| 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 | 29 | Very low | 35.3 | Very low | 228 Ų | 228 | 122.5 Ų | 122.5 | 100% | 1.123 | 77% | 0.768 | S | S | * | * | 0 | 112.4 | 0 | -119.6 | 158.6 | 98 | 0 | 0 | 107.4 | I3 | M1-I3 PolarHBondContact O-N 3.29Š| |||
| 2 | V | 30.3 | Very low | 35.6 | Very low | 136 Ų | 136 | 128 Ų | 128 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 96.5 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | L4 | V2-L4 PolarHBondContact O-N 3.24Å; V2-L4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | I | 36.1 | Very low | 35.9 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | trans | -79.5 | 97.5 | 171.9 | -57.8 | 173.9 | 0 | 0 | 0 | 105.1 | M1 V5 | M1-I3 PolarHBondContact O-N 3.29Å; I3-V5 HydrophobicContact CG2-CG2 4.09Å; I3-V5 PolarHBondContact O-N 3.36Å | ||
| 4 | L | 37.7 | Very low | 36 | Very low | 148 Ų | 148 | 120 Ų | 120 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -67 | 88.3 | 172.1 | -149.9 | 102.1 | 0 | 0 | 0 | 106.6 | V2 A6 | V2-L4 PolarHBondContact O-N 3.24Å; V2-L4 VanDerWaalsContact O-N 3.15Å; L4-A6 PolarHBondContact O-N 3.38Å | ||
| 5 | V | 38.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | trans | -67.6 | 85.4 | 168.8 | 174.4 | 0 | 0 | 0 | 0 | 105.5 | I3 S7 | I3-V5 HydrophobicContact CG2-CG2 4.09Å; I3-V5 PolarHBondContact O-N 3.36Å; V5-S7 PolarHBondContact O-N 3.33Å | ||
| 6 | A | 39.1 | Very low | 36.5 | Very low | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 73% | 0.726 | S | S | . | * | trans | -68 | 86 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | L4 G8 | L4-A6 PolarHBondContact O-N 3.38Å; A6-G8 PolarHBondContact O-N 2.96Å | ||
| 7 | S | 33.2 | Very low | 36.9 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -54.5 | 104.4 | 164.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | V5 | V5-S7 PolarHBondContact O-N 3.33Š| ||
| 8 | G | 33.7 | Very low | 37.1 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 101.8 | 4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | A6 | A6-G8 PolarHBondContact O-N 2.96Š|
| 9 | S | 37.6 | Very low | 37.3 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -158.2 | -21.2 | 174.9 | -145.9 | 0 | 0 | 0 | 0 | 118.4 | A11 | S9-A11 PolarHBondContact O-N 3.39Š|
| 10 | L | 35.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 60% | 0.597 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -83.7 | 12.1 | -177.4 | -84.2 | 122.9 | 0 | 0 | 0 | 114.8 | Q12 | L10-Q12 PolarHBondContact O-N 3.31Š|
| 11 | A | 37.3 | Very low | 37.7 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -65.8 | -14 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S9 | S9-A11 PolarHBondContact O-N 3.39Š|
| 12 | Q | 39.6 | Very low | 38.5 | Very low | 189 Ų | 189 | 121.3 Ų | 121.3 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -94.5 | -10.2 | -167.6 | -159.1 | 170 | 2.5 | 0 | 0 | 116 | L10 | L10-Q12 PolarHBondContact O-N 3.31Š|
| 13 | S | 39.4 | Very low | 38.8 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -151.3 | 86.1 | -166.2 | 172.9 | 0 | 0 | 0 | 0 | 112.7 | F15 | S13-F15 WeakPolarHBondContact O-CB 3.23Å; S13-F15 PolarHBondContact O-N 3.4Å |
| 14 | G | 36.6 | Very low | 39.1 | Very low | 56 Ų | 56 | 123.5 Ų | 123.5 | 58% | 0.577 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 51.5 | -6.5 | 151 | 0 | 0 | 0 | 0 | 0 | 121.4 | R18 | G14-R18 PolarHBondContact O-N 3.07Š|
| 15 | F | 39 | Very low | 39.1 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 54% | 0.535 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -87.7 | -35.9 | -165.1 | -136.8 | -87.5 | 0 | 0 | 0 | 110.8 | S13 L17 R18 L19 | S13-F15 WeakPolarHBondContact O-CB 3.23Å; S13-F15 PolarHBondContact O-N 3.4Å; F15-L17 VanDerWaalsContact C-N 3.35Å; F15-R18 PolarHBondContact O-N 3.39Å; F15-R18 VanDerWaalsContact O-N 3.16Å; F15-L19 HydrophobicContact CD1-CD1 4.18Å; F15-L19 HydrophobicContact CE1-CD1 4.1Å; F15-L19 PolarHBondContact O-N 2.99Å |
| 16 | V | 41.4 | Very low | 39 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.3 | -44 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | R18 L19 Q20 | V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 PolarHBondContact O-N 2.68Å; V16-L19 PolarHBondContact O-N 3.35Å; V16-Q20 WeakPolarHBondContact O-CB 3.05Å; V16-Q20 PolarHBondContact O-N 2.94Å |
| 17 | L | 42.5 | Very low | 38.9 | Very low | 122 Ų | 122 | 124 Ų | 124 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64 | -35.1 | 175.3 | -76.2 | 166.9 | 0 | 0 | 0 | 112.1 | F15 R21 | F15-L17 VanDerWaalsContact C-N 3.35Å; L17-R21 WeakPolarHBondContact O-CB 3.41Å; L17-R21 PolarHBondContact O-N 2.68Å; L17-R21 VanDerWaalsContact O-N 3.17Å |
