| 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 | 23.6 | Very low | 25 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 97% | 0.966 | 73% | 0.725 | S | S | * | * | 0 | 109.8 | 0 | -170.1 | 171.7 | 113.1 | 0 | 0 | 106.5 | T3 | M1-T3 HydrophobicContact CE-CG2 3.74Š| |||
| 2 | F | 21.5 | Very low | 25.2 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -96.2 | 99.4 | 174.7 | -72.8 | -80.3 | 0 | 0 | 0 | 107.5 | F4 | F2-F4 PolarHBondContact O-N 3.48Š| ||
| 3 | T | 22.4 | Very low | 25.3 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | -79.6 | 109.7 | 165.4 | 38.3 | 0 | 0 | 0 | 0 | 107.2 | M1 D5 | M1-T3 HydrophobicContact CE-CG2 3.74Å; T3-D5 PolarHBondContact O-N 3.3Å; T3-D5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | F | 27.5 | Very low | 25.4 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 60% | 0.596 | 73% | 0.734 | S | S | * | * | trans | -63 | 118.1 | 162.3 | -76.6 | -81.6 | 0 | 0 | 0 | 107.2 | F2 Q6 | F2-F4 PolarHBondContact O-N 3.48Å; F4-Q6 PolarHBondContact O-N 2.96Å | ||
| 5 | D | 23.6 | Very low | 25.4 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | -55 | 112.6 | -179.6 | -162.8 | -15.8 | 0 | 0 | 0 | 109.3 | T3 S7 | T3-D5 PolarHBondContact O-N 3.3Å; T3-D5 VanDerWaalsContact O-N 3.17Å; D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 WeakPolarHBondContact OD1-CB 3.35Å; D5-S7 PolarHBondContact OD1-N 3.43Å; D5-S7 PolarHBondContact OD1-OG 3.04Å; D5-S7 PolarHBondContact OD2-OG 2.9Å; D5-S7 VanDerWaalsContact OD2-OG 3.12Å | ||
| 6 | Q | 28.5 | Very low | 25.4 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -59.6 | -9.2 | 178.4 | -113.8 | 169.6 | -4.7 | 0 | 0 | 112.3 | F4 | F4-Q6 PolarHBondContact O-N 2.96Š|
| 7 | S | 25 | Very low | 25.5 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -88.1 | -2.5 | -171.3 | 68 | 0 | 0 | 0 | 0 | 116.3 | D5 | D5-S7 PolarHBondContact O-N 3.1Å; D5-S7 WeakPolarHBondContact OD1-CB 3.35Å; D5-S7 PolarHBondContact OD1-N 3.43Å; D5-S7 PolarHBondContact OD1-OG 3.04Å; D5-S7 PolarHBondContact OD2-OG 2.9Å; D5-S7 VanDerWaalsContact OD2-OG 3.12Å |
| 8 | T | 26.8 | Very low | 25.6 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -110.3 | 12.3 | 169.4 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | N10 | T8-N10 PolarHBondContact O-N 3.26Š|
| 9 | C | 24.9 | Very low | 25.6 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 63% | 0.628 | 71% | 0.712 | S | S | * | * | trans | -72.7 | 71.9 | 161.5 | -155.3 | 0 | 0 | 0 | 0 | 108.7 | R11 | C9-R11 PolarHBondContact O-N 3.28Š| ||
| 10 | N | 25.1 | Very low | 25.7 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | -66.5 | 93.9 | 169.4 | -139.6 | -13.9 | 0 | 0 | 0 | 105.7 | T8 N12 R13 | T8-N10 PolarHBondContact O-N 3.26Å; N10-N12 PolarHBondContact O-N 3.47Å; N10-R13 PolarHBondContact O-N 3.23Å | ||
| 11 | R | 26.5 | Very low | 25.9 | Very low | 229 Ų | 229 | 146.2 Ų | 146.2 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 11.8 | -172.2 | -77.2 | -179.4 | 173.4 | 175.8 | -1.4 | 115.2 | C9 | C9-R11 PolarHBondContact O-N 3.28Š|
| 12 | N | 27.5 | Very low | 26.1 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 11.6 | -174.9 | -78.3 | -22.8 | 0 | 0 | 0 | 115.9 | N10 Q14 | N10-N12 PolarHBondContact O-N 3.47Å; N12-Q14 VanDerWaalsContact C-N 3.34Å; N12-Q14 PolarHBondContact O-N 3.34Å |
| 13 | R | 26 | Very low | 26.4 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | -81.3 | 81.4 | 170.7 | -77.4 | -169.3 | 178.5 | -176.6 | 1.2 | 111.3 | N10 Y15 | N10-R13 PolarHBondContact O-N 3.23Å; R13-Y15 PolarHBondContact O-N 2.87Å | ||
| 14 | Q | 26.3 | Very low | 26.5 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -62.5 | 115.8 | 153.1 | -73.5 | 177.9 | 0.6 | 0 | 0 | 107.2 | N12 P16 | N12-Q14 VanDerWaalsContact C-N 3.34Å; N12-Q14 PolarHBondContact O-N 3.34Å; Q14-P16 VanDerWaalsContact O-CD 3.26Å; Q14-P16 WeakPolarHBondContact O-CD 3.38Å | ||
| 15 | Y | 25.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 113.6 | 164.9 | -75.7 | -84.3 | 0 | 0 | 0 | 107.3 | R13 I17 | R13-Y15 PolarHBondContact O-N 2.87Å; Y15-I17 PolarHBondContact O-N 2.88Å | ||
| 16 | P | 26.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -65.6 | 119.6 | 172.6 | 26.5 | -30.6 | 0 | 0 | 0 | 107.9 | Q14 P18 | Q14-P16 VanDerWaalsContact O-CD 3.26Å; Q14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-P18 VanDerWaalsContact O-CD 3.24Å; P16-P18 WeakPolarHBondContact O-CD 3.33Å | ||
| 17 | I | 27.2 | Very low | 26.5 | Very low | 95 Ų | 95 | 153 Ų | 153 | 49% | 0.487 | 75% | 0.745 | S | S | . | * | trans | -76.4 | 113.1 | 165.4 | -59.4 | 173.1 | 0 | 0 | 0 | 105.6 | Y15 Y19 I142 | Y15-I17 PolarHBondContact O-N 2.88Å; I17-Y19 HydrophobicContact CB-CE2 4.42Å; I17-Y19 HydrophobicContact CG2-CE2 4.49Å; I17-Y19 WeakPolarHBondContact O-CD2 3.3Å; I17-Y19 PolarHBondContact O-N 3.5Å; I17-I142 HydrophobicContact CD1-CD1 4.49Å | ||
| 18 | P | 26.2 | Very low | 26.5 | Very low | 116 Ų | 116 | 158.5 Ų | 158.5 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -69 | 107.3 | 172.6 | 27.4 | -29.9 | 0 | 0 | 0 | 107.9 | P16 | P16-P18 VanDerWaalsContact O-CD 3.24Å; P16-P18 WeakPolarHBondContact O-CD 3.33Å | ||
| 19 | Y | 26.8 | Very low | 26.5 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 56% | 0.561 | 76% | 0.761 | S | S | * | * | trans | -74.4 | 123 | 164.9 | -69.8 | -87.5 | 0 | 0 | 0 | 107.2 | I17 E21 | I17-Y19 HydrophobicContact CB-CE2 4.42Å; I17-Y19 HydrophobicContact CG2-CE2 4.49Å; I17-Y19 WeakPolarHBondContact O-CD2 3.3Å; I17-Y19 PolarHBondContact O-N 3.5Å; Y19-E21 PolarHBondContact O-N 3.3Å | ||
| 20 | Q | 26.6 | Very low | 26.5 | Very low | 185 Ų | 185 | 161.8 Ų | 161.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 103.8 | 164 | -84.4 | -179.3 | -21.4 | 0 | 0 | 107.8 | R22 | Q20-R22 PolarHBondContact O-N 3.13Å; Q20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | E | 29.5 | Very low | 26.5 | Very low | 162 Ų | 162 | 162.4 Ų | 162.4 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -58.3 | 116 | 161.6 | -76.8 | -178.6 | 160.7 | 0 | 0 | 107.6 | Y19 H23 | Y19-E21 PolarHBondContact O-N 3.3Å; E21-H23 VanDerWaalsContact C-N 3.27Å; E21-H23 PolarHBondContact O-N 2.85Å | ||
| 22 | R | 27.5 | Very low | 26.5 | Very low | 241 Ų | 241 | 157.7 Ų | 157.7 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 89.2 | 171.2 | -72.8 | -171.6 | -179.6 | -169.9 | 0.3 | 108.1 | Q20 | Q20-R22 PolarHBondContact O-N 3.13Å; Q20-R22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | H | 28.5 | Very low | 26.3 | Very low | 161 Ų | 161 | 159 Ų | 159 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -100.1 | 114 | 162.1 | -90.6 | -54.1 | 0 | 0 | 0 | 110 | E21 G25 | E21-H23 VanDerWaalsContact C-N 3.27Å; E21-H23 PolarHBondContact O-N 2.85Å; H23-G25 PolarHBondContact O-N 3.06Å | ||
| 24 | N | 25.9 | Very low | 26.3 | Very low | 168 Ų | 168 | 155.4 Ų | 155.4 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -51.1 | 119.8 | 168.6 | -69.7 | -25.3 | 0 | 0 | 0 | 109.5 | ||||
| 25 | G | 27 | Very low | 26.3 | Very low | 68 Ų | 68 | 156.9 Ų | 156.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 161.5 | 99 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H23 K27 | H23-G25 PolarHBondContact O-N 3.06Å; G25-K27 PolarHBondContact O-N 2.84Å; G25-K27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | Y | 24.1 | Very low | 26.4 | Very low | 239 Ų | 239 | 157.6 Ų | 157.6 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -30.2 | 113.3 | 166.4 | -81.1 | -104.6 | 0 | 0 | 0 | 113.3 | ||||
| 27 | K | 26.7 | Very low | 26.4 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -165.7 | 116.2 | 144.7 | -106.2 | 167.1 | -172.4 | -175.5 | 0 | 108.8 | G25 V29 | G25-K27 PolarHBondContact O-N 2.84Å; G25-K27 VanDerWaalsContact O-N 3.15Å; K27-V29 PolarHBondContact O-N 2.76Å; K27-V29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | Q | 25.7 | Very low | 26.3 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 115.4 | 166.2 | -80.5 | 171.6 | -27.4 | 0 | 0 | 108.8 | ||||
| 29 | V | 26.9 | Very low | 26.4 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -120.8 | 109 | 166.9 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | K27 | K27-V29 PolarHBondContact O-N 2.76Å; K27-V29 VanDerWaalsContact O-N 3.15Å | ||
| 30 | H | 25.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -55.7 | 137.1 | 170 | -86.1 | -80.6 | 0 | 0 | 0 | 111.1 | ||||
| 31 | N | 25.7 | Very low | 26.3 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 52.1 | 88.4 | 154.1 | -72.8 | -14.5 | 0 | 0 | 0 | 119 | ||||
| 32 | T | 26 | Very low | 26.1 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -140.9 | 72 | 150.8 | 45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | F | 23.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -62 | 143.8 | 158.8 | -75.9 | -84.3 | 0 | 0 | 0 | 108.9 | R35 | F33-R35 PolarHBondContact O-N 2.74Š| ||
| 34 | P | 25.5 | Very low | 26 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -60.1 | 102.3 | 169.3 | 24.6 | -30.2 | 0 | 0 | 0 | 108.2 | W36 | P34-W36 PolarHBondContact O-N 2.74Š| ||
| 35 | R | 25 | Very low | 26.2 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 106.6 | 170.3 | -104.5 | -177.9 | 176.5 | -171 | -0.7 | 106.8 | F33 Y38 | F33-R35 PolarHBondContact O-N 2.74Å; R35-Y38 VanDerWaalsContact CZ-OH 3.32Å; R35-Y38 PolarHBondContact NH2-OH 3.34Å | ||
| 36 | W | 27.3 | Very low | 26.2 | Very low | 192 Ų | 192 | 160.3 Ų | 160.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52 | 139.3 | 163 | -70.6 | 86.6 | 0 | 0 | 0 | 108.7 | P34 Y38 | P34-W36 PolarHBondContact O-N 2.74Å; W36-Y38 PolarHBondContact O-N 2.7Å; W36-Y38 VanDerWaalsContact O-N 3.13Å |
| 37 | P | 27.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126.1 | 176.4 | 22.3 | -31 | 0 | 0 | 0 | 108.4 | ||
| 38 | Y | 24.6 | Very low | 26.4 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 132 | 175.6 | -82.7 | -95.8 | 0 | 0 | 0 | 109 | R35 W36 V40 | R35-Y38 VanDerWaalsContact CZ-OH 3.32Å; R35-Y38 PolarHBondContact NH2-OH 3.34Å; W36-Y38 PolarHBondContact O-N 2.7Å; W36-Y38 VanDerWaalsContact O-N 3.13Å; Y38-V40 PolarHBondContact O-N 3.01Å; Y38-V40 VanDerWaalsContact O-N 3.1Å |
| 39 | P | 28.7 | Very low | 26.3 | Very low | 111 Ų | 111 | 152 Ų | 152 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124.8 | 168.9 | 23.7 | -30.5 | 0 | 0 | 0 | 106.9 | V41 | P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 2.93Å |
| 40 | V | 25.2 | Very low | 26.2 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | trans | -57.2 | 104.2 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 106.7 | Y38 N42 | Y38-V40 PolarHBondContact O-N 3.01Å; Y38-V40 VanDerWaalsContact O-N 3.1Å; V40-N42 PolarHBondContact O-N 2.81Å; V40-N42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | V | 25.7 | Very low | 26.1 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -59 | 111.4 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 106.4 | P39 K43 | P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 2.93Å; V41-K43 PolarHBondContact O-N 3.39Å | ||
| 42 | N | 26.7 | Very low | 26 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -63 | 108.9 | 171.1 | -150.3 | 1.4 | 0 | 0 | 0 | 106.8 | V40 F44 | V40-N42 PolarHBondContact O-N 2.81Å; V40-N42 VanDerWaalsContact O-N 3.1Å; N42-F44 PolarHBondContact O-N 3.15Å | ||
| 43 | K | 26.7 | Very low | 25.8 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -76.8 | 48.1 | -174.1 | -73.8 | -173.9 | 173.6 | -177.8 | 0 | 111.9 | V41 | V41-K43 PolarHBondContact O-N 3.39Š|
| 44 | F | 26.8 | Very low | 25.8 | Very low | 181 Ų | 181 | 152 Ų | 152 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -149.2 | 122.4 | 167.5 | -77 | -78.9 | 0 | 0 | 0 | 108.4 | N42 | N42-F44 PolarHBondContact O-N 3.15Š|
| 45 | I | 29.8 | Very low | 25.6 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | 87.9 | 83.6 | -179.6 | -44.7 | 165.3 | 0 | 0 | 0 | 113.9 | K47 | I45-K47 PolarHBondContact O-N 3.11Š| ||
| 46 | Q | 26.3 | Very low | 25.7 | Very low | 206 Ų | 206 | 152.4 Ų | 152.4 | 96% | 0.963 | 73% | 0.731 | S | S | * | * | trans | -79.7 | 86.2 | 175.5 | -158.4 | 173.5 | 24.8 | 0 | 0 | 109.8 | ||||
| 47 | K | 28.2 | Very low | 25.5 | Very low | 165 Ų | 165 | 146 Ų | 146 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | -129 | 138 | 158.5 | -85.7 | -167.4 | 179.5 | -172.5 | 0 | 108.5 | I45 | I45-K47 PolarHBondContact O-N 3.11Š| ||
| 48 | Q | 26.8 | Very low | 25.4 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -59.2 | 154.6 | -165.5 | -62.5 | -165.1 | 2.5 | 0 | 0 | 113.9 | E50 | Q48-E50 HydrophobicContact CB-CG 4.44Å; Q48-E50 PolarHBondContact O-N 3.42Å | ||
| 49 | P | 24.9 | Very low | 25.5 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -70.1 | 86.4 | 164.9 | 30.5 | -31.4 | 0 | 0 | 0 | 108.6 | ||||
| 50 | E | 24.1 | Very low | 25.4 | Very low | 82 Ų | 82 | 151.2 Ų | 151.2 | 38% | 0.383 | 75% | 0.745 | S | S | . | * | trans | -78.2 | 125.4 | 170.9 | -76 | 168.8 | 147.4 | 0 | 0 | 109.9 | Q48 Q218 | Q48-E50 HydrophobicContact CB-CG 4.44Å; Q48-E50 PolarHBondContact O-N 3.42Å; E50-Q218 VanDerWaalsContact CD-CG 3.43Å; E50-Q218 HydrophobicContact CG-CG 4.35Å; E50-Q218 WeakPolarHBondContact OE1-CG 3.36Å; E50-Q218 WeakPolarHBondContact OE2-CG 3.48Å; E50-Q218 PolarHBondContact OE2-NE2 3.4Å | ||
| 51 | R | 22.9 | Very low | 25.4 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | -59.6 | 139.5 | 177.3 | -79.7 | 171.8 | 160.8 | 179.2 | -4.1 | 111.1 | ||||
| 52 | I | 23.8 | Very low | 25.5 | Very low | 134 Ų | 134 | 155.7 Ų | 155.7 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | -104.5 | 116.2 | 163.2 | -59.9 | -178.6 | 0 | 0 | 0 | 108.8 | Y54 | I52-Y54 HydrophobicContact CG2-CD2 3.29Å; I52-Y54 HydrophobicContact CG2-CE2 3.07Å; I52-Y54 HydrophobicContact CG2-CG 4.42Å | ||
| 53 | H | 21.8 | Very low | 25.5 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 50% | 0.5 | 75% | 0.751 | S | S | . | * | trans | -89.6 | 130.6 | 166.5 | -79.8 | 16.8 | 0 | 0 | 0 | 109 | Q215 | H53-Q215 PolarHBondContact CD2-NE2 2.82Å; H53-Q215 PolarHBondContact CE1-NE2 2.82Å; H53-Q215 PolarHBondContact NE2-NE2 3.47Å | ||
| 54 | Y | 23.4 | Very low | 25.4 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | -138.1 | 123.8 | 161.4 | -77.7 | -66.5 | 0 | 0 | 0 | 110.9 | I52 | I52-Y54 HydrophobicContact CG2-CD2 3.29Å; I52-Y54 HydrophobicContact CG2-CE2 3.07Å; I52-Y54 HydrophobicContact CG2-CG 4.42Å | ||
| 55 | H | 22.1 | Very low | 25.5 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | trans | -94 | 134.8 | 165.6 | -77.5 | -11.8 | 0 | 0 | 0 | 109 | ||||
| 56 | F | 25.5 | Very low | 25.3 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 62% | 0.618 | 73% | 0.73 | S | S | * | * | trans | -150.6 | 94.7 | 152 | -75.5 | -59.7 | 0 | 0 | 0 | 110.6 | R199 | F56-R199 VanDerWaalsContact CZ-NH1 3.32Š| ||
| 57 | G | 23.5 | Very low | 25.4 | Very low | 59 Ų | 59 | 145.1 Ų | 145.1 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | -77.9 | 173.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 58 | I | 24.9 | Very low | 25.3 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | cis | -146.4 | 161.2 | 6.7 | -55.2 | 170.3 | 0 | 0 | 0 | 102.5 | ||||
| 59 | E | 26.9 | Very low | 25.4 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | trans | 96.7 | 122.6 | 166.6 | -52.8 | 178.6 | 176.4 | 0 | 0 | 117.4 | ||||
| 60 | D | 27.3 | Very low | 25.4 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -23.9 | 147.9 | 166.8 | -69.7 | -49.1 | 0 | 0 | 0 | 117.4 | ||
| 61 | K | 25.8 | Very low | 25.7 | Very low | 199 Ų | 199 | 128.2 Ų | 128.2 | 87% | 0.865 | 61% | 0.614 | S | S | * | * | trans | 100.6 | 63.6 | 167.7 | -54 | 172 | -175.6 | 178.2 | 0 | 115.8 | ||||
| 62 | L | 27.2 | Very low | 25.8 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | trans | -111.5 | 72.6 | 152.2 | -88 | 159.1 | 0 | 0 | 0 | 110 | E64 | L62-E64 PolarHBondContact O-N 2.99Š| ||
| 63 | K | 25.6 | Very low | 25.9 | Very low | 190 Ų | 190 | 120 Ų | 120 | 83% | 0.826 | 59% | 0.588 | S | S | * | * | trans | -71 | 101.4 | 152.5 | -78.7 | -174.8 | 175.6 | -176.1 | 0 | 106.3 | ||||
| 64 | E | 26.7 | Very low | 26.2 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 50% | 0.495 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 164.7 | 100.9 | 146 | -91.8 | -171 | 151 | 0 | 0 | 110.4 | L62 Q66 K185 | L62-E64 PolarHBondContact O-N 2.99Å; E64-Q66 PolarHBondContact O-N 3.43Å; E64-Q66 VanDerWaalsContact O-N 3.11Å; E64-K185 IonicContact OE1-NZ 3.98Å; E64-K185 PolarHBondContact OE1-NZ 3.43Å |
