | 0.136 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 135.3 | 172.6 | 28.5 | -31.3 | 0 | 0 | 0 | 109.8 | L50 I53 | P41-L50 HydrophobicContact CB-CD1 4.39Å; P41-L50 HydrophobicContact CG-CB 4.36Å; P41-L50 PolarHBondContact O-N 3.31Å; P41-I53 HydrophobicContact CB-CD1 4.39Å; P41-I53 HydrophobicContact CG-CB 3.63Å; P41-I53 HydrophobicContact CG-CD1 3.91Å; P41-I53 HydrophobicContact CG-CG1 4.39Å; P41-I53 HydrophobicContact CG-CG2 3.58Å |
| 42 | K | 95.7 | Very high | 94.7 | Very high | 148 Ų | 148 | 87.6 Ų | 87.6 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -107.2 | 153 | -178.3 | -62.9 | -177.8 | -179.2 | -176 | 0 | 110.5 | S48 | K42-S48 CarbonylContact C-O 3.53Å; K42-S48 VanDerWaalsContact CA-O 3.27Å; K42-S48 WeakPolarHBondContact CA-O 3.42Å |
| 43 | C | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.02 | 44% | 0.435 | C | S | . | . | trans | -64.6 | 138.3 | 171.5 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | D45 C46 K47 S48 L50 S78 C80 | C43-D45 VanDerWaalsContact C-N 3.3Å; C43-D45 PolarHBondContact O-N 3.47Å; C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 PolarHBondContact SG-SG 3.41Å; C43-K47 WeakPolarHBondContact O-CA 3.48Å; C43-K47 PolarHBondContact O-N 2.92Å; C43-K47 VanDerWaalsContact O-N 3.12Å; C43-S48 PolarHBondContact N-O 3.19Å; C43-L50 HydrophobicContact CB-CD2 3.96Å; C43-S78 WeakPolarHBondContact CA-O 3.35Å; C43-C80 HydrophobicContact CB-CB 4.32Å; C43-C80 PolarHBondContact SG-N 2.87Å; C43-C80 VanDerWaalsContact SG-SG 3.69Å | ||
| 44 | G | 94.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 87.7 Ų | 87.7 | 54% | 0.536 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S78 | G44-S78 PolarHBondContact N-O 3.09Š|
| 45 | D | 94.6 | Very high | 94.6 | Very high | 77 Ų | 77 | 86.7 Ų | 86.7 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -70.7 | -179.5 | -64.3 | -49.1 | 0 | 0 | 0 | 111.1 | C43 K47 R79 C83 R87 | C43-D45 VanDerWaalsContact C-N 3.3Å; C43-D45 PolarHBondContact O-N 3.47Å; D45-K47 VanDerWaalsContact C-N 3.34Å; D45-K47 PolarHBondContact O-N 3.28Å; D45-R79 IonicContact OD1-CZ 3.86Å; D45-R79 IonicContact OD1-NH1 2.63Å; D45-R79 PolarHBondContact OD1-NH1 2.89Å; D45-R79 WeakPolarHBondContact OD2-CD 3.45Å; D45-R79 IonicContact OD2-CZ 3.7Å; D45-R79 IonicContact OD2-NE 3.96Å; D45-R79 IonicContact OD2-NH1 2.76Å; D45-R79 PolarHBondContact OD2-NH1 3.4Å; D45-C83 HydrophobicContact CB-CB 4.49Å; D45-R87 IonicContact OD1-NH2 3.38Å; D45-R87 PolarHBondContact OD1-NH2 3.42Å; D45-R87 IonicContact OD2-CZ 3.77Å; D45-R87 IonicContact OD2-NE 3.5Å; D45-R87 IonicContact OD2-NH2 3.17Å; D45-R87 PolarHBondContact OD2-NH2 3.01Å; D45-R87 VanDerWaalsContact OD2-NH2 3.17Å |
| 46 | C | 94.7 | Very high | 94.6 | Very high | 64 Ų | 64 | 80.4 Ų | 80.4 | 43% | 0.432 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.3 | -172.8 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | C43 S48 C80 | C43-C46 VanDerWaalsContact CB-SG 3.51Å; C43-C46 PolarHBondContact SG-SG 3.41Å; C46-S48 PolarHBondContact O-N 2.95Å; C46-S48 PolarHBondContact SG-OG 3.5Å; C46-C80 PolarHBondContact SG-SG 3Å |
| 47 | K | 94.3 | Very high | 94.5 | Very high | 159 Ų | 159 | 78.7 Ų | 78.7 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | trans | 58.6 | 12.2 | -177.8 | -56.3 | 173.6 | -176.6 | 172.6 | 0 | 114.9 | C43 D45 | C43-K47 WeakPolarHBondContact O-CA 3.48Å; C43-K47 PolarHBondContact O-N 2.92Å; C43-K47 VanDerWaalsContact O-N 3.12Å; D45-K47 VanDerWaalsContact C-N 3.34Å; D45-K47 PolarHBondContact O-N 3.28Å | ||
| 48 | S | 94.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 72.7 Ų | 72.7 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 157.8 | 174.5 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | K42 C43 C46 L50 | K42-S48 CarbonylContact C-O 3.53Å; K42-S48 VanDerWaalsContact CA-O 3.27Å; K42-S48 WeakPolarHBondContact CA-O 3.42Å; C43-S48 PolarHBondContact N-O 3.19Å; C46-S48 PolarHBondContact O-N 2.95Å; C46-S48 PolarHBondContact SG-OG 3.5Å; S48-L50 PolarHBondContact O-N 2.94Å |
| 49 | K | 95 | Very high | 94.6 | Very high | 97 Ų | 97 | 82.3 Ų | 82.3 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 130.4 | 177 | 175.8 | 176.4 | 168.4 | 179.4 | 0 | 110.5 | F40 | F40-K49 HydrophobicContact CB-CD 4.48Å; F40-K49 HydrophobicContact CB-CG 4.24Å; F40-K49 HydrophobicContact CD1-CD 4.09Å; F40-K49 HydrophobicContact CD1-CG 4.38Å; F40-K49 HydrophobicContact CE1-CD 4.48Å; F40-K49 VanDerWaalsContact CE1-CE 3.45Å; F40-K49 HydrophobicContact CG-CD 4.14Å; F40-K49 HydrophobicContact CG-CG 4.39Å |
| 50 | L | 95.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 80.3 Ų | 80.3 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 119.9 | 173.4 | -65.3 | 177.5 | 0 | 0 | 0 | 110.6 | P41 C43 S48 I53 G77 C80 | P41-L50 HydrophobicContact CB-CD1 4.39Å; P41-L50 HydrophobicContact CG-CB 4.36Å; P41-L50 PolarHBondContact O-N 3.31Å; C43-L50 HydrophobicContact CB-CD2 3.96Å; S48-L50 PolarHBondContact O-N 2.94Å; L50-I53 HydrophobicContact CB-CD1 3.67Å; L50-I53 HydrophobicContact CB-CG1 4.48Å; L50-I53 HydrophobicContact CD1-CD1 3.81Å; L50-I53 HydrophobicContact CG-CD1 4.4Å; L50-G77 WeakPolarHBondContact CD1-O 3.3Å; L50-C80 HydrophobicContact CD2-CB 4.16Å |
| 51 | F | 93.5 | Very high | 94.7 | Very high | 156 Ų | 156 | 79.2 Ų | 79.2 | 68% | 0.684 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 152.4 | 175.5 | -59.1 | -76.4 | 0 | 0 | 0 | 111.6 | I53 V71 | F51-I53 VanDerWaalsContact C-N 3.28Å; F51-I53 PolarHBondContact O-N 3.38Å; F51-V71 WeakPolarHBondContact O-CG2 3.36Å |
| 52 | G | 93.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 83.7 Ų | 83.7 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -3.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 53 | I | 95.2 | Very high | 94.7 | Very high | 11 Ų | 11 | 81.8 Ų | 81.8 | 6% | 0.056 | 44% | 0.44 | C | S | . | . | trans | -108.9 | 128 | 179.7 | -49.3 | 170.1 | 0 | 0 | 0 | 110.4 | P41 L50 F51 L68 K69 V71 | P41-I53 HydrophobicContact CB-CD1 4.39Å; P41-I53 HydrophobicContact CG-CB 3.63Å; P41-I53 HydrophobicContact CG-CD1 3.91Å; P41-I53 HydrophobicContact CG-CG1 4.39Å; P41-I53 HydrophobicContact CG-CG2 3.58Å; L50-I53 HydrophobicContact CB-CD1 3.67Å; L50-I53 HydrophobicContact CB-CG1 4.48Å; L50-I53 HydrophobicContact CD1-CD1 3.81Å; L50-I53 HydrophobicContact CG-CD1 4.4Å; F51-I53 VanDerWaalsContact C-N 3.28Å; F51-I53 PolarHBondContact O-N 3.38Å; I53-L68 WeakPolarHBondContact CG2-O 3.26Å; I53-K69 WeakPolarHBondContact CG2-O 3.46Å; I53-V71 HydrophobicContact CG1-CG2 4.18Å | ||