| 18 | R | 40.9 | Very low | 38.9 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.2 | -45.3 | 175.2 | -85.1 | -173 | 171 | -170.6 | -1.3 | 112.2 | G14 F15 V16 R21 F22 | G14-R18 PolarHBondContact O-N 3.07Å; F15-R18 PolarHBondContact O-N 3.39Å; F15-R18 VanDerWaalsContact O-N 3.16Å; V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 PolarHBondContact O-N 2.68Å; R18-R21 PolarHBondContact O-N 3.42Å; R18-F22 WeakPolarHBondContact O-CB 3.46Å; R18-F22 PolarHBondContact O-N 2.85Å |
| 19 | L | 41.7 | Very low | 39.1 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | -180 | -122.7 | 83.5 | 0 | 0 | 0 | 111.8 | F15 V16 R21 F22 W23 | F15-L19 HydrophobicContact CD1-CD1 4.18Å; F15-L19 HydrophobicContact CE1-CD1 4.1Å; F15-L19 PolarHBondContact O-N 2.99Å; V16-L19 PolarHBondContact O-N 3.35Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 2.67Å; L19-F22 PolarHBondContact O-N 2.64Å; L19-W23 PolarHBondContact O-N 2.67Å |
| 20 | Q | 40.3 | Very low | 38.8 | Very low | 130 Ų | 130 | 135 Ų | 135 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -63.9 | -37.5 | 179.3 | -170.9 | 174.2 | -8.5 | 0 | 0 | 111.8 | V16 F22 S24 | V16-Q20 WeakPolarHBondContact O-CB 3.05Å; V16-Q20 PolarHBondContact O-N 2.94Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-S24 PolarHBondContact O-OG 2.68Å |
| 21 | R | 43.2 | Very low | 38.8 | Very low | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.3 | -34.7 | 170.2 | -82.3 | -174.8 | 177.1 | 178 | 1.2 | 112.7 | L17 R18 L19 S24 | L17-R21 WeakPolarHBondContact O-CB 3.41Å; L17-R21 PolarHBondContact O-N 2.68Å; L17-R21 VanDerWaalsContact O-N 3.17Å; R18-R21 PolarHBondContact O-N 3.42Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 2.67Å; R21-S24 PolarHBondContact O-N 2.77Å |
| 22 | F | 44.2 | Very low | 39 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.1 | -34.4 | -176.1 | -128.5 | -89.9 | 0 | 0 | 0 | 113.6 | R18 L19 Q20 S24 | R18-F22 WeakPolarHBondContact O-CB 3.46Å; R18-F22 PolarHBondContact O-N 2.85Å; L19-F22 PolarHBondContact O-N 2.64Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; F22-S24 VanDerWaalsContact C-N 3.31Å |
| 23 | W | 38.1 | Very low | 39 | Very low | 220 Ų | 220 | 134.1 Ų | 134.1 | 83% | 0.833 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -83 | -9.3 | 178.7 | -74.7 | 64.4 | 0 | 0 | 0 | 113.5 | L19 | L19-W23 PolarHBondContact O-N 2.67Å |
| 24 | S | 41.7 | Very low | 39 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 6.1 | 179.7 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | Q20 R21 F22 | Q20-S24 PolarHBondContact O-OG 2.68Å; R21-S24 PolarHBondContact O-N 2.77Å; F22-S24 VanDerWaalsContact C-N 3.31Å |
| 25 | G | 38 | Very low | 39.3 | Very low | 46 Ų | 46 | 135.5 Ų | 135.5 | 47% | 0.474 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -80.8 | 127.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L27 | G25-L27 PolarHBondContact O-N 2.75Š|
| 26 | P | 36.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 125.5 | -176 | 19 | -26.2 | 0 | 0 | 0 | 110.9 | R28 | P26-R28 PolarHBondContact O-N 2.77Š| ||
| 27 | L | 37.1 | Very low | 39.3 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | trans | -70 | 62 | 176 | -145.2 | 93.4 | 0 | 0 | 0 | 110.5 | G25 | G25-L27 PolarHBondContact O-N 2.75Š| ||
| 28 | R | 33.2 | Very low | 39.5 | Very low | 219 Ų | 219 | 140.9 Ų | 140.9 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -148.4 | 107.7 | 171.7 | -76.1 | -169.7 | 166.2 | 179.1 | -4.5 | 104.3 | P26 | P26-R28 PolarHBondContact O-N 2.77Š| ||
| 29 | T | 37.2 | Very low | 39.9 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | -159 | 149 | 73.3 | 42.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 30 | Q | 31.7 | Very low | 40.1 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | -3.7 | 120 | 158.9 | -105.8 | -171.2 | -13.3 | 0 | 0 | 115.9 | S32 | Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 3.26Å | ||
| 31 | P | 36.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -68.5 | 99.1 | 161.9 | 28.9 | -28.4 | 0 | 0 | 0 | 107.2 | D33 | P31-D33 PolarHBondContact O-N 3.36Š| ||
| 32 | S | 40.6 | Very low | 40.6 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | -55 | 132.4 | 159 | -61.4 | 0 | 0 | 0 | 0 | 107.3 | Q30 S34 | Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 3.26Å; S32-S34 PolarHBondContact O-N 2.84Å | ||
| 33 | D | 39.5 | Very low | 40.9 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -57.9 | 34.2 | 179.7 | -84.7 | -44.5 | 0 | 0 | 0 | 115.3 | P31 G35 | P31-D33 PolarHBondContact O-N 3.36Å; D33-G35 PolarHBondContact O-N 3.18Å |