| 65 | H | 27.2 | Very low | 26.5 | Very low | 183 Ų | 183 | 113.5 Ų | 113.5 | 85% | 0.847 | 56% | 0.564 | S | S | * | * | trans | 27.7 | 63.3 | 161.5 | -58.4 | -61.5 | 0 | 0 | 0 | 119.2 | ||||
| 66 | Q | 26.4 | Very low | 27.1 | Very low | 137 Ų | 137 | 111.4 Ų | 111.4 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | trans | -88.8 | 122.8 | 151.2 | -90.8 | -176.9 | -4.7 | 0 | 0 | 109.5 | E64 V68 | E64-Q66 PolarHBondContact O-N 3.43Å; E64-Q66 VanDerWaalsContact O-N 3.11Å; Q66-V68 PolarHBondContact O-N 2.69Å | ||
| 67 | V | 27.7 | Very low | 27.3 | Very low | 43 Ų | 43 | 112.9 Ų | 112.9 | 26% | 0.261 | 56% | 0.564 | S | S | . | * | trans | -89 | 94.2 | 169.1 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | L69 H93 | V67-L69 HydrophobicContact CG1-CD1 4.04Å; V67-L69 HydrophobicContact CG1-CG 4.2Å; V67-L69 PolarHBondContact O-N 3.39Å; V67-H93 VanDerWaalsContact CG2-CD2 3.48Å; V67-H93 WeakPolarHBondContact CG2-CD2 3.36Å; V67-H93 WeakPolarHBondContact CG2-CE1 3.33Å; V67-H93 WeakPolarHBondContact CG2-ND1 2.97Å; V67-H93 WeakPolarHBondContact CG2-NE2 3.31Å | ||
| 68 | V | 26.5 | Very low | 27.6 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 42% | 0.424 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 106.1 | 172.1 | -177.2 | 0 | 0 | 0 | 0 | 107 | Q66 K173 L175 | Q66-V68 PolarHBondContact O-N 2.69Å; V68-K173 HydrophobicContact CG1-CD 4.13Å; V68-L175 HydrophobicContact CB-CD2 4.3Å; V68-L175 HydrophobicContact CG1-CD2 4.04Å; V68-L175 HydrophobicContact CG2-CD2 3.99Å |
| 69 | L | 29.3 | Very low | 27.9 | Very low | 4 Ų | 4 | 123.4 Ų | 123.4 | 2% | 0.021 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 98.2 | 172.3 | -97.1 | 153.7 | 0 | 0 | 0 | 107.6 | V67 V71 K81 V86 E89 L174 Y176 | V67-L69 HydrophobicContact CG1-CD1 4.04Å; V67-L69 HydrophobicContact CG1-CG 4.2Å; V67-L69 PolarHBondContact O-N 3.39Å; L69-V71 HydrophobicContact CB-CG2 4.26Å; L69-V71 WeakPolarHBondContact O-CG2 3.48Å; L69-V71 PolarHBondContact O-N 2.99Å; L69-K81 HydrophobicContact CD2-CD 3.86Å; L69-V86 HydrophobicContact CD1-CG1 4.19Å; L69-V86 HydrophobicContact CD2-CG2 4.25Å; L69-E89 VanDerWaalsContact CD2-OE2 3.23Å; L69-E89 WeakPolarHBondContact CD2-OE2 3.2Å; L69-E89 WeakPolarHBondContact CG-OE2 3.16Å; L69-L174 CarbonylContact C-O 3.52Å; L69-L174 CarbonylContact O-C 3.22Å; L69-L174 PolarHBondContact O-N 3.26Å; L69-Y176 HydrophobicContact CB-CD2 3.63Å; L69-Y176 HydrophobicContact CB-CE2 3.36Å; L69-Y176 HydrophobicContact CD1-CD2 3.49Å; L69-Y176 VanDerWaalsContact CD1-CD2 3.49Å; L69-Y176 HydrophobicContact CD1-CE2 3.47Å; L69-Y176 VanDerWaalsContact CD1-CE2 3.47Å; L69-Y176 HydrophobicContact CG-CD2 4.18Å; L69-Y176 HydrophobicContact CG-CE2 3.98Å |
| 70 | E | 24.4 | Very low | 28.8 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | trans | -54.7 | 112.7 | 174.4 | -67.2 | -170.2 | 140.5 | 0 | 0 | 110.5 | F75 K173 | E70-F75 VanDerWaalsContact O-CE2 3.29Å; E70-F75 WeakPolarHBondContact O-CE2 3.41Å; E70-K173 HydrophobicContact CG-CB 4.42Å; E70-K173 HydrophobicContact CG-CD 4.27Å; E70-K173 HydrophobicContact CG-CG 4.04Å; E70-K173 WeakPolarHBondContact OE1-CE 3.3Å | ||
| 71 | V | 30.1 | Very low | 30.2 | Very low | 8 Ų | 8 | 114 Ų | 114 | 5% | 0.048 | 54% | 0.535 | C | S | . | . | trans | -130.8 | 98.5 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | L69 F75 T172 L174 Y176 | L69-V71 HydrophobicContact CB-CG2 4.26Å; L69-V71 WeakPolarHBondContact O-CG2 3.48Å; L69-V71 PolarHBondContact O-N 2.99Å; V71-F75 HydrophobicContact CB-CB 4.47Å; V71-F75 HydrophobicContact CB-CD1 4.42Å; V71-F75 HydrophobicContact CB-CD2 3.53Å; V71-F75 HydrophobicContact CB-CE1 4.38Å; V71-F75 HydrophobicContact CB-CE2 3.49Å; V71-F75 VanDerWaalsContact CB-CE2 3.49Å; V71-F75 HydrophobicContact CB-CG 3.99Å; V71-F75 HydrophobicContact CB-CZ 3.91Å; V71-F75 HydrophobicContact CG1-CB 3.52Å; V71-F75 HydrophobicContact CG1-CD1 3.39Å; V71-F75 HydrophobicContact CG1-CD2 3.28Å; V71-F75 HydrophobicContact CG1-CE1 3.62Å; V71-F75 HydrophobicContact CG1-CE2 3.53Å; V71-F75 HydrophobicContact CG1-CG 3.17Å; V71-F75 HydrophobicContact CG1-CZ 3.67Å; V71-F75 HydrophobicContact CG2-CD2 3.83Å; V71-F75 HydrophobicContact CG2-CE1 4.04Å; V71-F75 HydrophobicContact CG2-CE2 3.19Å; V71-F75 HydrophobicContact CG2-CG 4.45Å; V71-F75 HydrophobicContact CG2-CZ 3.29Å; V71-T172 CarbonylContact C-O 3.5Å; V71-T172 CarbonylContact O-C 3.52Å; V71-L174 HydrophobicContact CB-CB 3.52Å; V71-L174 HydrophobicContact CB-CD1 3.38Å; V71-L174 HydrophobicContact CB-CG 3.38Å; V71-L174 HydrophobicContact CG1-CB 4.21Å; V71-L174 HydrophobicContact CG1-CD1 3.02Å; V71-L174 HydrophobicContact CG1-CG 3.64Å; V71-L174 HydrophobicContact CG2-CB 3.88Å; V71-L174 HydrophobicContact CG2-CD1 4.18Å; V71-L174 HydrophobicContact CG2-CG 4.25Å; V71-L174 WeakPolarHBondContact O-CG 3.41Å; V71-L174 PolarHBondContact O-N 3.4Å; V71-Y176 HydrophobicContact CG2-CE2 4Å; V71-Y176 WeakPolarHBondContact CG2-OH 3.47Å | ||
| 72 | T | 26 | Very low | 32 | Very low | 35 Ų | 35 | 107.5 Ų | 107.5 | 22% | 0.215 | 51% | 0.514 | C | S | . | . | trans | -79 | 164 | 179.8 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | E74 F75 T172 | T72-E74 PolarHBondContact O-N 3.22Å; T72-E74 VanDerWaalsContact O-N 3.07Å; T72-E74 WeakPolarHBondContact OG1-CB 3.22Å; T72-F75 WeakPolarHBondContact O-CA 3.49Å; T72-F75 WeakPolarHBondContact O-CB 3.4Å; T72-F75 PolarHBondContact O-N 2.74Å; T72-T172 WeakPolarHBondContact CA-O 3.48Å; T72-T172 WeakPolarHBondContact CG2-O 3.21Å; T72-T172 PolarHBondContact N-O 3.06Å | ||
| 73 | D | 26.3 | Very low | 34 | Very low | 131 Ų | 131 | 101 Ų | 101 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.4 | 165 | -73.1 | -45.2 | 0 | 0 | 0 | 111.3 | F75 | D73-F75 VanDerWaalsContact C-N 3.28Å; D73-F75 PolarHBondContact O-N 2.93Å |
| 74 | E | 27.2 | Very low | 36.3 | Very low | 126 Ų | 126 | 93.6 Ų | 93.6 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 3.1 | 165.5 | -62.4 | -171.7 | 138.2 | 0 | 0 | 114.9 | T72 L76 F77 K78 | T72-E74 PolarHBondContact O-N 3.22Å; T72-E74 VanDerWaalsContact O-N 3.07Å; T72-E74 WeakPolarHBondContact OG1-CB 3.22Å; E74-L76 PolarHBondContact O-N 2.74Å; E74-F77 PolarHBondContact O-N 3.25Å; E74-K78 PolarHBondContact O-N 3.31Å |
| 75 | F | 30.7 | Very low | 38.5 | Very low | 38 Ų | 38 | 90.9 Ų | 90.9 | 17% | 0.167 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.9 | -172.3 | -163.7 | -109.8 | 0 | 0 | 0 | 114.6 | E70 V71 T72 D73 S80 V86 | E70-F75 VanDerWaalsContact O-CE2 3.29Å; E70-F75 WeakPolarHBondContact O-CE2 3.41Å; V71-F75 HydrophobicContact CB-CB 4.47Å; V71-F75 HydrophobicContact CB-CD1 4.42Å; V71-F75 HydrophobicContact CB-CD2 3.53Å; V71-F75 HydrophobicContact CB-CE1 4.38Å; V71-F75 HydrophobicContact CB-CE2 3.49Å; V71-F75 VanDerWaalsContact CB-CE2 3.49Å; V71-F75 HydrophobicContact CB-CG 3.99Å; V71-F75 HydrophobicContact CB-CZ 3.91Å; V71-F75 HydrophobicContact CG1-CB 3.52Å; V71-F75 HydrophobicContact CG1-CD1 3.39Å; V71-F75 HydrophobicContact CG1-CD2 3.28Å; V71-F75 HydrophobicContact CG1-CE1 3.62Å; V71-F75 HydrophobicContact CG1-CE2 3.53Å; V71-F75 HydrophobicContact CG1-CG 3.17Å; V71-F75 HydrophobicContact CG1-CZ 3.67Å; V71-F75 HydrophobicContact CG2-CD2 3.83Å; V71-F75 HydrophobicContact CG2-CE1 4.04Å; V71-F75 HydrophobicContact CG2-CE2 3.19Å; V71-F75 HydrophobicContact CG2-CG 4.45Å; V71-F75 HydrophobicContact CG2-CZ 3.29Å; T72-F75 WeakPolarHBondContact O-CA 3.49Å; T72-F75 WeakPolarHBondContact O-CB 3.4Å; T72-F75 PolarHBondContact O-N 2.74Å; D73-F75 VanDerWaalsContact C-N 3.28Å; D73-F75 PolarHBondContact O-N 2.93Å; F75-S80 WeakPolarHBondContact CA-OG 3.05Å; F75-S80 WeakPolarHBondContact CD2-OG 3.26Å; F75-S80 WeakPolarHBondContact CG-OG 3.16Å; F75-V86 HydrophobicContact CE1-CG2 4.41Å; F75-V86 HydrophobicContact CZ-CG2 3.89Å |
| 76 | L | 33 | Very low | 40.6 | Very low | 133 Ų | 133 | 82.2 Ų | 82.2 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -13.3 | 172.8 | -76.6 | 163.9 | 0 | 0 | 0 | 113.3 | E74 | E74-L76 PolarHBondContact O-N 2.74Š|
| 77 | F | 30.2 | Very low | 42.9 | Very low | 171 Ų | 171 | 75.7 Ų | 75.7 | 75% | 0.75 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | -18.3 | -158.9 | -82.2 | -74.8 | 0 | 0 | 0 | 120.4 | E74 | E74-F77 PolarHBondContact O-N 3.25Š|
| 78 | K | 30 | Very low | 45.1 | Very low | 185 Ų | 185 | 77.3 Ų | 77.3 | 80% | 0.804 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -155.2 | -27.3 | 179.1 | -108.6 | 141.5 | -169.8 | -168.5 | 0 | 122.1 | E74 | E74-K78 PolarHBondContact O-N 3.31Š|
| 79 | R | 31.6 | Very low | 47 | Very low | 245 Ų | 245 | 75.9 Ų | 75.9 | 93% | 0.925 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -150.6 | 21 | -168.8 | -77.9 | -164.7 | 172.6 | 167.2 | -2.7 | 118.8 | ||
| 80 | S | 46.3 | Very low | 48.9 | Very low | 38 Ų | 38 | 76.3 Ų | 76.3 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -123 | 157.8 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 113 | F75 | F75-S80 WeakPolarHBondContact CA-OG 3.05Å; F75-S80 WeakPolarHBondContact CD2-OG 3.26Å; F75-S80 WeakPolarHBondContact CG-OG 3.16Å |
| 81 | K | 56.8 | Low | 51 | Low | 98 Ų | 98 | 74.2 Ų | 74.2 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | trans | -48 | 135.8 | -172.2 | -68.9 | -180 | -172.4 | 173.9 | 0 | 111.7 | L69 C85 E89 | L69-K81 HydrophobicContact CD2-CD 3.86Å; K81-C85 HydrophobicContact CB-CB 4.25Å; K81-E89 WeakPolarHBondContact CD-OE1 3.29Å; K81-E89 WeakPolarHBondContact CE-OE1 3.1Å; K81-E89 IonicContact NZ-OE1 2.69Å; K81-E89 PolarHBondContact NZ-OE1 3.2Å; K81-E89 IonicContact NZ-OE2 3.88Å; K81-E89 PolarHBondContact NZ-OE2 3.31Å | ||
| 82 | P | 63.6 | Low | 52.7 | Low | 64 Ų | 64 | 80.8 Ų | 80.8 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | trans | -52 | 142.4 | 175.5 | -28.2 | 35 | 0 | 0 | 0 | 112 | I84 C85 V86 | P82-I84 HydrophobicContact CB-CG2 3.73Å; P82-I84 PolarHBondContact O-N 3Å; P82-C85 WeakPolarHBondContact O-CA 3.4Å; P82-C85 VanDerWaalsContact O-CB 3.24Å; P82-C85 WeakPolarHBondContact O-CB 3.33Å; P82-C85 PolarHBondContact O-N 2.66Å; P82-V86 PolarHBondContact O-N 3.02Å | ||
| 83 | P | 68.1 | Low | 54.3 | Low | 16 Ų | 16 | 82.4 Ų | 82.4 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -49.8 | -34.4 | 176 | -30.1 | 35.3 | 0 | 0 | 0 | 113.4 | C85 V86 I87 H141 A144 C145 L148 | P83-C85 VanDerWaalsContact C-N 3.34Å; P83-C85 PolarHBondContact O-N 3.38Å; P83-V86 WeakPolarHBondContact O-CB 3.4Å; P83-V86 PolarHBondContact O-N 3.33Å; P83-I87 WeakPolarHBondContact O-CG1 3.17Å; P83-I87 PolarHBondContact O-N 3.01Å; P83-H141 WeakPolarHBondContact CD-CE1 3.49Å; P83-A144 HydrophobicContact CB-CB 3.84Å; P83-C145 VanDerWaalsContact CG-SG 3.53Å; P83-L148 HydrophobicContact CB-CD1 3.98Å |
| 84 | I | 74.3 | Confident | 55.7 | Low | 34 Ų | 34 | 76.4 Ų | 76.4 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 174.4 | -169.5 | 63.7 | 0 | 0 | 0 | 112.1 | P82 I87 H88 L100 M118 A144 | P82-I84 HydrophobicContact CB-CG2 3.73Å; P82-I84 PolarHBondContact O-N 3Å; I84-I87 PolarHBondContact O-N 3.48Å; I84-H88 PolarHBondContact O-N 3.48Å; I84-H88 VanDerWaalsContact O-N 3.1Å; I84-H88 PolarHBondContact O-ND1 2.78Å; I84-L100 HydrophobicContact CD1-CD1 4.17Å; I84-M118 HydrophobicContact CD1-CE 3.43Å; I84-M118 VanDerWaalsContact CD1-CE 3.43Å; I84-A144 HydrophobicContact CB-CB 4.31Å; I84-A144 HydrophobicContact CD1-CB 4.37Å |
| 85 | C | 73.3 | Confident | 57.1 | Low | 49 Ų | 49 | 74 Ų | 74 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 175.7 | -63 | 0 | 0 | 0 | 0 | 111.2 | K81 P82 P83 I87 H88 E89 | K81-C85 HydrophobicContact CB-CB 4.25Å; P82-C85 WeakPolarHBondContact O-CA 3.4Å; P82-C85 VanDerWaalsContact O-CB 3.24Å; P82-C85 WeakPolarHBondContact O-CB 3.33Å; P82-C85 PolarHBondContact O-N 2.66Å; P83-C85 VanDerWaalsContact C-N 3.34Å; P83-C85 PolarHBondContact O-N 3.38Å; C85-I87 VanDerWaalsContact C-N 3.3Å; C85-I87 PolarHBondContact O-N 3.04Å; C85-H88 PolarHBondContact O-N 2.84Å; C85-E89 WeakPolarHBondContact O-CG 3.47Å; C85-E89 PolarHBondContact O-N 3.07Å |
| 86 | V | 70 | Confident | 58.7 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | L69 F75 P82 P83 E89 L90 L148 Y176 | L69-V86 HydrophobicContact CD1-CG1 4.19Å; L69-V86 HydrophobicContact CD2-CG2 4.25Å; F75-V86 HydrophobicContact CE1-CG2 4.41Å; F75-V86 HydrophobicContact CZ-CG2 3.89Å; P82-V86 PolarHBondContact O-N 3.02Å; P83-V86 WeakPolarHBondContact O-CB 3.4Å; P83-V86 PolarHBondContact O-N 3.33Å; V86-E89 PolarHBondContact O-N 3.46Å; V86-L90 HydrophobicContact CG1-CD1 4.27Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.92Å; V86-L148 HydrophobicContact CB-CD1 4.13Å; V86-L148 HydrophobicContact CB-CD2 4.5Å; V86-L148 HydrophobicContact CG1-CD1 4.14Å; V86-L148 HydrophobicContact CG1-CD2 3.89Å; V86-Y176 HydrophobicContact CG1-CE2 4.29Å |
| 87 | I | 74.9 | Confident | 60.4 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 177.2 | -68.4 | 178.9 | 0 | 0 | 0 | 112.4 | P83 I84 C85 E89 L90 E91 V98 M118 I120 A144 M147 L148 | P83-I87 WeakPolarHBondContact O-CG1 3.17Å; P83-I87 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 3.48Å; C85-I87 VanDerWaalsContact C-N 3.3Å; C85-I87 PolarHBondContact O-N 3.04Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.72Å; I87-L90 CarbonylContact O-C 3.44Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; I87-E91 PolarHBondContact O-N 2.88Å; I87-V98 HydrophobicContact CG2-CB 4.23Å; I87-V98 HydrophobicContact CG2-CG1 3.65Å; I87-V98 HydrophobicContact CG2-CG2 3.53Å; I87-M118 HydrophobicContact CD1-CE 3.88Å; I87-M118 HydrophobicContact CD1-SD 3.39Å; I87-M118 WeakPolarHBondContact CD1-SD 3.47Å; I87-M118 HydrophobicContact CG2-SD 4.36Å; I87-I120 HydrophobicContact CG2-CD1 4.01Å; I87-A144 VanDerWaalsContact CD1-CA 3.41Å; I87-A144 HydrophobicContact CD1-CB 3.54Å; I87-A144 WeakPolarHBondContact CD1-O 3.33Å; I87-M147 HydrophobicContact CD1-CB 3.85Å; I87-M147 HydrophobicContact CD1-CG 4.04Å; I87-L148 HydrophobicContact CD1-CG 4.14Å; I87-L148 HydrophobicContact CG1-CD1 4.37Å; I87-L148 HydrophobicContact CG1-CD2 3.72Å; I87-L148 HydrophobicContact CG1-CG 3.82Å |
| 88 | H | 74.1 | Confident | 62.4 | Low | 77 Ų | 77 | 62.7 Ų | 62.7 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 175.6 | -71 | 88.8 | 0 | 0 | 0 | 111.9 | I84 C85 E91 H92 | I84-H88 PolarHBondContact O-N 3.48Å; I84-H88 VanDerWaalsContact O-N 3.1Å; I84-H88 PolarHBondContact O-ND1 2.78Å; C85-H88 PolarHBondContact O-N 2.84Å; H88-E91 IonicContact CD2-OE2 2.66Å; H88-E91 VanDerWaalsContact O-CB 3.24Å; H88-E91 WeakPolarHBondContact O-CB 3.16Å; H88-E91 PolarHBondContact O-N 2.78Å; H88-H92 PolarHBondContact O-CD2 3.16Å; H88-H92 PolarHBondContact O-N 3.4Å |
| 89 | E | 67.9 | Low | 64.5 | Low | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 171.4 | -73.7 | 175.8 | -157.2 | 0 | 0 | 110.3 | L69 K81 C85 V86 I87 E91 H92 H93 | L69-E89 VanDerWaalsContact CD2-OE2 3.23Å; L69-E89 WeakPolarHBondContact CD2-OE2 3.2Å; L69-E89 WeakPolarHBondContact CG-OE2 3.16Å; K81-E89 WeakPolarHBondContact CD-OE1 3.29Å; K81-E89 WeakPolarHBondContact CE-OE1 3.1Å; K81-E89 IonicContact NZ-OE1 2.69Å; K81-E89 PolarHBondContact NZ-OE1 3.2Å; K81-E89 IonicContact NZ-OE2 3.88Å; K81-E89 PolarHBondContact NZ-OE2 3.31Å; C85-E89 WeakPolarHBondContact O-CG 3.47Å; C85-E89 PolarHBondContact O-N 3.07Å; V86-E89 PolarHBondContact O-N 3.46Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 2.72Å; E89-E91 VanDerWaalsContact C-N 3.27Å; E89-E91 PolarHBondContact O-N 2.92Å; E89-H92 PolarHBondContact O-N 3.06Å; E89-H92 VanDerWaalsContact O-N 3.16Å; E89-H93 PolarHBondContact O-CD2 3.43Å; E89-H93 PolarHBondContact O-N 3.24Å |
| 90 | L | 67.3 | Low | 66.5 | Low | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 173.7 | -68.3 | 170.9 | 0 | 0 | 0 | 112.8 | V86 I87 H92 H93 L94 L148 L151 I157 | V86-L90 HydrophobicContact CG1-CD1 4.27Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.92Å; I87-L90 CarbonylContact O-C 3.44Å; I87-L90 WeakPolarHBondContact O-CB 3.42Å; I87-L90 PolarHBondContact O-N 3.3Å; L90-H92 PolarHBondContact O-N 3.12Å; L90-H93 PolarHBondContact O-N 3.3Å; L90-L94 HydrophobicContact CB-CD1 4.19Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CA 3.44Å; L90-L94 VanDerWaalsContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CB 2.98Å; L90-L94 PolarHBondContact O-N 3.33Å; L90-L148 HydrophobicContact CD1-CD2 3.52Å; L90-L151 HydrophobicContact CD1-CD1 4.39Å; L90-I157 HydrophobicContact CD1-CD1 3.45Å; L90-I157 VanDerWaalsContact CD1-CD1 3.45Å; L90-I157 HydrophobicContact CD2-CD1 3.78Å; L90-I157 HydrophobicContact CG-CD1 4.2Å |