| 54 | K | 95 | Very high | 94.7 | Very high | 116 Ų | 116 | 83.2 Ų | 83.2 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | trans | -73.5 | 126.7 | -178.7 | -169 | 172.3 | -177.7 | 175.5 | 0 | 111.2 | M64 L68 | K54-M64 HydrophobicContact CB-SD 4.37Å; K54-M64 HydrophobicContact CD-SD 4.02Å; K54-M64 HydrophobicContact CG-SD 4.38Å; K54-L68 HydrophobicContact CB-CB 4.36Å; K54-L68 HydrophobicContact CD-CD1 4.36Å; K54-L68 PolarHBondContact N-O 2.83Å | ||
| 55 | P | 95.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 84 Ų | 84 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | trans | -66.8 | 136.2 | 173 | 29.9 | -35.7 | 0 | 0 | 0 | 109.8 | F40 | F40-P55 HydrophobicContact CD1-CB 3.86Å; F40-P55 HydrophobicContact CD1-CG 3.96Å; F40-P55 HydrophobicContact CE1-CB 3.98Å; F40-P55 HydrophobicContact CE1-CG 3.57Å; F40-P55 HydrophobicContact CG-CB 4.29Å; F40-P55 HydrophobicContact CZ-CB 4.49Å; F40-P55 HydrophobicContact CZ-CG 4.06Å | ||
| 56 | S | 94.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 88.4 Ų | 88.4 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -153.8 | 158.4 | -174.4 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | M64 | S56-M64 VanDerWaalsContact CB-CE 3.49Å; S56-M64 WeakPolarHBondContact OG-CE 3.35Å |
| 57 | R | 95 | Very high | 94.8 | Very high | 83 Ų | 83 | 95.7 Ų | 95.7 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | trans | -73.7 | 151.9 | 167.1 | -63.1 | 175.6 | 63.8 | 87.9 | 3.1 | 109.5 | K36 R59 E60 R61 | K36-R57 VanDerWaalsContact N-NH1 3.14Å; K36-R57 WeakPolarHBondContact O-CD 3.29Å; K36-R57 PolarHBondContact O-NH1 2.91Å; R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.89Å; R57-R59 VanDerWaalsContact O-N 3.16Å; R57-E60 HydrophobicContact CB-CB 4.42Å; R57-E60 HydrophobicContact CB-CG 4.37Å; R57-E60 PolarHBondContact O-N 3.29Å; R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 PolarHBondContact O-N 3.48Å | ||
| 58 | P | 94.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 91.1 Ų | 91.1 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -50.6 | -44.1 | -179.8 | -29.2 | 35.4 | 0 | 0 | 0 | 113.9 | R61 T62 | P58-R61 WeakPolarHBondContact O-CB 3.31Å; P58-R61 PolarHBondContact O-N 3.46Å; P58-T62 PolarHBondContact O-N 3.45Å; P58-T62 PolarHBondContact O-OG1 2.94Å |
| 59 | R | 94.6 | Very high | 94.9 | Very high | 227 Ų | 227 | 91 Ų | 91 | 86% | 0.857 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 176.9 | -170.5 | 176.3 | -176.5 | -158.6 | 0.2 | 113.5 | R57 R61 | R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.89Å; R57-R59 VanDerWaalsContact O-N 3.16Å; R59-R61 VanDerWaalsContact C-N 3.3Å |
| 60 | E | 94.8 | Very high | 94.9 | Very high | 75 Ų | 75 | 88.7 Ų | 88.7 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70 | -33.2 | 177.8 | -69 | 166.8 | -179.4 | 0 | 0 | 110.5 | K35 R57 T62 S63 M64 | K35-E60 IonicContact NZ-OE1 3.23Å; K35-E60 PolarHBondContact NZ-OE1 2.92Å; R57-E60 HydrophobicContact CB-CB 4.42Å; R57-E60 HydrophobicContact CB-CG 4.37Å; R57-E60 PolarHBondContact O-N 3.29Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 3.42Å; E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 VanDerWaalsContact O-N 3.16Å; E60-M64 WeakPolarHBondContact O-CG 3.39Å; E60-M64 PolarHBondContact O-N 3.45Å |
| 61 | R | 94.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 90.7 Ų | 90.7 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -34.1 | 178.6 | -166.3 | 178.3 | -178.5 | 87.3 | 1.8 | 112.6 | R57 P58 R59 S63 M64 K69 | R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 PolarHBondContact O-N 3.48Å; P58-R61 WeakPolarHBondContact O-CB 3.31Å; P58-R61 PolarHBondContact O-N 3.46Å; R59-R61 VanDerWaalsContact C-N 3.3Å; R61-S63 VanDerWaalsContact C-N 3.35Å; R61-M64 HydrophobicContact CB-CE 4.47Å; R61-M64 HydrophobicContact CG-CE 4.24Å; R61-K69 WeakPolarHBondContact O-CE 3.48Å; R61-K69 PolarHBondContact O-NZ 3.47Å |
| 62 | T | 94.4 | Very high | 95 | Very high | 115 Ų | 115 | 91.1 Ų | 91.1 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 175.3 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | P58 E60 K69 | P58-T62 PolarHBondContact O-N 3.45Å; P58-T62 PolarHBondContact O-OG1 2.94Å; E60-T62 VanDerWaalsContact C-N 3.29Å; E60-T62 PolarHBondContact O-N 3.42Å; T62-K69 PolarHBondContact O-NZ 3.46Å |
| 63 | S | 95.8 | Very high | 95 | Very high | 109 Ų | 109 | 91.6 Ų | 91.6 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -76.5 | -24.5 | -176.7 | 171.8 | 0 | 0 | 0 | 0 | 115.1 | E60 R61 | E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 VanDerWaalsContact O-N 3.16Å; R61-S63 VanDerWaalsContact C-N 3.35Å |
| 64 | M | 95.4 | Very high | 95 | Very high | 33 Ų | 33 | 95 Ų | 95 | 16% | 0.163 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -62.8 | 156.5 | -179.4 | -67.7 | -165.9 | -57.2 | 0 | 0 | 113.1 | K54 S56 E60 R61 L68 K69 | K54-M64 HydrophobicContact CB-SD 4.37Å; K54-M64 HydrophobicContact CD-SD 4.02Å; K54-M64 HydrophobicContact CG-SD 4.38Å; S56-M64 VanDerWaalsContact CB-CE 3.49Å; S56-M64 WeakPolarHBondContact OG-CE 3.35Å; E60-M64 WeakPolarHBondContact O-CG 3.39Å; E60-M64 PolarHBondContact O-N 3.45Å; R61-M64 HydrophobicContact CB-CE 4.47Å; R61-M64 HydrophobicContact CG-CE 4.24Å; M64-L68 HydrophobicContact CB-CD1 4.37Å; M64-L68 HydrophobicContact SD-CB 4.46Å; M64-L68 HydrophobicContact SD-CD1 4.28Å; M64-K69 HydrophobicContact CE-CG 4.46Å; M64-K69 WeakPolarHBondContact O-CE 3.45Å; M64-K69 PolarHBondContact O-NZ 3.09Å |
| 65 | S | 96.4 | Very high | 95 | Very high | 69 Ų | 69 | 96.2 Ų | 96.2 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | trans | -68 | 156.6 | 172.3 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | R67 L68 | S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 3.04Å; S65-L68 PolarHBondContact O-N 3.48Å | ||
