| 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 | 30.1 | Very low | 33.5 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 100% | 1.187 | 76% | 0.764 | S | S | * | * | 0 | 88.9 | 0 | -155.5 | 173.8 | -171.2 | 0 | 0 | 106.4 | |||||
| 2 | V | 29 | Very low | 33.6 | Very low | 145 Ų | 145 | 154.3 Ų | 154.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -117.6 | 127.4 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | M | 31.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 131.1 | -156.1 | -64.8 | -86.8 | -84.5 | 0 | 0 | 112.5 | T5 | M3-T5 PolarHBondContact O-N 3.35Å; M3-T5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | L | 34.9 | Very low | 34.3 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -81.9 | 35.5 | -177.9 | -144.7 | 98.6 | 0 | 0 | 0 | 112.6 | ||
| 5 | T | 34.5 | Very low | 34.7 | Very low | 84 Ų | 84 | 151.4 Ų | 151.4 | 52% | 0.515 | 75% | 0.75 | S | S | . | * | trans | -111.4 | -8.8 | -160.5 | 46 | 0 | 0 | 0 | 0 | 117 | M3 | M3-T5 PolarHBondContact O-N 3.35Å; M3-T5 VanDerWaalsContact O-N 3.09Å | ||
| 6 | D | 34.2 | Very low | 34.7 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -96.5 | 4 | -172.7 | -69.8 | -35.7 | 0 | 0 | 0 | 116.1 | L8 | D6-L8 PolarHBondContact O-N 3.25Š|
| 7 | L | 34.8 | Very low | 34.7 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -88.6 | 8.4 | -177.1 | -69.7 | 173.1 | 0 | 0 | 0 | 115.2 | ||
| 8 | L | 34.5 | Very low | 34.9 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -93.9 | 2.5 | -173.2 | -90 | 157.2 | 0 | 0 | 0 | 115.8 | D6 | D6-L8 PolarHBondContact O-N 3.25Š|
| 9 | M | 28.7 | Very low | 34.9 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -125.4 | 72.8 | -174.1 | -76 | -79.2 | 168.1 | 0 | 0 | 115.3 | ||||
| 10 | P | 38.6 | Very low | 34.8 | Very low | 54 Ų | 54 | 158.2 Ų | 158.2 | 35% | 0.351 | 75% | 0.745 | S | S | . | * | trans | -130.4 | 5.2 | 149.9 | 21.5 | -1.8 | 0 | 0 | 0 | 114.8 | R12 L13 | P10-R12 PolarHBondContact O-N 2.98Å; P10-R12 VanDerWaalsContact O-N 3.16Å; P10-L13 PolarHBondContact O-N 3.05Å | ||
| 11 | W | 37.4 | Very low | 34.9 | Very low | 202 Ų | 202 | 156.4 Ų | 156.4 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -13.6 | -175.2 | -67.7 | 86.8 | 0 | 0 | 0 | 114.7 | ||
| 12 | R | 34.6 | Very low | 34.8 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -17.8 | 179.2 | -66.7 | -171.4 | 178.7 | -168.1 | 0.9 | 114.2 | P10 | P10-R12 PolarHBondContact O-N 2.98Å; P10-R12 VanDerWaalsContact O-N 3.16Å |
| 13 | L | 37.8 | Very low | 34.7 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 61% | 0.613 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -85.4 | -25.1 | -178.8 | -86.5 | 131.6 | 0 | 0 | 0 | 113.5 | P10 R15 | P10-L13 PolarHBondContact O-N 3.05Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.78Å |
| 14 | C | 40 | Very low | 34.9 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.2 | -17 | -178.8 | -68.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 15 | R | 39.6 | Very low | 34.6 | Very low | 206 Ų | 206 | 149.3 Ų | 149.3 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.2 | -41.6 | 176.1 | -101.8 | -176.9 | 176.1 | 172.5 | -1.2 | 112.1 | L13 F17 R18 | L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.78Å; R15-F17 PolarHBondContact O-N 3.05Å; R15-R18 PolarHBondContact O-N 3.15Å |
| 16 | R | 34.6 | Very low | 34.2 | Very low | 208 Ų | 208 | 154 Ų | 154 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -69.9 | -27.8 | -179.1 | -86.6 | -177.6 | 173.9 | 172 | -2.1 | 114.1 | ||
| 17 | F | 34.9 | Very low | 33.8 | Very low | 133 Ų | 133 | 151 Ų | 151 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -78.5 | -22.9 | 175.4 | -85.7 | -80.8 | 0 | 0 | 0 | 113.5 | R15 L21 | R15-F17 PolarHBondContact O-N 3.05Å; F17-L21 WeakPolarHBondContact O-CD1 3.32Å |
| 18 | R | 38.3 | Very low | 33.3 | Very low | 197 Ų | 197 | 151 Ų | 151 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -73.7 | -30.9 | 179.6 | -161.4 | 172.5 | -179 | 171.9 | -2.5 | 112.4 | R15 | R15-R18 PolarHBondContact O-N 3.15Å |
| 19 | D | 35 | Very low | 33 | Very low | 130 Ų | 130 | 151 Ų | 151 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -89.4 | -13.7 | -177.6 | -62.6 | -27.4 | 0 | 0 | 0 | 113.7 | ||
| 20 | R | 33.5 | Very low | 32.8 | Very low | 225 Ų | 225 | 154.9 Ų | 154.9 | 85% | 0.849 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -102.7 | -2 | 179.4 | -72.1 | -172.5 | 174.9 | -172.3 | -2.4 | 114.7 | ||
| 21 | L | 35.7 | Very low | 32.2 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 63% | 0.634 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -110.8 | 13.7 | -178.9 | -73.5 | 171.8 | 0 | 0 | 0 | 113.7 | F17 | F17-L21 WeakPolarHBondContact O-CD1 3.32Š|
| 22 | L | 28.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 153 Ų | 153 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | -117.9 | 108.9 | 172.8 | -70.6 | 166.2 | 0 | 0 | 0 | 108.9 | ||||
| 23 | P | 27.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -140.2 | 66.3 | 130.2 | 37.4 | -22.4 | 0 | 0 | 0 | 110.2 | ||||
| 24 | W | 36.2 | Very low | 30.6 | Very low | 214 Ų | 214 | 155.3 Ų | 155.3 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -127.2 | 106.8 | 158.7 | -15.5 | -53 | 0 | 0 | 0 | 106.8 | L26 | W24-L26 PolarHBondContact O-N 3.02Š|
| 25 | S | 27.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -52.1 | 123.6 | -178.1 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | S27 | S25-S27 PolarHBondContact O-N 3.45Š| ||
| 26 | L | 26.2 | Very low | 29.6 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | trans | -54.5 | 102.7 | 148.6 | -88.9 | 144.3 | 0 | 0 | 0 | 107.9 | W24 | W24-L26 PolarHBondContact O-N 3.02Š| ||
| 27 | S | 26.5 | Very low | 29.1 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 104 | 164.9 | -52 | 0 | 0 | 0 | 0 | 107.6 | S25 | S25-S27 PolarHBondContact O-N 3.45Š| ||
| 28 | D | 23.6 | Very low | 28.7 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 33.3 | 106.4 | 153.1 | -72.2 | -55.2 | 0 | 0 | 0 | 119.8 | ||||
| 29 | V | 28.4 | Very low | 28.4 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | -150.1 | 90.6 | 125 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | C31 | V29-C31 PolarHBondContact O-N 3.32Š| |||
| 30 | R | 24.2 | Very low | 28 | Very low | 234 Ų | 234 | 149.6 Ų | 149.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -65.5 | 121 | 149.9 | -77.5 | -177.1 | 172.2 | 179.8 | -0.6 | 106.6 | ||||
| 31 | C | 25.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -177.4 | 126.2 | 138 | -103.9 | 0 | 0 | 0 | 0 | 113.1 | V29 | V29-C31 PolarHBondContact O-N 3.32Š| ||
| 32 | S | 25.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 76 | 78.3 | 140.3 | -61.4 | 0 | 0 | 0 | 0 | 119.2 | R34 | S32-R34 PolarHBondContact O-N 3.32Š| ||
| 33 | T | 25.3 | Very low | 27.5 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -49.8 | 117.1 | 132.7 | 43.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | R | 26 | Very low | 27.9 | Very low | 239 Ų | 239 | 146.8 Ų | 146.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -171.1 | 119.7 | 148.5 | -114.7 | 173.1 | 165.9 | -166.6 | -5.6 | 111.6 | S32 | S32-R34 PolarHBondContact O-N 3.32Š| ||
| 35 | S | 24.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | 61.1 | 121.2 | 141 | -166 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 36 | L | 33 | Very low | 28.1 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | 178.6 | 103 | 106.8 | -86.1 | 169.7 | 0 | 0 | 0 | 109.1 | |||||
| 37 | F | 24.2 | Very low | 28.7 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -65 | 159.7 | 154.4 | -105.8 | -103.6 | 0 | 0 | 0 | 109.3 | ||||
| 38 | A | 25.9 | Very low | 29.2 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 90.2 | 105.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 39 | Q | 32.7 | Very low | 29.7 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -162.9 | 87.8 | 126.2 | -102.9 | 162.3 | 83.6 | 0 | 0 | 110.4 | |||||
| 40 | S | 25.9 | Very low | 30.1 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 23.7 | 119.8 | 131.3 | 47 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 41 | A | 28.5 | Very low | 30.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | 39.9 | 109.4 | 123.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 42 | G | 30.2 | Very low | 31.1 | Very low | 57 Ų | 57 | 133 Ų | 133 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -174.1 | 106.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F44 | G42-F44 VanDerWaalsContact O-CD2 3.29Å; G42-F44 WeakPolarHBondContact O-CD2 3.49Å | ||