| 91 | E | 69.6 | Low | 67.7 | Low | 57 Ų | 57 | 47.3 Ų | 47.3 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54 | -52.4 | 172.5 | -163.2 | -176 | 175.6 | 0 | 0 | 110.8 | I87 H88 E89 C95 I96 V98 | I87-E91 PolarHBondContact O-N 2.88Å; H88-E91 IonicContact CD2-OE2 2.66Å; H88-E91 VanDerWaalsContact O-CB 3.24Å; H88-E91 WeakPolarHBondContact O-CB 3.16Å; H88-E91 PolarHBondContact O-N 2.78Å; E89-E91 VanDerWaalsContact C-N 3.27Å; E89-E91 PolarHBondContact O-N 2.92Å; E91-C95 WeakPolarHBondContact O-CA 3.43Å; E91-C95 PolarHBondContact O-N 2.85Å; E91-C95 VanDerWaalsContact O-N 3.16Å; E91-I96 WeakPolarHBondContact CA-O 3.35Å; E91-I96 WeakPolarHBondContact CG-O 3.41Å; E91-I96 PolarHBondContact O-N 3.47Å; E91-V98 HydrophobicContact CB-CG2 3.73Å; E91-V98 HydrophobicContact CG-CB 4.12Å; E91-V98 HydrophobicContact CG-CG2 3.74Å |
| 92 | H | 66.3 | Low | 68.1 | Low | 147 Ų | 147 | 44.7 Ų | 44.7 | 68% | 0.681 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 179.3 | -72.9 | -62.1 | 0 | 0 | 0 | 112.6 | H88 E89 L90 | H88-H92 PolarHBondContact O-CD2 3.16Å; H88-H92 PolarHBondContact O-N 3.4Å; E89-H92 PolarHBondContact O-N 3.06Å; E89-H92 VanDerWaalsContact O-N 3.16Å; L90-H92 PolarHBondContact O-N 3.12Å |
| 93 | H | 58.2 | Low | 67.9 | Low | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -83.4 | -42.4 | -173.3 | -62 | -55.1 | 0 | 0 | 0 | 113.1 | V67 E89 L90 C95 F181 | V67-H93 VanDerWaalsContact CG2-CD2 3.48Å; V67-H93 WeakPolarHBondContact CG2-CD2 3.36Å; V67-H93 WeakPolarHBondContact CG2-CE1 3.33Å; V67-H93 WeakPolarHBondContact CG2-ND1 2.97Å; V67-H93 WeakPolarHBondContact CG2-NE2 3.31Å; E89-H93 PolarHBondContact O-CD2 3.43Å; E89-H93 PolarHBondContact O-N 3.24Å; L90-H93 PolarHBondContact O-N 3.3Å; H93-C95 VanDerWaalsContact C-N 3.3Å; H93-C95 PolarHBondContact O-N 3.49Å; H93-F181 HydrophobicContact CB-CE1 4.06Å; H93-F181 HydrophobicContact CB-CZ 3.66Å; H93-F181 WeakPolarHBondContact O-CE1 3.25Å; H93-F181 WeakPolarHBondContact O-CZ 3.33Å |
| 94 | L | 56.5 | Low | 67.2 | Low | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.9 | -2.1 | 179.7 | -62.2 | 172.2 | 0 | 0 | 0 | 112.6 | L90 I96 N123 I157 S178 V180 F181 | L90-L94 HydrophobicContact CB-CD1 4.19Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CA 3.44Å; L90-L94 VanDerWaalsContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CB 2.98Å; L90-L94 PolarHBondContact O-N 3.33Å; L94-I96 HydrophobicContact CB-CB 4.39Å; L94-I96 HydrophobicContact CB-CD1 3.45Å; L94-I96 VanDerWaalsContact CB-CD1 3.45Å; L94-I96 HydrophobicContact CB-CG1 3.59Å; L94-I96 HydrophobicContact CD1-CD1 3.61Å; L94-I96 HydrophobicContact CG-CD1 4.14Å; L94-I96 PolarHBondContact O-N 3.4Å; L94-N123 PolarHBondContact O-ND2 2.89Å; L94-I157 HydrophobicContact CD1-CD1 3.99Å; L94-I157 HydrophobicContact CD1-CG1 4.18Å; L94-S178 VanDerWaalsContact CD2-CB 3.49Å; L94-V180 HydrophobicContact CD2-CB 4.31Å; L94-F181 HydrophobicContact CD2-CD2 4.18Å; L94-F181 HydrophobicContact CD2-CE2 3.35Å; L94-F181 HydrophobicContact CD2-CZ 3.55Å; L94-F181 HydrophobicContact CG-CE2 4.28Å; L94-F181 HydrophobicContact CG-CZ 4.15Å |
| 95 | C | 56.4 | Low | 66.1 | Low | 75 Ų | 75 | 54.1 Ų | 54.1 | 51% | 0.507 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 43.9 | -167.9 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E91 H93 R184 | E91-C95 WeakPolarHBondContact O-CA 3.43Å; E91-C95 PolarHBondContact O-N 2.85Å; E91-C95 VanDerWaalsContact O-N 3.16Å; H93-C95 VanDerWaalsContact C-N 3.3Å; H93-C95 PolarHBondContact O-N 3.49Å; C95-R184 VanDerWaalsContact CB-NH2 3.34Å; C95-R184 PolarHBondContact SG-NH1 2.97Å |
| 96 | I | 64.1 | Low | 64.9 | Low | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 141.4 | 173.4 | -61.9 | 169.7 | 0 | 0 | 0 | 106.7 | E91 L94 I120 T121 V125 | E91-I96 WeakPolarHBondContact CA-O 3.35Å; E91-I96 WeakPolarHBondContact CG-O 3.41Å; E91-I96 PolarHBondContact O-N 3.47Å; L94-I96 HydrophobicContact CB-CB 4.39Å; L94-I96 HydrophobicContact CB-CD1 3.45Å; L94-I96 VanDerWaalsContact CB-CD1 3.45Å; L94-I96 HydrophobicContact CB-CG1 3.59Å; L94-I96 HydrophobicContact CD1-CD1 3.61Å; L94-I96 HydrophobicContact CG-CD1 4.14Å; L94-I96 PolarHBondContact O-N 3.4Å; I96-I120 HydrophobicContact CB-CG2 4.32Å; I96-I120 HydrophobicContact CD1-CG2 4.19Å; I96-I120 HydrophobicContact CG2-CB 4.17Å; I96-I120 HydrophobicContact CG2-CG2 3.22Å; I96-T121 VanDerWaalsContact CG2-C 3.49Å; I96-V125 HydrophobicContact CD1-CB 4.44Å |
| 97 | S | 69.7 | Low | 63.8 | Low | 71 Ų | 71 | 64.5 Ų | 64.5 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.4 | 170.8 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | I120 T121 | S97-I120 WeakPolarHBondContact O-CA 3.27Å; S97-T121 WeakPolarHBondContact CB-O 3.32Å; S97-T121 PolarHBondContact N-O 2.73Å; S97-T121 PolarHBondContact O-N 3.35Å |
| 98 | V | 71.7 | Confident | 62.6 | Low | 23 Ų | 23 | 74.9 Ų | 74.9 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.8 | 173.8 | 179 | 0 | 0 | 0 | 0 | 108.2 | I87 E91 M118 H119 I120 | I87-V98 HydrophobicContact CG2-CB 4.23Å; I87-V98 HydrophobicContact CG2-CG1 3.65Å; I87-V98 HydrophobicContact CG2-CG2 3.53Å; E91-V98 HydrophobicContact CB-CG2 3.73Å; E91-V98 HydrophobicContact CG-CB 4.12Å; E91-V98 HydrophobicContact CG-CG2 3.74Å; V98-M118 HydrophobicContact CG1-CG 4.44Å; V98-H119 CarbonylContact C-O 3.6Å; V98-H119 WeakPolarHBondContact CA-O 2.9Å; V98-I120 HydrophobicContact CG1-CG1 4.47Å; V98-I120 HydrophobicContact CG2-CD1 4.26Å; V98-I120 HydrophobicContact CG2-CG1 4.03Å |
| 99 | G | 73 | Confident | 61.6 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 16% | 0.155 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 151 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M118 H119 | G99-M118 WeakPolarHBondContact O-CA 3.27Å; G99-H119 VanDerWaalsContact CA-CE1 3.49Å; G99-H119 WeakPolarHBondContact CA-CE1 3.45Å; G99-H119 VanDerWaalsContact CA-NE2 3.34Å; G99-H119 WeakPolarHBondContact CA-NE2 3.43Å; G99-H119 PolarHBondContact N-O 3.49Å; G99-H119 PolarHBondContact O-N 3.19Å |
| 100 | L | 73.6 | Confident | 60.8 | Low | 54 Ų | 54 | 81.4 Ų | 81.4 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 102.7 | -177.3 | -74.9 | 166.8 | 0 | 0 | 0 | 109.9 | I84 I116 M118 | I84-L100 HydrophobicContact CD1-CD1 4.17Å; L100-I116 HydrophobicContact CD2-CG2 4Å; L100-M118 HydrophobicContact CD2-CB 3.76Å; L100-M118 HydrophobicContact CD2-CE 3.4Å; L100-M118 HydrophobicContact CD2-CG 3.87Å; L100-M118 HydrophobicContact CD2-SD 4.47Å; L100-M118 HydrophobicContact CG-CE 4.38Å |
| 101 | D | 73.1 | Confident | 60.3 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.5 | 174.9 | -59.7 | -45 | 0 | 0 | 0 | 109.4 | R103 Q117 H119 | D101-R103 PolarHBondContact O-N 3.19Å; D101-Q117 HydrophobicContact CB-CB 4.25Å; D101-Q117 PolarHBondContact N-O 3.05Å; D101-Q117 PolarHBondContact O-N 3.47Å; D101-H119 IonicContact OD1-CE1 3.12Å; D101-H119 IonicContact OD2-CE1 3.52Å; D101-H119 PolarHBondContact OD2-CE1 3.3Å; D101-H119 IonicContact OD2-ND1 3.02Å; D101-H119 PolarHBondContact OD2-ND1 2.76Å; D101-H119 VanDerWaalsContact OD2-ND1 3.12Å |
| 102 | C | 63.6 | Low | 60.1 | Low | 44 Ų | 44 | 87.8 Ų | 87.8 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.1 | 175.7 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | C104 I116 | C102-C104 PolarHBondContact O-N 3.38Å; C102-C104 VanDerWaalsContact SG-SG 3.68Å; C102-I116 HydrophobicContact CB-CG1 4.49Å |
| 103 | R | 61.5 | Low | 60.1 | Low | 159 Ų | 159 | 85.9 Ų | 85.9 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 98 | 168.3 | -67.5 | -169.7 | -178 | -166.1 | -0.3 | 108.6 | D101 N105 T115 | D101-R103 PolarHBondContact O-N 3.19Å; R103-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact O-N 3.15Å; R103-T115 CarbonylContact C-O 3.56Å; R103-T115 WeakPolarHBondContact CA-O 3.41Å; R103-T115 PolarHBondContact N-O 3.27Å; R103-T115 WeakPolarHBondContact O-CB 3.23Å; R103-T115 PolarHBondContact O-N 3.03Å; R103-T115 VanDerWaalsContact O-N 3.11Å |
| 104 | C | 52.3 | Low | 60.4 | Low | 58 Ų | 58 | 85.1 Ų | 85.1 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | trans | -78.7 | 92 | 167.8 | -62.9 | 0 | 0 | 0 | 0 | 107.9 | C102 F106 | C102-C104 PolarHBondContact O-N 3.38Å; C102-C104 VanDerWaalsContact SG-SG 3.68Å; C104-F106 VanDerWaalsContact C-N 3.3Å; C104-F106 HydrophobicContact CB-CD2 3.99Å; C104-F106 HydrophobicContact CB-CE2 3.85Å; C104-F106 PolarHBondContact O-N 3.3Å | ||
| 105 | N | 50.4 | Low | 61.2 | Low | 94 Ų | 94 | 86 Ų | 86 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | trans | -71.4 | 99.4 | 159.1 | -73.9 | 1.1 | 0 | 0 | 0 | 105.8 | R103 D107 | R103-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact O-N 3.15Å; N105-D107 PolarHBondContact O-N 2.63Å | ||
| 106 | F | 48.1 | Very low | 61.8 | Low | 164 Ų | 164 | 82.4 Ų | 82.4 | 72% | 0.719 | 42% | 0.42 | S | S | * | . | trans | -71.9 | 67.5 | 164.3 | -79.6 | -85.9 | 0 | 0 | 0 | 107.9 | C104 K108 | C104-F106 VanDerWaalsContact C-N 3.3Å; C104-F106 HydrophobicContact CB-CD2 3.99Å; C104-F106 HydrophobicContact CB-CE2 3.85Å; C104-F106 PolarHBondContact O-N 3.3Å; F106-K108 PolarHBondContact O-N 3.04Å | ||
| 107 | D | 48.4 | Very low | 62.6 | Low | 103 Ų | 103 | 84.3 Ų | 84.3 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | trans | -66.3 | 122.6 | 162.7 | -79.3 | -30.4 | 0 | 0 | 0 | 106.5 | N105 S109 | N105-D107 PolarHBondContact O-N 2.63Å; D107-S109 WeakPolarHBondContact CB-OG 3.35Å; D107-S109 PolarHBondContact O-N 3.47Å | ||
| 108 | K | 49.9 | Very low | 62.9 | Low | 218 Ų | 218 | 80.9 Ų | 80.9 | 95% | 0.948 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -65.2 | -2.4 | 177.4 | -67.1 | 179.3 | 180 | 176.7 | 0 | 111.8 | F106 | F106-K108 PolarHBondContact O-N 3.04Š|
| 109 | S | 52.6 | Low | 63.4 | Low | 77 Ų | 77 | 82.4 Ų | 82.4 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -78.2 | 120.4 | 171 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | D107 P111 | D107-S109 WeakPolarHBondContact CB-OG 3.35Å; D107-S109 PolarHBondContact O-N 3.47Å; S109-P111 CarbonylContact O-C 3.47Å |
| 110 | F | 51.8 | Low | 63.4 | Low | 179 Ų | 179 | 81.8 Ų | 81.8 | 79% | 0.785 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.4 | 140.6 | 161.9 | -101.3 | -97.4 | 0 | 0 | 0 | 109.1 | ||
| 111 | P | 56.7 | Low | 63.1 | Low | 82 Ų | 82 | 82 Ų | 82 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | S | Bend | cis | -84.8 | 136.3 | 0.4 | 31.8 | -31.2 | 0 | 0 | 0 | 112.6 | S109 Q113 | S109-P111 CarbonylContact O-C 3.47Å; P111-Q113 WeakPolarHBondContact O-CG 3.12Å; P111-Q113 PolarHBondContact O-N 2.87Å; P111-Q113 VanDerWaalsContact O-N 3.1Å |
| 112 | K | 64.1 | Low | 62.6 | Low | 121 Ų | 121 | 79.4 Ų | 79.4 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 117.4 | 175.1 | -68 | 179.2 | -178.1 | 175.7 | 0 | 110.2 | ||
| 113 | Q | 65.8 | Low | 62.3 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 145.3 | 173.3 | -61.6 | -171.1 | -0.4 | 0 | 0 | 110 | P111 A133 | P111-Q113 WeakPolarHBondContact O-CG 3.12Å; P111-Q113 PolarHBondContact O-N 2.87Å; P111-Q113 VanDerWaalsContact O-N 3.1Å; Q113-A133 CarbonylContact C-O 3.52Å; Q113-A133 WeakPolarHBondContact CA-O 3.44Å |
| 114 | Q | 65.7 | Low | 62.1 | Low | 53 Ų | 53 | 80 Ų | 80 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.7 | 173.5 | -63.3 | -167.1 | 0.7 | 0 | 0 | 109.1 | T132 A133 A139 | Q114-T132 WeakPolarHBondContact O-CA 3.37Å; Q114-A133 PolarHBondContact N-O 3.16Å; Q114-A133 PolarHBondContact O-N 3.23Å; Q114-A139 WeakPolarHBondContact O-CB 3.18Å |
| 115 | T | 72.1 | Confident | 62.5 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 14% | 0.135 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.3 | 179.3 | -50.1 | 0 | 0 | 0 | 0 | 108.8 | R103 V130 A131 T132 | R103-T115 CarbonylContact C-O 3.56Å; R103-T115 WeakPolarHBondContact CA-O 3.41Å; R103-T115 PolarHBondContact N-O 3.27Å; R103-T115 WeakPolarHBondContact O-CB 3.23Å; R103-T115 PolarHBondContact O-N 3.03Å; R103-T115 VanDerWaalsContact O-N 3.11Å; T115-V130 HydrophobicContact CG2-CG1 3.54Å; T115-A131 CarbonylContact C-O 3.57Å; T115-A131 WeakPolarHBondContact CA-O 3.45Å; T115-T132 HydrophobicContact CG2-CG2 3.78Å; T115-T132 WeakPolarHBondContact OG1-CG2 3.24Å |
| 116 | I | 70.4 | Confident | 63.4 | Low | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.5 | 175.1 | -64.7 | -171.2 | 0 | 0 | 0 | 108.7 | L100 C102 V130 A131 K136 A139 K140 A143 | L100-I116 HydrophobicContact CD2-CG2 4Å; C102-I116 HydrophobicContact CB-CG1 4.49Å; I116-V130 CarbonylContact O-C 3.5Å; I116-V130 WeakPolarHBondContact O-CA 3.46Å; I116-A131 PolarHBondContact N-O 3.29Å; I116-A131 PolarHBondContact O-N 2.84Å; I116-K136 HydrophobicContact CD1-CG 3.73Å; I116-K136 VanDerWaalsContact CD1-O 3.31Å; I116-K136 WeakPolarHBondContact CD1-O 3.31Å; I116-A139 HydrophobicContact CB-CB 4.08Å; I116-A139 HydrophobicContact CD1-CB 3.78Å; I116-A139 HydrophobicContact CG1-CB 3.72Å; I116-K140 HydrophobicContact CD1-CB 4.18Å; I116-K140 HydrophobicContact CD1-CD 4.35Å; I116-K140 HydrophobicContact CD1-CG 3.25Å; I116-K140 HydrophobicContact CG2-CG 4.37Å; I116-A143 HydrophobicContact CG2-CB 4.4Å |
| 117 | Q | 79.8 | Confident | 64.4 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.2 | 170.8 | 178.2 | 171.6 | 6.8 | 0 | 0 | 107.8 | D101 T129 V130 | D101-Q117 HydrophobicContact CB-CB 4.25Å; D101-Q117 PolarHBondContact N-O 3.05Å; D101-Q117 PolarHBondContact O-N 3.47Å; Q117-T129 CarbonylContact C-O 3.58Å; Q117-T129 VanDerWaalsContact CA-O 3.29Å; Q117-T129 WeakPolarHBondContact CA-O 3.22Å; Q117-V130 HydrophobicContact CB-CG2 4.09Å; Q117-V130 HydrophobicContact CG-CG2 3.95Å |
| 118 | M | 76.5 | Confident | 65.8 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.4 | 172.2 | 178.5 | 179 | -78.9 | 0 | 0 | 108.2 | I84 I87 V98 G99 L100 S128 T129 A143 A144 M147 | I84-M118 HydrophobicContact CD1-CE 3.43Å; I84-M118 VanDerWaalsContact CD1-CE 3.43Å; I87-M118 HydrophobicContact CD1-CE 3.88Å; I87-M118 HydrophobicContact CD1-SD 3.39Å; I87-M118 WeakPolarHBondContact CD1-SD 3.47Å; I87-M118 HydrophobicContact CG2-SD 4.36Å; V98-M118 HydrophobicContact CG1-CG 4.44Å; G99-M118 WeakPolarHBondContact O-CA 3.27Å; L100-M118 HydrophobicContact CD2-CB 3.76Å; L100-M118 HydrophobicContact CD2-CE 3.4Å; L100-M118 HydrophobicContact CD2-CG 3.87Å; L100-M118 HydrophobicContact CD2-SD 4.47Å; L100-M118 HydrophobicContact CG-CE 4.38Å; M118-S128 CarbonylContact O-C 3.34Å; M118-S128 VanDerWaalsContact O-CA 3.25Å; M118-S128 WeakPolarHBondContact O-CA 3.46Å; M118-T129 PolarHBondContact N-O 3.22Å; M118-T129 PolarHBondContact O-N 2.75Å; M118-A143 HydrophobicContact CB-CB 4.14Å; M118-A144 HydrophobicContact CE-CB 3.9Å; M118-A144 HydrophobicContact SD-CB 4.5Å; M118-M147 HydrophobicContact CB-CE 4.23Å; M118-M147 HydrophobicContact CG-CE 3.85Å; M118-M147 WeakPolarHBondContact O-CE 3.32Å; M118-M147 HydrophobicContact SD-CB 3.74Å; M118-M147 HydrophobicContact SD-CE 4.35Å; M118-M147 HydrophobicContact SD-CG 3.91Å |
| 119 | H | 82.2 | Confident | 66.8 | Low | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.1 | 174.9 | 59.3 | -97.4 | 0 | 0 | 0 | 110.2 | V98 G99 D101 A127 | V98-H119 CarbonylContact C-O 3.6Å; V98-H119 WeakPolarHBondContact CA-O 2.9Å; G99-H119 VanDerWaalsContact CA-CE1 3.49Å; G99-H119 WeakPolarHBondContact CA-CE1 3.45Å; G99-H119 VanDerWaalsContact CA-NE2 3.34Å; G99-H119 WeakPolarHBondContact CA-NE2 3.43Å; G99-H119 PolarHBondContact N-O 3.49Å; G99-H119 PolarHBondContact O-N 3.19Å; D101-H119 IonicContact OD1-CE1 3.12Å; D101-H119 IonicContact OD2-CE1 3.52Å; D101-H119 PolarHBondContact OD2-CE1 3.3Å; D101-H119 IonicContact OD2-ND1 3.02Å; D101-H119 PolarHBondContact OD2-ND1 2.76Å; D101-H119 VanDerWaalsContact OD2-ND1 3.12Å; H119-A127 CarbonylContact C-O 3.59Å; H119-A127 WeakPolarHBondContact CA-O 3.45Å |