| 66 | K | 94.3 | Very high | 95 | Very high | 168 Ų | 168 | 94.9 Ų | 94.9 | 73% | 0.73 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -59.4 | -41 | -178 | -172.5 | 176.4 | 178.4 | -179.9 | 0 | 112.5 | L68 K69 T70 | K66-L68 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact O-N 3.09Å; K66-K69 PolarHBondContact O-N 2.89Å; K66-T70 PolarHBondContact O-N 3.3Å; K66-T70 PolarHBondContact O-OG1 2.89Å |
| 67 | R | 95.2 | Very high | 94.9 | Very high | 217 Ų | 217 | 95.4 Ų | 95.4 | 82% | 0.819 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -52.8 | -33 | 178.7 | -173.9 | -173.2 | -69.2 | -175.4 | -1 | 113 | S65 | S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 3.04Å |
| 68 | L | 95.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 94.1 Ų | 94.1 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -82.6 | -15.4 | -179.4 | -62 | 175.6 | 0 | 0 | 0 | 113.8 | I53 K54 M64 S65 K66 | I53-L68 WeakPolarHBondContact CG2-O 3.26Å; K54-L68 HydrophobicContact CB-CB 4.36Å; K54-L68 HydrophobicContact CD-CD1 4.36Å; K54-L68 PolarHBondContact N-O 2.83Å; M64-L68 HydrophobicContact CB-CD1 4.37Å; M64-L68 HydrophobicContact SD-CB 4.46Å; M64-L68 HydrophobicContact SD-CD1 4.28Å; S65-L68 PolarHBondContact O-N 3.48Å; K66-L68 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact O-N 3.09Å |
| 69 | K | 94.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 91.3 Ų | 91.3 | 21% | 0.213 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -25.6 | -175.5 | -59.4 | -179.7 | -153.5 | -176.3 | 0 | 112.8 | I53 R61 T62 M64 K66 | I53-K69 WeakPolarHBondContact CG2-O 3.46Å; R61-K69 WeakPolarHBondContact O-CE 3.48Å; R61-K69 PolarHBondContact O-NZ 3.47Å; T62-K69 PolarHBondContact O-NZ 3.46Å; M64-K69 HydrophobicContact CE-CG 4.46Å; M64-K69 WeakPolarHBondContact O-CE 3.45Å; M64-K69 PolarHBondContact O-NZ 3.09Å; K66-K69 PolarHBondContact O-N 2.89Å |
| 70 | T | 95.4 | Very high | 95 | Very high | 48 Ų | 48 | 80.9 Ų | 80.9 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | trans | -132 | 166.8 | -170 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | K66 | K66-T70 PolarHBondContact O-N 3.3Å; K66-T70 PolarHBondContact O-OG1 2.89Å | ||
| 71 | V | 95 | Very high | 95 | Very high | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | trans | -121.4 | 142.3 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 108 | F51 I53 R73 | F51-V71 WeakPolarHBondContact O-CG2 3.36Å; I53-V71 HydrophobicContact CG1-CG2 4.18Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 HydrophobicContact CG1-CG 4.21Å; V71-R73 PolarHBondContact O-N 3.11Å | ||
| 72 | N | 95.5 | Very high | 95.1 | Very high | 165 Ų | 165 | 82.4 Ų | 82.4 | 88% | 0.882 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -79 | 70.3 | -175.6 | -64.5 | -10.6 | 0 | 0 | 0 | 112.2 | ||
| 73 | R | 94 | Very high | 95.2 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -156 | 167.1 | 172.4 | 66.9 | 180 | 172 | 93.1 | 3.1 | 110.7 | V71 Y75 G76 R79 C80 H81 | V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 HydrophobicContact CG1-CG 4.21Å; V71-R73 PolarHBondContact O-N 3.11Å; R73-Y75 PolarHBondContact O-N 2.92Å; R73-G76 PolarHBondContact O-N 3Å; R73-R79 PolarHBondContact NH1-O 3.44Å; R73-R79 PolarHBondContact NH2-O 3.19Å; R73-C80 VanDerWaalsContact NH1-C 3.3Å; R73-C80 PolarHBondContact NH1-O 2.87Å; R73-C80 VanDerWaalsContact NH1-O 3.11Å; R73-C80 VanDerWaalsContact NH2-CA 3.34Å; R73-H81 VanDerWaalsContact NH1-CA 3.31Å; R73-H81 VanDerWaalsContact NH2-N 3.18Å |
| 74 | P | 95.5 | Very high | 95.2 | Very high | 84 Ų | 84 | 72.9 Ų | 72.9 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.8 | 174.3 | -25.8 | 35.4 | 0 | 0 | 0 | 111.7 | G76 V84 | P74-G76 PolarHBondContact O-N 3.01Å; P74-V84 HydrophobicContact CB-CG1 4.39Å; P74-V84 WeakPolarHBondContact O-CG2 3.44Å |
| 75 | Y | 95.7 | Very high | 95.3 | Very high | 140 Ų | 140 | 79.5 Ų | 79.5 | 55% | 0.549 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 25.1 | -175.1 | -54.8 | -86.7 | 0 | 0 | 0 | 115 | R73 S78 R79 V84 | R73-Y75 PolarHBondContact O-N 2.92Å; Y75-S78 PolarHBondContact O-N 3.23Å; Y75-R79 HydrophobicContact CG-CG 4.31Å; Y75-R79 PolarHBondContact O-N 3.18Å; Y75-V84 HydrophobicContact CD2-CG2 4.37Å |
| 76 | G | 93.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 79.5 Ų | 79.5 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 137.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R73 P74 S78 | R73-G76 PolarHBondContact O-N 3Å; P74-G76 PolarHBondContact O-N 3.01Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.14Å |
| 77 | G | 92.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 75.3 Ų | 75.3 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -19.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L50 | L50-G77 WeakPolarHBondContact CD1-O 3.3Š|
| 78 | S | 94.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 70 Ų | 70 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -40.3 | -176.8 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | C43 G44 Y75 G76 | C43-S78 WeakPolarHBondContact CA-O 3.35Å; G44-S78 PolarHBondContact N-O 3.09Å; Y75-S78 PolarHBondContact O-N 3.23Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.14Å |
| 79 | R | 96 | Very high | 95.7 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -121.7 | 149.6 | -173.6 | -52.5 | -60 | 175.2 | 150.4 | -0.7 | 111.1 | D45 R73 Y75 V84 | D45-R79 IonicContact OD1-CZ 3.86Å; D45-R79 IonicContact OD1-NH1 2.63Å; D45-R79 PolarHBondContact OD1-NH1 2.89Å; D45-R79 WeakPolarHBondContact OD2-CD 3.45Å; D45-R79 IonicContact OD2-CZ 3.7Å; D45-R79 IonicContact OD2-NE 3.96Å; D45-R79 IonicContact OD2-NH1 2.76Å; D45-R79 PolarHBondContact OD2-NH1 3.4Å; R73-R79 PolarHBondContact NH1-O 3.44Å; R73-R79 PolarHBondContact NH2-O 3.19Å; Y75-R79 HydrophobicContact CG-CG 4.31Å; Y75-R79 PolarHBondContact O-N 3.18Å; R79-V84 HydrophobicContact CB-CG2 3.73Å |