| 43 | N | 30.2 | Very low | 32.1 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | 1.4 | 109.3 | 161 | -56.3 | -16.2 | 0 | 0 | 0 | 117.7 | ||||
| 44 | F | 34.1 | Very low | 32.7 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | -130 | 122.8 | 161.2 | -85 | -84.1 | 0 | 0 | 0 | 111.2 | G42 | G42-F44 VanDerWaalsContact O-CD2 3.29Å; G42-F44 WeakPolarHBondContact O-CD2 3.49Å | ||
| 45 | S | 31 | Very low | 33.7 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -68.4 | 146.9 | 177.3 | -170 | 0 | 0 | 0 | 0 | 111.2 | D47 | S45-D47 PolarHBondContact O-N 3.48Š| ||
| 46 | P | 37.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 4.3 | -166.6 | 27 | -34.5 | 0 | 0 | 0 | 117.3 | ||
| 47 | D | 38.8 | Very low | 35.3 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 17.5 | -169 | -78 | -21.3 | 0 | 0 | 0 | 116.3 | S45 | S45-D47 PolarHBondContact O-N 3.48Š|
| 48 | Q | 37.5 | Very low | 36.3 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 56% | 0.556 | 70% | 0.696 | S | S | * | * | trans | -122.4 | 108.6 | 173.8 | -82.4 | -176.4 | 15.5 | 0 | 0 | 112.8 | T50 | Q48-T50 PolarHBondContact O-N 3.36Š| ||
| 49 | L | 33.6 | Very low | 37.2 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -83.7 | 100.1 | 165.9 | -79.1 | 164.2 | 0 | 0 | 0 | 109.2 | V56 | L49-V56 PolarHBondContact O-N 3.05Š| ||
| 50 | T | 37.6 | Very low | 37.9 | Very low | 73 Ų | 73 | 117 Ų | 117 | 45% | 0.448 | 68% | 0.683 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.6 | 174.3 | -45.7 | 0 | 0 | 0 | 0 | 109.4 | Q48 R54 | Q48-T50 PolarHBondContact O-N 3.36Å; T50-R54 CarbonylContact C-O 3.59Å; T50-R54 WeakPolarHBondContact CA-O 3.43Å; T50-R54 WeakPolarHBondContact CG2-O 3.5Å |
| 51 | Y | 35.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 44% | 0.439 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.7 | 172.7 | -171.4 | -96.8 | 0 | 0 | 0 | 109.5 | G53 R54 | Y51-G53 VanDerWaalsContact C-N 3.26Å; Y51-G53 PolarHBondContact O-N 3.49Å; Y51-R54 PolarHBondContact N-O 2.87Å; Y51-R54 PolarHBondContact O-N 3.24Å |
| 52 | D | 35.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 55% | 0.551 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.5 | 34.2 | 180 | -144.9 | 16 | 0 | 0 | 0 | 114.1 | R54 R102 | D52-R54 PolarHBondContact O-N 3.41Å; D52-R102 IonicContact OD2-CZ 3.99Å; D52-R102 VanDerWaalsContact OD2-CZ 3.24Å; D52-R102 IonicContact OD2-NE 3.04Å; D52-R102 PolarHBondContact OD2-NE 3.17Å; D52-R102 IonicContact OD2-NH2 2.87Å; D52-R102 PolarHBondContact OD2-NH2 3.1Å |
| 53 | G | 45.9 | Very low | 41.6 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.7 | 8.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y51 | Y51-G53 VanDerWaalsContact C-N 3.26Å; Y51-G53 PolarHBondContact O-N 3.49Å |
| 54 | R | 37.2 | Very low | 43.2 | Very low | 178 Ų | 178 | 118 Ų | 118 | 67% | 0.672 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.2 | 177.2 | -62.4 | -178 | 179.9 | 169.6 | -0.4 | 110.6 | T50 Y51 D52 V56 | T50-R54 CarbonylContact C-O 3.59Å; T50-R54 WeakPolarHBondContact CA-O 3.43Å; T50-R54 WeakPolarHBondContact CG2-O 3.5Å; Y51-R54 PolarHBondContact N-O 2.87Å; Y51-R54 PolarHBondContact O-N 3.24Å; D52-R54 PolarHBondContact O-N 3.41Å; R54-V56 PolarHBondContact O-N 2.92Å |
| 55 | I | 48.5 | Very low | 44.1 | Very low | 99 Ų | 99 | 114.8 Ų | 114.8 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.6 | 173.1 | -58.9 | 169.1 | 0 | 0 | 0 | 106.4 | T57 | I55-T57 PolarHBondContact O-N 3.49Å |
| 56 | V | 42.1 | Very low | 45.2 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 58% | 0.582 | 62% | 0.624 | S | S | * | * | trans | -86.1 | 101.6 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | L49 R54 | L49-V56 PolarHBondContact O-N 3.05Å; R54-V56 PolarHBondContact O-N 2.92Å | ||
| 57 | T | 47.9 | Very low | 46.6 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | trans | -77.2 | 133.6 | 165.9 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | I55 D59 | I55-T57 PolarHBondContact O-N 3.49Å; T57-D59 VanDerWaalsContact C-N 3.3Å; T57-D59 PolarHBondContact O-N 3.28Å | ||
| 58 | A | 46.3 | Very low | 47.9 | Very low | 102 Ų | 102 | 114 Ų | 114 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | trans | -71.8 | 87.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 59 | D | 45.1 | Very low | 48.9 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | trans | -102.6 | 145.6 | 167.8 | -79.6 | -41.9 | 0 | 0 | 0 | 109.5 | T57 N61 | T57-D59 VanDerWaalsContact C-N 3.3Å; T57-D59 PolarHBondContact O-N 3.28Å; D59-N61 PolarHBondContact O-N 3.44Å | ||
| 60 | D | 47.8 | Very low | 49.7 | Very low | 142 Ų | 142 | 111.8 Ų | 111.8 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 19.1 | -163.8 | -58.1 | -61.6 | 0 | 0 | 0 | 118.3 | ||
| 61 | N | 53.6 | Low | 50.9 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -8.4 | -178.9 | -65.9 | -33.4 | 0 | 0 | 0 | 114.1 | D59 E63 E65 | D59-N61 PolarHBondContact O-N 3.44Å; N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 PolarHBondContact O-N 3.09Å; N61-E65 PolarHBondContact O-N 2.98Å |
| 62 | T | 55.4 | Low | 52.2 | Low | 85 Ų | 85 | 110.2 Ų | 110.2 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69 | -31.8 | -176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | E65 L66 | T62-E65 PolarHBondContact O-N 3.29Å; T62-L66 WeakPolarHBondContact O-CB 3.46Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.06Å |
| 63 | E | 53.1 | Low | 53.1 | Low | 144 Ų | 144 | 108.8 Ų | 108.8 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.6 | -39.8 | -178.9 | -50 | -163.1 | 151.2 | 0 | 0 | 111.9 | N61 E65 L66 N67 | N61-E63 VanDerWaalsContact C-N 3.34Å; N61-E63 PolarHBondContact O-N 3.09Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-L66 PolarHBondContact O-N 3.49Å; E63-N67 PolarHBondContact O-N 3.48Å |
| 64 | E | 63.2 | Low | 53.4 | Low | 115 Ų | 115 | 107.7 Ų | 107.7 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.7 | -32.8 | 178.2 | -145.8 | -176.2 | -146.6 | 0 | 0 | 111.6 | R68 | E64-R68 VanDerWaalsContact O-CG 3.32Å; E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 3.36Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE2-CZ 3.24Å; E64-R68 IonicContact OE2-NH2 2.71Å; E64-R68 PolarHBondContact OE2-NH2 2.95Å |
| 65 | E | 53.1 | Low | 53.9 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -37.9 | 173.5 | -144.9 | 172.4 | -177.2 | 0 | 0 | 111.4 | N61 T62 E63 R68 M69 | N61-E65 PolarHBondContact O-N 2.98Å; T62-E65 PolarHBondContact O-N 3.29Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E65-R68 PolarHBondContact O-N 2.93Å; E65-M69 WeakPolarHBondContact O-CE 3.41Å; E65-M69 WeakPolarHBondContact O-CG 3.4Å; E65-M69 PolarHBondContact O-N 3.21Å |
| 66 | L | 54.5 | Low | 53.8 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 171.3 | -77.2 | 165.4 | 0 | 0 | 0 | 112.3 | T62 E63 R68 M69 Q70 | T62-L66 WeakPolarHBondContact O-CB 3.46Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.06Å; E63-L66 PolarHBondContact O-N 3.49Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 3.11Å; L66-M69 HydrophobicContact CD2-CE 3.9Å; L66-M69 HydrophobicContact CG-CE 4.24Å; L66-M69 PolarHBondContact O-N 3.41Å; L66-M69 VanDerWaalsContact O-N 3.17Å; L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.42Å |
| 67 | N | 67.1 | Low | 54 | Low | 101 Ų | 101 | 102 Ų | 102 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -37.9 | 176.4 | -90.2 | -5.6 | 0 | 0 | 0 | 112.5 | E63 S71 | E63-N67 PolarHBondContact O-N 3.48Å; N67-S71 WeakPolarHBondContact O-CB 3.29Å; N67-S71 PolarHBondContact O-N 3.23Å; N67-S71 PolarHBondContact O-OG 3.09Å |
| 68 | R | 64.7 | Low | 53.9 | Low | 164 Ų | 164 | 103.2 Ų | 103.2 | 62% | 0.619 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -42.8 | 172.8 | -71.4 | 176.7 | -142.7 | -136.1 | 5.9 | 111.6 | E64 E65 L66 S71 S72 | E64-R68 VanDerWaalsContact O-CG 3.32Å; E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 3.36Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE2-CZ 3.24Å; E64-R68 IonicContact OE2-NH2 2.71Å; E64-R68 PolarHBondContact OE2-NH2 2.95Å; E65-R68 PolarHBondContact O-N 2.93Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 3.11Å; R68-S71 PolarHBondContact O-N 3.17Å; R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 2.97Å |
| 69 | M | 59 | Low | 53.9 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 50% | 0.502 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -44.3 | 177.2 | -74.9 | -172.4 | -76.7 | 0 | 0 | 112 | E65 L66 S71 S72 V73 | E65-M69 WeakPolarHBondContact O-CE 3.41Å; E65-M69 WeakPolarHBondContact O-CG 3.4Å; E65-M69 PolarHBondContact O-N 3.21Å; L66-M69 HydrophobicContact CD2-CE 3.9Å; L66-M69 HydrophobicContact CG-CE 4.24Å; L66-M69 PolarHBondContact O-N 3.41Å; L66-M69 VanDerWaalsContact O-N 3.17Å; M69-S71 PolarHBondContact O-N 3.42Å; M69-S72 PolarHBondContact O-N 3.39Å; M69-V73 VanDerWaalsContact O-CG2 3.32Å; M69-V73 WeakPolarHBondContact O-CG2 3.33Å; M69-V73 PolarHBondContact O-N 3.24Å |