| 34 | S | 40.1 | Very low | 41.7 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | trans | -71.5 | 120.3 | 165.1 | 66.5 | 0 | 0 | 0 | 0 | 107.5 | S32 Y36 | S32-S34 PolarHBondContact O-N 2.84Å; S34-Y36 PolarHBondContact O-N 2.77Å | ||
| 35 | G | 42 | Very low | 42.3 | Very low | 86 Ų | 86 | 127 Ų | 127 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | trans | -59.8 | 27.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D33 K37 | D33-G35 PolarHBondContact O-N 3.18Å; G35-K37 PolarHBondContact O-N 2.79Å; G35-K37 VanDerWaalsContact O-N 3.17Å | ||
| 36 | Y | 38.9 | Very low | 43 | Very low | 191 Ų | 191 | 131 Ų | 131 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -73.9 | 97.8 | 166.3 | -130 | -95.3 | 0 | 0 | 0 | 107.6 | S34 P38 | S34-Y36 PolarHBondContact O-N 2.77Å; Y36-P38 WeakPolarHBondContact O-CD 3.46Å | ||
| 37 | K | 41.5 | Very low | 43.8 | Very low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -59.3 | 106.8 | 160.3 | -78.3 | 178.3 | 174 | 176.9 | 0 | 105.7 | G35 L39 | G35-K37 PolarHBondContact O-N 2.79Å; G35-K37 VanDerWaalsContact O-N 3.17Å; K37-L39 PolarHBondContact O-N 3.08Å; K37-L39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | P | 46.3 | Very low | 44.8 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 40% | 0.396 | 66% | 0.66 | S | S | . | * | trans | -63.1 | 129.5 | -179.3 | 27.6 | -31.4 | 0 | 0 | 0 | 106 | Y36 W40 C41 | Y36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-W40 HydrophobicContact CB-CB 4.06Å; P38-W40 HydrophobicContact CB-CD2 4.45Å; P38-W40 HydrophobicContact CB-CG 4.22Å; P38-W40 PolarHBondContact O-N 3.23Å; P38-C41 HydrophobicContact CG-CB 4.36Å; P38-C41 PolarHBondContact O-N 2.97Å | ||
| 39 | L | 49.7 | Very low | 45.8 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -50.9 | -14.7 | 168.5 | -75.6 | 161.7 | 0 | 0 | 0 | 111.8 | K37 S42 M43 | K37-L39 PolarHBondContact O-N 3.08Å; K37-L39 VanDerWaalsContact O-N 3.14Å; L39-S42 PolarHBondContact O-OG 2.68Å; L39-M43 PolarHBondContact O-N 2.75Å; L39-M43 VanDerWaalsContact O-N 3.12Å |
| 40 | W | 46.6 | Very low | 46.7 | Very low | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -36.1 | 171.5 | -55.5 | -9.5 | 0 | 0 | 0 | 113.4 | P38 M43 L44 | P38-W40 HydrophobicContact CB-CB 4.06Å; P38-W40 HydrophobicContact CB-CD2 4.45Å; P38-W40 HydrophobicContact CB-CG 4.22Å; P38-W40 PolarHBondContact O-N 3.23Å; W40-M43 PolarHBondContact O-N 2.79Å; W40-L44 VanDerWaalsContact O-CB 3.28Å; W40-L44 WeakPolarHBondContact O-CB 3.15Å; W40-L44 PolarHBondContact O-N 3.17Å |
| 41 | C | 47.8 | Very low | 47.8 | Very low | 72 Ų | 72 | 111 Ų | 111 | 49% | 0.486 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 179.3 | -134 | 0 | 0 | 0 | 0 | 110.4 | P38 L44 I45 | P38-C41 HydrophobicContact CG-CB 4.36Å; P38-C41 PolarHBondContact O-N 2.97Å; C41-L44 PolarHBondContact O-N 2.84Å; C41-I45 WeakPolarHBondContact O-CB 3.27Å; C41-I45 WeakPolarHBondContact O-CD1 3.27Å; C41-I45 WeakPolarHBondContact O-CG1 3.28Å; C41-I45 PolarHBondContact O-N 3.14Å |
| 42 | S | 46.8 | Very low | 48.4 | Very low | 64 Ų | 64 | 113 Ų | 113 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67 | -42.3 | 176.3 | 56.1 | 0 | 0 | 0 | 0 | 112 | L39 I45 Q46 | L39-S42 PolarHBondContact O-OG 2.68Å; S42-I45 PolarHBondContact O-N 2.83Å; S42-Q46 VanDerWaalsContact O-CB 3.27Å; S42-Q46 WeakPolarHBondContact O-CB 3.48Å; S42-Q46 PolarHBondContact O-N 2.76Å |
| 43 | M | 50.7 | Low | 48.8 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -40.4 | 176.3 | -76.3 | -159 | 162.5 | 0 | 0 | 112.8 | L39 W40 Q46 A47 | L39-M43 PolarHBondContact O-N 2.75Å; L39-M43 VanDerWaalsContact O-N 3.12Å; W40-M43 PolarHBondContact O-N 2.79Å; M43-Q46 PolarHBondContact O-N 2.79Å; M43-A47 WeakPolarHBondContact O-CB 3.38Å; M43-A47 PolarHBondContact O-N 3Å |
| 44 | L | 54 | Low | 49.2 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.1 | -47 | 177 | -167.6 | 89.2 | 0 | 0 | 0 | 110.8 | W40 C41 Q46 A47 I48 | W40-L44 VanDerWaalsContact O-CB 3.28Å; W40-L44 WeakPolarHBondContact O-CB 3.15Å; W40-L44 PolarHBondContact O-N 3.17Å; C41-L44 PolarHBondContact O-N 2.84Å; L44-Q46 VanDerWaalsContact C-N 3.31Å; L44-Q46 PolarHBondContact O-N 2.78Å; L44-A47 PolarHBondContact O-N 3.49Å; L44-I48 HydrophobicContact CD2-CD1 4.07Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.84Å |
| 45 | I | 54.4 | Low | 49.2 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.4 | -42.5 | 177.3 | -68.6 | 165.4 | 0 | 0 | 0 | 110.3 | C41 S42 I48 N49 | C41-I45 WeakPolarHBondContact O-CB 3.27Å; C41-I45 WeakPolarHBondContact O-CD1 3.27Å; C41-I45 WeakPolarHBondContact O-CG1 3.28Å; C41-I45 PolarHBondContact O-N 3.14Å; S42-I45 PolarHBondContact O-N 2.83Å; I45-I48 PolarHBondContact O-N 3.47Å; I45-N49 WeakPolarHBondContact CG2-ND2 3.14Å; I45-N49 VanDerWaalsContact O-CB 3.29Å; I45-N49 WeakPolarHBondContact O-CB 3.34Å; I45-N49 VanDerWaalsContact O-CG 3.23Å; I45-N49 PolarHBondContact O-N 2.86Å; I45-N49 PolarHBondContact O-ND2 2.74Å |