| 80 | C | 95.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | trans | -77.9 | 168.8 | 171.6 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | C43 C46 L50 R73 T82 C83 V84 | C43-C80 HydrophobicContact CB-CB 4.32Å; C43-C80 PolarHBondContact SG-N 2.87Å; C43-C80 VanDerWaalsContact SG-SG 3.69Å; C46-C80 PolarHBondContact SG-SG 3Å; L50-C80 HydrophobicContact CD2-CB 4.16Å; R73-C80 VanDerWaalsContact NH1-C 3.3Å; R73-C80 PolarHBondContact NH1-O 2.87Å; R73-C80 VanDerWaalsContact NH1-O 3.11Å; R73-C80 VanDerWaalsContact NH2-CA 3.34Å; C80-T82 PolarHBondContact SG-OG1 3.33Å; C80-C83 PolarHBondContact O-N 3.48Å; C80-C83 PolarHBondContact SG-N 3.46Å; C80-C83 PolarHBondContact SG-SG 2.98Å; C80-V84 WeakPolarHBondContact O-CG2 3.43Å; C80-V84 PolarHBondContact O-N 2.97Å; C80-V84 VanDerWaalsContact O-N 3.08Å | ||
| 81 | H | 95 | Very high | 96 | Very high | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67 | -37.7 | -176.7 | 63.2 | -86 | 0 | 0 | 0 | 111.8 | R73 V84 R85 | R73-H81 VanDerWaalsContact NH1-CA 3.31Å; R73-H81 VanDerWaalsContact NH2-N 3.18Å; H81-V84 PolarHBondContact O-N 3.37Å; H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.04Å |
| 82 | T | 96.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 79.8 Ų | 79.8 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | C80 V84 R85 N86 | C80-T82 PolarHBondContact SG-OG1 3.33Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.42Å; T82-R85 PolarHBondContact O-N 3.35Å; T82-N86 PolarHBondContact O-N 3.03Å; T82-N86 PolarHBondContact O-ND2 3.16Å; T82-N86 PolarHBondContact O-OD1 2.97Å |
| 83 | C | 96.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 76.6 Ų | 76.6 | 10% | 0.095 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.2 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | D45 C80 N86 R87 | D45-C83 HydrophobicContact CB-CB 4.49Å; C80-C83 PolarHBondContact O-N 3.48Å; C80-C83 PolarHBondContact SG-N 3.46Å; C80-C83 PolarHBondContact SG-SG 2.98Å; C83-N86 PolarHBondContact O-N 3.06Å; C83-R87 VanDerWaalsContact O-CG 3.29Å; C83-R87 WeakPolarHBondContact O-CG 3.5Å; C83-R87 PolarHBondContact O-N 3.41Å |
| 84 | V | 97 | Very high | 96.4 | Very high | 9 Ų | 9 | 78.8 Ų | 78.8 | 6% | 0.055 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | P74 Y75 R79 C80 H81 T82 N86 R87 I88 | P74-V84 HydrophobicContact CB-CG1 4.39Å; P74-V84 WeakPolarHBondContact O-CG2 3.44Å; Y75-V84 HydrophobicContact CD2-CG2 4.37Å; R79-V84 HydrophobicContact CB-CG2 3.73Å; C80-V84 WeakPolarHBondContact O-CG2 3.43Å; C80-V84 PolarHBondContact O-N 2.97Å; C80-V84 VanDerWaalsContact O-N 3.08Å; H81-V84 PolarHBondContact O-N 3.37Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.42Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.33Å; V84-R87 WeakPolarHBondContact O-CB 3.47Å; V84-R87 PolarHBondContact O-N 3.08Å; V84-R87 VanDerWaalsContact O-N 3.13Å; V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.24Å |
| 85 | R | 96.9 | Very high | 96.5 | Very high | 172 Ų | 172 | 79.8 Ų | 79.8 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.2 | -49.3 | 173 | -179.4 | -179.1 | 180 | -173.7 | 0.5 | 111.4 | H81 T82 R87 I88 I89 | H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.04Å; T82-R85 PolarHBondContact O-N 3.35Å; R85-R87 PolarHBondContact O-N 3.1Å; R85-I88 PolarHBondContact O-N 2.96Å; R85-I89 HydrophobicContact CG-CD1 3.75Å; R85-I89 HydrophobicContact CG-CG1 4.45Å; R85-I89 WeakPolarHBondContact O-CG1 3.4Å; R85-I89 PolarHBondContact O-N 2.9Å |
| 86 | N | 97 | Very high | 96.6 | Very high | 70 Ų | 70 | 78 Ų | 78 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -26.9 | -179.7 | -66.3 | -11.3 | 0 | 0 | 0 | 113 | T82 C83 V84 R90 | T82-N86 PolarHBondContact O-N 3.03Å; T82-N86 PolarHBondContact O-ND2 3.16Å; T82-N86 PolarHBondContact O-OD1 2.97Å; C83-N86 PolarHBondContact O-N 3.06Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.33Å; N86-R90 WeakPolarHBondContact O-CB 3.45Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.33Å; N86-R90 VanDerWaalsContact O-N 3.14Å; N86-R90 PolarHBondContact O-NE 2.9Å; N86-R90 VanDerWaalsContact O-NE 3.13Å |
| 87 | R | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 81.2 Ų | 81.2 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72 | -44.6 | 173.4 | -77 | 167.9 | 179.9 | -106 | -16.8 | 111.3 | D45 C83 V84 R85 R90 A91 | D45-R87 IonicContact OD1-NH2 3.38Å; D45-R87 PolarHBondContact OD1-NH2 3.42Å; D45-R87 IonicContact OD2-CZ 3.77Å; D45-R87 IonicContact OD2-NE 3.5Å; D45-R87 IonicContact OD2-NH2 3.17Å; D45-R87 PolarHBondContact OD2-NH2 3.01Å; D45-R87 VanDerWaalsContact OD2-NH2 3.17Å; C83-R87 VanDerWaalsContact O-CG 3.29Å; C83-R87 WeakPolarHBondContact O-CG 3.5Å; C83-R87 PolarHBondContact O-N 3.41Å; V84-R87 WeakPolarHBondContact O-CB 3.47Å; V84-R87 PolarHBondContact O-N 3.08Å; V84-R87 VanDerWaalsContact O-N 3.13Å; R85-R87 PolarHBondContact O-N 3.1Å; R87-R90 PolarHBondContact O-N 3.18Å; R87-A91 VanDerWaalsContact O-CB 3.3Å; R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.5Å |
| 88 | I | 97.5 | Very high | 97 | Very high | 105 Ų | 105 | 85.3 Ų | 85.3 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -51.3 | 179.1 | -64.9 | 164.9 | 0 | 0 | 0 | 109.9 | V84 R85 R90 A91 F92 | V84-I88 HydrophobicContact CG1-CD1 3.94Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.24Å; R85-I88 PolarHBondContact O-N 2.96Å; I88-R90 PolarHBondContact O-N 2.97Å; I88-A91 PolarHBondContact O-N 3.42Å; I88-F92 WeakPolarHBondContact O-CB 3.39Å; I88-F92 PolarHBondContact O-N 2.97Å |
| 89 | I | 97.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 86 Ų | 86 | 35% | 0.354 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 179.8 | -64.5 | 172.1 | 0 | 0 | 0 | 110.8 | R85 F92 M93 | R85-I89 HydrophobicContact CG-CD1 3.75Å; R85-I89 HydrophobicContact CG-CG1 4.45Å; R85-I89 WeakPolarHBondContact O-CG1 3.4Å; R85-I89 PolarHBondContact O-N 2.9Å; I89-F92 PolarHBondContact O-N 3.13Å; I89-M93 HydrophobicContact CG2-CG 4.23Å; I89-M93 HydrophobicContact CG2-SD 3.77Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 3.17Å |
| 90 | R | 97.9 | Very high | 97.2 | Very high | 159 Ų | 159 | 88.3 Ų | 88.3 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 178.1 | -80.1 | -173.8 | -100.3 | -149.8 | -2.8 | 112.5 | N86 R87 I88 F92 M94 | N86-R90 WeakPolarHBondContact O-CB 3.45Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.33Å; N86-R90 VanDerWaalsContact O-N 3.14Å; N86-R90 PolarHBondContact O-NE 2.9Å; N86-R90 VanDerWaalsContact O-NE 3.13Å; R87-R90 PolarHBondContact O-N 3.18Å; I88-R90 PolarHBondContact O-N 2.97Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.14Å; R90-M94 WeakPolarHBondContact O-CB 3.27Å; R90-M94 WeakPolarHBondContact O-CG 3.38Å; R90-M94 PolarHBondContact O-N 2.76Å |