| 70 | Q | 50.7 | Low | 54 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.9 | -43.2 | 177 | -74 | -176.7 | -0.2 | 0 | 0 | 112.1 | L66 S72 V73 A74 | L66-Q70 WeakPolarHBondContact O-CG 3.39Å; L66-Q70 PolarHBondContact O-N 3.42Å; Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 2.87Å; Q70-V73 PolarHBondContact O-N 2.83Å; Q70-A74 WeakPolarHBondContact O-CB 3.32Å; Q70-A74 PolarHBondContact O-N 3.43Å |
| 71 | S | 62.8 | Low | 54 | Low | 81 Ų | 81 | 107.5 Ų | 107.5 | 57% | 0.566 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -39.5 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | N67 R68 M69 A74 C75 | N67-S71 WeakPolarHBondContact O-CB 3.29Å; N67-S71 PolarHBondContact O-N 3.23Å; N67-S71 PolarHBondContact O-OG 3.09Å; R68-S71 PolarHBondContact O-N 3.17Å; M69-S71 PolarHBondContact O-N 3.42Å; S71-A74 PolarHBondContact O-N 3.34Å; S71-C75 WeakPolarHBondContact O-CB 3.32Å; S71-C75 PolarHBondContact O-N 3.42Å; S71-C75 VanDerWaalsContact O-N 3.09Å |
| 72 | S | 63 | Low | 53.1 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -40.9 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | R68 M69 Q70 C75 M76 | R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 2.97Å; M69-S72 PolarHBondContact O-N 3.39Å; Q70-S72 VanDerWaalsContact C-N 3.34Å; Q70-S72 PolarHBondContact O-N 2.87Å; S72-C75 PolarHBondContact O-N 3.48Å; S72-M76 PolarHBondContact O-N 2.71Å; S72-M76 VanDerWaalsContact O-N 3.11Å |
| 73 | V | 54.7 | Low | 52.3 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 44% | 0.442 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -43.4 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | M69 Q70 C75 M76 L77 | M69-V73 VanDerWaalsContact O-CG2 3.32Å; M69-V73 WeakPolarHBondContact O-CG2 3.33Å; M69-V73 PolarHBondContact O-N 3.24Å; Q70-V73 PolarHBondContact O-N 2.83Å; V73-C75 VanDerWaalsContact C-N 3.32Å; V73-C75 PolarHBondContact O-N 2.96Å; V73-M76 HydrophobicContact CG2-CE 4.27Å; V73-M76 PolarHBondContact O-N 3.49Å; V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 WeakPolarHBondContact O-CG 3.28Å; V73-L77 PolarHBondContact O-N 2.91Å |
| 74 | A | 51.7 | Low | 52 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.9 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q70 S71 M76 L77 N78 | Q70-A74 WeakPolarHBondContact O-CB 3.32Å; Q70-A74 PolarHBondContact O-N 3.43Å; S71-A74 PolarHBondContact O-N 3.34Å; A74-M76 PolarHBondContact O-N 3.15Å; A74-L77 PolarHBondContact O-N 3.47Å; A74-N78 PolarHBondContact O-N 3.33Å |
| 75 | C | 47.2 | Very low | 50.9 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 48% | 0.48 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -38.7 | 176.8 | -162.3 | 0 | 0 | 0 | 0 | 112.3 | S71 S72 V73 R79 | S71-C75 WeakPolarHBondContact O-CB 3.32Å; S71-C75 PolarHBondContact O-N 3.42Å; S71-C75 VanDerWaalsContact O-N 3.09Å; S72-C75 PolarHBondContact O-N 3.48Å; V73-C75 VanDerWaalsContact C-N 3.32Å; V73-C75 PolarHBondContact O-N 2.96Å; C75-R79 PolarHBondContact O-N 3.29Å |
| 76 | M | 46.5 | Very low | 50.2 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -39.6 | 174.2 | -71.9 | -169.3 | -65.7 | 0 | 0 | 112.8 | S72 V73 A74 R79 I80 | S72-M76 PolarHBondContact O-N 2.71Å; S72-M76 VanDerWaalsContact O-N 3.11Å; V73-M76 HydrophobicContact CG2-CE 4.27Å; V73-M76 PolarHBondContact O-N 3.49Å; A74-M76 PolarHBondContact O-N 3.15Å; M76-R79 PolarHBondContact O-N 3.28Å; M76-I80 WeakPolarHBondContact O-CD1 3.49Å; M76-I80 VanDerWaalsContact O-CG1 3.29Å; M76-I80 WeakPolarHBondContact O-CG1 3.44Å; M76-I80 PolarHBondContact O-N 3.43Å; M76-I80 VanDerWaalsContact O-N 3.17Å |
| 77 | L | 45.9 | Very low | 49.4 | Very low | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68 | -35 | 178.8 | -70.3 | 173 | 0 | 0 | 0 | 112.3 | V73 A74 R79 I80 S81 | V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.37Å; V73-L77 WeakPolarHBondContact O-CG 3.28Å; V73-L77 PolarHBondContact O-N 2.91Å; A74-L77 PolarHBondContact O-N 3.47Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.02Å; L77-I80 HydrophobicContact CD2-CD1 4.45Å; L77-I80 PolarHBondContact O-N 3.36Å; L77-I80 VanDerWaalsContact O-N 3.15Å; L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.33Å |
| 78 | N | 46.5 | Very low | 48.2 | Very low | 124 Ų | 124 | 108 Ų | 108 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.3 | -34.4 | 172.3 | -79.9 | -14.5 | 0 | 0 | 0 | 112.5 | A74 I80 S81 G82 | A74-N78 PolarHBondContact O-N 3.33Å; N78-I80 VanDerWaalsContact C-N 3.33Å; N78-S81 PolarHBondContact O-N 3.35Å; N78-G82 PolarHBondContact O-N 2.94Å |
| 79 | R | 46 | Very low | 46.6 | Very low | 208 Ų | 208 | 105.6 Ų | 105.6 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.6 | -26.4 | 172.6 | -70.6 | -177.8 | 177 | -176.4 | -1.1 | 113.7 | C75 M76 L77 | C75-R79 PolarHBondContact O-N 3.29Å; M76-R79 PolarHBondContact O-N 3.28Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.02Å |
| 80 | I | 48.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 106.4 Ų | 106.4 | 68% | 0.677 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -84.1 | -21.5 | 179.3 | -65 | 161.7 | 0 | 0 | 0 | 111.5 | M76 L77 N78 | M76-I80 WeakPolarHBondContact O-CD1 3.49Å; M76-I80 VanDerWaalsContact O-CG1 3.29Å; M76-I80 WeakPolarHBondContact O-CG1 3.44Å; M76-I80 PolarHBondContact O-N 3.43Å; M76-I80 VanDerWaalsContact O-N 3.17Å; L77-I80 HydrophobicContact CD2-CD1 4.45Å; L77-I80 PolarHBondContact O-N 3.36Å; L77-I80 VanDerWaalsContact O-N 3.15Å; N78-I80 VanDerWaalsContact C-N 3.33Å |
| 81 | S | 46.7 | Very low | 44.3 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -97 | -4.7 | -178.3 | -47.3 | 0 | 0 | 0 | 0 | 113.4 | L77 N78 | L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.33Å; N78-S81 PolarHBondContact O-N 3.35Å |
| 82 | G | 35.7 | Very low | 42.7 | Very low | 50 Ų | 50 | 110.7 Ų | 110.7 | 52% | 0.515 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -80.9 | 127 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N78 | N78-G82 PolarHBondContact O-N 2.94Š|
| 83 | S | 37.4 | Very low | 41.4 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | trans | -50.6 | 136.9 | 171.4 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | D85 | S83-D85 PolarHBondContact O-N 3.01Š| ||
| 84 | P | 48 | Very low | 40.2 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 16.2 | -169.5 | 31 | -36.7 | 0 | 0 | 0 | 116.2 | ||
| 85 | D | 38.9 | Very low | 39 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 4.8 | -164.9 | -74.6 | -56.3 | 0 | 0 | 0 | 116.5 | S83 | S83-D85 PolarHBondContact O-N 3.01Š|
| 86 | D | 39.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -123.3 | 94.5 | 171.5 | -81.4 | -69.5 | 0 | 0 | 0 | 110 | P88 | D86-P88 WeakPolarHBondContact O-CD 3.15Š| ||
| 87 | V | 38.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -98.2 | 101.5 | 165.7 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | S89 | V87-S89 PolarHBondContact O-N 3.14Š| ||
| 88 | P | 40.9 | Very low | 36.5 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -75.2 | 115.7 | 164.8 | -4.5 | 22.2 | 0 | 0 | 0 | 107.9 | D86 C90 | D86-P88 WeakPolarHBondContact O-CD 3.15Å; P88-C90 PolarHBondContact O-N 2.73Å | ||
| 89 | S | 30.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -50.7 | 118.8 | 171 | -53.8 | 0 | 0 | 0 | 0 | 111 | V87 | V87-S89 PolarHBondContact O-N 3.14Š| ||
| 90 | C | 30.2 | Very low | 34.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -147.1 | 143.3 | 166.1 | -89.9 | 0 | 0 | 0 | 0 | 110.5 | P88 | P88-C90 PolarHBondContact O-N 2.73Š| ||
| 91 | P | 31.9 | Very low | 33.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 157.6 | -146.7 | 34.4 | -33.5 | 0 | 0 | 0 | 113.5 | E93 | P91-E93 PolarHBondContact O-N 3.16Š| ||
| 92 | E | 28.8 | Very low | 32.9 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -48.1 | 97 | 167.4 | 53.1 | -150.6 | 79.3 | 0 | 0 | 113.4 | ||||
| 93 | E | 36.8 | Very low | 32.3 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -124 | 124.5 | 162.6 | -70.4 | -167.8 | 119.8 | 0 | 0 | 111 | P91 F95 | P91-E93 PolarHBondContact O-N 3.16Å; E93-F95 PolarHBondContact O-N 2.73Å | ||
| 94 | E | 28.6 | Very low | 31.9 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -59.9 | 114.1 | -176.5 | -172 | 168.4 | 145.2 | 0 | 0 | 111.8 | ||||