| 120 | I | 72 | Confident | 67.8 | Low | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.4 | -178.7 | -76.6 | -166.7 | 0 | 0 | 0 | 105.7 | I87 I96 S97 V98 V125 T126 A127 M147 L151 | I87-I120 HydrophobicContact CG2-CD1 4.01Å; I96-I120 HydrophobicContact CB-CG2 4.32Å; I96-I120 HydrophobicContact CD1-CG2 4.19Å; I96-I120 HydrophobicContact CG2-CB 4.17Å; I96-I120 HydrophobicContact CG2-CG2 3.22Å; S97-I120 WeakPolarHBondContact O-CA 3.27Å; V98-I120 HydrophobicContact CG1-CG1 4.47Å; V98-I120 HydrophobicContact CG2-CD1 4.26Å; V98-I120 HydrophobicContact CG2-CG1 4.03Å; I120-V125 HydrophobicContact CG2-CG1 4.33Å; I120-T126 CarbonylContact O-C 3.41Å; I120-T126 WeakPolarHBondContact O-CA 3.42Å; I120-A127 HydrophobicContact CB-CB 4.39Å; I120-A127 PolarHBondContact N-O 3.5Å; I120-A127 PolarHBondContact O-N 3.34Å; I120-M147 HydrophobicContact CB-CE 4.24Å; I120-M147 HydrophobicContact CB-SD 4.15Å; I120-M147 HydrophobicContact CD1-CE 4.29Å; I120-M147 HydrophobicContact CD1-CG 3.26Å; I120-M147 HydrophobicContact CD1-SD 3.7Å; I120-M147 HydrophobicContact CG1-CE 3.93Å; I120-M147 HydrophobicContact CG1-CG 3.96Å; I120-M147 HydrophobicContact CG1-SD 3.91Å; I120-L151 HydrophobicContact CD1-CD1 3.8Å |
| 121 | T | 68.9 | Low | 68.3 | Low | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.362 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 115.9 | -175.7 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | I96 S97 V125 T126 | I96-T121 VanDerWaalsContact CG2-C 3.49Å; S97-T121 WeakPolarHBondContact CB-O 3.32Å; S97-T121 PolarHBondContact N-O 2.73Å; S97-T121 PolarHBondContact O-N 3.35Å; T121-V125 CarbonylContact C-O 3.34Å; T121-V125 WeakPolarHBondContact CA-O 3.4Å; T121-T126 HydrophobicContact CG2-CG2 4.31Å |
| 122 | G | 61.1 | Low | 68.7 | Low | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 155.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N124 V125 | G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.23Å; G122-V125 PolarHBondContact N-O 2.67Å; G122-V125 WeakPolarHBondContact O-CA 3.24Å; G122-V125 VanDerWaalsContact O-CB 3.29Å; G122-V125 WeakPolarHBondContact O-CB 3.12Å; G122-V125 PolarHBondContact O-N 3.1Å |
| 123 | N | 58.2 | Low | 68.7 | Low | 61 Ų | 61 | 46.7 Ų | 46.7 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 49.6 | 179 | -72.2 | -18 | 0 | 0 | 0 | 114.9 | L94 V125 V180 R184 | L94-N123 PolarHBondContact O-ND2 2.89Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.13Å; N123-V180 HydrophobicContact CB-CG1 4.15Å; N123-V180 VanDerWaalsContact ND2-CG1 3.3Å; N123-V180 WeakPolarHBondContact ND2-CG1 3.44Å; N123-R184 PolarHBondContact ND2-NH2 3.23Å; N123-R184 PolarHBondContact OD1-NH2 3.01Å |
| 124 | N | 57.5 | Low | 68.8 | Low | 153 Ų | 153 | 48.9 Ų | 48.9 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 12.5 | -176.9 | -54.4 | -41.9 | 0 | 0 | 0 | 115.1 | G122 | G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.23Å |
| 125 | V | 61.2 | Low | 68.9 | Low | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.3 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | I96 I120 T121 G122 N123 L151 L156 | I96-V125 HydrophobicContact CD1-CB 4.44Å; I120-V125 HydrophobicContact CG2-CG1 4.33Å; T121-V125 CarbonylContact C-O 3.34Å; T121-V125 WeakPolarHBondContact CA-O 3.4Å; G122-V125 PolarHBondContact N-O 2.67Å; G122-V125 WeakPolarHBondContact O-CA 3.24Å; G122-V125 VanDerWaalsContact O-CB 3.29Å; G122-V125 WeakPolarHBondContact O-CB 3.12Å; G122-V125 PolarHBondContact O-N 3.1Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.13Å; V125-L151 HydrophobicContact CG1-CD2 4.08Å; V125-L156 HydrophobicContact CB-CD1 4.09Å; V125-L156 HydrophobicContact CG1-CD1 3.43Å; V125-L156 VanDerWaalsContact CG1-CD1 3.43Å; V125-L156 HydrophobicContact CG2-CD1 3.52Å; V125-L156 HydrophobicContact CG2-CD2 3.69Å; V125-L156 HydrophobicContact CG2-CG 4.21Å |
| 126 | T | 69.2 | Low | 69.2 | Low | 100 Ų | 100 | 52.9 Ų | 52.9 | 61% | 0.613 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.3 | 165.5 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | I120 T121 | I120-T126 CarbonylContact O-C 3.41Å; I120-T126 WeakPolarHBondContact O-CA 3.42Å; T121-T126 HydrophobicContact CG2-CG2 4.31Å |
| 127 | A | 68.3 | Low | 69.4 | Low | 30 Ų | 30 | 63.1 Ų | 63.1 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | H119 I120 M147 | H119-A127 CarbonylContact C-O 3.59Å; H119-A127 WeakPolarHBondContact CA-O 3.45Å; I120-A127 HydrophobicContact CB-CB 4.39Å; I120-A127 PolarHBondContact N-O 3.5Å; I120-A127 PolarHBondContact O-N 3.34Å; A127-M147 HydrophobicContact CB-CE 4.33Å; A127-M147 HydrophobicContact CB-SD 3.65Å |
| 128 | S | 78.4 | Confident | 68.7 | Low | 80 Ų | 80 | 64.5 Ų | 64.5 | 56% | 0.559 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 141.9 | 175.1 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | M118 | M118-S128 CarbonylContact O-C 3.34Å; M118-S128 VanDerWaalsContact O-CA 3.25Å; M118-S128 WeakPolarHBondContact O-CA 3.46Å |
| 129 | T | 70.6 | Confident | 68 | Low | 19 Ų | 19 | 64.5 Ų | 64.5 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.7 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | Q117 M118 A143 L146 M147 | Q117-T129 CarbonylContact C-O 3.58Å; Q117-T129 VanDerWaalsContact CA-O 3.29Å; Q117-T129 WeakPolarHBondContact CA-O 3.22Å; M118-T129 PolarHBondContact N-O 3.22Å; M118-T129 PolarHBondContact O-N 2.75Å; T129-A143 PolarHBondContact OG1-O 2.96Å; T129-L146 HydrophobicContact CG2-CB 3.94Å; T129-M147 HydrophobicContact CG2-CB 3.99Å; T129-M147 HydrophobicContact CG2-CE 3.86Å; T129-M147 HydrophobicContact CG2-SD 4.07Å |
| 130 | V | 72.4 | Confident | 67.7 | Low | 77 Ų | 77 | 65.4 Ų | 65.4 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.2 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | T115 I116 Q117 | T115-V130 HydrophobicContact CG2-CG1 3.54Å; I116-V130 CarbonylContact O-C 3.5Å; I116-V130 WeakPolarHBondContact O-CA 3.46Å; Q117-V130 HydrophobicContact CB-CG2 4.09Å; Q117-V130 HydrophobicContact CG-CG2 3.95Å |
| 131 | A | 63.2 | Low | 67.6 | Low | 5 Ų | 5 | 69.3 Ų | 69.3 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | T115 I116 I142 A143 L146 | T115-A131 CarbonylContact C-O 3.57Å; T115-A131 WeakPolarHBondContact CA-O 3.45Å; I116-A131 PolarHBondContact N-O 3.29Å; I116-A131 PolarHBondContact O-N 2.84Å; A131-I142 HydrophobicContact CB-CB 3.83Å; A131-I142 HydrophobicContact CB-CG2 3.61Å; A131-A143 HydrophobicContact CB-CB 3.86Å; A131-L146 HydrophobicContact CB-CD1 4.47Å |
| 132 | T | 64.7 | Low | 67.3 | Low | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.2 | 173.8 | 53 | 0 | 0 | 0 | 0 | 109.5 | Q114 T115 | Q114-T132 WeakPolarHBondContact O-CA 3.37Å; T115-T132 HydrophobicContact CG2-CG2 3.78Å; T115-T132 WeakPolarHBondContact OG1-CG2 3.24Å |
| 133 | A | 65.3 | Low | 67.5 | Low | 10 Ų | 10 | 68 Ų | 68 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 176.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q113 Q114 N135 E138 A139 I142 | Q113-A133 CarbonylContact C-O 3.52Å; Q113-A133 WeakPolarHBondContact CA-O 3.44Å; Q114-A133 PolarHBondContact N-O 3.16Å; Q114-A133 PolarHBondContact O-N 3.23Å; A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 2.79Å; A133-E138 HydrophobicContact CB-CB 3.53Å; A133-A139 HydrophobicContact CB-CB 3.82Å; A133-A139 VanDerWaalsContact CB-N 3.33Å; A133-I142 HydrophobicContact CB-CD1 4.13Å |
| 134 | R | 66.1 | Low | 68.2 | Low | 152 Ų | 152 | 65 Ų | 65 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -69.7 | -23.9 | 179.7 | -60.7 | 178.7 | -178.1 | -174.7 | 0.4 | 112.6 | ||
| 135 | N | 69.8 | Low | 68.5 | Low | 58 Ų | 58 | 59.3 Ų | 59.3 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -145.1 | 164.1 | -180 | 66.2 | 51.6 | 0 | 0 | 0 | 112.3 | A133 R137 E138 A139 | A133-N135 VanDerWaalsContact C-N 3.25Å; A133-N135 PolarHBondContact O-N 2.79Å; N135-R137 PolarHBondContact O-N 2.69Å; N135-R137 PolarHBondContact OD1-N 2.87Å; N135-R137 VanDerWaalsContact OD1-N 3.13Å; N135-E138 PolarHBondContact ND2-OE1 3.01Å; N135-E138 PolarHBondContact O-N 3.41Å; N135-E138 VanDerWaalsContact OD1-CB 3.3Å; N135-E138 WeakPolarHBondContact OD1-CB 3.38Å; N135-E138 VanDerWaalsContact OD1-CG 3.31Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 2.9Å; N135-A139 PolarHBondContact O-N 3.19Å |
| 136 | K | 77.1 | Confident | 68.8 | Low | 101 Ų | 101 | 62.5 Ų | 62.5 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.8 | -38.4 | -178.2 | -153.1 | 172.2 | 176.5 | 166.7 | 0 | 112.3 | I116 K140 | I116-K136 HydrophobicContact CD1-CG 3.73Å; I116-K136 VanDerWaalsContact CD1-O 3.31Å; I116-K136 WeakPolarHBondContact CD1-O 3.31Å; K136-K140 WeakPolarHBondContact O-CB 3.37Å; K136-K140 VanDerWaalsContact O-CG 3.29Å; K136-K140 WeakPolarHBondContact O-CG 3.24Å; K136-K140 PolarHBondContact O-N 3.23Å |
| 137 | R | 75 | Confident | 69 | Low | 216 Ų | 216 | 57.8 Ų | 57.8 | 82% | 0.815 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70 | -45.5 | -172.6 | -172.2 | -179.1 | -176.4 | -166.7 | 0.5 | 110.8 | N135 K140 H141 | N135-R137 PolarHBondContact O-N 2.69Å; N135-R137 PolarHBondContact OD1-N 2.87Å; N135-R137 VanDerWaalsContact OD1-N 3.13Å; R137-K140 PolarHBondContact O-N 3.49Å; R137-H141 WeakPolarHBondContact O-CB 3.45Å; R137-H141 PolarHBondContact O-N 2.89Å |
| 138 | E | 64.3 | Low | 69.1 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 174.9 | -74.9 | 166.6 | -158.6 | 0 | 0 | 110.9 | A133 N135 K140 H141 I142 | A133-E138 HydrophobicContact CB-CB 3.53Å; N135-E138 PolarHBondContact ND2-OE1 3.01Å; N135-E138 PolarHBondContact O-N 3.41Å; N135-E138 VanDerWaalsContact OD1-CB 3.3Å; N135-E138 WeakPolarHBondContact OD1-CB 3.38Å; N135-E138 VanDerWaalsContact OD1-CG 3.31Å; N135-E138 WeakPolarHBondContact OD1-CG 3.45Å; N135-E138 PolarHBondContact OD1-N 2.9Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.96Å; E138-H141 PolarHBondContact O-N 3.21Å; E138-H141 VanDerWaalsContact O-N 3.1Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.34Å; E138-I142 PolarHBondContact O-N 3.46Å |
| 139 | A | 63.5 | Low | 68.3 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q114 I116 A133 N135 A143 | Q114-A139 WeakPolarHBondContact O-CB 3.18Å; I116-A139 HydrophobicContact CB-CB 4.08Å; I116-A139 HydrophobicContact CD1-CB 3.78Å; I116-A139 HydrophobicContact CG1-CB 3.72Å; A133-A139 HydrophobicContact CB-CB 3.82Å; A133-A139 VanDerWaalsContact CB-N 3.33Å; N135-A139 PolarHBondContact O-N 3.19Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 2.92Å; A139-A143 PolarHBondContact O-N 3.3Å |
| 140 | K | 74.2 | Confident | 67.9 | Low | 73 Ų | 73 | 56.9 Ų | 56.9 | 32% | 0.317 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 174.6 | -77.2 | -169.1 | -178.8 | -167.5 | 0 | 111.9 | I116 K136 R137 E138 A144 | I116-K140 HydrophobicContact CD1-CB 4.18Å; I116-K140 HydrophobicContact CD1-CD 4.35Å; I116-K140 HydrophobicContact CD1-CG 3.25Å; I116-K140 HydrophobicContact CG2-CG 4.37Å; K136-K140 WeakPolarHBondContact O-CB 3.37Å; K136-K140 VanDerWaalsContact O-CG 3.29Å; K136-K140 WeakPolarHBondContact O-CG 3.24Å; K136-K140 PolarHBondContact O-N 3.23Å; R137-K140 PolarHBondContact O-N 3.49Å; E138-K140 VanDerWaalsContact C-N 3.28Å; E138-K140 PolarHBondContact O-N 2.96Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 3.23Å |
| 141 | H | 70.4 | Confident | 67.5 | Low | 85 Ų | 85 | 53.3 Ų | 53.3 | 39% | 0.394 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | -178.4 | -173.6 | 94.8 | 0 | 0 | 0 | 111.1 | P83 R137 E138 A144 C145 | P83-H141 WeakPolarHBondContact CD-CE1 3.49Å; R137-H141 WeakPolarHBondContact O-CB 3.45Å; R137-H141 PolarHBondContact O-N 2.89Å; E138-H141 PolarHBondContact O-N 3.21Å; E138-H141 VanDerWaalsContact O-N 3.1Å; H141-A144 WeakPolarHBondContact O-CB 3.21Å; H141-A144 PolarHBondContact O-N 3Å; H141-C145 PolarHBondContact O-N 3.03Å; H141-C145 PolarHBondContact O-SG 2.97Å |
| 142 | I | 62.8 | Low | 67.4 | Low | 52 Ų | 52 | 56 Ų | 56 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 178 | -62.7 | 167.1 | 0 | 0 | 0 | 110.6 | I17 A131 A133 E138 A144 C145 L146 | I17-I142 HydrophobicContact CD1-CD1 4.49Å; A131-I142 HydrophobicContact CB-CB 3.83Å; A131-I142 HydrophobicContact CB-CG2 3.61Å; A133-I142 HydrophobicContact CB-CD1 4.13Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.34Å; E138-I142 PolarHBondContact O-N 3.46Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 2.76Å; I142-C145 PolarHBondContact O-N 2.86Å; I142-L146 HydrophobicContact CG2-CD1 4.21Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.21Å |
| 143 | A | 66.3 | Low | 67.2 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I116 M118 T129 A131 A139 M147 | I116-A143 HydrophobicContact CG2-CB 4.4Å; M118-A143 HydrophobicContact CB-CB 4.14Å; T129-A143 PolarHBondContact OG1-O 2.96Å; A131-A143 HydrophobicContact CB-CB 3.86Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 2.92Å; A139-A143 PolarHBondContact O-N 3.3Å; A143-M147 WeakPolarHBondContact O-CB 3.3Å; A143-M147 PolarHBondContact O-N 3.5Å |
| 144 | A | 71.3 | Confident | 66.8 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P83 I84 I87 M118 K140 H141 I142 L146 M147 L148 | P83-A144 HydrophobicContact CB-CB 3.84Å; I84-A144 HydrophobicContact CB-CB 4.31Å; I84-A144 HydrophobicContact CD1-CB 4.37Å; I87-A144 VanDerWaalsContact CD1-CA 3.41Å; I87-A144 HydrophobicContact CD1-CB 3.54Å; I87-A144 WeakPolarHBondContact CD1-O 3.33Å; M118-A144 HydrophobicContact CE-CB 3.9Å; M118-A144 HydrophobicContact SD-CB 4.5Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 3.23Å; H141-A144 WeakPolarHBondContact O-CB 3.21Å; H141-A144 PolarHBondContact O-N 3Å; I142-A144 VanDerWaalsContact C-N 3.25Å; I142-A144 PolarHBondContact O-N 2.76Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.44Å; A144-M147 PolarHBondContact O-N 3.48Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.42Å |
| 145 | C | 65.4 | Low | 66.4 | Low | 33 Ų | 33 | 58.5 Ų | 58.5 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 112 | P83 H141 I142 M147 L148 N149 | P83-C145 VanDerWaalsContact CG-SG 3.53Å; H141-C145 PolarHBondContact O-N 3.03Å; H141-C145 PolarHBondContact O-SG 2.97Å; I142-C145 PolarHBondContact O-N 2.86Å; C145-M147 VanDerWaalsContact C-N 3.26Å; C145-M147 PolarHBondContact O-N 3.1Å; C145-L148 PolarHBondContact O-N 3.01Å; C145-N149 WeakPolarHBondContact O-CB 3.39Å; C145-N149 PolarHBondContact O-N 3.44Å |
| 146 | L | 66 | Low | 65.7 | Low | 76 Ų | 76 | 58 Ų | 58 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 177 | -69.2 | 175.3 | 0 | 0 | 0 | 111.5 | T129 A131 I142 A144 N149 G150 | T129-L146 HydrophobicContact CG2-CB 3.94Å; A131-L146 HydrophobicContact CB-CD1 4.47Å; I142-L146 HydrophobicContact CG2-CD1 4.21Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.21Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.44Å; L146-N149 PolarHBondContact O-N 2.94Å; L146-G150 PolarHBondContact O-N 3.29Å |
| 147 | M | 74 | Confident | 64.6 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -47.8 | -179.5 | -175.2 | 60.8 | 78.9 | 0 | 0 | 111.4 | I87 M118 I120 A127 T129 A143 A144 C145 N149 G150 L151 | I87-M147 HydrophobicContact CD1-CB 3.85Å; I87-M147 HydrophobicContact CD1-CG 4.04Å; M118-M147 HydrophobicContact CB-CE 4.23Å; M118-M147 HydrophobicContact CG-CE 3.85Å; M118-M147 WeakPolarHBondContact O-CE 3.32Å; M118-M147 HydrophobicContact SD-CB 3.74Å; M118-M147 HydrophobicContact SD-CE 4.35Å; M118-M147 HydrophobicContact SD-CG 3.91Å; I120-M147 HydrophobicContact CB-CE 4.24Å; I120-M147 HydrophobicContact CB-SD 4.15Å; I120-M147 HydrophobicContact CD1-CE 4.29Å; I120-M147 HydrophobicContact CD1-CG 3.26Å; I120-M147 HydrophobicContact CD1-SD 3.7Å; I120-M147 HydrophobicContact CG1-CE 3.93Å; I120-M147 HydrophobicContact CG1-CG 3.96Å; I120-M147 HydrophobicContact CG1-SD 3.91Å; A127-M147 HydrophobicContact CB-CE 4.33Å; A127-M147 HydrophobicContact CB-SD 3.65Å; T129-M147 HydrophobicContact CG2-CB 3.99Å; T129-M147 HydrophobicContact CG2-CE 3.86Å; T129-M147 HydrophobicContact CG2-SD 4.07Å; A143-M147 WeakPolarHBondContact O-CB 3.3Å; A143-M147 PolarHBondContact O-N 3.5Å; A144-M147 PolarHBondContact O-N 3.48Å; C145-M147 VanDerWaalsContact C-N 3.26Å; C145-M147 PolarHBondContact O-N 3.1Å; M147-N149 VanDerWaalsContact C-N 3.32Å; M147-N149 PolarHBondContact O-N 3.12Å; M147-G150 PolarHBondContact O-N 3.33Å; M147-G150 VanDerWaalsContact O-N 3.12Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 WeakPolarHBondContact O-CG 3.45Å; M147-L151 PolarHBondContact O-N 2.97Å |