| 91 | A | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 94.7 Ų | 94.7 | 49% | 0.488 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R87 I88 M94 E95 | R87-A91 VanDerWaalsContact O-CB 3.3Å; R87-A91 WeakPolarHBondContact O-CB 3.44Å; R87-A91 PolarHBondContact O-N 3.5Å; I88-A91 PolarHBondContact O-N 3.42Å; A91-M94 PolarHBondContact O-N 2.63Å; A91-E95 WeakPolarHBondContact O-CG 3.48Å; A91-E95 PolarHBondContact O-N 3.19Å; A91-E95 VanDerWaalsContact O-N 3.1Å |
| 92 | F | 98.2 | Very high | 97.3 | Very high | 126 Ų | 126 | 94 Ų | 94 | 55% | 0.553 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.2 | -55.9 | 177.2 | 176 | -107.2 | 0 | 0 | 0 | 112.1 | I88 I89 R90 M94 E95 E96 | I88-F92 WeakPolarHBondContact O-CB 3.39Å; I88-F92 PolarHBondContact O-N 2.97Å; I89-F92 PolarHBondContact O-N 3.13Å; R90-F92 VanDerWaalsContact C-N 3.34Å; R90-F92 PolarHBondContact O-N 3.14Å; F92-M94 VanDerWaalsContact C-N 3.27Å; F92-M94 PolarHBondContact O-N 3.04Å; F92-E95 PolarHBondContact O-N 3.48Å; F92-E96 HydrophobicContact CD1-CG 4.36Å; F92-E96 HydrophobicContact CD2-CG 4.14Å; F92-E96 HydrophobicContact CE1-CG 3.94Å; F92-E96 HydrophobicContact CE2-CG 3.69Å; F92-E96 WeakPolarHBondContact CE2-OE1 3.42Å; F92-E96 HydrophobicContact CG-CG 4.45Å; F92-E96 HydrophobicContact CZ-CG 3.58Å; F92-E96 WeakPolarHBondContact O-CG 3.2Å; F92-E96 PolarHBondContact O-N 3.01Å |
| 93 | M | 97.7 | Very high | 97.3 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60 | -36.4 | -178.2 | -70.8 | -178.9 | 74.7 | 0 | 0 | 112.9 | I89 Q97 | I89-M93 HydrophobicContact CG2-CG 4.23Å; I89-M93 HydrophobicContact CG2-SD 3.77Å; I89-M93 WeakPolarHBondContact O-CB 3.34Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 3.17Å; M93-Q97 WeakPolarHBondContact O-CB 3.4Å; M93-Q97 WeakPolarHBondContact O-CG 3.32Å; M93-Q97 PolarHBondContact O-N 3.38Å |
| 94 | M | 97.8 | Very high | 97.4 | Very high | 123 Ų | 123 | 97.5 Ų | 97.5 | 61% | 0.606 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.4 | -38.3 | 179.6 | -68.4 | -66.3 | -77.3 | 0 | 0 | 112 | R90 A91 F92 K98 | R90-M94 WeakPolarHBondContact O-CB 3.27Å; R90-M94 WeakPolarHBondContact O-CG 3.38Å; R90-M94 PolarHBondContact O-N 2.76Å; A91-M94 PolarHBondContact O-N 2.63Å; F92-M94 VanDerWaalsContact C-N 3.27Å; F92-M94 PolarHBondContact O-N 3.04Å; M94-K98 VanDerWaalsContact O-CB 3.27Å; M94-K98 WeakPolarHBondContact O-CB 3.46Å; M94-K98 PolarHBondContact O-N 2.97Å |
| 95 | E | 97.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 173.9 | -71.1 | -57.3 | 139.1 | 0 | 0 | 111.2 | A91 F92 Q97 K98 V99 | A91-E95 WeakPolarHBondContact O-CG 3.48Å; A91-E95 PolarHBondContact O-N 3.19Å; A91-E95 VanDerWaalsContact O-N 3.1Å; F92-E95 PolarHBondContact O-N 3.48Å; E95-Q97 PolarHBondContact O-N 3.13Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.08Å; E95-V99 WeakPolarHBondContact O-CG2 3.09Å; E95-V99 PolarHBondContact O-N 3.39Å |
| 96 | E | 97.2 | Very high | 97.3 | Very high | 104 Ų | 104 | 99.9 Ų | 99.9 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 176.4 | -70.1 | -59 | 133.8 | 0 | 0 | 111.9 | F92 K98 V99 L100 | F92-E96 HydrophobicContact CD1-CG 4.36Å; F92-E96 HydrophobicContact CD2-CG 4.14Å; F92-E96 HydrophobicContact CE1-CG 3.94Å; F92-E96 HydrophobicContact CE2-CG 3.69Å; F92-E96 WeakPolarHBondContact CE2-OE1 3.42Å; F92-E96 HydrophobicContact CG-CG 4.45Å; F92-E96 HydrophobicContact CZ-CG 3.58Å; F92-E96 WeakPolarHBondContact O-CG 3.2Å; F92-E96 PolarHBondContact O-N 3.01Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.44Å; E96-V99 PolarHBondContact O-N 3.46Å; E96-L100 WeakPolarHBondContact O-CB 3.34Å; E96-L100 PolarHBondContact O-N 2.94Å |
| 97 | Q | 97.2 | Very high | 97.3 | Very high | 88 Ų | 88 | 101.9 Ų | 101.9 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.3 | -75.9 | 179.2 | 1.5 | 0 | 0 | 112.5 | M93 E95 K101 | M93-Q97 WeakPolarHBondContact O-CB 3.4Å; M93-Q97 WeakPolarHBondContact O-CG 3.32Å; M93-Q97 PolarHBondContact O-N 3.38Å; E95-Q97 PolarHBondContact O-N 3.13Å; Q97-K101 WeakPolarHBondContact O-CB 3.2Å; Q97-K101 WeakPolarHBondContact O-CG 3.33Å; Q97-K101 PolarHBondContact O-N 3.07Å |
| 98 | K | 97.7 | Very high | 97.2 | Very high | 109 Ų | 109 | 104 Ų | 104 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 179 | -179.1 | -176 | 174.5 | -167.9 | 0 | 111.2 | M94 E95 E96 K101 Q102 | M94-K98 VanDerWaalsContact O-CB 3.27Å; M94-K98 WeakPolarHBondContact O-CB 3.46Å; M94-K98 PolarHBondContact O-N 2.97Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.08Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 3.42Å; K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 3.38Å; K98-Q102 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 97.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 107.2 Ų | 107.2 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.5 | E95 E96 K101 Q102 L103 | E95-V99 WeakPolarHBondContact O-CG2 3.09Å; E95-V99 PolarHBondContact O-N 3.39Å; E96-V99 PolarHBondContact O-N 3.46Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 3.46Å; V99-Q102 WeakPolarHBondContact O-CB 3.48Å; V99-Q102 PolarHBondContact O-N 3.18Å; V99-Q102 VanDerWaalsContact O-N 3.09Å; V99-L103 HydrophobicContact CG1-CD1 4.14Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.8Å |
| 100 | L | 96.9 | Very high | 97 | Very high | 102 Ų | 102 | 112.1 Ų | 112.1 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 178.6 | -178.8 | 62.5 | 0 | 0 | 0 | 112.3 | E96 Q102 L103 I104 | E96-L100 WeakPolarHBondContact O-CB 3.34Å; E96-L100 PolarHBondContact O-N 2.94Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.07Å; L100-L103 PolarHBondContact O-N 3.3Å; L100-I104 HydrophobicContact CD1-CD1 4.11Å; L100-I104 HydrophobicContact CD1-CG1 4.38Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.45Å |