| 95 | F | 27.5 | Very low | 30.7 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -118.1 | 101 | 175.3 | -148.1 | -90.8 | 0 | 0 | 0 | 110.4 | E93 P97 | E93-F95 PolarHBondContact O-N 2.73Å; F95-P97 WeakPolarHBondContact O-CD 2.9Å | ||
| 96 | T | 27.2 | Very low | 30.1 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 116.8 | 173.8 | -20.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 97 | P | 31.4 | Very low | 29.4 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 137.4 | 174.1 | 30.5 | -31.2 | 0 | 0 | 0 | 110.8 | F95 I99 | F95-P97 WeakPolarHBondContact O-CD 2.9Å; P97-I99 PolarHBondContact O-N 3.45Å |
| 98 | P | 28.6 | Very low | 28.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 129 | 178.3 | 29.3 | -32.1 | 0 | 0 | 0 | 110.5 | H100 | P98-H100 PolarHBondContact O-N 3.34Š|
| 99 | I | 28.7 | Very low | 28 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -81.8 | 103.4 | 176.6 | -52.9 | 168.6 | 0 | 0 | 0 | 107.5 | P97 | P97-I99 PolarHBondContact O-N 3.45Š| ||
| 100 | H | 29.5 | Very low | 27.7 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -130.7 | 114.2 | 162.5 | -106 | 36.5 | 0 | 0 | 0 | 110.5 | P98 | P98-H100 PolarHBondContact O-N 3.34Š| ||
| 101 | G | 24.9 | Very low | 27.5 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -76.6 | 150.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 102 | R | 27.1 | Very low | 27 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 56% | 0.562 | 77% | 0.768 | S | S | * | * | trans | -153.3 | 128 | 156.1 | -110.3 | 167.9 | 174.5 | 170.1 | 0.4 | 109.9 | D52 | D52-R102 IonicContact OD2-CZ 3.99Å; D52-R102 VanDerWaalsContact OD2-CZ 3.24Å; D52-R102 IonicContact OD2-NE 3.04Å; D52-R102 PolarHBondContact OD2-NE 3.17Å; D52-R102 IonicContact OD2-NH2 2.87Å; D52-R102 PolarHBondContact OD2-NH2 3.1Å | ||
| 103 | H | 24.6 | Very low | 26.9 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | -82.7 | 135.7 | 175 | -82.5 | -109.3 | 0 | 0 | 0 | 109.1 | ||||
| 104 | V | 27.4 | Very low | 26.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | -117.4 | 119.1 | 172.5 | -174 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | A | 23.9 | Very low | 26.1 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -69.1 | 151.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | R214 | A105-R214 PolarHBondContact O-NH2 3.06Š| ||
| 106 | S | 26.2 | Very low | 26 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 48% | 0.476 | 77% | 0.766 | S | S | . | * | trans | -125.1 | 119.8 | 168.8 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | R214 | S106-R214 VanDerWaalsContact CA-NH2 3.31Š| ||
| 107 | A | 24.4 | Very low | 25.9 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -63.6 | 136.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 108 | A | 26 | Very low | 25.6 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -101.6 | 128.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 109 | V | 25 | Very low | 25.5 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -95.3 | 115.8 | 169.7 | 166.9 | 0 | 0 | 0 | 0 | 107.3 | T111 | V109-T111 HydrophobicContact CG1-CG2 4.29Š| ||
| 110 | E | 23.6 | Very low | 25.4 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -80.3 | 125 | 164.4 | -78.5 | 179.4 | 144.4 | 0 | 0 | 108.5 | ||||
| 111 | T | 26.3 | Very low | 25.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -115.1 | 106.4 | 166.9 | 26.4 | 0 | 0 | 0 | 0 | 108.2 | V109 | V109-T111 HydrophobicContact CG1-CG2 4.29Š| ||
| 112 | S | 21.6 | Very low | 25.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 126.9 | 170.1 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 113 | A | 25.7 | Very low | 24.9 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -111.3 | 122.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 114 | M | 23.9 | Very low | 24.8 | Very low | 194 Ų | 194 | 123.8 Ų | 123.8 | 96% | 0.956 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 136.6 | -177.9 | -68.4 | 171.2 | 164.5 | 0 | 0 | 112.1 | ||||
| 115 | V | 24.4 | Very low | 24.6 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -89.6 | 124.7 | 170.2 | 171.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 116 | S | 24.7 | Very low | 24.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -120.3 | 128.3 | 168.7 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 117 | H | 25.5 | Very low | 24.5 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -66.3 | 136 | -179 | -86.4 | -102 | 0 | 0 | 0 | 112.5 | ||||
| 118 | R | 26.4 | Very low | 24.6 | Very low | 243 Ų | 243 | 127.2 Ų | 127.2 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | -173.1 | 153 | 117.2 | -101.3 | 175 | -170.7 | -166.9 | 3.9 | 112.7 | |||||
| 119 | P | 26.4 | Very low | 24.9 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -102.2 | 178.6 | -164 | 40.9 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 120 | A | 25.9 | Very low | 25.1 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | trans | 98.4 | 119.8 | 160 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 121 | D | 24.7 | Very low | 25.4 | Very low | 157 Ų | 157 | 119.7 Ų | 119.7 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 80.8 | 121.4 | 150.3 | -50.9 | -28.3 | 0 | 0 | 0 | 118.3 | ||
| 122 | A | 24.9 | Very low | 25.6 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | 80.3 | 83.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | A124 | A122-A124 PolarHBondContact O-N 3.29Š| ||
| 123 | A | 21.9 | Very low | 26 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 86% | 0.86 | 61% | 0.609 | S | S | * | * | trans | -69.3 | 72.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 124 | A | 22.2 | Very low | 26.3 | Very low | 67 Ų | 67 | 107.7 Ų | 107.7 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | trans | -85.8 | 102.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | A122 W126 | A122-A124 PolarHBondContact O-N 3.29Å; A124-W126 PolarHBondContact O-N 3.29Å; A124-W126 VanDerWaalsContact O-N 3.15Å | ||
| 125 | V | 23.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 99.4 Ų | 99.4 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | trans | -79.9 | 96.7 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | W127 | V125-W127 HydrophobicContact CG1-CD2 4.42Å; V125-W127 HydrophobicContact CG1-CZ2 3.7Å; V125-W127 VanDerWaalsContact O-CD1 3.28Å; V125-W127 PolarHBondContact O-NE1 3.22Å | ||
| 126 | W | 25.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 99.9 Ų | 99.9 | 61% | 0.614 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 127.3 | 175.4 | -69.7 | 81.7 | 0 | 0 | 0 | 110.2 | A124 P224 | A124-W126 PolarHBondContact O-N 3.29Å; A124-W126 VanDerWaalsContact O-N 3.15Å; W126-P224 HydrophobicContact CE3-CB 4.4Å; W126-P224 HydrophobicContact CH2-CB 3.34Å; W126-P224 HydrophobicContact CZ2-CB 3.52Å; W126-P224 HydrophobicContact CZ3-CB 3.79Å |
| 127 | W | 22.7 | Very low | 26.9 | Very low | 118 Ų | 118 | 97.5 Ų | 97.5 | 45% | 0.447 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 127.6 | -174.7 | -60.6 | 81 | 0 | 0 | 0 | 111 | V125 E189 R190 | V125-W127 HydrophobicContact CG1-CD2 4.42Å; V125-W127 HydrophobicContact CG1-CZ2 3.7Å; V125-W127 VanDerWaalsContact O-CD1 3.28Å; V125-W127 PolarHBondContact O-NE1 3.22Å; W127-E189 HydrophobicContact CE3-CB 3.89Å; W127-E189 HydrophobicContact CZ3-CB 4.37Å; W127-R190 HydrophobicContact CZ3-CG 4.31Å |
| 128 | P | 26.9 | Very low | 26.9 | Very low | 38 Ų | 38 | 100.5 Ų | 100.5 | 25% | 0.247 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 132.5 | 178.9 | 29.9 | -34 | 0 | 0 | 0 | 111.2 | E189 | P128-E189 VanDerWaalsContact CD-OE2 3.26Å; P128-E189 WeakPolarHBondContact CD-OE2 3.26Å; P128-E189 HydrophobicContact CG-CG 3.95Å; P128-E189 VanDerWaalsContact CG-OE1 3.25Å; P128-E189 WeakPolarHBondContact CG-OE1 3.09Å |
| 129 | R | 30.6 | Very low | 26.9 | Very low | 142 Ų | 142 | 94.6 Ų | 94.6 | 54% | 0.536 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.2 | 174.5 | -78.9 | -179.9 | 165.1 | -176.9 | -1.3 | 110.5 | F131 L187 Q220 | R129-F131 HydrophobicContact CB-CE2 4.41Å; R129-L187 VanDerWaalsContact CA-O 3.31Å; R129-L187 WeakPolarHBondContact CA-O 3.25Å; R129-Q220 PolarHBondContact O-N 3.22Å |
| 130 | R | 29.7 | Very low | 26.9 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138.3 | 177 | -53.5 | -170.8 | -176.8 | -175.7 | 1.9 | 110.5 | L187 E189 V217 H218 T219 | R130-L187 HydrophobicContact CB-CB 4.19Å; R130-L187 HydrophobicContact CB-CD1 4.31Å; R130-L187 PolarHBondContact N-O 2.79Å; R130-L187 VanDerWaalsContact N-O 3.07Å; R130-L187 WeakPolarHBondContact O-CB 3.22Å; R130-L187 WeakPolarHBondContact O-CG 3.21Å; R130-L187 PolarHBondContact O-N 2.9Å; R130-E189 IonicContact CZ-OE1 3.78Å; R130-E189 IonicContact NE-OE1 3.79Å; R130-E189 IonicContact NH2-OE1 2.93Å; R130-E189 PolarHBondContact NH2-OE1 3.11Å; R130-V217 HydrophobicContact CB-CG1 3.99Å; R130-V217 HydrophobicContact CG-CG1 4.48Å; R130-H218 CarbonylContact C-O 3.41Å; R130-H218 WeakPolarHBondContact CA-O 3.26Å; R130-T219 HydrophobicContact CG-CG2 4.1Å |