| 46 | Q | 52.3 | Low | 49.4 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -45.5 | 177.5 | -166.5 | 172 | 19.4 | 0 | 0 | 111.3 | S42 M43 L44 N49 T50 | S42-Q46 VanDerWaalsContact O-CB 3.27Å; S42-Q46 WeakPolarHBondContact O-CB 3.48Å; S42-Q46 PolarHBondContact O-N 2.76Å; M43-Q46 PolarHBondContact O-N 2.79Å; L44-Q46 VanDerWaalsContact C-N 3.31Å; L44-Q46 PolarHBondContact O-N 2.78Å; Q46-N49 PolarHBondContact O-N 3.12Å; Q46-T50 WeakPolarHBondContact O-CB 3.44Å; Q46-T50 PolarHBondContact O-N 2.78Å; Q46-T50 PolarHBondContact O-OG1 3.05Å |
| 47 | A | 54.4 | Low | 49.5 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M43 L44 N49 T50 V51 | M43-A47 WeakPolarHBondContact O-CB 3.38Å; M43-A47 PolarHBondContact O-N 3Å; L44-A47 PolarHBondContact O-N 3.49Å; A47-N49 VanDerWaalsContact C-N 3.35Å; A47-N49 PolarHBondContact O-N 2.89Å; A47-T50 PolarHBondContact O-N 3.02Å; A47-V51 WeakPolarHBondContact O-CG2 3.44Å; A47-V51 PolarHBondContact O-N 3.41Å |
| 48 | I | 56.5 | Low | 49.5 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -43.9 | 176.6 | -68.2 | 167 | 0 | 0 | 0 | 110.6 | L44 I45 T50 V51 R52 | L44-I48 HydrophobicContact CD2-CD1 4.07Å; L44-I48 HydrophobicContact CG-CD1 3.96Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.84Å; I45-I48 PolarHBondContact O-N 3.47Å; I48-T50 VanDerWaalsContact C-N 3.3Å; I48-T50 PolarHBondContact O-N 3.28Å; I48-V51 PolarHBondContact O-N 2.89Å; I48-R52 WeakPolarHBondContact O-CB 3.38Å; I48-R52 PolarHBondContact O-N 3.45Å |
| 49 | N | 54.7 | Low | 49.3 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 46% | 0.46 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -33.8 | 177.6 | -75.3 | -24 | 0 | 0 | 0 | 112.2 | I45 Q46 A47 S53 | I45-N49 WeakPolarHBondContact CG2-ND2 3.14Å; I45-N49 VanDerWaalsContact O-CB 3.29Å; I45-N49 WeakPolarHBondContact O-CB 3.34Å; I45-N49 VanDerWaalsContact O-CG 3.23Å; I45-N49 PolarHBondContact O-N 2.86Å; I45-N49 PolarHBondContact O-ND2 2.74Å; Q46-N49 PolarHBondContact O-N 3.12Å; A47-N49 VanDerWaalsContact C-N 3.35Å; A47-N49 PolarHBondContact O-N 2.89Å; N49-S53 WeakPolarHBondContact O-CB 3.34Å; N49-S53 PolarHBondContact O-N 2.87Å |
| 50 | T | 56.4 | Low | 48.6 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.5 | -41.7 | 176.5 | -42.7 | 0 | 0 | 0 | 0 | 110.4 | Q46 A47 I48 S53 F54 | Q46-T50 WeakPolarHBondContact O-CB 3.44Å; Q46-T50 PolarHBondContact O-N 2.78Å; Q46-T50 PolarHBondContact O-OG1 3.05Å; A47-T50 PolarHBondContact O-N 3.02Å; I48-T50 VanDerWaalsContact C-N 3.3Å; I48-T50 PolarHBondContact O-N 3.28Å; T50-S53 PolarHBondContact O-N 3.3Å; T50-F54 WeakPolarHBondContact O-CB 3.46Å; T50-F54 PolarHBondContact O-N 3.44Å |
| 51 | V | 54.6 | Low | 48.2 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -43.9 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | A47 I48 F54 W55 | A47-V51 WeakPolarHBondContact O-CG2 3.44Å; A47-V51 PolarHBondContact O-N 3.41Å; I48-V51 PolarHBondContact O-N 2.89Å; V51-F54 WeakPolarHBondContact O-CB 3.29Å; V51-F54 PolarHBondContact O-N 3.44Å; V51-W55 VanDerWaalsContact O-CD1 3.24Å; V51-W55 PolarHBondContact O-N 2.98Å |
| 52 | R | 47.9 | Very low | 48.1 | Very low | 166 Ų | 166 | 118.3 Ų | 118.3 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.4 | -44.4 | 175 | -105.2 | -179.2 | 146 | -176.2 | -5.9 | 112 | I48 F54 W55 Y56 | I48-R52 WeakPolarHBondContact O-CB 3.38Å; I48-R52 PolarHBondContact O-N 3.45Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-W55 PolarHBondContact O-N 3.33Å; R52-Y56 PolarHBondContact O-N 3.48Å |
| 53 | S | 49.4 | Very low | 47.6 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 48% | 0.483 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | N49 T50 W55 Y56 R57 | N49-S53 WeakPolarHBondContact O-CB 3.34Å; N49-S53 PolarHBondContact O-N 2.87Å; T50-S53 PolarHBondContact O-N 3.3Å; S53-W55 PolarHBondContact O-N 2.9Å; S53-Y56 PolarHBondContact O-N 3.31Å; S53-R57 WeakPolarHBondContact O-CA 3.36Å; S53-R57 WeakPolarHBondContact O-CB 3.2Å; S53-R57 PolarHBondContact O-N 3.15Å |
| 54 | F | 47.8 | Very low | 46.8 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.7 | -44.6 | 174.7 | -168.9 | -94.8 | 0 | 0 | 0 | 111.7 | T50 V51 R52 R57 S58 | T50-F54 WeakPolarHBondContact O-CB 3.46Å; T50-F54 PolarHBondContact O-N 3.44Å; V51-F54 WeakPolarHBondContact O-CB 3.29Å; V51-F54 PolarHBondContact O-N 3.44Å; R52-F54 VanDerWaalsContact C-N 3.31Å; F54-R57 PolarHBondContact O-N 3.17Å; F54-S58 VanDerWaalsContact O-CB 3.24Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 2.95Å |