| 101 | K | 97 | Very high | 96.8 | Very high | 143 Ų | 143 | 110.2 Ų | 110.2 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 176.5 | -77.3 | 172 | -176.9 | 176.6 | 0 | 112.4 | Q97 K98 V99 K105 | Q97-K101 WeakPolarHBondContact O-CB 3.2Å; Q97-K101 WeakPolarHBondContact O-CG 3.33Å; Q97-K101 PolarHBondContact O-N 3.07Å; K98-K101 PolarHBondContact O-N 3.42Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 3.46Å; K101-K105 WeakPolarHBondContact O-CB 3.39Å; K101-K105 PolarHBondContact O-N 3.19Å |
| 102 | Q | 97.1 | Very high | 96.6 | Very high | 105 Ų | 105 | 114.9 Ų | 114.9 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 175.9 | -72.5 | 176.8 | -16.8 | 0 | 0 | 111.2 | K98 V99 L100 I104 K105 E106 | K98-Q102 WeakPolarHBondContact O-CG 3.3Å; K98-Q102 PolarHBondContact O-N 3.38Å; K98-Q102 VanDerWaalsContact O-N 3.14Å; V99-Q102 WeakPolarHBondContact O-CB 3.48Å; V99-Q102 PolarHBondContact O-N 3.18Å; V99-Q102 VanDerWaalsContact O-N 3.09Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.07Å; Q102-I104 PolarHBondContact O-N 3.41Å; Q102-K105 WeakPolarHBondContact O-CB 3.16Å; Q102-K105 PolarHBondContact O-N 3.12Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q102-E106 WeakPolarHBondContact O-CG 3.18Å; Q102-E106 PolarHBondContact O-N 3.31Å |
| 103 | L | 96.6 | Very high | 96.3 | Very high | 85 Ų | 85 | 115.7 Ų | 115.7 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 177.5 | -68.1 | 174.2 | 0 | 0 | 0 | 112.4 | V99 L100 K105 E106 Q107 | V99-L103 HydrophobicContact CG1-CD1 4.14Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 2.8Å; L100-L103 PolarHBondContact O-N 3.3Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; L103-E106 PolarHBondContact O-N 3.48Å; L103-Q107 WeakPolarHBondContact O-CG 3.42Å; L103-Q107 PolarHBondContact O-N 3.08Å |
| 104 | I | 97.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 115 Ų | 115 | 35% | 0.349 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.1 | -67 | 166.9 | 0 | 0 | 0 | 110.7 | L100 Q102 E106 Q107 K108 | L100-I104 HydrophobicContact CD1-CD1 4.11Å; L100-I104 HydrophobicContact CD1-CG1 4.38Å; L100-I104 HydrophobicContact CG-CD1 3.93Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.45Å; Q102-I104 PolarHBondContact O-N 3.41Å; I104-E106 VanDerWaalsContact C-N 3.34Å; I104-Q107 PolarHBondContact O-N 3.47Å; I104-K108 HydrophobicContact CG2-CD 4.23Å; I104-K108 WeakPolarHBondContact O-CB 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.38Å; I104-K108 PolarHBondContact O-N 3.09Å |
| 105 | K | 96.7 | Very high | 95.8 | Very high | 148 Ų | 148 | 113.6 Ų | 113.6 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 176.9 | -173.4 | -179 | 179 | -179.2 | 0 | 111.4 | K101 Q102 L103 R109 | K101-K105 WeakPolarHBondContact O-CB 3.39Å; K101-K105 PolarHBondContact O-N 3.19Å; Q102-K105 WeakPolarHBondContact O-CB 3.16Å; Q102-K105 PolarHBondContact O-N 3.12Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.48Å; K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 3.32Å; K105-R109 VanDerWaalsContact O-N 3.11Å |
| 106 | E | 96.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 116.1 Ų | 116.1 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 176 | -73.9 | -179.1 | -168.1 | 0 | 0 | 112.7 | Q102 L103 I104 R109 R110 | Q102-E106 WeakPolarHBondContact O-CG 3.18Å; Q102-E106 PolarHBondContact O-N 3.31Å; L103-E106 PolarHBondContact O-N 3.48Å; I104-E106 VanDerWaalsContact C-N 3.34Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.9Å |
| 107 | Q | 96.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 114.9 Ų | 114.9 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 174.5 | -74.3 | 174.8 | -13.9 | 0 | 0 | 111.1 | L103 I104 R109 R110 E111 | L103-Q107 WeakPolarHBondContact O-CG 3.42Å; L103-Q107 PolarHBondContact O-N 3.08Å; I104-Q107 PolarHBondContact O-N 3.47Å; Q107-R109 PolarHBondContact O-N 3.35Å; Q107-R110 WeakPolarHBondContact O-CA 3.49Å; Q107-R110 WeakPolarHBondContact O-CB 3.47Å; Q107-R110 PolarHBondContact O-N 3.5Å; Q107-E111 WeakPolarHBondContact O-CG 3.49Å; Q107-E111 PolarHBondContact O-N 3.11Å |
| 108 | K | 96.2 | Very high | 94.6 | Very high | 122 Ų | 122 | 114.4 Ų | 114.4 | 53% | 0.53 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 175.7 | -72.8 | -179.8 | 179.5 | -174.4 | 0 | 113 | I104 K112 | I104-K108 HydrophobicContact CG2-CD 4.23Å; I104-K108 WeakPolarHBondContact O-CB 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.38Å; I104-K108 PolarHBondContact O-N 3.09Å; K108-K112 WeakPolarHBondContact O-CB 3.2Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.4Å; K108-K112 VanDerWaalsContact O-N 3.09Å |
| 109 | R | 95.2 | Very high | 94.1 | Very high | 174 Ų | 174 | 115.4 Ų | 115.4 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 174 | -77.3 | 175 | 66.6 | -154 | 1.9 | 111.8 | K105 E106 Q107 K113 | K105-R109 WeakPolarHBondContact O-CG 3.41Å; K105-R109 PolarHBondContact O-N 3.32Å; K105-R109 VanDerWaalsContact O-N 3.11Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.42Å; Q107-R109 PolarHBondContact O-N 3.35Å; R109-K113 WeakPolarHBondContact O-CB 3.2Å; R109-K113 PolarHBondContact O-N 2.91Å |
| 110 | R | 94.5 | Very high | 93.6 | Very high | 171 Ų | 171 | 114.8 Ų | 114.8 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -46.9 | 176.6 | -69.2 | 177.5 | -170.3 | -169.7 | 4.8 | 110.9 | E106 Q107 K112 K113 T114 | E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.9Å; Q107-R110 WeakPolarHBondContact O-CA 3.49Å; Q107-R110 WeakPolarHBondContact O-CB 3.47Å; Q107-R110 PolarHBondContact O-N 3.5Å; R110-K112 PolarHBondContact O-N 2.98Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 2.68Å; R110-K113 VanDerWaalsContact O-N 3.12Å; R110-T114 WeakPolarHBondContact O-CG2 2.91Å; R110-T114 PolarHBondContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.43Å |
| 111 | E | 94.7 | Very high | 92.9 | Very high | 119 Ų | 119 | 116.5 Ų | 116.5 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 176.5 | -71.5 | 169.4 | 179.6 | 0 | 0 | 112.8 | Q107 K113 T114 L115 | Q107-E111 WeakPolarHBondContact O-CG 3.49Å; Q107-E111 PolarHBondContact O-N 3.11Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.5Å; E111-T114 WeakPolarHBondContact CA-OG1 2.8Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.35Å; E111-L115 VanDerWaalsContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 3.32Å |