| 131 | F | 30.5 | Very low | 26.8 | Very low | 33 Ų | 33 | 107.5 Ų | 107.5 | 15% | 0.145 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.9 | 177.7 | -66.5 | -88.5 | 0 | 0 | 0 | 110.9 | R129 F184 V185 A186 V217 H218 Q220 F222 | R129-F131 HydrophobicContact CB-CE2 4.41Å; F131-F184 HydrophobicContact CD1-CB 4.38Å; F131-V185 VanDerWaalsContact CA-O 3.26Å; F131-V185 WeakPolarHBondContact CA-O 2.96Å; F131-A186 HydrophobicContact CE1-CB 3.86Å; F131-A186 HydrophobicContact CZ-CB 4.19Å; F131-V217 CarbonylContact O-C 3.49Å; F131-V217 WeakPolarHBondContact O-CA 3.1Å; F131-H218 HydrophobicContact CB-CB 4.06Å; F131-H218 PolarHBondContact N-O 3.25Å; F131-H218 PolarHBondContact O-N 3.09Å; F131-Q220 HydrophobicContact CD2-CB 4.42Å; F131-Q220 HydrophobicContact CD2-CG 4.22Å; F131-Q220 HydrophobicContact CE2-CB 4Å; F131-Q220 HydrophobicContact CE2-CG 4.09Å; F131-F222 HydrophobicContact CE2-CE2 4.18Å; F131-F222 HydrophobicContact CZ-CE2 4.27Å |
| 132 | V | 30.7 | Very low | 26.8 | Very low | 4 Ų | 4 | 106.5 Ų | 106.5 | 2% | 0.024 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.4 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | F134 L187 I215 V216 | V132-F134 HydrophobicContact CB-CE2 4.23Å; V132-F134 HydrophobicContact CG1-CD2 4.19Å; V132-F134 HydrophobicContact CG1-CE2 3.62Å; V132-F134 HydrophobicContact CG1-CZ 3.88Å; V132-L187 HydrophobicContact CG2-CD1 3.63Å; V132-I215 HydrophobicContact CG1-CG2 3.79Å; V132-V216 CarbonylContact C-O 3.09Å; V132-V216 VanDerWaalsContact CA-O 3.27Å; V132-V216 WeakPolarHBondContact CA-O 3.37Å |
| 133 | F | 29.1 | Very low | 26.7 | Very low | 61 Ų | 61 | 106.1 Ų | 106.1 | 27% | 0.268 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.7 | 174.6 | -166.7 | -103.2 | 0 | 0 | 0 | 111.7 | P135 A182 V216 | F133-P135 HydrophobicContact CD1-CB 4.42Å; F133-P135 HydrophobicContact CD1-CG 3.98Å; F133-P135 HydrophobicContact CE1-CB 3.85Å; F133-P135 HydrophobicContact CE1-CG 3.87Å; F133-A182 HydrophobicContact CD2-CB 4.31Å; F133-A182 HydrophobicContact CE2-CB 3.81Å; F133-V216 HydrophobicContact CB-CB 3.67Å; F133-V216 HydrophobicContact CB-CG2 4.07Å; F133-V216 HydrophobicContact CD1-CG2 4.2Å; F133-V216 PolarHBondContact N-O 3.36Å |
| 134 | F | 31.9 | Very low | 26.8 | Very low | 37 Ų | 37 | 108 Ų | 108 | 16% | 0.162 | 51% | 0.513 | C | S | . | . | trans | -129.4 | 101.8 | 173.5 | -69.7 | -89.1 | 0 | 0 | 0 | 110.5 | V132 L183 | V132-F134 HydrophobicContact CB-CE2 4.23Å; V132-F134 HydrophobicContact CG1-CD2 4.19Å; V132-F134 HydrophobicContact CG1-CE2 3.62Å; V132-F134 HydrophobicContact CG1-CZ 3.88Å; F134-L183 HydrophobicContact CD2-CB 4.26Å; F134-L183 HydrophobicContact CD2-CD2 3.82Å; F134-L183 HydrophobicContact CE2-CD2 3.94Å | ||
| 135 | P | 29.8 | Very low | 27 | Very low | 20 Ų | 20 | 113.5 Ų | 113.5 | 13% | 0.13 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -81.2 | 140.8 | 167.3 | 23.5 | -13.5 | 0 | 0 | 0 | 109.9 | F133 R214 | F133-P135 HydrophobicContact CD1-CB 4.42Å; F133-P135 HydrophobicContact CD1-CG 3.98Å; F133-P135 HydrophobicContact CE1-CB 3.85Å; F133-P135 HydrophobicContact CE1-CG 3.87Å; P135-R214 VanDerWaalsContact CD-O 3.26Å; P135-R214 WeakPolarHBondContact CD-O 3.37Å; P135-R214 HydrophobicContact CG-CB 4.07Å |
| 136 | N | 29.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 78% | 0.781 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 82.8 | 24.3 | 174.3 | -75.5 | -45.7 | 0 | 0 | 0 | 120.5 | ||
| 137 | C | 28.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | trans | -90.8 | 106.6 | 168.5 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | L139 | C137-L139 PolarHBondContact O-N 3.06Š| ||
| 138 | R | 25.2 | Very low | 26.9 | Very low | 236 Ų | 236 | 117 Ų | 117 | 89% | 0.891 | 57% | 0.565 | S | S | * | * | trans | -64.4 | 99.1 | 158.2 | -85.5 | -172.6 | 176.3 | -179.4 | -1.2 | 108.4 | R140 | R138-R140 PolarHBondContact O-N 3.42Š| ||
| 139 | L | 26.6 | Very low | 26.6 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | trans | -76.5 | 107.2 | 171.1 | -77.6 | 158.6 | 0 | 0 | 0 | 108.8 | C137 | C137-L139 PolarHBondContact O-N 3.06Š| ||
| 140 | R | 24.4 | Very low | 26.3 | Very low | 237 Ų | 237 | 119 Ų | 119 | 89% | 0.894 | 60% | 0.602 | S | S | * | * | trans | -72.3 | 126.6 | 164.7 | -97.7 | -176.1 | 171.9 | -179.1 | -2.5 | 108.4 | R138 V142 | R138-R140 PolarHBondContact O-N 3.42Å; R140-V142 PolarHBondContact O-N 3.16Å; R140-V142 VanDerWaalsContact O-N 3.15Å | ||
| 141 | R | 24.8 | Very low | 26 | Very low | 232 Ų | 232 | 123.4 Ų | 123.4 | 88% | 0.875 | 63% | 0.631 | S | S | * | * | trans | -56.5 | 116 | 164.3 | -115.4 | -177 | -171.9 | 167.1 | 2.1 | 107.5 | S143 | R141-S143 VanDerWaalsContact C-N 3.27Å; R141-S143 PolarHBondContact O-N 2.71Å | ||
| 142 | V | 25.4 | Very low | 25.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -82.7 | 86.2 | 160.3 | -178.5 | 0 | 0 | 0 | 0 | 104.9 | R140 D144 | R140-V142 PolarHBondContact O-N 3.16Å; R140-V142 VanDerWaalsContact O-N 3.15Å; V142-D144 PolarHBondContact O-N 3.37Å | ||
| 143 | S | 23.1 | Very low | 25.4 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -72.8 | 107 | 157.3 | -77.9 | 0 | 0 | 0 | 0 | 105.8 | R141 | R141-S143 VanDerWaalsContact C-N 3.27Å; R141-S143 PolarHBondContact O-N 2.71Å | ||
| 144 | D | 23.9 | Very low | 25.3 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | trans | 174 | 133.7 | 131.8 | -82.3 | -24.9 | 0 | 0 | 0 | 109 | V142 | V142-D144 PolarHBondContact O-N 3.37Š| ||
| 145 | Q | 26.4 | Very low | 24.9 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 87.7 | 82.2 | 172.2 | -60.6 | 175.3 | 5.4 | 0 | 0 | 117.6 | ||||
| 146 | Q | 23.4 | Very low | 24.7 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | 34.8 | 101.1 | 124 | -75.5 | 166.6 | -15.4 | 0 | 0 | 117.4 | |||||
| 147 | S | 22.4 | Very low | 24.5 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | 162.7 | 143.5 | 114.5 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 148 | I | 23.2 | Very low | 24.4 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 80.7 | 81 | 179.1 | -42.9 | 174.2 | 0 | 0 | 0 | 113.7 | T150 | I148-T150 PolarHBondContact O-N 3.04Š| ||
| 149 | A | 20.9 | Very low | 24.5 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -46.1 | 127.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 150 | T | 24.6 | Very low | 24.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -138.8 | 113.2 | 149 | 7.5 | 0 | 0 | 0 | 0 | 106.7 | I148 V152 | I148-T150 PolarHBondContact O-N 3.04Å; T150-V152 PolarHBondContact O-N 3.06Å | ||
| 151 | D | 23.1 | Very low | 25 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 113.5 | -178 | -142.1 | -11 | 0 | 0 | 0 | 109.7 | ||||
| 152 | V | 25.3 | Very low | 25.2 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | -98.2 | 94.3 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | T150 V154 | T150-V152 PolarHBondContact O-N 3.06Å; V152-V154 PolarHBondContact O-N 3.08Å | ||
| 153 | S | 23.6 | Very low | 25.3 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 112.2 | 173 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | V | 25.3 | Very low | 25.5 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 110.5 | 171.4 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | V152 | V152-V154 PolarHBondContact O-N 3.08Š| ||
| 155 | R | 24 | Very low | 25.8 | Very low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -103.5 | 118.9 | 169.5 | -81.3 | -166.8 | 179.2 | -169.8 | -0.3 | 109.9 | ||||
| 156 | P | 25.3 | Very low | 26.1 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -80.9 | 142.6 | 171.7 | 32.5 | -29.1 | 0 | 0 | 0 | 110.1 | ||||
| 157 | H | 26.5 | Very low | 26.3 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | 53.6 | 104.3 | 162.6 | -67.1 | -78 | 0 | 0 | 0 | 118.3 | ||||
| 158 | G | 26.3 | Very low | 26.9 | Very low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -177.1 | 146.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V160 | G158-V160 PolarHBondContact O-N 3.41Š| ||
| 159 | P | 26.9 | Very low | 27.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -63 | 137.3 | -173.7 | 28.6 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 160 | V | 30.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 11.3 | 100.2 | 167 | -174.5 | 0 | 0 | 0 | 0 | 113.7 | G158 Q162 | G158-V160 PolarHBondContact O-N 3.41Å; V160-Q162 PolarHBondContact O-N 3.41Å | ||