| 148 | L | 69.7 | Low | 63.2 | Low | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.5 | -70.9 | 173 | 0 | 0 | 0 | 111.2 | P83 V86 I87 L90 A144 C145 G150 L151 I152 | P83-L148 HydrophobicContact CB-CD1 3.98Å; V86-L148 HydrophobicContact CB-CD1 4.13Å; V86-L148 HydrophobicContact CB-CD2 4.5Å; V86-L148 HydrophobicContact CG1-CD1 4.14Å; V86-L148 HydrophobicContact CG1-CD2 3.89Å; I87-L148 HydrophobicContact CD1-CG 4.14Å; I87-L148 HydrophobicContact CG1-CD1 4.37Å; I87-L148 HydrophobicContact CG1-CD2 3.72Å; I87-L148 HydrophobicContact CG1-CG 3.82Å; L90-L148 HydrophobicContact CD1-CD2 3.52Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.42Å; C145-L148 PolarHBondContact O-N 3.01Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.49Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.04Å |
| 149 | N | 63 | Low | 62.4 | Low | 59 Ų | 59 | 45.1 Ų | 45.1 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 175.6 | -74.9 | -12.1 | 0 | 0 | 0 | 112.1 | C145 L146 M147 I152 N153 | C145-N149 WeakPolarHBondContact O-CB 3.39Å; C145-N149 PolarHBondContact O-N 3.44Å; L146-N149 PolarHBondContact O-N 2.94Å; M147-N149 VanDerWaalsContact C-N 3.32Å; M147-N149 PolarHBondContact O-N 3.12Å; N149-I152 PolarHBondContact O-N 2.93Å; N149-N153 WeakPolarHBondContact O-CB 3.46Å; N149-N153 PolarHBondContact O-N 3.38Å; N149-N153 PolarHBondContact O-ND2 3.17Å |
| 150 | G | 60.6 | Low | 61.5 | Low | 35 Ų | 35 | 49.9 Ų | 49.9 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L146 M147 L148 N153 S154 | L146-G150 PolarHBondContact O-N 3.29Å; M147-G150 PolarHBondContact O-N 3.33Å; M147-G150 VanDerWaalsContact O-N 3.12Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.49Å; G150-N153 PolarHBondContact O-N 2.82Å; G150-S154 WeakPolarHBondContact O-CB 3.35Å; G150-S154 PolarHBondContact O-N 3.44Å; G150-S154 VanDerWaalsContact O-N 3.08Å; G150-S154 PolarHBondContact O-OG 2.93Å |
| 151 | L | 65.8 | Low | 59.9 | Low | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 178.3 | -67.3 | 172.1 | 0 | 0 | 0 | 112.6 | L90 I120 V125 M147 L148 S154 L156 I157 | L90-L151 HydrophobicContact CD1-CD1 4.39Å; I120-L151 HydrophobicContact CD1-CD1 3.8Å; V125-L151 HydrophobicContact CG1-CD2 4.08Å; M147-L151 HydrophobicContact CG-CD1 4.33Å; M147-L151 WeakPolarHBondContact O-CG 3.45Å; M147-L151 PolarHBondContact O-N 2.97Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 PolarHBondContact O-OG 3.36Å; L151-L156 HydrophobicContact CD2-CD1 3.99Å; L151-L156 PolarHBondContact O-N 2.9Å; L151-I157 HydrophobicContact CB-CD1 3.65Å; L151-I157 HydrophobicContact CB-CG1 4.06Å; L151-I157 HydrophobicContact CD1-CD1 3.7Å; L151-I157 HydrophobicContact CG-CD1 4.21Å; L151-I157 PolarHBondContact O-N 3.13Å |
| 152 | I | 60.8 | Low | 58.4 | Low | 60 Ų | 60 | 47 Ų | 47 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.2 | -49.2 | 175 | -65 | 166.2 | 0 | 0 | 0 | 110.1 | L148 N149 S154 N155 V159 | L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.04Å; N149-I152 PolarHBondContact O-N 2.93Å; I152-S154 PolarHBondContact O-N 3.26Å; I152-N155 PolarHBondContact O-N 3.02Å; I152-V159 HydrophobicContact CD1-CG2 3.77Å; I152-V159 HydrophobicContact CG1-CG2 3.66Å; I152-V159 HydrophobicContact CG2-CG2 4.44Å |
| 153 | N | 58.9 | Low | 57.3 | Low | 133 Ų | 133 | 50.2 Ų | 50.2 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.8 | -23.6 | -178.1 | -71.3 | -21.1 | 0 | 0 | 0 | 113.7 | N149 G150 N155 | N149-N153 WeakPolarHBondContact O-CB 3.46Å; N149-N153 PolarHBondContact O-N 3.38Å; N149-N153 PolarHBondContact O-ND2 3.17Å; G150-N153 PolarHBondContact O-N 2.82Å; N153-N155 VanDerWaalsContact C-N 3.25Å |
| 154 | S | 58.7 | Low | 56 | Low | 33 Ų | 33 | 53.7 Ų | 53.7 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.2 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | G150 L151 I152 L156 | G150-S154 WeakPolarHBondContact O-CB 3.35Å; G150-S154 PolarHBondContact O-N 3.44Å; G150-S154 VanDerWaalsContact O-N 3.08Å; G150-S154 PolarHBondContact O-OG 2.93Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 PolarHBondContact O-OG 3.36Å; I152-S154 PolarHBondContact O-N 3.26Å; S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 WeakPolarHBondContact OG-CD1 3.39Å |
| 155 | N | 57 | Low | 54.7 | Low | 117 Ų | 117 | 61.1 Ų | 61.1 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 14.5 | -174.2 | -62.5 | -29.8 | 0 | 0 | 0 | 114.3 | I152 N153 I157 | I152-N155 PolarHBondContact O-N 3.02Å; N153-N155 VanDerWaalsContact C-N 3.25Å; N155-I157 PolarHBondContact O-N 2.83Å |
| 156 | L | 55.2 | Low | 53.6 | Low | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -71.6 | -28.2 | 175.8 | -69.6 | 174 | 0 | 0 | 0 | 111.3 | V125 L151 S154 S178 | V125-L156 HydrophobicContact CB-CD1 4.09Å; V125-L156 HydrophobicContact CG1-CD1 3.43Å; V125-L156 VanDerWaalsContact CG1-CD1 3.43Å; V125-L156 HydrophobicContact CG2-CD1 3.52Å; V125-L156 HydrophobicContact CG2-CD2 3.69Å; V125-L156 HydrophobicContact CG2-CG 4.21Å; L151-L156 HydrophobicContact CD2-CD1 3.99Å; L151-L156 PolarHBondContact O-N 2.9Å; S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 WeakPolarHBondContact OG-CD1 3.39Å; L156-S178 WeakPolarHBondContact O-CB 3.33Å; L156-S178 PolarHBondContact O-OG 3.31Å |
| 157 | I | 52.8 | Low | 52.9 | Low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -130.8 | 116.2 | 177.6 | -57 | -178.6 | 0 | 0 | 0 | 107.6 | L90 L94 L151 N155 V159 Y176 A177 | L90-I157 HydrophobicContact CD1-CD1 3.45Å; L90-I157 VanDerWaalsContact CD1-CD1 3.45Å; L90-I157 HydrophobicContact CD2-CD1 3.78Å; L90-I157 HydrophobicContact CG-CD1 4.2Å; L94-I157 HydrophobicContact CD1-CD1 3.99Å; L94-I157 HydrophobicContact CD1-CG1 4.18Å; L151-I157 HydrophobicContact CB-CD1 3.65Å; L151-I157 HydrophobicContact CB-CG1 4.06Å; L151-I157 HydrophobicContact CD1-CD1 3.7Å; L151-I157 HydrophobicContact CG-CD1 4.21Å; L151-I157 PolarHBondContact O-N 3.13Å; N155-I157 PolarHBondContact O-N 2.83Å; I157-V159 HydrophobicContact CG2-CG2 4.29Å; I157-Y176 HydrophobicContact CG2-CD1 3.36Å; I157-Y176 HydrophobicContact CG2-CE1 4.15Å; I157-Y176 HydrophobicContact CG2-CG 4.19Å; I157-A177 CarbonylContact C-O 3.45Å; I157-A177 WeakPolarHBondContact CA-O 3.41Å |
| 158 | Q | 47.4 | Very low | 51.5 | Low | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.6 | 169.1 | -64.4 | -180 | 9.1 | 0 | 0 | 108.7 | F160 Y176 A177 | Q158-F160 HydrophobicContact CB-CE2 3.91Å; Q158-F160 HydrophobicContact CB-CZ 3.99Å; Q158-F160 VanDerWaalsContact OE1-CZ 3.24Å; Q158-Y176 CarbonylContact O-C 3.57Å; Q158-Y176 VanDerWaalsContact O-CA 3.27Å; Q158-Y176 WeakPolarHBondContact O-CA 3.26Å; Q158-A177 PolarHBondContact N-O 3.38Å; Q158-A177 PolarHBondContact O-N 3.26Å |
| 159 | V | 47.4 | Very low | 49.7 | Very low | 45 Ų | 45 | 81.5 Ų | 81.5 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 110.6 | -176 | -169.1 | 0 | 0 | 0 | 0 | 108 | I152 I157 L174 L175 Y176 | I152-V159 HydrophobicContact CD1-CG2 3.77Å; I152-V159 HydrophobicContact CG1-CG2 3.66Å; I152-V159 HydrophobicContact CG2-CG2 4.44Å; I157-V159 HydrophobicContact CG2-CG2 4.29Å; V159-L174 HydrophobicContact CG1-CB 3.5Å; V159-L174 VanDerWaalsContact CG1-CB 3.5Å; V159-L174 HydrophobicContact CG1-CD1 3.14Å; V159-L174 HydrophobicContact CG1-CD2 3.9Å; V159-L174 HydrophobicContact CG1-CG 3.62Å; V159-L175 CarbonylContact C-O 3.42Å; V159-L175 WeakPolarHBondContact CA-O 3.3Å; V159-Y176 HydrophobicContact CB-CD1 4.48Å; V159-Y176 HydrophobicContact CB-CE1 4.38Å; V159-Y176 HydrophobicContact CG1-CD1 4.33Å; V159-Y176 HydrophobicContact CG1-CE1 3.95Å; V159-Y176 HydrophobicContact CG2-CD1 3.77Å; V159-Y176 HydrophobicContact CG2-CE1 3.62Å |
| 160 | F | 42.9 | Very low | 48.7 | Very low | 99 Ų | 99 | 81.9 Ų | 81.9 | 43% | 0.434 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.7 | -178.9 | -56 | -83.3 | 0 | 0 | 0 | 110.7 | Q158 L174 L175 A177 | Q158-F160 HydrophobicContact CB-CE2 3.91Å; Q158-F160 HydrophobicContact CB-CZ 3.99Å; Q158-F160 VanDerWaalsContact OE1-CZ 3.24Å; F160-L174 CarbonylContact O-C 3.59Å; F160-L174 WeakPolarHBondContact O-CA 3.31Å; F160-L175 HydrophobicContact CB-CB 4.13Å; F160-L175 HydrophobicContact CD2-CB 4.29Å; F160-L175 PolarHBondContact N-O 3.13Å; F160-L175 PolarHBondContact O-N 3.04Å; F160-A177 HydrophobicContact CD2-CB 4.49Å; F160-A177 HydrophobicContact CE2-CB 3.64Å |
| 161 | G | 40.5 | Very low | 47.4 | Very low | 48 Ų | 48 | 86.2 Ų | 86.2 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | K173 | G161-K173 CarbonylContact C-O 3.59Å; G161-K173 VanDerWaalsContact CA-O 3.27Å; G161-K173 WeakPolarHBondContact CA-O 3.45Å |
| 162 | T | 39.4 | Very low | 45.9 | Very low | 50 Ų | 50 | 86.6 Ų | 86.6 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.2 | 163.8 | 61.9 | 0 | 0 | 0 | 0 | 108.7 | E164 T172 K173 L175 | T162-E164 PolarHBondContact O-N 3.15Å; T162-T172 CarbonylContact O-C 3.55Å; T162-T172 VanDerWaalsContact O-CA 3.26Å; T162-T172 WeakPolarHBondContact O-CA 3.42Å; T162-K173 PolarHBondContact N-O 2.86Å; T162-K173 PolarHBondContact O-N 3.13Å; T162-K173 WeakPolarHBondContact OG1-CB 3.36Å; T162-L175 HydrophobicContact CG2-CD1 3.63Å; T162-L175 HydrophobicContact CG2-CG 4.28Å |
| 163 | K | 41.1 | Very low | 44.7 | Very low | 120 Ų | 120 | 85.6 Ų | 85.6 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 106.9 | 167.6 | -75.7 | -173.3 | 177.8 | -172.8 | 0 | 108.3 | F165 R171 T172 | K163-F165 HydrophobicContact CB-CE2 4.33Å; K163-R171 CarbonylContact C-O 3.58Å; K163-R171 WeakPolarHBondContact CA-O 3.29Å; K163-T172 HydrophobicContact CG-CG2 4.25Å |
| 164 | E | 39 | Very low | 43.7 | Very low | 73 Ų | 73 | 80.9 Ų | 80.9 | 34% | 0.341 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.4 | 164.4 | -76.4 | -177.9 | -171.9 | 0 | 0 | 109 | T162 S170 R171 K173 | T162-E164 PolarHBondContact O-N 3.15Å; E164-S170 CarbonylContact O-C 3.59Å; E164-R171 PolarHBondContact N-O 2.84Å; E164-R171 PolarHBondContact O-N 3.16Å; E164-K173 VanDerWaalsContact OE1-CE 3.31Å; E164-K173 WeakPolarHBondContact OE1-CE 3.47Å; E164-K173 IonicContact OE1-NZ 2.74Å; E164-K173 PolarHBondContact OE1-NZ 2.82Å; E164-K173 WeakPolarHBondContact OE2-CE 3.38Å; E164-K173 IonicContact OE2-NZ 3.15Å; E164-K173 PolarHBondContact OE2-NZ 3.15Å |
| 165 | F | 42.2 | Very low | 42.9 | Very low | 155 Ų | 155 | 81.1 Ų | 81.1 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 112.5 | 169.3 | -67.2 | -87.4 | 0 | 0 | 0 | 107.7 | K163 | K163-F165 HydrophobicContact CB-CE2 4.33Å |
| 166 | I | 43.3 | Very low | 42.2 | Very low | 73 Ų | 73 | 77.4 Ų | 77.4 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 105.4 | 169.9 | -56.5 | 179.3 | 0 | 0 | 0 | 105.2 | Q168 N169 | I166-Q168 PolarHBondContact O-N 2.9Å; I166-N169 PolarHBondContact N-O 3.29Å; I166-N169 PolarHBondContact O-N 3.25Å; I166-N169 VanDerWaalsContact O-O 3.07Å |
| 167 | E | 50.2 | Low | 41.5 | Very low | 179 Ų | 179 | 77 Ų | 77 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -126.7 | -172 | -53.7 | 174.6 | 166.5 | 0 | 0 | 112.2 | N169 | E167-N169 VanDerWaalsContact C-N 3.3Š|
| 168 | Q | 44.8 | Very low | 41 | Very low | 192 Ų | 192 | 77.1 Ų | 77.1 | 90% | 0.897 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.4 | 176 | -65.2 | -178.4 | -6.2 | 0 | 0 | 113.2 | I166 | I166-Q168 PolarHBondContact O-N 2.9Š|
| 169 | N | 32.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 77.8 Ų | 77.8 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.4 | -176.3 | -72.5 | -40.9 | 0 | 0 | 0 | 111 | I166 E167 | I166-N169 PolarHBondContact N-O 3.29Å; I166-N169 PolarHBondContact O-N 3.25Å; I166-N169 VanDerWaalsContact O-O 3.07Å; E167-N169 VanDerWaalsContact C-N 3.3Å |
| 170 | S | 41.9 | Very low | 40 | Very low | 67 Ų | 67 | 77.1 Ų | 77.1 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122 | 167.2 | 64.5 | 0 | 0 | 0 | 0 | 110 | E164 | E164-S170 CarbonylContact O-C 3.59Å |
| 171 | R | 34.4 | Very low | 39.6 | Very low | 126 Ų | 126 | 76.4 Ų | 76.4 | 48% | 0.475 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.1 | 165.8 | -66.6 | -171.8 | -179.3 | 179.2 | 2.4 | 108.8 | K163 E164 | K163-R171 CarbonylContact C-O 3.58Å; K163-R171 WeakPolarHBondContact CA-O 3.29Å; E164-R171 PolarHBondContact N-O 2.84Å; E164-R171 PolarHBondContact O-N 3.16Å |
| 172 | T | 34.3 | Very low | 39.2 | Very low | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.7 | 165.6 | -43.5 | 0 | 0 | 0 | 0 | 108 | V71 T72 T162 K163 L174 | V71-T172 CarbonylContact C-O 3.5Å; V71-T172 CarbonylContact O-C 3.52Å; T72-T172 WeakPolarHBondContact CA-O 3.48Å; T72-T172 WeakPolarHBondContact CG2-O 3.21Å; T72-T172 PolarHBondContact N-O 3.06Å; T162-T172 CarbonylContact O-C 3.55Å; T162-T172 VanDerWaalsContact O-CA 3.26Å; T162-T172 WeakPolarHBondContact O-CA 3.42Å; K163-T172 HydrophobicContact CG-CG2 4.25Å; T172-L174 HydrophobicContact CG2-CD2 4.23Å |
| 173 | K | 35.3 | Very low | 38.8 | Very low | 38 Ų | 38 | 87.3 Ų | 87.3 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141.1 | 161.5 | -49.3 | -176.4 | 164.9 | 163.3 | 0 | 106.6 | V68 E70 G161 T162 E164 | V68-K173 HydrophobicContact CG1-CD 4.13Å; E70-K173 HydrophobicContact CG-CB 4.42Å; E70-K173 HydrophobicContact CG-CD 4.27Å; E70-K173 HydrophobicContact CG-CG 4.04Å; E70-K173 WeakPolarHBondContact OE1-CE 3.3Å; G161-K173 CarbonylContact C-O 3.59Å; G161-K173 VanDerWaalsContact CA-O 3.27Å; G161-K173 WeakPolarHBondContact CA-O 3.45Å; T162-K173 PolarHBondContact N-O 2.86Å; T162-K173 PolarHBondContact O-N 3.13Å; T162-K173 WeakPolarHBondContact OG1-CB 3.36Å; E164-K173 VanDerWaalsContact OE1-CE 3.31Å; E164-K173 WeakPolarHBondContact OE1-CE 3.47Å; E164-K173 IonicContact OE1-NZ 2.74Å; E164-K173 PolarHBondContact OE1-NZ 2.82Å; E164-K173 WeakPolarHBondContact OE2-CE 3.38Å; E164-K173 IonicContact OE2-NZ 3.15Å; E164-K173 PolarHBondContact OE2-NZ 3.15Å |
| 174 | L | 37.9 | Very low | 38.5 | Very low | 35 Ų | 35 | 86.6 Ų | 86.6 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.3 | 163.4 | -56.7 | 171.6 | 0 | 0 | 0 | 109.3 | L69 V71 V159 F160 T172 | L69-L174 CarbonylContact C-O 3.52Å; L69-L174 CarbonylContact O-C 3.22Å; L69-L174 PolarHBondContact O-N 3.26Å; V71-L174 HydrophobicContact CB-CB 3.52Å; V71-L174 HydrophobicContact CB-CD1 3.38Å; V71-L174 HydrophobicContact CB-CG 3.38Å; V71-L174 HydrophobicContact CG1-CB 4.21Å; V71-L174 HydrophobicContact CG1-CD1 3.02Å; V71-L174 HydrophobicContact CG1-CG 3.64Å; V71-L174 HydrophobicContact CG2-CB 3.88Å; V71-L174 HydrophobicContact CG2-CD1 4.18Å; V71-L174 HydrophobicContact CG2-CG 4.25Å; V71-L174 WeakPolarHBondContact O-CG 3.41Å; V71-L174 PolarHBondContact O-N 3.4Å; V159-L174 HydrophobicContact CG1-CB 3.5Å; V159-L174 VanDerWaalsContact CG1-CB 3.5Å; V159-L174 HydrophobicContact CG1-CD1 3.14Å; V159-L174 HydrophobicContact CG1-CD2 3.9Å; V159-L174 HydrophobicContact CG1-CG 3.62Å; F160-L174 CarbonylContact O-C 3.59Å; F160-L174 WeakPolarHBondContact O-CA 3.31Å; T172-L174 HydrophobicContact CG2-CD2 4.23Å |
| 175 | L | 41.1 | Very low | 38.1 | Very low | 37 Ų | 37 | 87.7 Ų | 87.7 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.2 | 171.6 | -55.8 | 169.2 | 0 | 0 | 0 | 106.2 | V68 V159 F160 T162 | V68-L175 HydrophobicContact CB-CD2 4.3Å; V68-L175 HydrophobicContact CG1-CD2 4.04Å; V68-L175 HydrophobicContact CG2-CD2 3.99Å; V159-L175 CarbonylContact C-O 3.42Å; V159-L175 WeakPolarHBondContact CA-O 3.3Å; F160-L175 HydrophobicContact CB-CB 4.13Å; F160-L175 HydrophobicContact CD2-CB 4.29Å; F160-L175 PolarHBondContact N-O 3.13Å; F160-L175 PolarHBondContact O-N 3.04Å; T162-L175 HydrophobicContact CG2-CD1 3.63Å; T162-L175 HydrophobicContact CG2-CG 4.28Å |
| 176 | Y | 43.1 | Very low | 37.7 | Very low | 40 Ų | 40 | 85.6 Ų | 85.6 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.7 | 173.9 | -63.9 | -78.3 | 0 | 0 | 0 | 108.9 | L69 V71 V86 I157 Q158 V159 | L69-Y176 HydrophobicContact CB-CD2 3.63Å; L69-Y176 HydrophobicContact CB-CE2 3.36Å; L69-Y176 HydrophobicContact CD1-CD2 3.49Å; L69-Y176 VanDerWaalsContact CD1-CD2 3.49Å; L69-Y176 HydrophobicContact CD1-CE2 3.47Å; L69-Y176 VanDerWaalsContact CD1-CE2 3.47Å; L69-Y176 HydrophobicContact CG-CD2 4.18Å; L69-Y176 HydrophobicContact CG-CE2 3.98Å; V71-Y176 HydrophobicContact CG2-CE2 4Å; V71-Y176 WeakPolarHBondContact CG2-OH 3.47Å; V86-Y176 HydrophobicContact CG1-CE2 4.29Å; I157-Y176 HydrophobicContact CG2-CD1 3.36Å; I157-Y176 HydrophobicContact CG2-CE1 4.15Å; I157-Y176 HydrophobicContact CG2-CG 4.19Å; Q158-Y176 CarbonylContact O-C 3.57Å; Q158-Y176 VanDerWaalsContact O-CA 3.27Å; Q158-Y176 WeakPolarHBondContact O-CA 3.26Å; V159-Y176 HydrophobicContact CB-CD1 4.48Å; V159-Y176 HydrophobicContact CB-CE1 4.38Å; V159-Y176 HydrophobicContact CG1-CD1 4.33Å; V159-Y176 HydrophobicContact CG1-CE1 3.95Å; V159-Y176 HydrophobicContact CG2-CD1 3.77Å; V159-Y176 HydrophobicContact CG2-CE1 3.62Å |