| 55 | W | 41.6 | Very low | 45.9 | Very low | 176 Ų | 176 | 120.2 Ų | 120.2 | 67% | 0.667 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.6 | -51.7 | 175.4 | -88.1 | 64.6 | 0 | 0 | 0 | 111.9 | V51 R52 S53 R57 S58 T59 | V51-W55 VanDerWaalsContact O-CD1 3.24Å; V51-W55 PolarHBondContact O-N 2.98Å; R52-W55 PolarHBondContact O-N 3.33Å; S53-W55 PolarHBondContact O-N 2.9Å; W55-R57 PolarHBondContact O-N 2.85Å; W55-S58 PolarHBondContact O-N 3.39Å; W55-T59 PolarHBondContact O-N 3.16Å; W55-T59 PolarHBondContact O-OG1 3.46Å |
| 56 | Y | 45.9 | Very low | 45.2 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 73% | 0.725 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.1 | -35.7 | 179 | -102.2 | -86.9 | 0 | 0 | 0 | 113.2 | R52 S53 T59 | R52-Y56 PolarHBondContact O-N 3.48Å; S53-Y56 PolarHBondContact O-N 3.31Å; Y56-T59 PolarHBondContact O-N 2.75Å |
| 57 | R | 40.4 | Very low | 44.6 | Very low | 198 Ų | 198 | 122.9 Ų | 122.9 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.7 | -32.1 | -179.4 | -163.9 | 174 | -164.6 | 179 | 4 | 111.8 | S53 F54 W55 T59 S60 | S53-R57 WeakPolarHBondContact O-CA 3.36Å; S53-R57 WeakPolarHBondContact O-CB 3.2Å; S53-R57 PolarHBondContact O-N 3.15Å; F54-R57 PolarHBondContact O-N 3.17Å; W55-R57 PolarHBondContact O-N 2.85Å; R57-T59 VanDerWaalsContact C-N 3.27Å; R57-T59 PolarHBondContact O-N 3.49Å; R57-S60 PolarHBondContact O-N 3.32Å |
| 58 | S | 41.7 | Very low | 43.7 | Very low | 84 Ų | 84 | 131 Ų | 131 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.7 | -28.2 | 175.6 | -157 | 0 | 0 | 0 | 0 | 111.9 | F54 W55 S60 | F54-S58 VanDerWaalsContact O-CB 3.24Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 2.95Å; W55-S58 PolarHBondContact O-N 3.39Å; S58-S60 VanDerWaalsContact C-N 3.35Å |
| 59 | T | 41.6 | Very low | 43 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -15.9 | 176 | -10.3 | 0 | 0 | 0 | 0 | 114.1 | W55 Y56 R57 | W55-T59 PolarHBondContact O-N 3.16Å; W55-T59 PolarHBondContact O-OG1 3.46Å; Y56-T59 PolarHBondContact O-N 2.75Å; R57-T59 VanDerWaalsContact C-N 3.27Å; R57-T59 PolarHBondContact O-N 3.49Å |
| 60 | S | 35.4 | Very low | 42.3 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 1.4 | -173.5 | -171.1 | 0 | 0 | 0 | 0 | 114.8 | R57 S58 | R57-S60 PolarHBondContact O-N 3.32Å; S58-S60 VanDerWaalsContact C-N 3.35Å |
| 61 | K | 38.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -90.8 | 120.7 | 171.9 | -98 | 178.1 | 169.9 | 177 | 0 | 109.2 | ||
| 62 | T | 45.4 | Very low | 40.7 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 75 | 65.9 | 167.3 | 60 | 0 | 0 | 0 | 0 | 117 | G64 | T62-G64 PolarHBondContact O-N 2.85Š| ||
| 63 | F | 35.3 | Very low | 39.9 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 96% | 0.961 | 73% | 0.731 | S | S | * | * | trans | -70.9 | 67.5 | 148.6 | -166.7 | -96.7 | 0 | 0 | 0 | 108.9 | ||||
| 64 | G | 35 | Very low | 39.4 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -146.7 | 11.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T62 | T62-G64 PolarHBondContact O-N 2.85Š| ||
| 65 | G | 35 | Very low | 38.7 | Very low | 53 Ų | 53 | 146.5 Ų | 146.5 | 55% | 0.546 | 75% | 0.746 | S | S | . | * | trans | -145.2 | 123.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S67 | G65-S67 PolarHBondContact O-N 3.33Š| ||
| 66 | N | 40.7 | Very low | 38.3 | Very low | 177 Ų | 177 | 143 Ų | 143 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | -64.4 | 32.4 | 174.7 | -62.6 | -30.1 | 0 | 0 | 0 | 113.5 | R68 | N66-R68 PolarHBondContact O-N 3.44Å; N66-R68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | S | 39.5 | Very low | 37.6 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | -78.8 | 100.6 | 175.8 | -75.1 | 0 | 0 | 0 | 0 | 108.3 | G65 I69 | G65-S67 PolarHBondContact O-N 3.33Å; S67-I69 WeakPolarHBondContact O-CG1 3.24Å; S67-I69 PolarHBondContact O-N 2.79Å | ||
| 68 | R | 34.7 | Very low | 37.2 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -14.9 | 95.8 | 162.8 | -70.2 | 172.6 | 169.1 | 169 | -4.1 | 112.2 | N66 N70 | N66-R68 PolarHBondContact O-N 3.44Å; N66-R68 VanDerWaalsContact O-N 3.14Å; R68-N70 PolarHBondContact O-N 3.41Å | ||
| 69 | I | 42.1 | Very low | 37 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 30.9 | 174.3 | -61.3 | 165.3 | 0 | 0 | 0 | 110.3 | S67 | S67-I69 WeakPolarHBondContact O-CG1 3.24Å; S67-I69 PolarHBondContact O-N 2.79Å |