| 112 | K | 93.6 | Very high | 92.3 | Very high | 157 Ų | 157 | 114.4 Ų | 114.4 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 173.9 | -76.3 | -179.7 | 179.5 | -169.1 | 0 | 112 | K108 R110 W116 | K108-K112 WeakPolarHBondContact O-CB 3.2Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.4Å; K108-K112 VanDerWaalsContact O-N 3.09Å; R110-K112 PolarHBondContact O-N 2.98Å; K112-W116 VanDerWaalsContact O-CB 3.29Å; K112-W116 WeakPolarHBondContact O-CB 3.45Å; K112-W116 PolarHBondContact O-N 2.98Å |
| 113 | K | 91.9 | Very high | 91.5 | Very high | 143 Ų | 143 | 114.1 Ų | 114.1 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.4 | -42.3 | 177.8 | -171 | 177.5 | -178.4 | -178.7 | 0 | 111.6 | R109 R110 E111 W116 N117 | R109-K113 WeakPolarHBondContact O-CB 3.2Å; R109-K113 PolarHBondContact O-N 2.91Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 2.68Å; R110-K113 VanDerWaalsContact O-N 3.12Å; E111-K113 VanDerWaalsContact C-N 3.33Å; E111-K113 PolarHBondContact O-N 3.5Å; K113-W116 PolarHBondContact O-N 2.8Å; K113-N117 WeakPolarHBondContact O-CB 3.49Å; K113-N117 PolarHBondContact O-N 2.91Å; K113-N117 PolarHBondContact O-ND2 3.28Å |
| 114 | T | 93.2 | Very high | 90.7 | Very high | 83 Ų | 83 | 114.3 Ų | 114.3 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | R110 E111 W116 N117 T118 | R110-T114 WeakPolarHBondContact O-CG2 2.91Å; R110-T114 PolarHBondContact O-N 3.11Å; R110-T114 PolarHBondContact O-OG1 3.43Å; E111-T114 WeakPolarHBondContact CA-OG1 2.8Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.35Å; T114-W116 PolarHBondContact O-N 2.84Å; T114-N117 PolarHBondContact O-N 3.2Å; T114-T118 PolarHBondContact O-N 2.94Å; T114-T118 PolarHBondContact O-OG1 3.16Å |
| 115 | L | 92.1 | Very high | 89.8 | Confident | 95 Ų | 95 | 117.5 Ų | 117.5 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.7 | -176.2 | 65.6 | 0 | 0 | 0 | 112.2 | E111 T118 K119 | E111-L115 VanDerWaalsContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CB 3.38Å; E111-L115 PolarHBondContact O-N 3.32Å; L115-T118 PolarHBondContact O-N 2.97Å; L115-K119 HydrophobicContact CG-CD 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 VanDerWaalsContact O-CG 3.31Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.26Å |
| 116 | W | 87.1 | Confident | 88.8 | Confident | 158 Ų | 158 | 115.9 Ų | 115.9 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 176.1 | -176.8 | 85.3 | 0 | 0 | 0 | 111.6 | K112 K113 T114 T118 K119 N120 | K112-W116 VanDerWaalsContact O-CB 3.29Å; K112-W116 WeakPolarHBondContact O-CB 3.45Å; K112-W116 PolarHBondContact O-N 2.98Å; K113-W116 PolarHBondContact O-N 2.8Å; T114-W116 PolarHBondContact O-N 2.84Å; W116-T118 PolarHBondContact O-N 3.09Å; W116-K119 PolarHBondContact O-N 2.83Å; W116-N120 VanDerWaalsContact CD2-ND2 3.27Å; W116-N120 VanDerWaalsContact CE3-ND2 3.33Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.48Å; W116-N120 WeakPolarHBondContact CZ2-ND2 3.42Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.42Å; W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 VanDerWaalsContact O-CG 3.3Å; W116-N120 PolarHBondContact O-N 2.99Å |
| 117 | N | 88.3 | Confident | 87.4 | Confident | 78 Ų | 78 | 117 Ų | 117 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.3 | -73.3 | -14.3 | 0 | 0 | 0 | 112.1 | K113 T114 N120 K121 | K113-N117 WeakPolarHBondContact O-CB 3.49Å; K113-N117 PolarHBondContact O-N 2.91Å; K113-N117 PolarHBondContact O-ND2 3.28Å; T114-N117 PolarHBondContact O-N 3.2Å; N117-N120 PolarHBondContact O-N 3.16Å; N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 PolarHBondContact O-N 3.07Å |
| 118 | T | 90.1 | Very high | 85.6 | Confident | 78 Ų | 78 | 113.4 Ų | 113.4 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.7 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | T114 L115 W116 K121 L122 | T114-T118 PolarHBondContact O-N 2.94Å; T114-T118 PolarHBondContact O-OG1 3.16Å; L115-T118 PolarHBondContact O-N 2.97Å; W116-T118 PolarHBondContact O-N 3.09Å; T118-K121 PolarHBondContact O-N 3Å; T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 PolarHBondContact O-N 3.47Å |
| 119 | K | 88.5 | Confident | 83.5 | Confident | 130 Ų | 130 | 114 Ų | 114 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 174.7 | -77.4 | -178 | 177.6 | -171.3 | 0 | 111.7 | L115 W116 K121 L122 L123 | L115-K119 HydrophobicContact CG-CD 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.47Å; L115-K119 VanDerWaalsContact O-CG 3.31Å; L115-K119 WeakPolarHBondContact O-CG 3.09Å; L115-K119 PolarHBondContact O-N 3.26Å; W116-K119 PolarHBondContact O-N 2.83Å; K119-K121 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 2.88Å; K119-L123 WeakPolarHBondContact O-CB 3.16Å; K119-L123 PolarHBondContact O-N 3.06Å |
| 120 | N | 85.5 | Confident | 81.5 | Confident | 55 Ų | 55 | 111.4 Ų | 111.4 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.8 | -72.5 | -11.5 | 0 | 0 | 0 | 112.2 | W116 N117 L122 L123 T124 | W116-N120 VanDerWaalsContact CD2-ND2 3.27Å; W116-N120 VanDerWaalsContact CE3-ND2 3.33Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.48Å; W116-N120 WeakPolarHBondContact CZ2-ND2 3.42Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.42Å; W116-N120 WeakPolarHBondContact O-CB 3.25Å; W116-N120 VanDerWaalsContact O-CG 3.3Å; W116-N120 PolarHBondContact O-N 2.99Å; N117-N120 PolarHBondContact O-N 3.16Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.88Å; N120-L123 PolarHBondContact O-N 3.43Å; N120-T124 WeakPolarHBondContact O-CG2 3.44Å; N120-T124 PolarHBondContact O-N 3.37Å; N120-T124 PolarHBondContact O-OG1 3.31Å; N120-T124 VanDerWaalsContact O-OG1 3.13Å |
| 121 | K | 83.9 | Confident | 79.3 | Confident | 139 Ų | 139 | 106.8 Ų | 106.8 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -34.3 | 176 | -169.4 | 174.3 | -177.4 | 176.1 | 0 | 112.6 | N117 T118 K119 T124 K125 | N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 PolarHBondContact O-N 3.07Å; T118-K121 PolarHBondContact O-N 3Å; K119-K121 PolarHBondContact O-N 3.39Å; K121-T124 PolarHBondContact O-OG1 2.86Å; K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 3Å |