| 161 | P | 31.4 | Very low | 28.7 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 113.5 | 176.7 | 28.2 | -30.7 | 0 | 0 | 0 | 108 | M163 | P161-M163 PolarHBondContact O-N 2.06Å; P161-M163 VanDerWaalsContact O-N 3.16Å | ||
| 162 | Q | 27.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -44.9 | 123.8 | 160.5 | -65.2 | 179.5 | 17.3 | 0 | 0 | 107.4 | V160 L164 | V160-Q162 PolarHBondContact O-N 3.41Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.08Å | ||
| 163 | M | 27.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 139 Ų | 139 | 86% | 0.862 | 76% | 0.758 | S | S | * | * | trans | -49.1 | 92.2 | -178.1 | -86.4 | 171.2 | 47.8 | 0 | 0 | 111 | P161 R165 | P161-M163 PolarHBondContact O-N 2.06Å; P161-M163 VanDerWaalsContact O-N 3.16Å; M163-R165 PolarHBondContact O-N 2.74Å; M163-R165 VanDerWaalsContact O-N 3.14Å | ||
| 164 | L | 28.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -79.1 | 101.5 | 169.4 | -147.6 | 83.5 | 0 | 0 | 0 | 106.5 | Q162 K166 | Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.08Å; L164-K166 PolarHBondContact O-N 3.47Å; L164-K166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | R | 29 | Very low | 30.9 | Very low | 206 Ų | 206 | 139 Ų | 139 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | trans | -45.6 | 114.6 | 171.6 | -73.3 | 178.5 | 167.7 | 170.8 | -3.9 | 109.4 | M163 | M163-R165 PolarHBondContact O-N 2.74Å; M163-R165 VanDerWaalsContact O-N 3.14Å | ||
| 166 | K | 32.3 | Very low | 31.5 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -137.4 | 113.8 | 162.3 | -148.7 | 173.6 | -175.5 | -179.1 | 0 | 108.1 | L164 G168 | L164-K166 PolarHBondContact O-N 3.47Å; L164-K166 VanDerWaalsContact O-N 3.1Å; K166-G168 PolarHBondContact O-N 3.1Å | ||
| 167 | D | 29.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -53.5 | 115.3 | -178.8 | -66.7 | -64.6 | 0 | 0 | 0 | 111.6 | ||||
| 168 | G | 33.4 | Very low | 32.6 | Very low | 56 Ų | 56 | 137.1 Ų | 137.1 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 152.1 | 153 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K166 G170 | K166-G168 PolarHBondContact O-N 3.1Å; G168-G170 PolarHBondContact O-N 2.75Å |
| 169 | P | 35.9 | Very low | 32.8 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 93% | 0.929 | 73% | 0.731 | S | S | * | * | trans | -74 | 72.9 | 176.2 | 32.9 | -33.7 | 0 | 0 | 0 | 109.8 | ||||
| 170 | G | 33 | Very low | 33 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | trans | -79.6 | 120.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G168 L172 | G168-G170 PolarHBondContact O-N 2.75Å; G170-L172 PolarHBondContact O-N 3.36Å | ||
| 171 | K | 38.5 | Very low | 33 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | -74.7 | 103.3 | 166.1 | -68.1 | 176.6 | -177.1 | 171.9 | 0 | 107.6 | F173 | K171-F173 HydrophobicContact CB-CD2 4.49Å; K171-F173 HydrophobicContact CB-CE2 3.88Å; K171-F173 HydrophobicContact CB-CZ 4.46Å | ||
| 172 | L | 31.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 124 Ų | 124 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | trans | -79 | 130.5 | 167.6 | -137.3 | 76.9 | 0 | 0 | 0 | 107.8 | G170 F184 | G170-L172 PolarHBondContact O-N 3.36Å; L172-F184 WeakPolarHBondContact O-CD2 3.26Å; L172-F184 WeakPolarHBondContact O-CE2 3.44Å | ||
| 173 | F | 37.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 48% | 0.478 | 63% | 0.626 | S | S | . | * | trans | -108.5 | 126.3 | 168.8 | -67.9 | -95.7 | 0 | 0 | 0 | 106.5 | K171 A182 L183 | K171-F173 HydrophobicContact CB-CD2 4.49Å; K171-F173 HydrophobicContact CB-CE2 3.88Å; K171-F173 HydrophobicContact CB-CZ 4.46Å; F173-A182 WeakPolarHBondContact CD1-O 3.15Å; F173-L183 HydrophobicContact CE1-CD1 4.26Å | ||
| 174 | D | 36.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 113.8 Ų | 113.8 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | trans | -106.9 | 133.7 | 173.3 | -140.8 | -34.3 | 0 | 0 | 0 | 107.2 | A182 F184 | D174-A182 WeakPolarHBondContact O-CB 3.27Å; D174-A182 PolarHBondContact O-N 3.01Å; D174-F184 HydrophobicContact CB-CE2 4.03Å; D174-F184 HydrophobicContact CB-CZ 4.04Å | ||
| 175 | L | 36.3 | Very low | 34 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 105.4 | 175.5 | -90.5 | 142.7 | 0 | 0 | 0 | 106 | ||
| 176 | D | 37.5 | Very low | 34.2 | Very low | 76 Ų | 76 | 100.2 Ų | 100.2 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.2 | 146.6 | 169 | -173.5 | 22.3 | 0 | 0 | 0 | 108.7 | R178 G179 C180 | D176-R178 PolarHBondContact O-N 2.94Å; D176-G179 PolarHBondContact O-N 3.34Å; D176-C180 HydrophobicContact CB-CB 4.3Å; D176-C180 PolarHBondContact N-O 3.44Å |
| 177 | E | 39.7 | Very low | 34.3 | Very low | 203 Ų | 203 | 91.6 Ų | 91.6 | 95% | 0.949 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -1.2 | -176.4 | -63.8 | -172.6 | 145.6 | 0 | 0 | 113.5 | ||
| 178 | R | 34.1 | Very low | 34.4 | Very low | 212 Ų | 212 | 86.8 Ų | 86.8 | 80% | 0.8 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 11.6 | 175.6 | -58.5 | 179.4 | -175.6 | -159.6 | -0.4 | 114.1 | D176 C180 | D176-R178 PolarHBondContact O-N 2.94Å; R178-C180 PolarHBondContact O-N 3.39Å |
| 179 | G | 32.2 | Very low | 34.5 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 23 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D176 | D176-G179 PolarHBondContact O-N 3.34Š|
| 180 | C | 29.7 | Very low | 34.4 | Very low | 26 Ų | 26 | 88.5 Ų | 88.5 | 18% | 0.176 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.9 | 179.7 | -64.9 | 0 | 0 | 0 | 0 | 110 | D176 R178 A182 | D176-C180 HydrophobicContact CB-CB 4.3Å; D176-C180 PolarHBondContact N-O 3.44Å; R178-C180 PolarHBondContact O-N 3.39Å; C180-A182 PolarHBondContact O-N 3.34Å |
| 181 | A | 31.5 | Very low | 34.6 | Very low | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 115.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 182 | A | 29.9 | Very low | 34.6 | Very low | 4 Ų | 4 | 88.5 Ų | 88.5 | 3% | 0.033 | 45% | 0.453 | C | S | . | . | trans | -85.4 | 118.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F133 F173 D174 C180 F184 | F133-A182 HydrophobicContact CD2-CB 4.31Å; F133-A182 HydrophobicContact CE2-CB 3.81Å; F173-A182 WeakPolarHBondContact CD1-O 3.15Å; D174-A182 WeakPolarHBondContact O-CB 3.27Å; D174-A182 PolarHBondContact O-N 3.01Å; C180-A182 PolarHBondContact O-N 3.34Å; A182-F184 HydrophobicContact CB-CD2 4.21Å; A182-F184 HydrophobicContact CB-CE2 3.58Å; A182-F184 HydrophobicContact CB-CZ 4.09Å | ||
| 183 | L | 34.2 | Very low | 35.3 | Very low | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | trans | -88.7 | 114.5 | 167.9 | -168.4 | 99 | 0 | 0 | 0 | 109 | F134 F173 V185 | F134-L183 HydrophobicContact CD2-CB 4.26Å; F134-L183 HydrophobicContact CD2-CD2 3.82Å; F134-L183 HydrophobicContact CE2-CD2 3.94Å; F173-L183 HydrophobicContact CE1-CD1 4.26Å; L183-V185 HydrophobicContact CD2-CG2 3.41Å; L183-V185 VanDerWaalsContact CD2-CG2 3.41Å; L183-V185 HydrophobicContact CG-CG2 4.06Å | ||
| 184 | F | 35.6 | Very low | 35.7 | Very low | 90 Ų | 90 | 81.6 Ų | 81.6 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | trans | -92.6 | 124.4 | 172.5 | -64.4 | -97.1 | 0 | 0 | 0 | 110.1 | F131 L172 D174 A182 | F131-F184 HydrophobicContact CD1-CB 4.38Å; L172-F184 WeakPolarHBondContact O-CD2 3.26Å; L172-F184 WeakPolarHBondContact O-CE2 3.44Å; D174-F184 HydrophobicContact CB-CE2 4.03Å; D174-F184 HydrophobicContact CB-CZ 4.04Å; A182-F184 HydrophobicContact CB-CD2 4.21Å; A182-F184 HydrophobicContact CB-CE2 3.58Å; A182-F184 HydrophobicContact CB-CZ 4.09Å | ||
| 185 | V | 36.4 | Very low | 36 | Very low | 34 Ų | 34 | 84.5 Ų | 84.5 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | trans | -126.3 | 105.3 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | F131 L183 L187 | F131-V185 VanDerWaalsContact CA-O 3.26Å; F131-V185 WeakPolarHBondContact CA-O 2.96Å; L183-V185 HydrophobicContact CD2-CG2 3.41Å; L183-V185 VanDerWaalsContact CD2-CG2 3.41Å; L183-V185 HydrophobicContact CG-CG2 4.06Å; V185-L187 HydrophobicContact CG1-CD2 4.04Å; V185-L187 HydrophobicContact CG1-CG 4.19Å; V185-L187 PolarHBondContact O-N 3.28Å | ||
| 186 | A | 32.3 | Very low | 36.3 | Very low | 53 Ų | 53 | 79.7 Ų | 79.7 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | trans | -69.5 | 122 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F131 | F131-A186 HydrophobicContact CE1-CB 3.86Å; F131-A186 HydrophobicContact CZ-CB 4.19Å | ||