| 177 | A | 40.4 | Very low | 37.2 | Very low | 37 Ų | 37 | 88.3 Ų | 88.3 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I157 Q158 F160 | I157-A177 CarbonylContact C-O 3.45Å; I157-A177 WeakPolarHBondContact CA-O 3.41Å; Q158-A177 PolarHBondContact N-O 3.38Å; Q158-A177 PolarHBondContact O-N 3.26Å; F160-A177 HydrophobicContact CD2-CB 4.49Å; F160-A177 HydrophobicContact CE2-CB 3.64Å |
| 178 | S | 40.9 | Very low | 36.4 | Very low | 7 Ų | 7 | 81.2 Ų | 81.2 | 5% | 0.049 | 40% | 0.401 | C | S | . | . | trans | -135.4 | 138.1 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | L94 L156 V180 F181 | L94-S178 VanDerWaalsContact CD2-CB 3.49Å; L156-S178 WeakPolarHBondContact O-CB 3.33Å; L156-S178 PolarHBondContact O-OG 3.31Å; S178-V180 PolarHBondContact O-N 2.95Å; S178-V180 WeakPolarHBondContact OG-CB 3.41Å; S178-V180 WeakPolarHBondContact OG-CG2 3.43Å; S178-V180 PolarHBondContact OG-N 2.97Å; S178-F181 VanDerWaalsContact CB-CD2 3.5Å; S178-F181 WeakPolarHBondContact O-CB 3.41Å; S178-F181 WeakPolarHBondContact O-CD2 3.35Å; S178-F181 PolarHBondContact O-N 2.93Å | ||
| 179 | D | 39.5 | Very low | 35.7 | Very low | 90 Ų | 90 | 74.1 Ų | 74.1 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -17.5 | 173.2 | -69.9 | -16.6 | 0 | 0 | 0 | 112.2 | F181 L182 | D179-F181 PolarHBondContact O-N 2.98Å; D179-L182 PolarHBondContact O-N 2.73Å |
| 180 | V | 34.8 | Very low | 35.7 | Very low | 32 Ų | 32 | 72.7 Ų | 72.7 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -30 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | L94 N123 S178 R184 | L94-V180 HydrophobicContact CD2-CB 4.31Å; N123-V180 HydrophobicContact CB-CG1 4.15Å; N123-V180 VanDerWaalsContact ND2-CG1 3.3Å; N123-V180 WeakPolarHBondContact ND2-CG1 3.44Å; S178-V180 PolarHBondContact O-N 2.95Å; S178-V180 WeakPolarHBondContact OG-CB 3.41Å; S178-V180 WeakPolarHBondContact OG-CG2 3.43Å; S178-V180 PolarHBondContact OG-N 2.97Å; V180-R184 WeakPolarHBondContact O-CD 3.33Å; V180-R184 WeakPolarHBondContact O-CG 3.31Å |
| 181 | F | 34.6 | Very low | 35.5 | Very low | 83 Ų | 83 | 74.1 Ų | 74.1 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.2 | -36.5 | 174.6 | -65 | -73.8 | 0 | 0 | 0 | 112.8 | H93 L94 S178 D179 R183 R184 | H93-F181 HydrophobicContact CB-CE1 4.06Å; H93-F181 HydrophobicContact CB-CZ 3.66Å; H93-F181 WeakPolarHBondContact O-CE1 3.25Å; H93-F181 WeakPolarHBondContact O-CZ 3.33Å; L94-F181 HydrophobicContact CD2-CD2 4.18Å; L94-F181 HydrophobicContact CD2-CE2 3.35Å; L94-F181 HydrophobicContact CD2-CZ 3.55Å; L94-F181 HydrophobicContact CG-CE2 4.28Å; L94-F181 HydrophobicContact CG-CZ 4.15Å; S178-F181 VanDerWaalsContact CB-CD2 3.5Å; S178-F181 WeakPolarHBondContact O-CB 3.41Å; S178-F181 WeakPolarHBondContact O-CD2 3.35Å; S178-F181 PolarHBondContact O-N 2.93Å; D179-F181 PolarHBondContact O-N 2.98Å; F181-R183 PolarHBondContact O-N 2.96Å; F181-R184 PolarHBondContact O-N 3.08Å |
| 182 | L | 31.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 73.4 Ų | 73.4 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -27.3 | 178.6 | -84.8 | 157 | 0 | 0 | 0 | 112.5 | D179 | D179-L182 PolarHBondContact O-N 2.73Å |
| 183 | R | 31.3 | Very low | 35.7 | Very low | 223 Ų | 223 | 78.2 Ų | 78.2 | 84% | 0.842 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.8 | -179.2 | -63.9 | -170.7 | -178.9 | -166.2 | 0.1 | 114.9 | F181 | F181-R183 PolarHBondContact O-N 2.96Š|
| 184 | R | 35.1 | Very low | 36 | Very low | 106 Ų | 106 | 82.4 Ų | 82.4 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -94.5 | -5.3 | -168.8 | -83.8 | 177.2 | 162.1 | -154.8 | -16.8 | 115.6 | C95 N123 V180 F181 | C95-R184 VanDerWaalsContact CB-NH2 3.34Å; C95-R184 PolarHBondContact SG-NH1 2.97Å; N123-R184 PolarHBondContact ND2-NH2 3.23Å; N123-R184 PolarHBondContact OD1-NH2 3.01Å; V180-R184 WeakPolarHBondContact O-CD 3.33Å; V180-R184 WeakPolarHBondContact O-CG 3.31Å; F181-R184 PolarHBondContact O-N 3.08Å |
| 185 | K | 31.9 | Very low | 35.9 | Very low | 95 Ų | 95 | 85.3 Ų | 85.3 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | trans | -140.5 | 111.1 | 166.6 | -81 | -174.4 | 172.4 | 179.5 | 0 | 109.8 | E64 N187 S188 | E64-K185 IonicContact OE1-NZ 3.98Å; E64-K185 PolarHBondContact OE1-NZ 3.43Å; K185-N187 PolarHBondContact O-N 2.8Å; K185-S188 WeakPolarHBondContact CB-OG 3.36Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-S188 PolarHBondContact O-OG 2.76Å | ||
| 186 | P | 33.8 | Very low | 35.9 | Very low | 111 Ų | 111 | 88.5 Ų | 88.5 | 72% | 0.721 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.2 | 174.8 | 23.7 | -30.7 | 0 | 0 | 0 | 113.2 | ||
| 187 | N | 32 | Very low | 36.1 | Very low | 131 Ų | 131 | 92.9 Ų | 92.9 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -8.4 | -177.3 | -65.5 | -10.4 | 0 | 0 | 0 | 115.1 | K185 | K185-N187 PolarHBondContact O-N 2.8Š|
| 188 | S | 33.3 | Very low | 36.3 | Very low | 30 Ų | 30 | 98.6 Ų | 98.6 | 21% | 0.21 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -20.3 | -178.4 | 63 | 0 | 0 | 0 | 0 | 114.1 | K185 I190 D191 L192 | K185-S188 WeakPolarHBondContact CB-OG 3.36Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-S188 PolarHBondContact O-OG 2.76Å; S188-I190 VanDerWaalsContact C-N 3.34Å; S188-D191 PolarHBondContact O-N 2.88Å; S188-L192 PolarHBondContact O-N 3.12Å |
| 189 | A | 30.7 | Very low | 36.1 | Very low | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.7 | -31.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D191 L192 E193 | A189-D191 VanDerWaalsContact C-N 3.27Å; A189-D191 PolarHBondContact O-N 2.82Å; A189-L192 PolarHBondContact O-N 2.9Å; A189-E193 PolarHBondContact O-N 2.92Å; A189-E193 VanDerWaalsContact O-N 3.15Å |
| 190 | I | 32.3 | Very low | 36.1 | Very low | 82 Ų | 82 | 107.7 Ų | 107.7 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -31.9 | 176.1 | -63.1 | 171.9 | 0 | 0 | 0 | 110.9 | S188 K194 | S188-I190 VanDerWaalsContact C-N 3.34Å; I190-K194 HydrophobicContact CG2-CD 3.89Å; I190-K194 HydrophobicContact CG2-CG 4.39Å; I190-K194 VanDerWaalsContact O-CB 3.22Å; I190-K194 WeakPolarHBondContact O-CB 3.5Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.15Å |
| 191 | D | 37.9 | Very low | 36.4 | Very low | 97 Ų | 97 | 111.5 Ų | 111.5 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77.1 | -34.7 | 178.1 | -101 | -13.9 | 0 | 0 | 0 | 112.8 | S188 A189 L195 | S188-D191 PolarHBondContact O-N 2.88Å; A189-D191 VanDerWaalsContact C-N 3.27Å; A189-D191 PolarHBondContact O-N 2.82Å; D191-L195 WeakPolarHBondContact O-CB 3.4Å; D191-L195 WeakPolarHBondContact O-CD1 3.49Å; D191-L195 WeakPolarHBondContact O-CG 3.42Å; D191-L195 PolarHBondContact O-N 3.49Å |
| 192 | L | 34.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 116 Ų | 116 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 173.1 | -118.7 | 103 | 0 | 0 | 0 | 111.7 | S188 A189 L195 L196 | S188-L192 PolarHBondContact O-N 3.12Å; A189-L192 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 3Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.04Å |
| 193 | E | 38.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.8 | -34.4 | 179.1 | -145.2 | -174.2 | 169.4 | 0 | 0 | 112.1 | A189 K197 | A189-E193 PolarHBondContact O-N 2.92Å; A189-E193 VanDerWaalsContact O-N 3.15Å; E193-K197 WeakPolarHBondContact O-CB 3.49Å; E193-K197 WeakPolarHBondContact O-CG 3.24Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.7Å |
| 194 | K | 41.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 54% | 0.543 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.6 | -34.5 | 170.4 | -77.4 | 177.2 | -178.8 | 175 | 0 | 112.9 | I190 K197 K198 | I190-K194 HydrophobicContact CG2-CD 3.89Å; I190-K194 HydrophobicContact CG2-CG 4.39Å; I190-K194 VanDerWaalsContact O-CB 3.22Å; I190-K194 WeakPolarHBondContact O-CB 3.5Å; I190-K194 WeakPolarHBondContact O-CG 3.39Å; I190-K194 PolarHBondContact O-N 3.15Å; K194-K197 PolarHBondContact O-N 3.5Å; K194-K198 VanDerWaalsContact O-CB 3.3Å; K194-K198 WeakPolarHBondContact O-CB 3.29Å; K194-K198 PolarHBondContact O-N 3.1Å |
| 195 | L | 35.9 | Very low | 36.2 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 172.8 | -90.2 | 156.9 | 0 | 0 | 0 | 111.6 | D191 L192 R199 | D191-L195 WeakPolarHBondContact O-CB 3.4Å; D191-L195 WeakPolarHBondContact O-CD1 3.49Å; D191-L195 WeakPolarHBondContact O-CG 3.42Å; D191-L195 PolarHBondContact O-N 3.49Å; L192-L195 PolarHBondContact O-N 3Å; L195-R199 PolarHBondContact O-N 3.02Å |
| 196 | L | 39.5 | Very low | 36.1 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68 | -42.4 | 174.3 | -72.8 | 164 | 0 | 0 | 0 | 111.7 | L192 R199 Q200 | L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.04Å; L196-R199 PolarHBondContact O-N 2.93Å; L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.81Å |
| 197 | K | 47.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.1 | -32.8 | 176.7 | -74.3 | 176.4 | 179.8 | 169.4 | 0 | 114.1 | E193 K194 R199 T201 | E193-K197 WeakPolarHBondContact O-CB 3.49Å; E193-K197 WeakPolarHBondContact O-CG 3.24Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.7Å; K194-K197 PolarHBondContact O-N 3.5Å; K197-R199 VanDerWaalsContact C-N 3.34Å; K197-T201 PolarHBondContact O-OG1 3.01Å |
| 198 | K | 44.7 | Very low | 35.7 | Very low | 157 Ų | 157 | 119.6 Ų | 119.6 | 68% | 0.683 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.7 | -22.5 | 174.1 | -88.8 | -175.8 | 173.5 | 178.9 | 0 | 113.8 | K194 T201 | K194-K198 VanDerWaalsContact O-CB 3.3Å; K194-K198 WeakPolarHBondContact O-CB 3.29Å; K194-K198 PolarHBondContact O-N 3.1Å; K198-T201 PolarHBondContact O-OG1 3.1Å |
| 199 | R | 37.9 | Very low | 35.5 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 48% | 0.475 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -86 | -30.5 | 175.6 | -87.8 | -171.6 | 168.1 | 164.7 | -3 | 113.4 | F56 L195 L196 K197 T201 K202 | F56-R199 VanDerWaalsContact CZ-NH1 3.32Å; L195-R199 PolarHBondContact O-N 3.02Å; L196-R199 PolarHBondContact O-N 2.93Å; K197-R199 VanDerWaalsContact C-N 3.34Å; R199-T201 PolarHBondContact O-N 3.19Å; R199-K202 PolarHBondContact O-N 2.89Å |
| 200 | Q | 39.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -11.9 | 173.8 | -72.8 | 179.6 | -4.9 | 0 | 0 | 113.7 | L196 | L196-Q200 WeakPolarHBondContact O-CG 3.26Å; L196-Q200 PolarHBondContact O-N 2.81Å |
| 201 | T | 39.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.693 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 4.1 | -179.1 | 33.2 | 0 | 0 | 0 | 0 | 114.1 | K197 K198 R199 | K197-T201 PolarHBondContact O-OG1 3.01Å; K198-T201 PolarHBondContact O-OG1 3.1Å; R199-T201 PolarHBondContact O-N 3.19Å |
| 202 | K | 36 | Very low | 35 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -126.9 | 71.8 | 174.6 | -74.3 | -173.2 | 174.1 | -172.5 | 0 | 110 | R199 P204 | R199-K202 PolarHBondContact O-N 2.89Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å | ||
| 203 | E | 29.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | trans | -82.7 | 116 | 155.5 | -79.7 | -151 | 150.7 | 0 | 0 | 108.6 | ||||
| 204 | P | 35.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -86.1 | 110.5 | 156.3 | 25.1 | -11.1 | 0 | 0 | 0 | 108.1 | K202 | K202-P204 WeakPolarHBondContact O-CD 3.46Š| ||
| 205 | T | 28.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | -35.5 | 142 | 158.3 | -37 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 206 | A | 30.3 | Very low | 33.3 | Very low | 85 Ų | 85 | 152.9 Ų | 152.9 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 110.3 | 87 | 162 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 207 | L | 27.5 | Very low | 32.7 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | 37.5 | 112.4 | 121.4 | -72.5 | 151.3 | 0 | 0 | 0 | 118.6 | |||||
| 208 | N | 28.5 | Very low | 31.8 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -139 | 116.6 | 135.2 | -138.6 | -27.7 | 0 | 0 | 0 | 110.2 | ||||
| 209 | P | 29.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -93.8 | 113.6 | -164.7 | 34.1 | -29.4 | 0 | 0 | 0 | 111.5 | ||||
| 210 | R | 29.4 | Very low | 30.9 | Very low | 245 Ų | 245 | 150.6 Ų | 150.6 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -166.4 | 32.2 | 160.8 | -113.1 | 169 | -167.5 | -176.7 | 4.5 | 115.4 | ||||
| 211 | I | 30.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -94.7 | 125.1 | 179.4 | -56.5 | 175.6 | 0 | 0 | 0 | 110.8 | R213 | I211-R213 PolarHBondContact O-N 2.83Š| ||
| 212 | P | 31 | Very low | 30 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | trans | -70.6 | 98.6 | 174 | -14.4 | 29.2 | 0 | 0 | 0 | 112.9 | W214 | P212-W214 HydrophobicContact CB-CZ2 4.39Å; P212-W214 PolarHBondContact O-N 3.11Å | ||
| 213 | R | 27 | Very low | 29.8 | Very low | 235 Ų | 235 | 149.9 Ų | 149.9 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 19.3 | 28 | 139.8 | -83.3 | -171.3 | 173 | -172 | -1.4 | 124.3 | I211 | I211-R213 PolarHBondContact O-N 2.83Š|
| 214 | W | 30.3 | Very low | 29.7 | Very low | 224 Ų | 224 | 150.2 Ų | 150.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -118.9 | 11.5 | 179.4 | -29.1 | -29.1 | 0 | 0 | 0 | 116 | P212 | P212-W214 HydrophobicContact CB-CZ2 4.39Å; P212-W214 PolarHBondContact O-N 3.11Å | ||
| 215 | Q | 31.8 | Very low | 29.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 58% | 0.579 | 77% | 0.772 | S | S | * | * | trans | -120.5 | 17 | -175 | -91.4 | 179 | -21.9 | 0 | 0 | 115.7 | H53 | H53-Q215 PolarHBondContact CD2-NE2 2.82Å; H53-Q215 PolarHBondContact CE1-NE2 2.82Å; H53-Q215 PolarHBondContact NE2-NE2 3.47Å | ||
| 216 | Y | 26.6 | Very low | 29.3 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | -103.8 | 83.5 | 169.8 | -71 | -79.2 | 0 | 0 | 0 | 110.8 | ||||
| 217 | S | 26.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 155.2 Ų | 155.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -176.3 | 83.2 | 152.2 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 218 | Q | 27.5 | Very low | 29.3 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -109.6 | 121.5 | 147 | -73.8 | -151.6 | -35.4 | 0 | 0 | 106.7 | E50 | E50-Q218 VanDerWaalsContact CD-CG 3.43Å; E50-Q218 HydrophobicContact CG-CG 4.35Å; E50-Q218 WeakPolarHBondContact OE1-CG 3.36Å; E50-Q218 WeakPolarHBondContact OE2-CG 3.48Å; E50-Q218 PolarHBondContact OE2-NE2 3.4Å | ||
| 219 | P | 30.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -78.8 | 128.1 | -176.6 | 28.4 | -30.2 | 0 | 0 | 0 | 111.6 | A221 | P219-A221 PolarHBondContact O-N 3.17Š| ||
| 220 | T | 34.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -55.3 | 126.8 | 167.7 | 20.6 | 0 | 0 | 0 | 0 | 110.7 | D222 | T220-D222 PolarHBondContact O-N 3.44Š| ||
| 221 | A | 29 | Very low | 29.5 | Very low | 88 Ų | 88 | 156.8 Ų | 156.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -75 | 87.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P219 | P219-A221 PolarHBondContact O-N 3.17Š|
| 222 | D | 30.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -164.8 | 35.9 | 164.3 | -96.6 | -20.4 | 0 | 0 | 0 | 113 | T220 | T220-D222 PolarHBondContact O-N 3.44Š| ||
| 223 | Q | 31.6 | Very low | 29.4 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -137.3 | 66.7 | 170.9 | -68.6 | -169.7 | 15.5 | 0 | 0 | 111.3 | ||||
| 224 | Q | 28.2 | Very low | 29.6 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -89.7 | 84.8 | 155.8 | -78.5 | -172.8 | -16.6 | 0 | 0 | 108.4 | ||||
| 225 | T | 28.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | -174.7 | 134.9 | 150.9 | 4.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 226 | Y | 25.5 | Very low | 29.4 | Very low | 221 Ų | 221 | 153 Ų | 153 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 66 | 109.5 | 160 | -57.4 | -69.3 | 0 | 0 | 0 | 119.7 | ||||
| 227 | S | 30.1 | Very low | 29.7 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 170.9 | 110.9 | 100.4 | -176 | 0 | 0 | 0 | 0 | 111 | |||||
| 228 | T | 27.6 | Very low | 30.2 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 127.1 | 164 | -1.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 229 | R | 29.3 | Very low | 30.2 | Very low | 232 Ų | 232 | 157.6 Ų | 157.6 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -175.3 | 95.2 | 146.3 | -102.9 | 168.5 | -169.7 | -147.1 | 3.1 | 108.3 | ||||