| 70 | N | 39.4 | Very low | 36.5 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 7 | -175.2 | -98.2 | -6 | 0 | 0 | 0 | 114.9 | R68 H72 | R68-N70 PolarHBondContact O-N 3.41Å; N70-H72 PolarHBondContact O-CD2 3.2Å; N70-H72 PolarHBondContact O-N 2.91Å |
| 71 | D | 39.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -84 | 74.8 | 157 | -73.4 | -26 | 0 | 0 | 0 | 108.1 | F73 | D71-F73 PolarHBondContact O-N 2.88Å; D71-F73 VanDerWaalsContact O-N 3.08Å |
| 72 | H | 37.2 | Very low | 36.5 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | -16.3 | 109.1 | 164.2 | -85.3 | -96.7 | 0 | 0 | 0 | 111.1 | N70 L74 | N70-H72 PolarHBondContact O-CD2 3.2Å; N70-H72 PolarHBondContact O-N 2.91Å; H72-L74 PolarHBondContact O-N 2.62Å | ||
| 73 | F | 32.8 | Very low | 36.1 | Very low | 164 Ų | 164 | 149 Ų | 149 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | S | Bend | 33.6 | 86.3 | 96.9 | -95.7 | -94.6 | 0 | 0 | 0 | 109.9 | D71 | D71-F73 PolarHBondContact O-N 2.88Å; D71-F73 VanDerWaalsContact O-N 3.08Å | |
| 74 | L | 38 | Very low | 36.1 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 61% | 0.613 | 74% | 0.74 | S | S | * | * | trans | 59.5 | 91.2 | 145.1 | -56.3 | 168.7 | 0 | 0 | 0 | 112.1 | H72 C76 | H72-L74 PolarHBondContact O-N 2.62Å; L74-C76 HydrophobicContact CB-CB 3.9Å; L74-C76 PolarHBondContact O-N 2.86Å | ||
| 75 | F | 32.4 | Very low | 36 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | S | Bend | -19.3 | 15.6 | 121.5 | -164.4 | -103.2 | 0 | 0 | 0 | 118.3 | Q77 L79 | F75-Q77 PolarHBondContact O-N 3.39Å; F75-L79 HydrophobicContact CE1-CD1 4.45Å | |
| 76 | C | 33.4 | Very low | 36.2 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -69.1 | -2 | 168.5 | -82.3 | 0 | 0 | 0 | 0 | 113.6 | L74 R78 | L74-C76 HydrophobicContact CB-CB 3.9Å; L74-C76 PolarHBondContact O-N 2.86Å; C76-R78 PolarHBondContact O-N 3.29Å | ||
| 77 | Q | 32.3 | Very low | 35.6 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -76 | -27.2 | -164.7 | -127.4 | -176.5 | 78.6 | 0 | 0 | 115.7 | F75 | F75-Q77 PolarHBondContact O-N 3.39Š|
| 78 | R | 32.1 | Very low | 35.7 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -150.7 | 22.7 | -169.9 | -70 | -170.4 | -178.5 | 163.6 | 0.5 | 118.1 | C76 R80 | C76-R78 PolarHBondContact O-N 3.29Å; R78-R80 PolarHBondContact O-N 2.8Å | ||
| 79 | L | 36.4 | Very low | 35.8 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -74.2 | 67.9 | 160.8 | -70.6 | 171.7 | 0 | 0 | 0 | 108.6 | F75 P81 | F75-L79 HydrophobicContact CE1-CD1 4.45Å; L79-P81 WeakPolarHBondContact O-CD 3.49Å | ||
| 80 | R | 32.1 | Very low | 35.7 | Very low | 226 Ų | 226 | 145.5 Ų | 145.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -51.5 | 111.4 | 160.8 | -150.3 | 176.8 | -164.2 | 169.1 | 3 | 103.6 | R78 T82 | R78-R80 PolarHBondContact O-N 2.8Å; R80-T82 VanDerWaalsContact C-N 3.29Å; R80-T82 PolarHBondContact O-N 2.59Å | ||
| 81 | P | 38.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | -66.7 | 101.8 | -176.5 | -11.6 | 25.7 | 0 | 0 | 0 | 105 | L79 I83 | L79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-I83 HydrophobicContact CB-CG1 4.07Å; P81-I83 PolarHBondContact O-N 3.26Å | ||
| 82 | T | 34.8 | Very low | 35.7 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -65.4 | 87.8 | 157.6 | -57.7 | 0 | 0 | 0 | 0 | 103.3 | R80 A84 | R80-T82 VanDerWaalsContact C-N 3.29Å; R80-T82 PolarHBondContact O-N 2.59Å; T82-A84 PolarHBondContact O-N 2.9Å | ||
| 83 | I | 36.3 | Very low | 36 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 90 | 171.8 | -61.3 | 171.5 | 0 | 0 | 0 | 103.4 | P81 R85 | P81-I83 HydrophobicContact CB-CG1 4.07Å; P81-I83 PolarHBondContact O-N 3.26Å; I83-R85 HydrophobicContact CG2-CG 4.48Å; I83-R85 PolarHBondContact O-N 2.64Å | ||
| 84 | A | 36.2 | Very low | 36.3 | Very low | 62 Ų | 62 | 141.5 Ų | 141.5 | 51% | 0.512 | 74% | 0.735 | S | S | . | * | trans | -57.6 | 101.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 104 | T82 F86 | T82-A84 PolarHBondContact O-N 2.9Å; A84-F86 HydrophobicContact CB-CD2 4.18Å; A84-F86 HydrophobicContact CB-CE2 3.89Å; A84-F86 WeakPolarHBondContact O-CD2 3.03Å; A84-F86 PolarHBondContact O-N 3.24Å | ||
| 85 | R | 33.2 | Very low | 36.6 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | -65.9 | 85.1 | 172 | -68.2 | 179.3 | 176.6 | 176.6 | -1.6 | 104.8 | I83 A87 | I83-R85 HydrophobicContact CG2-CG 4.48Å; I83-R85 PolarHBondContact O-N 2.64Å; R85-A87 VanDerWaalsContact C-N 3.34Å; R85-A87 PolarHBondContact O-N 2.86Å | ||
| 86 | F | 37.8 | Very low | 36.9 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -60 | 108.9 | 163.5 | -77.2 | -82 | 0 | 0 | 0 | 104.6 | A84 I88 | A84-F86 HydrophobicContact CB-CD2 4.18Å; A84-F86 HydrophobicContact CB-CE2 3.89Å; A84-F86 WeakPolarHBondContact O-CD2 3.03Å; A84-F86 PolarHBondContact O-N 3.24Å; F86-I88 PolarHBondContact O-N 3.44Å | ||