| 187 | L | 34.7 | Very low | 36.8 | Very low | 14 Ų | 14 | 82.5 Ų | 82.5 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 135.7 | 179.3 | -63.4 | 159.7 | 0 | 0 | 0 | 111 | R129 R130 V132 V185 L194 | R129-L187 VanDerWaalsContact CA-O 3.31Å; R129-L187 WeakPolarHBondContact CA-O 3.25Å; R130-L187 HydrophobicContact CB-CB 4.19Å; R130-L187 HydrophobicContact CB-CD1 4.31Å; R130-L187 PolarHBondContact N-O 2.79Å; R130-L187 VanDerWaalsContact N-O 3.07Å; R130-L187 WeakPolarHBondContact O-CB 3.22Å; R130-L187 WeakPolarHBondContact O-CG 3.21Å; R130-L187 PolarHBondContact O-N 2.9Å; V132-L187 HydrophobicContact CG2-CD1 3.63Å; V185-L187 HydrophobicContact CG1-CD2 4.04Å; V185-L187 HydrophobicContact CG1-CG 4.19Å; V185-L187 PolarHBondContact O-N 3.28Å; L187-L194 HydrophobicContact CD1-CD2 3.44Å; L187-L194 VanDerWaalsContact CD1-CD2 3.44Å; L187-L194 HydrophobicContact CD2-CD2 4.32Å; L187-L194 HydrophobicContact CG-CD2 4.38Å |
| 188 | D | 32.4 | Very low | 37 | Very low | 73 Ų | 73 | 79.8 Ų | 79.8 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | trans | -84.9 | 136.6 | 170.1 | -170.6 | 6.9 | 0 | 0 | 0 | 109.8 | R190 Q191 | D188-R190 PolarHBondContact O-N 2.87Å; D188-Q191 HydrophobicContact CB-CG 4.48Å; D188-Q191 PolarHBondContact O-N 3.27Å | ||
| 189 | E | 34.4 | Very low | 37.4 | Very low | 57 Ų | 57 | 72.9 Ų | 72.9 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -60.4 | -21.2 | -174.1 | -88.5 | -163.5 | 143.6 | 0 | 0 | 113.8 | W127 P128 R130 Q191 | W127-E189 HydrophobicContact CE3-CB 3.89Å; W127-E189 HydrophobicContact CZ3-CB 4.37Å; P128-E189 VanDerWaalsContact CD-OE2 3.26Å; P128-E189 WeakPolarHBondContact CD-OE2 3.26Å; P128-E189 HydrophobicContact CG-CG 3.95Å; P128-E189 VanDerWaalsContact CG-OE1 3.25Å; P128-E189 WeakPolarHBondContact CG-OE1 3.09Å; R130-E189 IonicContact CZ-OE1 3.78Å; R130-E189 IonicContact NE-OE1 3.79Å; R130-E189 IonicContact NH2-OE1 2.93Å; R130-E189 PolarHBondContact NH2-OE1 3.11Å; E189-Q191 PolarHBondContact O-N 2.73Å |
| 190 | R | 34.1 | Very low | 38.3 | Very low | 179 Ų | 179 | 76.6 Ų | 76.6 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -74.9 | -6.4 | 177.5 | -60.4 | -175.2 | 177.6 | -162.4 | 0.8 | 114 | W127 D188 | W127-R190 HydrophobicContact CZ3-CG 4.31Å; D188-R190 PolarHBondContact O-N 2.87Å |
| 191 | Q | 38 | Very low | 39 | Very low | 122 Ų | 122 | 76.9 Ų | 76.9 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -98.5 | 21.7 | -176.1 | -61.1 | -172.1 | 11 | 0 | 0 | 114 | D188 E189 P193 L194 | D188-Q191 HydrophobicContact CB-CG 4.48Å; D188-Q191 PolarHBondContact O-N 3.27Å; E189-Q191 PolarHBondContact O-N 2.73Å; Q191-P193 CarbonylContact O-C 3.45Å; Q191-L194 PolarHBondContact O-N 2.88Å |
| 192 | L | 38.1 | Very low | 39.8 | Very low | 103 Ų | 103 | 80.9 Ų | 80.9 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | trans | -72.3 | 126.2 | 164.6 | -76.9 | 155.7 | 0 | 0 | 0 | 109.4 | L194 | L192-L194 HydrophobicContact CD2-CG 4.37Š| ||
| 193 | P | 46.8 | Very low | 40.7 | Very low | 51 Ų | 51 | 81.3 Ų | 81.3 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | S | Bend | cis | -83.7 | 127.1 | 7.9 | 31.2 | -31.2 | 0 | 0 | 0 | 112 | Q191 R195 R202 | Q191-P193 CarbonylContact O-C 3.45Å; P193-R195 WeakPolarHBondContact O-CG 3.5Å; P193-R195 PolarHBondContact O-N 2.8Å; P193-R202 HydrophobicContact CB-CG 4.23Å; P193-R202 HydrophobicContact CG-CG 4Å |
| 194 | L | 44.5 | Very low | 41.1 | Very low | 38 Ų | 38 | 84 Ų | 84 | 20% | 0.199 | 41% | 0.412 | C | S | . | . | trans | -35.2 | 126.1 | 175.8 | -64.3 | 170.8 | 0 | 0 | 0 | 111.5 | L187 Q191 L192 R202 I203 | L187-L194 HydrophobicContact CD1-CD2 3.44Å; L187-L194 VanDerWaalsContact CD1-CD2 3.44Å; L187-L194 HydrophobicContact CD2-CD2 4.32Å; L187-L194 HydrophobicContact CG-CD2 4.38Å; Q191-L194 PolarHBondContact O-N 2.88Å; L192-L194 HydrophobicContact CD2-CG 4.37Å; L194-R202 CarbonylContact O-C 3.54Å; L194-R202 VanDerWaalsContact O-CA 3.27Å; L194-R202 WeakPolarHBondContact O-CA 3.47Å; L194-I203 HydrophobicContact CB-CB 3.78Å; L194-I203 HydrophobicContact CB-CD1 3.58Å; L194-I203 HydrophobicContact CB-CG1 3.68Å; L194-I203 HydrophobicContact CD1-CB 4.5Å; L194-I203 HydrophobicContact CD1-CD1 4.33Å; L194-I203 HydrophobicContact CG-CD1 4.43Å; L194-I203 WeakPolarHBondContact O-CG1 3.31Å; L194-I203 PolarHBondContact O-N 3.31Å | ||
| 195 | R | 44.1 | Very low | 41.5 | Very low | 156 Ų | 156 | 87.8 Ų | 87.8 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | B | Isolated β-bridge | trans | -112.5 | 138.1 | 176.7 | -61.8 | -171.4 | -175.9 | -143.9 | 8.8 | 110.4 | P193 I197 S201 | P193-R195 WeakPolarHBondContact O-CG 3.5Å; P193-R195 PolarHBondContact O-N 2.8Å; R195-I197 PolarHBondContact O-N 3.32Å; R195-S201 WeakPolarHBondContact CA-O 3.48Å |
| 196 | C | 42.6 | Very low | 41.9 | Very low | 15 Ų | 15 | 87.2 Ų | 87.2 | 10% | 0.101 | 42% | 0.419 | C | S | . | . | trans | -58.3 | 126.3 | 166.7 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | I198 C199 R200 S201 L206 | C196-I198 VanDerWaalsContact C-N 3.26Å; C196-I198 PolarHBondContact O-N 3.14Å; C196-C199 HydrophobicContact CB-CB 4.17Å; C196-C199 WeakPolarHBondContact CB-SG 3.39Å; C196-C199 PolarHBondContact O-N 2.79Å; C196-C199 WeakPolarHBondContact SG-CB 3.37Å; C196-C199 PolarHBondContact SG-N 3.33Å; C196-C199 CovalentContact SG-SG 2.06Å; C196-C199 PolarHBondContact SG-SG 2.75Å; C196-R200 WeakPolarHBondContact O-CA 3.41Å; C196-R200 PolarHBondContact O-N 2.88Å; C196-S201 PolarHBondContact N-O 3.4Å; C196-L206 HydrophobicContact CB-CD1 3.55Å | ||
| 197 | I | 46.9 | Very low | 42.5 | Very low | 134 Ų | 134 | 91.7 Ų | 91.7 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -30.7 | 177.1 | -165.6 | 164.9 | 0 | 0 | 0 | 112.1 | R195 | R195-I197 PolarHBondContact O-N 3.32Š|
| 198 | I | 44.3 | Very low | 43.1 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 75% | 0.754 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -39.8 | -179.9 | -56.4 | 174.5 | 0 | 0 | 0 | 110.8 | C196 | C196-I198 VanDerWaalsContact C-N 3.26Å; C196-I198 PolarHBondContact O-N 3.14Å |
| 199 | C | 43.7 | Very low | 43.8 | Very low | 66 Ų | 66 | 101.1 Ų | 101.1 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -1.5 | -162.8 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | C196 S201 | C196-C199 HydrophobicContact CB-CB 4.17Å; C196-C199 WeakPolarHBondContact CB-SG 3.39Å; C196-C199 PolarHBondContact O-N 2.79Å; C196-C199 WeakPolarHBondContact SG-CB 3.37Å; C196-C199 PolarHBondContact SG-N 3.33Å; C196-C199 CovalentContact SG-SG 2.06Å; C196-C199 PolarHBondContact SG-SG 2.75Å; C199-S201 PolarHBondContact O-N 2.88Å; C199-S201 PolarHBondContact SG-OG 3.18Å |
| 200 | R | 49.7 | Very low | 44.2 | Very low | 143 Ų | 143 | 103.9 Ų | 103.9 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | trans | 49.5 | 4.4 | -176.5 | -64.4 | -174.6 | 178.1 | 176.9 | -1.2 | 115.6 | C196 | C196-R200 WeakPolarHBondContact O-CA 3.41Å; C196-R200 PolarHBondContact O-N 2.88Å | ||
| 201 | S | 45.6 | Very low | 44.6 | Very low | 31 Ų | 31 | 100.8 Ų | 100.8 | 22% | 0.217 | 48% | 0.482 | C | S | . | . | trans | -73.5 | 144.5 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | R195 C196 C199 I203 L206 | R195-S201 WeakPolarHBondContact CA-O 3.48Å; C196-S201 PolarHBondContact N-O 3.4Å; C199-S201 PolarHBondContact O-N 2.88Å; C199-S201 PolarHBondContact SG-OG 3.18Å; S201-I203 PolarHBondContact O-N 2.95Å; S201-L206 WeakPolarHBondContact OG-CD1 3.29Å | ||
| 202 | R | 48.1 | Very low | 44.6 | Very low | 137 Ų | 137 | 104.4 Ų | 104.4 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -57.3 | 130.6 | 174.6 | -65.7 | -179.5 | 179.2 | 179.4 | -1.8 | 107.9 | P193 L194 V204 R205 L206 | P193-R202 HydrophobicContact CB-CG 4.23Å; P193-R202 HydrophobicContact CG-CG 4Å; L194-R202 CarbonylContact O-C 3.54Å; L194-R202 VanDerWaalsContact O-CA 3.27Å; L194-R202 WeakPolarHBondContact O-CA 3.47Å; R202-V204 PolarHBondContact O-N 3.1Å; R202-V204 VanDerWaalsContact O-N 3.09Å; R202-R205 WeakPolarHBondContact O-CA 3.34Å; R202-R205 WeakPolarHBondContact O-CB 3.43Å; R202-R205 PolarHBondContact O-N 3.38Å; R202-L206 PolarHBondContact O-N 3.02Å |
| 203 | I | 47.6 | Very low | 44.6 | Very low | 13 Ų | 13 | 101.1 Ų | 101.1 | 7% | 0.067 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -58.9 | -25.2 | -179.8 | -64.6 | -170.6 | 0 | 0 | 0 | 111.1 | L194 S201 R205 L206 K207 I215 | L194-I203 HydrophobicContact CB-CB 3.78Å; L194-I203 HydrophobicContact CB-CD1 3.58Å; L194-I203 HydrophobicContact CB-CG1 3.68Å; L194-I203 HydrophobicContact CD1-CB 4.5Å; L194-I203 HydrophobicContact CD1-CD1 4.33Å; L194-I203 HydrophobicContact CG-CD1 4.43Å; L194-I203 WeakPolarHBondContact O-CG1 3.31Å; L194-I203 PolarHBondContact O-N 3.31Å; S201-I203 PolarHBondContact O-N 2.95Å; I203-R205 PolarHBondContact O-N 3.43Å; I203-L206 WeakPolarHBondContact O-CB 3.27Å; I203-L206 PolarHBondContact O-N 2.99Å; I203-K207 PolarHBondContact O-N 3.07Å; I203-K207 VanDerWaalsContact O-N 3.14Å; I203-I215 HydrophobicContact CG2-CD1 3.66Å |