| 230 | Q | 30.3 | Very low | 30.5 | Very low | 180 Ų | 180 | 159.7 Ų | 159.7 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | 55.9 | 101.6 | 105.1 | -76.6 | -167.9 | -19.2 | 0 | 0 | 114.2 | |||||
| 231 | N | 32.7 | Very low | 30.8 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | -163.8 | 104.9 | 119.4 | -113 | -16.6 | 0 | 0 | 0 | 112.9 | |||||
| 232 | N | 29.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 159.2 Ų | 159.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 17.3 | 113.7 | 137.7 | -71.5 | -11.9 | 0 | 0 | 0 | 119.5 | ||||
| 233 | N | 30.2 | Very low | 32.2 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | 166.5 | 114.8 | 103.7 | -90.1 | -19 | 0 | 0 | 0 | 110.9 | |||||
| 234 | G | 30.3 | Very low | 32.7 | Very low | 63 Ų | 63 | 152.7 Ų | 152.7 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | 149.2 | 82.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V236 | G234-V236 PolarHBondContact O-N 3.15Š| ||
| 235 | Y | 26.9 | Very low | 33.5 | Very low | 245 Ų | 245 | 146.6 Ų | 146.6 | 96% | 0.961 | 75% | 0.751 | S | S | * | * | trans | -49.1 | 100.5 | 171.2 | -92.8 | -102.4 | 0 | 0 | 0 | 110.9 | ||||
| 236 | V | 30.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -109.4 | 102.1 | 161.2 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | G234 | G234-V236 PolarHBondContact O-N 3.15Š| ||
| 237 | R | 32.9 | Very low | 35.9 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -46.9 | 128.1 | 175.6 | -145.5 | 178.9 | -164.8 | -142 | 3.9 | 109.5 | Y239 | R237-Y239 PolarHBondContact O-N 3.4Š| ||
| 238 | P | 36.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | trans | -58.8 | 129.7 | 169.2 | -15.4 | 27.8 | 0 | 0 | 0 | 107.9 | Q240 | P238-Q240 PolarHBondContact O-N 3.47Š| ||
| 239 | Y | 29.1 | Very low | 38.2 | Very low | 234 Ų | 234 | 141.6 Ų | 141.6 | 92% | 0.918 | 71% | 0.706 | S | S | * | * | trans | -55.8 | 103 | 171.8 | -112 | -93.6 | 0 | 0 | 0 | 108.2 | R237 | R237-Y239 PolarHBondContact O-N 3.4Š| ||
| 240 | Q | 36.3 | Very low | 39.5 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.3 | 162.7 | -123.8 | 168.9 | -23.9 | 0 | 0 | 106.5 | P238 N242 | P238-Q240 PolarHBondContact O-N 3.47Å; Q240-N242 PolarHBondContact O-N 3.31Å; Q240-N242 VanDerWaalsContact O-N 3.08Å |
| 241 | P | 39.7 | Very low | 41.1 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120 | 171.4 | 16.6 | -16.9 | 0 | 0 | 0 | 106.9 | D243 | P241-D243 PolarHBondContact O-N 2.9Š|
| 242 | N | 43.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 116.3 | 177.4 | -119.2 | 0.7 | 0 | 0 | 0 | 107.9 | Q240 D244 A245 | Q240-N242 PolarHBondContact O-N 3.31Å; Q240-N242 VanDerWaalsContact O-N 3.08Å; N242-D244 PolarHBondContact O-N 3.02Å; N242-A245 PolarHBondContact O-N 2.85Å |
| 243 | D | 46.7 | Very low | 43.6 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52.4 | -25.9 | 175.2 | -77.7 | -39.7 | 0 | 0 | 0 | 111.6 | P241 A245 Q246 R247 | P241-D243 PolarHBondContact O-N 2.9Å; D243-A245 PolarHBondContact O-N 3.02Å; D243-Q246 PolarHBondContact O-N 3.1Å; D243-R247 WeakPolarHBondContact O-CB 3.32Å; D243-R247 PolarHBondContact O-N 2.81Å |
| 244 | D | 42.2 | Very low | 45.1 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 46% | 0.46 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -33 | 174.8 | -72.6 | -25.9 | 0 | 0 | 0 | 114 | N242 R247 L248 | N242-D244 PolarHBondContact O-N 3.02Å; D244-R247 IonicContact OD1-NH1 3.65Å; D244-L248 WeakPolarHBondContact O-CB 3.32Å; D244-L248 PolarHBondContact O-N 3.05Å |
| 245 | A | 45 | Very low | 46.2 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 50% | 0.504 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.3 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | N242 D243 V249 | N242-A245 PolarHBondContact O-N 2.85Å; D243-A245 PolarHBondContact O-N 3.02Å; A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3Å |
| 246 | Q | 51.5 | Low | 47.4 | Very low | 130 Ų | 130 | 123 Ų | 123 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74 | -38 | 172.7 | -72.4 | -173.2 | 0.9 | 0 | 0 | 111.6 | D243 L248 V249 A250 | D243-Q246 PolarHBondContact O-N 3.1Å; Q246-L248 PolarHBondContact O-N 2.86Å; Q246-V249 PolarHBondContact O-N 3.35Å; Q246-A250 PolarHBondContact O-N 3.03Å |
| 247 | R | 51.8 | Low | 48.6 | Very low | 164 Ų | 164 | 123.2 Ų | 123.2 | 62% | 0.619 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.5 | -41.4 | 171.6 | -106.3 | -178.7 | 66.4 | -153.6 | 1.9 | 113 | D243 D244 V249 A250 Q251 | D243-R247 WeakPolarHBondContact O-CB 3.32Å; D243-R247 PolarHBondContact O-N 2.81Å; D244-R247 IonicContact OD1-NH1 3.65Å; R247-V249 VanDerWaalsContact C-N 3.32Å; R247-V249 PolarHBondContact O-N 2.72Å; R247-A250 PolarHBondContact O-N 3.37Å; R247-Q251 VanDerWaalsContact O-CB 3.31Å; R247-Q251 WeakPolarHBondContact O-CB 3.33Å; R247-Q251 PolarHBondContact O-N 3.28Å |
| 248 | L | 52.5 | Low | 49.7 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -30.6 | 178 | -99.9 | 148.5 | 0 | 0 | 0 | 113.2 | D244 Q246 R252 | D244-L248 WeakPolarHBondContact O-CB 3.32Å; D244-L248 PolarHBondContact O-N 3.05Å; Q246-L248 PolarHBondContact O-N 2.86Å; L248-R252 WeakPolarHBondContact O-CB 3.31Å; L248-R252 PolarHBondContact O-N 3.02Å |
| 249 | V | 54.2 | Low | 50.4 | Low | 79 Ų | 79 | 124.9 Ų | 124.9 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.6 | -42.8 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | A245 Q246 R247 R252 Q253 | A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3Å; Q246-V249 PolarHBondContact O-N 3.35Å; R247-V249 VanDerWaalsContact C-N 3.32Å; R247-V249 PolarHBondContact O-N 2.72Å; V249-R252 PolarHBondContact O-N 3.08Å; V249-Q253 PolarHBondContact O-N 2.85Å; V249-Q253 VanDerWaalsContact O-N 3.1Å |
| 250 | A | 57.7 | Low | 51.4 | Low | 56 Ų | 56 | 117.6 Ų | 117.6 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q246 R247 Q253 S254 | Q246-A250 PolarHBondContact O-N 3.03Å; R247-A250 PolarHBondContact O-N 3.37Å; A250-Q253 PolarHBondContact O-N 2.68Å; A250-S254 PolarHBondContact O-N 3.12Å; A250-S254 VanDerWaalsContact O-N 3.13Å |
| 251 | Q | 62.4 | Low | 52.1 | Low | 106 Ų | 106 | 117.5 Ų | 117.5 | 50% | 0.495 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.9 | -42 | 177.1 | -165.3 | 168.6 | 11.6 | 0 | 0 | 111.5 | R247 Q253 S254 D255 | R247-Q251 VanDerWaalsContact O-CB 3.31Å; R247-Q251 WeakPolarHBondContact O-CB 3.33Å; R247-Q251 PolarHBondContact O-N 3.28Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å; Q251-D255 PolarHBondContact O-N 3.35Å |
| 252 | R | 56.5 | Low | 52.2 | Low | 179 Ų | 179 | 117.3 Ų | 117.3 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -31.2 | 175.4 | -92.9 | -156.6 | -86.8 | -172.2 | -6.4 | 113.9 | L248 V249 Y256 | L248-R252 WeakPolarHBondContact O-CB 3.31Å; L248-R252 PolarHBondContact O-N 3.02Å; V249-R252 PolarHBondContact O-N 3.08Å; R252-Y256 PolarHBondContact O-N 2.9Å |
| 253 | Q | 58.8 | Low | 51.8 | Low | 129 Ų | 129 | 115.5 Ų | 115.5 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.4 | -40.5 | 173.4 | -75.6 | 175 | -21 | 0 | 0 | 111.3 | V249 A250 Q251 D255 Y256 E257 | V249-Q253 PolarHBondContact O-N 2.85Å; V249-Q253 VanDerWaalsContact O-N 3.1Å; A250-Q253 PolarHBondContact O-N 2.68Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q253-D255 PolarHBondContact O-N 3.06Å; Q253-Y256 PolarHBondContact O-N 3.39Å; Q253-E257 PolarHBondContact O-N 3.44Å |
| 254 | S | 61.4 | Low | 51.3 | Low | 45 Ų | 45 | 118.1 Ų | 118.1 | 32% | 0.315 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -33.7 | 176.9 | 83.7 | 0 | 0 | 0 | 0 | 113.7 | A250 Q251 Y256 E257 K258 | A250-S254 PolarHBondContact O-N 3.12Å; A250-S254 VanDerWaalsContact O-N 3.13Å; Q251-S254 PolarHBondContact O-N 3.26Å; Q251-S254 PolarHBondContact O-OG 3.32Å; S254-Y256 VanDerWaalsContact C-N 3.33Å; S254-E257 PolarHBondContact O-N 2.89Å; S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 WeakPolarHBondContact O-CG 3.43Å; S254-K258 PolarHBondContact O-N 3.01Å |
| 255 | D | 54.7 | Low | 50.7 | Low | 81 Ų | 81 | 122.6 Ų | 122.6 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.8 | -27.8 | 178 | -71 | -28.4 | 0 | 0 | 0 | 112.1 | Q251 Q253 R259 | Q251-D255 PolarHBondContact O-N 3.35Å; Q253-D255 PolarHBondContact O-N 3.06Å; D255-R259 PolarHBondContact O-N 2.95Å |
| 256 | Y | 51.4 | Low | 50 | Low | 189 Ų | 189 | 125.9 Ų | 125.9 | 74% | 0.741 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.7 | -40.2 | 174.2 | -122.3 | -89.9 | 0 | 0 | 0 | 111.7 | R252 Q253 S254 R259 A260 | R252-Y256 PolarHBondContact O-N 2.9Å; Q253-Y256 PolarHBondContact O-N 3.39Å; S254-Y256 VanDerWaalsContact C-N 3.33Å; Y256-R259 PolarHBondContact O-N 3.47Å; Y256-A260 PolarHBondContact O-N 3.29Å; Y256-A260 VanDerWaalsContact O-N 3.11Å |
| 257 | E | 55.8 | Low | 48.8 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.3 | -34.6 | 174.3 | -75.7 | -179.1 | 159.1 | 0 | 0 | 112.6 | Q253 S254 A260 N261 | Q253-E257 PolarHBondContact O-N 3.44Å; S254-E257 PolarHBondContact O-N 2.89Å; E257-A260 PolarHBondContact O-N 3.26Å; E257-N261 PolarHBondContact O-N 3.48Å; E257-N261 PolarHBondContact O-ND2 2.87Å |
| 258 | K | 56.5 | Low | 47.7 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 63% | 0.63 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.9 | -32.2 | 174.4 | -78.7 | -179.8 | 179.1 | 177.6 | 0 | 113.5 | S254 T262 | S254-K258 WeakPolarHBondContact O-CB 3.5Å; S254-K258 WeakPolarHBondContact O-CG 3.43Å; S254-K258 PolarHBondContact O-N 3.01Å; K258-T262 PolarHBondContact O-N 3.39Å; K258-T262 PolarHBondContact O-OG1 2.98Å |
| 259 | R | 51.6 | Low | 46.4 | Very low | 213 Ų | 213 | 123.4 Ų | 123.4 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.2 | -26.3 | 174.3 | -81.8 | -175 | 173.6 | -168.9 | -1.3 | 113.6 | D255 Y256 N261 | D255-R259 PolarHBondContact O-N 2.95Å; Y256-R259 PolarHBondContact O-N 3.47Å; R259-N261 VanDerWaalsContact C-N 3.33Å |
| 260 | A | 49.3 | Very low | 45.3 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.3 | -23.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y256 E257 | Y256-A260 PolarHBondContact O-N 3.29Å; Y256-A260 VanDerWaalsContact O-N 3.11Å; E257-A260 PolarHBondContact O-N 3.26Å |
| 261 | N | 50.7 | Low | 44.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.4 | 2.7 | -176.1 | -73.9 | -25.1 | 0 | 0 | 0 | 115.1 | E257 R259 | E257-N261 PolarHBondContact O-N 3.48Å; E257-N261 PolarHBondContact O-ND2 2.87Å; R259-N261 VanDerWaalsContact C-N 3.33Å |
| 262 | T | 42.9 | Very low | 42.3 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 56% | 0.564 | 70% | 0.701 | S | S | * | * | trans | -111.6 | 92 | 175.3 | 40.2 | 0 | 0 | 0 | 0 | 109.3 | K258 H264 | K258-T262 PolarHBondContact O-N 3.39Å; K258-T262 PolarHBondContact O-OG1 2.98Å; T262-H264 PolarHBondContact O-N 3.39Å | ||
| 263 | G | 34.9 | Very low | 41.1 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -65.6 | 66.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E265 | G263-E265 PolarHBondContact O-N 3.38Š| ||
| 264 | H | 35.6 | Very low | 39.5 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -89.5 | 98.9 | 173.6 | -106.6 | -56.8 | 0 | 0 | 0 | 110.9 | T262 C266 | T262-H264 PolarHBondContact O-N 3.39Å; H264-C266 PolarHBondContact O-N 3.13Å | ||
| 265 | E | 29.3 | Very low | 38 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | -49 | 125.2 | 161.7 | -58.9 | 179 | 157.3 | 0 | 0 | 110.7 | G263 | G263-E265 PolarHBondContact O-N 3.38Š| ||
| 266 | C | 29.9 | Very low | 36.6 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -140.2 | 97.7 | 154.7 | -111.7 | 0 | 0 | 0 | 0 | 108.2 | H264 | H264-C266 PolarHBondContact O-N 3.13Š| ||
| 267 | A | 26.5 | Very low | 35.6 | Very low | 78 Ų | 78 | 147.1 Ų | 147.1 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | -56.2 | 131.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 268 | H | 30 | Very low | 34.3 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | 178.7 | 107.7 | 111.9 | -85.4 | -49.7 | 0 | 0 | 0 | 111 | |||||
| 269 | S | 25.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 53.1 | 101.2 | 135.5 | 55.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 270 | Y | 30.7 | Very low | 31.9 | Very low | 238 Ų | 238 | 141.3 Ų | 141.3 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | trans | -147.6 | 140.7 | 133.6 | -85.7 | -74.3 | 0 | 0 | 0 | 110.6 | ||||
| 271 | S | 31.2 | Very low | 31 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -62 | 139.6 | -166.3 | 50.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 272 | N | 25.1 | Very low | 30 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -50.7 | 136.1 | 168.8 | -86.2 | -25.7 | 0 | 0 | 0 | 114.7 | Y274 | N272-Y274 HydrophobicContact CB-CD2 4.41Å; N272-Y274 HydrophobicContact CB-CE2 4.33Å | ||
| 273 | T | 31.9 | Very low | 29.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -146.3 | 116.7 | 136.6 | 1.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 274 | Y | 25.1 | Very low | 29.7 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 73% | 0.725 | 80% | 0.797 | S | S | * | * | trans | -68 | 133.9 | -176.4 | -79.5 | -112.3 | 0 | 0 | 0 | 111.5 | N272 | N272-Y274 HydrophobicContact CB-CD2 4.41Å; N272-Y274 HydrophobicContact CB-CE2 4.33Å | ||
| 275 | F | 29.5 | Very low | 29.3 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | trans | -138.5 | 114 | 145.9 | -89 | -79.6 | 0 | 0 | 0 | 109.5 | ||||
| 276 | Q | 25.9 | Very low | 29.5 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.1 | 177.7 | -136.4 | 164.4 | 4.6 | 0 | 0 | 109.4 | ||
| 277 | M | 29.4 | Very low | 29.5 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 135 | 166.4 | -82.1 | -169.1 | 70.3 | 0 | 0 | 109.6 | ||
| 278 | P | 28.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 124.9 | 172.3 | 29.9 | -29.2 | 0 | 0 | 0 | 110.3 | ||
| 279 | T | 27 | Very low | 29.5 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125.8 | 168.8 | -46.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 280 | V | 31.9 | Very low | 29.6 | Very low | 135 Ų | 135 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -126.8 | 116.2 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 281 | D | 29.9 | Very low | 29.7 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 152.2 | -178.9 | -79.6 | -54.5 | 0 | 0 | 0 | 113.8 | ||
| 282 | P | 29.3 | Very low | 29.5 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 136.5 | 176.6 | 32.3 | -31.4 | 0 | 0 | 0 | 111.4 | ||
| 283 | P | 36.3 | Very low | 29.8 | Very low | 132 Ų | 132 | 156.1 Ų | 156.1 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.1 | 170 | 30.1 | -29.6 | 0 | 0 | 0 | 110.6 | ||
| 284 | K | 35.2 | Very low | 29.7 | Very low | 205 Ų | 205 | 158.3 Ų | 158.3 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.8 | -173.9 | -70.4 | 170.8 | 174.7 | 174.2 | 0 | 113.8 | ||
| 285 | K | 27.6 | Very low | 30 | Very low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 134.8 | 162.7 | -70.9 | 176.7 | 174.9 | 179.3 | 0 | 111 | ||
| 286 | A | 33.1 | Very low | 30.1 | Very low | 103 Ų | 103 | 154.8 Ų | 154.8 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -122.1 | 139.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 287 | T | 30.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | trans | -95.2 | 150.1 | -156.4 | -36.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 288 | S | 25.4 | Very low | 30.6 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | 1.5 | 138.8 | 158.8 | 67.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 289 | S | 32.3 | Very low | 30.9 | Very low | 121 Ų | 121 | 152 Ų | 152 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | -151.1 | 130.2 | 116.3 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 290 | Q | 27 | Very low | 31.1 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -68 | 145.1 | 167 | -65.5 | 165.9 | -47.4 | 0 | 0 | 109.6 | ||||
| 291 | V | 31.8 | Very low | 31.1 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | -153.4 | 130.4 | 125.5 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 292 | Q | 26.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -90.6 | 140.8 | -177.9 | -171.9 | -179.3 | 26.6 | 0 | 0 | 109.7 | ||||
| 293 | R | 33 | Very low | 31.3 | Very low | 258 Ų | 258 | 151.7 Ų | 151.7 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | trans | -171 | 147.6 | 141.6 | -104.3 | 173.4 | -152 | -157 | 7.7 | 113 | ||||