| 122 | L | 83.8 | Confident | 77.1 | Confident | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 171.8 | -82.8 | 154.4 | 0 | 0 | 0 | 111.3 | T118 K119 N120 T124 K125 L126 | T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 PolarHBondContact O-N 3.47Å; K119-L122 PolarHBondContact O-N 2.88Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.88Å; L122-T124 PolarHBondContact O-N 3.23Å; L122-K125 PolarHBondContact O-N 3.04Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.41Å |
| 123 | L | 80.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 178 | -164.7 | 96.9 | 0 | 0 | 0 | 111.5 | K119 N120 K125 L126 L127 | K119-L123 WeakPolarHBondContact O-CB 3.16Å; K119-L123 PolarHBondContact O-N 3.06Å; N120-L123 PolarHBondContact O-N 3.43Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.18Å; L123-L126 PolarHBondContact O-N 3.24Å; L123-L127 HydrophobicContact CD2-CD1 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.06Å |
| 124 | T | 79.2 | Confident | 73.1 | Confident | 89 Ų | 89 | 104 Ų | 104 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | N120 K121 L122 G128 | N120-T124 WeakPolarHBondContact O-CG2 3.44Å; N120-T124 PolarHBondContact O-N 3.37Å; N120-T124 PolarHBondContact O-OG1 3.31Å; N120-T124 VanDerWaalsContact O-OG1 3.13Å; K121-T124 PolarHBondContact O-OG1 2.86Å; L122-T124 PolarHBondContact O-N 3.23Å; T124-G128 PolarHBondContact O-N 3.02Å |
| 125 | K | 78.9 | Confident | 71.1 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 172.2 | -80.8 | -177.5 | 175.7 | -168 | 0 | 112.8 | K121 L122 L123 H129 | K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 3Å; L122-K125 PolarHBondContact O-N 3.04Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.18Å; K125-H129 PolarHBondContact O-N 2.99Å |
| 126 | L | 74.3 | Confident | 69.2 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 60% | 0.602 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.4 | -47.8 | 177.4 | -70.2 | 168.8 | 0 | 0 | 0 | 111 | L122 L123 H129 Q130 | L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 3.24Å; L126-H129 PolarHBondContact O-N 2.95Å; L126-Q130 PolarHBondContact O-N 2.85Å; L126-Q130 PolarHBondContact O-OE1 2.89Å |
| 127 | L | 68.4 | Low | 67.5 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.9 | -35.3 | 179.4 | -67.4 | 171.2 | 0 | 0 | 0 | 113 | L123 H129 Q130 S131 | L123-L127 HydrophobicContact CD2-CD1 3.89Å; L123-L127 HydrophobicContact CG-CD1 3.94Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 3.06Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 2.95Å; L127-Q130 WeakPolarHBondContact O-CB 2.97Å; L127-Q130 PolarHBondContact O-N 2.9Å; L127-S131 PolarHBondContact O-N 2.88Å |
| 128 | G | 57.8 | Low | 65.6 | Low | 38 Ų | 38 | 110.6 Ų | 110.6 | 39% | 0.392 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -23.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T124 S131 | T124-G128 PolarHBondContact O-N 3.02Å; G128-S131 PolarHBondContact O-OG 2.89Å |
| 129 | H | 52.5 | Low | 63.5 | Low | 136 Ų | 136 | 120 Ų | 120 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.6 | -23.2 | 170.1 | -98.2 | -71.6 | 0 | 0 | 0 | 112.9 | K125 L126 L127 T132 | K125-H129 PolarHBondContact O-N 2.99Å; L126-H129 PolarHBondContact O-N 2.95Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 2.95Å; H129-T132 PolarHBondContact O-OG1 3.48Å |
| 130 | Q | 51.8 | Low | 62.3 | Low | 119 Ų | 119 | 119.5 Ų | 119.5 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.3 | -39.7 | 177.3 | -124.9 | 91.2 | 26 | 0 | 0 | 111.5 | L126 L127 T132 F133 D134 | L126-Q130 PolarHBondContact O-N 2.85Å; L126-Q130 PolarHBondContact O-OE1 2.89Å; L127-Q130 WeakPolarHBondContact O-CB 2.97Å; L127-Q130 PolarHBondContact O-N 2.9Å; Q130-T132 VanDerWaalsContact C-N 3.32Å; Q130-T132 PolarHBondContact O-N 3.06Å; Q130-F133 PolarHBondContact O-N 2.94Å; Q130-D134 PolarHBondContact O-N 3.01Å; Q130-D134 VanDerWaalsContact O-N 3.09Å |
| 131 | S | 50.1 | Low | 61.1 | Low | 73 Ų | 73 | 122.8 Ų | 122.8 | 51% | 0.51 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.9 | -22.3 | -177.4 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | L127 G128 | L127-S131 PolarHBondContact O-N 2.88Å; G128-S131 PolarHBondContact O-OG 2.89Å |
| 132 | T | 48.5 | Very low | 59.8 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -83.3 | -19.9 | 173 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | H129 Q130 | H129-T132 PolarHBondContact O-OG1 3.48Å; Q130-T132 VanDerWaalsContact C-N 3.32Å; Q130-T132 PolarHBondContact O-N 3.06Å |
| 133 | F | 51.2 | Low | 58.4 | Low | 158 Ų | 158 | 123.3 Ų | 123.3 | 69% | 0.693 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.5 | -37.3 | 173.4 | -101.3 | -90 | 0 | 0 | 0 | 112.5 | Q130 M135 F136 | Q130-F133 PolarHBondContact O-N 2.94Å; F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.05Å; F133-F136 PolarHBondContact O-N 3.16Å |
| 134 | D | 49.7 | Very low | 57 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.8 | -24.3 | 177.3 | -82 | -26.6 | 0 | 0 | 0 | 113.2 | Q130 F136 | Q130-D134 PolarHBondContact O-N 3.01Å; Q130-D134 VanDerWaalsContact O-N 3.09Å; D134-F136 VanDerWaalsContact C-N 3.3Å |
| 135 | M | 50.2 | Low | 55.5 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 74% | 0.739 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -13.9 | 176 | -154.7 | 177.6 | -77.5 | 0 | 0 | 112.9 | F133 | F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.05Å |
| 136 | F | 53 | Low | 53.8 | Low | 179 Ų | 179 | 126.7 Ų | 126.7 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -0.9 | 179.5 | -111.9 | -87.6 | 0 | 0 | 0 | 114.2 | F133 D134 | F133-F136 PolarHBondContact O-N 3.16Å; D134-F136 VanDerWaalsContact C-N 3.3Å |
| 137 | C | 50.9 | Low | 52.3 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -107.5 | 4.1 | 178.7 | -135.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 138 | C | 48.9 | Very low | 50.9 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 78% | 0.777 | 67% | 0.67 | S | S | * | * | trans | -114.4 | 16 | 176.8 | -87.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 139 | Y | 46.5 | Very low | 50.3 | Low | 275 Ų | 275 | 137.8 Ų | 137.8 | 100% | 1.078 | 70% | 0.695 | S | S | * | * | trans | -131.5 | 0 | 167.5 | -88.5 | -83.6 | 0 | 0 | 0 | 108.8 |
Retrieved 139 of 139 residues in 170.7 ms
(Link to these results)