| 87 | A | 29.1 | Very low | 37 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -58.6 | 99.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | R85 S89 | R85-A87 VanDerWaalsContact C-N 3.34Å; R85-A87 PolarHBondContact O-N 2.86Å; A87-S89 PolarHBondContact O-N 2.9Å | ||
| 88 | I | 42.1 | Very low | 37.4 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -69 | 90.8 | 165.8 | -55.3 | 171.8 | 0 | 0 | 0 | 102.6 | F86 | F86-I88 PolarHBondContact O-N 3.44Š| ||
| 89 | S | 35 | Very low | 37.7 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | trans | -47.8 | 129.8 | 166 | -58.8 | 0 | 0 | 0 | 0 | 105.8 | A87 T91 | A87-S89 PolarHBondContact O-N 2.9Å; S89-T91 PolarHBondContact O-N 2.81Å | ||
| 90 | P | 39.9 | Very low | 37.6 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -71.1 | 65.1 | 173 | 31 | -33.9 | 0 | 0 | 0 | 107.3 | N92 | P90-N92 PolarHBondContact O-N 3.19Å; P90-N92 VanDerWaalsContact O-N 3.07Å | ||
| 91 | T | 36.4 | Very low | 37.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 63% | 0.632 | 73% | 0.727 | S | S | * | * | trans | -62.8 | 116.9 | 166.1 | -44.9 | 0 | 0 | 0 | 0 | 103.3 | S89 E93 | S89-T91 PolarHBondContact O-N 2.81Å; T91-E93 PolarHBondContact O-N 3Å | ||
| 92 | N | 44.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -56.5 | 67.6 | 173.4 | 178.9 | -0.7 | 0 | 0 | 0 | 109.4 | P90 T94 | P90-N92 PolarHBondContact O-N 3.19Å; P90-N92 VanDerWaalsContact O-N 3.07Å; N92-T94 PolarHBondContact O-N 3Å; N92-T94 PolarHBondContact OD1-OG1 3.2Å | ||
| 93 | E | 41.7 | Very low | 37.9 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -75.7 | 93 | 164.1 | -69.3 | -164.4 | 177.3 | 0 | 0 | 103.5 | T91 A95 | T91-E93 PolarHBondContact O-N 3Å; E93-A95 PolarHBondContact O-N 2.81Å | ||
| 94 | T | 40 | Very low | 38.1 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -49.2 | 90.8 | 164.5 | -48.3 | 0 | 0 | 0 | 0 | 106 | N92 T96 | N92-T94 PolarHBondContact O-N 3Å; N92-T94 PolarHBondContact OD1-OG1 3.2Å; T94-T96 PolarHBondContact O-N 3.08Å; T94-T96 PolarHBondContact O-OG1 3.29Å | ||
| 95 | A | 45 | Very low | 38.2 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | -65.9 | 97.7 | 179 | 0 | 0 | 0 | 0 | 0 | 104.5 | E93 Y97 | E93-A95 PolarHBondContact O-N 2.81Å; A95-Y97 PolarHBondContact O-N 3.2Å | ||
| 96 | T | 38.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -65.1 | 81 | 171.7 | -39.5 | 0 | 0 | 0 | 0 | 105.5 | T94 R98 | T94-T96 PolarHBondContact O-N 3.08Å; T94-T96 PolarHBondContact O-OG1 3.29Å; T96-R98 PolarHBondContact O-N 2.86Å | ||
| 97 | Y | 35.7 | Very low | 37.8 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 90.8 | 176.4 | -164.6 | -92.4 | 0 | 0 | 0 | 104.7 | A95 K99 | A95-Y97 PolarHBondContact O-N 3.2Å; Y97-K99 PolarHBondContact O-N 3.5Å | ||
| 98 | R | 39.5 | Very low | 38 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -60.7 | 95.2 | 167.2 | -75.3 | -169.8 | 179.8 | -173.1 | -0.5 | 104.5 | T96 C100 | T96-R98 PolarHBondContact O-N 2.86Å; R98-C100 PolarHBondContact O-N 3.45Å | ||
| 99 | K | 39.2 | Very low | 37.9 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -57 | 96.9 | 171.3 | -170 | 176.5 | -173.2 | 178.1 | 0 | 104.8 | Y97 K101 | Y97-K99 PolarHBondContact O-N 3.5Å; K99-K101 VanDerWaalsContact C-N 3.27Å; K99-K101 PolarHBondContact O-N 3.45Å | ||
| 100 | C | 33.8 | Very low | 38 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -58.6 | 99.7 | 173.3 | -70.9 | 0 | 0 | 0 | 0 | 105.3 | R98 H102 | R98-C100 PolarHBondContact O-N 3.45Å; C100-H102 PolarHBondContact O-N 2.83Å | ||
| 101 | K | 34.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | trans | -53.1 | 126.7 | 168.7 | -97.2 | 168.5 | 165.7 | -175 | 0 | 105.7 | K99 F103 C109 | K99-K101 VanDerWaalsContact C-N 3.27Å; K99-K101 PolarHBondContact O-N 3.45Å; K101-F103 PolarHBondContact O-N 3.45Å; K101-F103 VanDerWaalsContact O-N 3.08Å; K101-C109 HydrophobicContact CD-CB 4.46Å; K101-C109 WeakPolarHBondContact CD-SG 3.47Å | ||
| 102 | H | 39.6 | Very low | 38.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | -51 | 123.4 | 171.1 | -77.9 | -89.8 | 0 | 0 | 0 | 107 | C100 L104 | C100-H102 PolarHBondContact O-N 2.83Å; H102-L104 HydrophobicContact CB-CB 4.45Å; H102-L104 HydrophobicContact CB-CD1 4.45Å; H102-L104 HydrophobicContact CB-CG 4.39Å; H102-L104 PolarHBondContact O-N 2.78Å | ||
| 103 | F | 38.2 | Very low | 37.9 | Very low | 214 Ų | 214 | 136.7 Ų | 136.7 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 29.6 | 176.2 | -113.5 | -88.4 | 0 | 0 | 0 | 112.2 | K101 | K101-F103 PolarHBondContact O-N 3.45Å; K101-F103 VanDerWaalsContact O-N 3.08Å |