| 294 | Q | 28.3 | Very low | 31.1 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -95.2 | 176 | -157.6 | -105.8 | -178.1 | -16.8 | 0 | 0 | 114.6 | ||||
| 295 | P | 32.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -97 | 164.8 | -164.6 | 39.1 | -34.7 | 0 | 0 | 0 | 114.7 | ||||
| 296 | Q | 32.6 | Very low | 31.3 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -142.5 | 133.7 | 163.6 | -84.4 | -173.2 | -28.8 | 0 | 0 | 112.8 | ||||
| 297 | T | 29 | Very low | 31.6 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -79.2 | 154.4 | 171.5 | 30 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 298 | E | 36.4 | Very low | 31.8 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | 167 | 148.7 | 144 | -94.6 | 176.3 | -176.6 | 0 | 0 | 107.6 | ||||
| 299 | A | 33.7 | Very low | 32.3 | Very low | 80 Ų | 80 | 156.3 Ų | 156.3 | 66% | 0.661 | 83% | 0.829 | S | S | * | * | cis | -175.3 | 171.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 300 | V | 32.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | trans | 85.9 | 101.3 | 151.3 | -162.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 301 | Q | 31.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | 61.7 | 137.5 | 88.7 | -57.4 | 176.9 | 2.3 | 0 | 0 | 113.6 | |||||
| 302 | T | 33.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | cis | -172.6 | 134.8 | 47 | 17.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 303 | A | 30 | Very low | 34 | Very low | 84 Ų | 84 | 152.3 Ų | 152.3 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | 96.9 | 129.6 | 81.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 304 | S | 32.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | 111.6 | 109.9 | 139.8 | -37.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 305 | Q | 28.5 | Very low | 34.7 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -79.3 | -169.7 | 158.6 | -93.7 | -167.9 | -22.4 | 0 | 0 | 111.4 | ||||
| 306 | P | 38.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | -132.2 | 175.9 | -54.1 | 38.1 | -21.5 | 0 | 0 | 0 | 111.6 | |||||
| 307 | R | 39.1 | Very low | 35 | Very low | 250 Ų | 250 | 144.5 Ų | 144.5 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -154.4 | 140.1 | 155.7 | -83.1 | -157.8 | 175.2 | 172.1 | -2.7 | 113.9 | ||||
| 308 | D | 32.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 155.7 | 174.8 | -62.9 | -64.5 | 0 | 0 | 0 | 114.6 | ||||
| 309 | D | 36.6 | Very low | 35 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | 178.4 | 139.8 | 113.9 | -106.3 | -33.2 | 0 | 0 | 0 | 115.7 | |||||
| 310 | A | 38.9 | Very low | 35 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 66.3 | 99.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 311 | E | 38.6 | Very low | 35.3 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | 20.7 | 128.7 | 119.2 | -111.2 | -173.4 | 174.1 | 0 | 0 | 122.9 | |||||
| 312 | K | 40.1 | Very low | 35.4 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | 152.3 | 109.4 | 127.4 | -85.3 | 174.1 | -177 | -179.1 | 0 | 110.5 | |||||
| 313 | A | 35 | Very low | 35.4 | Very low | 87 Ų | 87 | 145.9 Ų | 145.9 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | 101 | 136.6 | 76.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 314 | I | 39.2 | Very low | 35.7 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | 120.2 | 100.8 | 145.7 | -56.6 | 165.4 | 0 | 0 | 0 | 118.3 | ||||
| 315 | K | 38.4 | Very low | 35.6 | Very low | 194 Ų | 194 | 152.3 Ų | 152.3 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 61.6 | 140.2 | 133.8 | -64.2 | 178.8 | -177.4 | 178 | 0 | 123.7 | ||||
| 316 | P | 33.7 | Very low | 35.8 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -96.1 | 155.3 | 172.6 | 38.5 | -31 | 0 | 0 | 0 | 113 | ||||
| 317 | S | 35.6 | Very low | 35.4 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -128.4 | 130.4 | 168.5 | -172 | 0 | 0 | 0 | 0 | 111 | ||||
| 318 | T | 32.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 87% | 0.871 | 83% | 0.827 | S | S | * | * | trans | -95 | 140.9 | 172.8 | 27.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 319 | A | 34.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -136.5 | 119.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | K | 33.2 | Very low | 35.2 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -84.2 | 135.3 | 167.9 | -103.2 | 176.6 | 167.8 | -179.6 | 0 | 108.9 | ||||
| 321 | I | 38.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -157 | 99 | 143.7 | -49.5 | -177.8 | 0 | 0 | 0 | 106.7 | ||||
| 322 | T | 34.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | 65.8 | 124.8 | 93.5 | -30 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 323 | P | 33.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | trans | -97.9 | 153.1 | 179.3 | 37.8 | -30.8 | 0 | 0 | 0 | 112.6 | ||||
| 324 | E | 35.8 | Very low | 34.3 | Very low | 202 Ų | 202 | 144 Ų | 144 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -160.2 | 155 | 147.6 | -79.7 | -146.4 | 154.3 | 0 | 0 | 111.9 | ||||
| 325 | T | 29.8 | Very low | 33.9 | Very low | 142 Ų | 142 | 146 Ų | 146 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | trans | -73.6 | 152.9 | -164.4 | -35.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 326 | G | 32.6 | Very low | 33.6 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -169.4 | 106.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 327 | E | 29.7 | Very low | 33.4 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -68.7 | 139.3 | 167.8 | -68.6 | 172 | 139 | 0 | 0 | 111.1 | ||||
| 328 | S | 36.4 | Very low | 33.1 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | 168.2 | 132.6 | 127.8 | 60 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 329 | D | 33.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -11.9 | 143.3 | 156.9 | -53.4 | -38 | 0 | 0 | 0 | 116.5 | ||||
| 330 | N | 34.8 | Very low | 33 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | -178.9 | 160.8 | 53.3 | -136.7 | -9.8 | 0 | 0 | 0 | 110.2 | |||||
| 331 | E | 32.7 | Very low | 32.9 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | 86 | 136.2 | 151 | -66.1 | -166.2 | 172.4 | 0 | 0 | 123.9 | ||||
| 332 | E | 31 | Very low | 32.6 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | 73.8 | 86.9 | 159.4 | -71.5 | -174.9 | 141.7 | 0 | 0 | 120.1 | ||||
| 333 | G | 34 | Very low | 33 | Very low | 81 Ų | 81 | 157.8 Ų | 157.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -144.4 | 105.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 334 | T | 35.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 158 Ų | 158 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -73.6 | 141.7 | -176 | 22.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 335 | K | 30.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 158.5 Ų | 158.5 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | 63.5 | 105.6 | 146.5 | -62.5 | 173 | -178.5 | 176.7 | 0 | 118.8 | ||||
| 336 | E | 32.3 | Very low | 34 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 176.9 | 112.3 | 111.8 | -95.1 | 177.3 | -172.3 | 0 | 0 | 109.4 | L338 | E336-L338 PolarHBondContact O-N 3.1Š| |||
| 337 | Q | 30.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -66.7 | 119 | 177.3 | -78.5 | 173.8 | -1 | 0 | 0 | 110.6 | I339 | Q337-I339 PolarHBondContact O-N 3.37Š| ||
| 338 | L | 30.1 | Very low | 35.9 | Very low | 165 Ų | 165 | 157.4 Ų | 157.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -62.9 | 92.1 | 164.4 | -88.3 | 146 | 0 | 0 | 0 | 110 | E336 L340 | E336-L338 PolarHBondContact O-N 3.1Å; L338-L340 PolarHBondContact O-N 3.31Å; L338-L340 VanDerWaalsContact O-N 3.1Å | ||
| 339 | I | 33.3 | Very low | 36.7 | Very low | 123 Ų | 123 | 157.4 Ų | 157.4 | 63% | 0.631 | 81% | 0.806 | S | S | * | * | trans | -76.8 | 94.1 | 168.1 | -58.6 | 175.1 | 0 | 0 | 0 | 108 | Q337 Y341 | Q337-I339 PolarHBondContact O-N 3.37Å; I339-Y341 HydrophobicContact CG2-CD2 4.1Å; I339-Y341 HydrophobicContact CG2-CE2 4.06Å; I339-Y341 PolarHBondContact O-N 3.21Å; I339-Y341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | L | 31.3 | Very low | 37.4 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -66.7 | 104 | 163.1 | -115.1 | 101.2 | 0 | 0 | 0 | 108.4 | L338 R342 | L338-L340 PolarHBondContact O-N 3.31Å; L338-L340 VanDerWaalsContact O-N 3.1Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.46Å | ||
| 341 | Y | 31.4 | Very low | 38 | Very low | 215 Ų | 215 | 151.5 Ų | 151.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 93.2 | 166.9 | -87.6 | -90.2 | 0 | 0 | 0 | 109.5 | I339 K343 | I339-Y341 HydrophobicContact CG2-CD2 4.1Å; I339-Y341 HydrophobicContact CG2-CE2 4.06Å; I339-Y341 PolarHBondContact O-N 3.21Å; I339-Y341 VanDerWaalsContact O-N 3.13Å; Y341-K343 PolarHBondContact O-N 3.11Å | ||
| 342 | R | 32 | Very low | 39 | Very low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 122.3 | 165.3 | -82.1 | -178.6 | 170.4 | 156.8 | -0.9 | 108.4 | L340 | L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.46Å |
| 343 | K | 42.3 | Very low | 39.9 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 140.8 | 167.9 | -76.4 | -175.4 | 178.7 | -178.8 | 0 | 109.8 | Y341 K345 | Y341-K343 PolarHBondContact O-N 3.11Å; K343-K345 PolarHBondContact O-N 3.45Å |
| 344 | P | 36.7 | Very low | 40.7 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128.1 | 171.8 | -19 | 29.2 | 0 | 0 | 0 | 109.7 | L346 | P344-L346 PolarHBondContact O-N 2.89Š|
| 345 | K | 40.1 | Very low | 41.2 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -65.3 | 102.9 | 169.9 | -78.3 | -178 | 178.2 | 176.9 | 0 | 107.7 | K343 | K343-K345 PolarHBondContact O-N 3.45Š| ||
| 346 | L | 42.9 | Very low | 41.9 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.4 | 166.7 | -75.9 | 164.7 | 0 | 0 | 0 | 108.8 | P344 | P344-L346 PolarHBondContact O-N 2.89Š|
| 347 | P | 49.8 | Very low | 42.7 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.6 | 175.4 | 23.5 | -31.9 | 0 | 0 | 0 | 110.1 | S349 | P347-S349 PolarHBondContact O-N 3.03Š|
| 348 | P | 52.8 | Low | 43.4 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.4 | -178.7 | 22.9 | -32.1 | 0 | 0 | 0 | 110.2 | ||
| 349 | S | 52.2 | Low | 44.4 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.7 | 174.5 | -46.3 | 0 | 0 | 0 | 0 | 109.5 | P347 S351 | P347-S349 PolarHBondContact O-N 3.03Å; S349-S351 PolarHBondContact O-N 3.21Å |
| 350 | P | 48.8 | Very low | 45 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137 | -178.3 | 22.4 | -32.1 | 0 | 0 | 0 | 110.3 | V355 | P350-V355 HydrophobicContact CG-CG2 4.36Š|
| 351 | S | 47.4 | Very low | 45.9 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 49% | 0.49 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -52 | 143.5 | -179.7 | 84.9 | 0 | 0 | 0 | 0 | 110.7 | S349 K353 T354 | S349-S351 PolarHBondContact O-N 3.21Å; S351-K353 PolarHBondContact O-N 3Å; S351-K353 PolarHBondContact OG-N 3.49Å; S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.41Å; S351-T354 PolarHBondContact OG-N 2.79Å; S351-T354 PolarHBondContact OG-OG1 3.18Å |
| 352 | K | 54.5 | Low | 46.9 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -54.5 | -18.7 | 175.8 | -71.5 | -178.3 | 179.7 | 176.3 | 0 | 112.9 | Y356 | K352-Y356 WeakPolarHBondContact O-CD2 3.47Å |
| 353 | K | 50 | Low | 47.8 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 80% | 0.8 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.8 | -24.3 | 175.3 | -73.3 | -175.9 | 175 | -179.6 | 0 | 114 | S351 | S351-K353 PolarHBondContact O-N 3Å; S351-K353 PolarHBondContact OG-N 3.49Å |
| 354 | T | 49.3 | Very low | 48.2 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 49% | 0.485 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -86.8 | -24.7 | -179.9 | 8.1 | 0 | 0 | 0 | 0 | 113.4 | S351 | S351-T354 PolarHBondContact O-N 3.44Å; S351-T354 PolarHBondContact O-OG1 3.41Å; S351-T354 PolarHBondContact OG-N 2.79Å; S351-T354 PolarHBondContact OG-OG1 3.18Å |
| 355 | V | 48 | Very low | 48.8 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 44% | 0.442 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -74.7 | -29.1 | 178.4 | -177 | 0 | 0 | 0 | 0 | 112.1 | P350 | P350-V355 HydrophobicContact CG-CG2 4.36Å |
| 356 | Y | 45.5 | Very low | 49.3 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.1 | -20.1 | 177.6 | -86.7 | -90.8 | 0 | 0 | 0 | 114.4 | K352 | K352-Y356 WeakPolarHBondContact O-CD2 3.47Å |
| 357 | K | 48.5 | Very low | 49.3 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -81 | -27.1 | 174.3 | -79.7 | -168.1 | 174.7 | -174.6 | 0 | 113.5 | ||
| 358 | R | 45.5 | Very low | 49 | Very low | 206 Ų | 206 | 141.3 Ų | 141.3 | 78% | 0.777 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.5 | -36.2 | 178.2 | -80.1 | -175.3 | 176.6 | 171.1 | -1.2 | 113.2 | K360 N361 | R358-K360 PolarHBondContact O-N 3.47Å; R358-N361 PolarHBondContact O-N 3.49Å |
| 359 | K | 49.4 | Very low | 48.5 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 67% | 0.665 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.3 | -24.7 | 175.9 | -81.9 | -170.8 | 171.5 | -172.6 | 0 | 114.5 | ||
| 360 | K | 47.4 | Very low | 48.1 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 64% | 0.635 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -74.9 | -29.9 | 177.2 | -151.3 | 173.1 | -178.1 | -176.9 | 0 | 112.5 | R358 D364 | R358-K360 PolarHBondContact O-N 3.47Å; K360-D364 PolarHBondContact O-N 3.34Å |
| 361 | N | 50.1 | Low | 47.8 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -84 | -12.1 | 178.9 | -80.7 | -0.3 | 0 | 0 | 0 | 115.2 | R358 | R358-N361 PolarHBondContact O-N 3.49Å |
| 362 | E | 50.8 | Low | 47.1 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -92.8 | -28.3 | 173.3 | -86.9 | 178.1 | 155.1 | 0 | 0 | 112.8 | ||
| 363 | Q | 51.9 | Low | 46.4 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.5 | -27.5 | 174.4 | -79.7 | -176.5 | -39.8 | 0 | 0 | 113.5 | K365 | Q363-K365 VanDerWaalsContact C-N 3.25Å; Q363-K365 PolarHBondContact O-N 3.45Å |
| 364 | D | 50.7 | Low | 45.8 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 57% | 0.567 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 1.2 | 175.2 | -77.3 | -23.4 | 0 | 0 | 0 | 113.9 | K360 | K360-D364 PolarHBondContact O-N 3.34Š|
| 365 | K | 48.9 | Very low | 45.3 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -2.2 | 176.4 | -77 | -172.5 | 177.2 | -172.1 | 0 | 114.8 | Q363 | Q363-K365 VanDerWaalsContact C-N 3.25Å; Q363-K365 PolarHBondContact O-N 3.45Å |
| 366 | Q | 50.1 | Low | 45.2 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -108.9 | 7.1 | 177.7 | -85.9 | -177.4 | -13 | 0 | 0 | 114.5 | ||
| 367 | T | 43.7 | Very low | 45.2 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -125.1 | 67.6 | 176.6 | 28.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 368 | K | 44.4 | Very low | 45 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -135.2 | 116.9 | 157.4 | -80.2 | -168.5 | 176.6 | -174.3 | 0 | 109 | K370 | K368-K370 PolarHBondContact O-N 3.37Š| ||
| 369 | P | 41.7 | Very low | 44.9 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 125.3 | 167.7 | 28.9 | -29 | 0 | 0 | 0 | 107.4 | A371 | P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 2.75Å | ||
| 370 | K | 42.9 | Very low | 44.7 | Very low | 219 Ų | 219 | 151 Ų | 151 | 95% | 0.952 | 78% | 0.779 | S | S | * | * | trans | -69.4 | 96.6 | 163.1 | -89 | -174.4 | 171.9 | -174.4 | 0 | 107 | K368 | K368-K370 PolarHBondContact O-N 3.37Š| ||
| 371 | A | 42.2 | Very low | 44.5 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -83.1 | 135.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P369 | P369-A371 VanDerWaalsContact C-N 3.31Å; P369-A371 PolarHBondContact O-N 2.75Å | ||
| 372 | A | 34.6 | Very low | 44.1 | Very low | 88 Ų | 88 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 56.1 | 114 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 373 | D | 39.9 | Very low | 43.6 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | -168.8 | 107.4 | 120.9 | -96.6 | -27.2 | 0 | 0 | 0 | 107.2 | |||||
| 374 | Q | 37.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | 70.3 | 90 | 92.1 | -76.2 | -169.4 | 79.3 | 0 | 0 | 114.3 | |||||
| 375 | L | 38.3 | Very low | 42.1 | Very low | 252 Ų | 252 | 158.9 Ų | 158.9 | 100% | 1.319 | 84% | 0.84 | S | S | * | * | -163.2 | 0 | 122.1 | -105.9 | 160.6 | 0 | 0 | 0 | 109.4 |
Retrieved 375 of 375 residues in 167 ms
(Link to these results)