| 104 | L | 39.1 | Very low | 37.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 0.4 | -176.1 | -73.8 | 178 | 0 | 0 | 0 | 114 | H102 | H102-L104 HydrophobicContact CB-CB 4.45Å; H102-L104 HydrophobicContact CB-CD1 4.45Å; H102-L104 HydrophobicContact CB-CG 4.39Å; H102-L104 PolarHBondContact O-N 2.78Å |
| 105 | A | 37.9 | Very low | 37.8 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -155.9 | 139.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G107 | A105-G107 PolarHBondContact O-N 3.49Š|
| 106 | G | 31.5 | Very low | 37.9 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 100% | 1 | 76% | 0.756 | S | S | * | * | trans | -65 | 60.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 107 | G | 31.2 | Very low | 37.9 | Very low | 48 Ų | 48 | 143 Ų | 143 | 50% | 0.495 | 76% | 0.764 | S | S | . | * | trans | -96.4 | 101.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A105 C109 | A105-G107 PolarHBondContact O-N 3.49Å; G107-C109 PolarHBondContact O-N 3.44Å; G107-C109 PolarHBondContact O-SG 3.44Å; G107-C109 VanDerWaalsContact O-SG 3.36Å | ||
| 108 | S | 33.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -43.5 | 123.1 | 170.3 | -171.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 109 | C | 41.7 | Very low | 38.1 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 50% | 0.5 | 77% | 0.768 | S | S | . | * | trans | -93.5 | 103.5 | -175 | -63.2 | 0 | 0 | 0 | 0 | 109.6 | K101 G107 D111 | K101-C109 HydrophobicContact CD-CB 4.46Å; K101-C109 WeakPolarHBondContact CD-SG 3.47Å; G107-C109 PolarHBondContact O-N 3.44Å; G107-C109 PolarHBondContact O-SG 3.44Å; G107-C109 VanDerWaalsContact O-SG 3.36Å; C109-D111 PolarHBondContact O-N 3.37Å | ||
| 110 | S | 35.7 | Very low | 38.4 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 124.1 | 164.9 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | R112 | S110-R112 PolarHBondContact O-N 2.82Š| ||
| 111 | D | 43.1 | Very low | 38.7 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 85.5 | 172.7 | -77.2 | -52.7 | 0 | 0 | 0 | 110.8 | C109 | C109-D111 PolarHBondContact O-N 3.37Š| ||
| 112 | R | 37.1 | Very low | 38.9 | Very low | 222 Ų | 222 | 147.5 Ų | 147.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -109.3 | 120.7 | 164.8 | -85.3 | -172.2 | 172.3 | 179.2 | -1.2 | 110.6 | S110 V114 | S110-R112 PolarHBondContact O-N 2.82Å; R112-V114 PolarHBondContact O-N 2.9Å | ||
| 113 | P | 38.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -71 | 121.1 | 175.4 | 27.9 | -31.6 | 0 | 0 | 0 | 109.6 | ||||
| 114 | V | 42 | Very low | 38.9 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 108.8 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | R112 I116 | R112-V114 PolarHBondContact O-N 2.9Å; V114-I116 HydrophobicContact CG1-CG1 4.38Å; V114-I116 PolarHBondContact O-N 3.47Å | ||
| 115 | S | 37.2 | Very low | 38.8 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -76 | 108.2 | 173.4 | 68.2 | 0 | 0 | 0 | 0 | 109.7 | R117 | S115-R117 PolarHBondContact O-N 3.33Š| ||
| 116 | I | 47.2 | Very low | 38.9 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -87.4 | 101.9 | 172.3 | -54.4 | 174.2 | 0 | 0 | 0 | 106.9 | V114 T118 | V114-I116 HydrophobicContact CG1-CG1 4.38Å; V114-I116 PolarHBondContact O-N 3.47Å; I116-T118 PolarHBondContact O-N 3.14Å | ||
| 117 | R | 39.7 | Very low | 39.4 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 101.2 | 167.4 | -77.1 | -176 | 176 | -179 | -1.9 | 107.9 | S115 R119 | S115-R117 PolarHBondContact O-N 3.33Å; R117-R119 PolarHBondContact O-N 2.75Å | ||
| 118 | T | 42.8 | Very low | 40 | Very low | 131 Ų | 131 | 156.4 Ų | 156.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 116.1 | 167.8 | -31.5 | 0 | 0 | 0 | 0 | 107.6 | I116 L120 | I116-T118 PolarHBondContact O-N 3.14Å; T118-L120 PolarHBondContact O-N 2.97Å |
| 119 | R | 37 | Very low | 40.5 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.2 | 171.6 | -85.7 | -171.3 | 173.3 | -132.6 | 2.3 | 108.4 | R117 | R117-R119 PolarHBondContact O-N 2.75Š|
| 120 | L | 44.5 | Very low | 40.4 | Very low | 176 Ų | 176 | 166.6 Ų | 166.6 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 116.2 | 157.2 | -131 | 91.6 | 0 | 0 | 0 | 105.5 | T118 | T118-L120 PolarHBondContact O-N 2.97Š|
| 121 | E | 39.8 | Very low | 40.8 | Very low | 245 Ų | 245 | 171.9 Ų | 171.9 | 100% | 1.145 | 85% | 0.848 | S | S | * | * | trans | -88.6 | 0 | 156.6 | -78.3 | -176 | 134.6 | 0 | 0 | 109 |
Retrieved 121 of 121 residues in 199.4 ms
(Link to these results)