| 204 | V | 42.8 | Very low | 44 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 65% | 0.648 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -54.5 | -35 | 168.7 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | R202 | R202-V204 PolarHBondContact O-N 3.1Å; R202-V204 VanDerWaalsContact O-N 3.09Å |
| 205 | R | 44.2 | Very low | 43.8 | Very low | 171 Ų | 171 | 104.9 Ų | 104.9 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -80.6 | -26.7 | 173.7 | -66.7 | -171.5 | 170.4 | 173.4 | -2.9 | 113.2 | R202 I203 Q208 Q209 | R202-R205 WeakPolarHBondContact O-CA 3.34Å; R202-R205 WeakPolarHBondContact O-CB 3.43Å; R202-R205 PolarHBondContact O-N 3.38Å; I203-R205 PolarHBondContact O-N 3.43Å; R205-Q208 PolarHBondContact O-N 3.23Å; R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.47Å; R205-Q209 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 44.4 | Very low | 43.5 | Very low | 21 Ų | 21 | 100.3 Ų | 100.3 | 11% | 0.11 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68 | -37.1 | 175.1 | -91.7 | 100.8 | 0 | 0 | 0 | 112.4 | C196 S201 R202 I203 Q208 Q209 Y210 | C196-L206 HydrophobicContact CB-CD1 3.55Å; S201-L206 WeakPolarHBondContact OG-CD1 3.29Å; R202-L206 PolarHBondContact O-N 3.02Å; I203-L206 WeakPolarHBondContact O-CB 3.27Å; I203-L206 PolarHBondContact O-N 2.99Å; L206-Q208 PolarHBondContact O-N 3.04Å; L206-Q209 PolarHBondContact O-N 3.39Å; L206-Y210 HydrophobicContact CD2-CD2 4.24Å; L206-Y210 HydrophobicContact CD2-CE2 4.32Å; L206-Y210 HydrophobicContact CG-CD2 4.38Å; L206-Y210 HydrophobicContact CG-CE2 4.49Å; L206-Y210 PolarHBondContact O-N 3.18Å |
| 207 | K | 45.1 | Very low | 43.1 | Very low | 147 Ų | 147 | 102.9 Ų | 102.9 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -31.7 | 176.9 | -165.5 | 175.5 | 179.9 | 179.7 | 0 | 112.2 | I203 I215 | I203-K207 PolarHBondContact O-N 3.07Å; I203-K207 VanDerWaalsContact O-N 3.14Å; K207-I215 HydrophobicContact CB-CD1 3.97Å; K207-I215 HydrophobicContact CD-CD1 4.48Å; K207-I215 HydrophobicContact CG-CD1 4.31Å |
| 208 | Q | 48 | Very low | 42.5 | Very low | 159 Ų | 159 | 102 Ų | 102 | 74% | 0.743 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.6 | -35.5 | 175 | -70.8 | -179.5 | -20.4 | 0 | 0 | 112.6 | R205 L206 | R205-Q208 PolarHBondContact O-N 3.23Å; L206-Q208 PolarHBondContact O-N 3.04Å |
| 209 | Q | 46 | Very low | 41.9 | Very low | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -82.7 | -23.1 | -177.3 | -164.7 | 170.2 | -5.4 | 0 | 0 | 113 | R205 L206 | R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.47Å; R205-Q209 VanDerWaalsContact O-N 3.1Å; L206-Q209 PolarHBondContact O-N 3.39Å |
| 210 | Y | 43.7 | Very low | 41.4 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | trans | -132.6 | 80 | -178.6 | -58 | -81.5 | 0 | 0 | 0 | 111 | L206 R212 C213 | L206-Y210 HydrophobicContact CD2-CD2 4.24Å; L206-Y210 HydrophobicContact CD2-CE2 4.32Å; L206-Y210 HydrophobicContact CG-CD2 4.38Å; L206-Y210 HydrophobicContact CG-CE2 4.49Å; L206-Y210 PolarHBondContact O-N 3.18Å; Y210-R212 PolarHBondContact O-N 3.04Å; Y210-R212 VanDerWaalsContact O-N 3.08Å; Y210-C213 VanDerWaalsContact CB-SG 3.58Å; Y210-C213 PolarHBondContact O-N 3.3Å | ||
| 211 | P | 42 | Very low | 40.4 | Very low | 113 Ų | 113 | 100.8 Ų | 100.8 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.2 | 179.3 | 25.6 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 212 | R | 38.5 | Very low | 39.8 | Very low | 199 Ų | 199 | 104.4 Ų | 104.4 | 75% | 0.751 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.9 | 177.2 | -68.3 | -173.3 | 163.9 | 179.4 | -6 | 114.3 | Y210 | Y210-R212 PolarHBondContact O-N 3.04Å; Y210-R212 VanDerWaalsContact O-N 3.08Å |
| 213 | C | 37.5 | Very low | 39.1 | Very low | 34 Ų | 34 | 102.7 Ų | 102.7 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | trans | -94.9 | 117.5 | 178.7 | -70 | 0 | 0 | 0 | 0 | 110.3 | Y210 | Y210-C213 VanDerWaalsContact CB-SG 3.58Å; Y210-C213 PolarHBondContact O-N 3.3Å | ||
| 214 | R | 35.8 | Very low | 38.4 | Very low | 115 Ų | 115 | 105.7 Ų | 105.7 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | trans | -81.7 | 125.9 | 166.6 | -65.1 | -175.2 | -170 | -162.3 | -7.5 | 108.4 | A105 S106 P135 | A105-R214 PolarHBondContact O-NH2 3.06Å; S106-R214 VanDerWaalsContact CA-NH2 3.31Å; P135-R214 VanDerWaalsContact CD-O 3.26Å; P135-R214 WeakPolarHBondContact CD-O 3.37Å; P135-R214 HydrophobicContact CG-CB 4.07Å | ||
| 215 | I | 40.1 | Very low | 38.2 | Very low | 52 Ų | 52 | 105.2 Ų | 105.2 | 27% | 0.267 | 52% | 0.519 | S | S | . | . | trans | -98 | 106.2 | 174.4 | -58.7 | 167.7 | 0 | 0 | 0 | 106 | V132 I203 K207 V217 | V132-I215 HydrophobicContact CG1-CG2 3.79Å; I203-I215 HydrophobicContact CG2-CD1 3.66Å; K207-I215 HydrophobicContact CB-CD1 3.97Å; K207-I215 HydrophobicContact CD-CD1 4.48Å; K207-I215 HydrophobicContact CG-CD1 4.31Å; I215-V217 HydrophobicContact CG2-CG2 4.23Å | ||
| 216 | V | 37 | Very low | 37.9 | Very low | 61 Ų | 61 | 101.7 Ų | 101.7 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.5 | 173.1 | -170.8 | 0 | 0 | 0 | 0 | 108 | V132 F133 | V132-V216 CarbonylContact C-O 3.09Å; V132-V216 VanDerWaalsContact CA-O 3.27Å; V132-V216 WeakPolarHBondContact CA-O 3.37Å; F133-V216 HydrophobicContact CB-CB 3.67Å; F133-V216 HydrophobicContact CB-CG2 4.07Å; F133-V216 HydrophobicContact CD1-CG2 4.2Å; F133-V216 PolarHBondContact N-O 3.36Å |
| 217 | V | 34.4 | Very low | 37.6 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 107.5 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 109 | R130 F131 I215 | R130-V217 HydrophobicContact CB-CG1 3.99Å; R130-V217 HydrophobicContact CG-CG1 4.48Å; F131-V217 CarbonylContact O-C 3.49Å; F131-V217 WeakPolarHBondContact O-CA 3.1Å; I215-V217 HydrophobicContact CG2-CG2 4.23Å |
| 218 | H | 35.2 | Very low | 37.2 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.7 | 173.5 | -98.4 | -75.5 | 0 | 0 | 0 | 110.5 | R130 F131 | R130-H218 CarbonylContact C-O 3.41Å; R130-H218 WeakPolarHBondContact CA-O 3.26Å; F131-H218 HydrophobicContact CB-CB 4.06Å; F131-H218 PolarHBondContact N-O 3.25Å; F131-H218 PolarHBondContact O-N 3.09Å |
| 219 | T | 30.4 | Very low | 36.6 | Very low | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 110.7 | 167.5 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | R130 | R130-T219 HydrophobicContact CG-CG2 4.1Å |
| 220 | Q | 32.6 | Very low | 36.2 | Very low | 99 Ų | 99 | 108.9 Ų | 108.9 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.7 | 164.8 | -66.5 | -168.8 | -2.2 | 0 | 0 | 108.4 | R129 F131 F222 | R129-Q220 PolarHBondContact O-N 3.22Å; F131-Q220 HydrophobicContact CD2-CB 4.42Å; F131-Q220 HydrophobicContact CD2-CG 4.22Å; F131-Q220 HydrophobicContact CE2-CB 4Å; F131-Q220 HydrophobicContact CE2-CG 4.09Å; Q220-F222 HydrophobicContact CB-CD2 4.38Å; Q220-F222 HydrophobicContact CB-CE2 3.98Å; Q220-F222 PolarHBondContact O-N 3.09Å |
| 221 | I | 29 | Very low | 35.8 | Very low | 146 Ų | 146 | 110 Ų | 110 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | trans | -81.4 | 106.5 | 169.1 | -57.9 | 171 | 0 | 0 | 0 | 105.4 | P223 | I221-P223 WeakPolarHBondContact O-CD 3.25Š| ||
| 222 | F | 33.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 121.6 | 173.3 | -78.2 | -86.8 | 0 | 0 | 0 | 108.8 | F131 Q220 | F131-F222 HydrophobicContact CE2-CE2 4.18Å; F131-F222 HydrophobicContact CZ-CE2 4.27Å; Q220-F222 HydrophobicContact CB-CD2 4.38Å; Q220-F222 HydrophobicContact CB-CE2 3.98Å; Q220-F222 PolarHBondContact O-N 3.09Å |
| 223 | P | 33.5 | Very low | 36.1 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 147.2 | 168.3 | 26.7 | -31.3 | 0 | 0 | 0 | 109.5 | I221 | I221-P223 WeakPolarHBondContact O-CD 3.25Š|
| 224 | P | 32.1 | Very low | 36 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 138.5 | 175.3 | 23.6 | -34.2 | 0 | 0 | 0 | 110.4 | W126 | W126-P224 HydrophobicContact CE3-CB 4.4Å; W126-P224 HydrophobicContact CH2-CB 3.34Å; W126-P224 HydrophobicContact CZ2-CB 3.52Å; W126-P224 HydrophobicContact CZ3-CB 3.79Å |
| 225 | P | 38.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.6 | 169.2 | 24.1 | -31.1 | 0 | 0 | 0 | 108.7 | L227 | P225-L227 PolarHBondContact O-N 2.76Š|
| 226 | P | 38.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.6 | 175.7 | 24.6 | -31.4 | 0 | 0 | 0 | 107.5 | Y228 | P226-Y228 PolarHBondContact O-N 3.15Å; P226-Y228 VanDerWaalsContact O-N 3.11Å |
| 227 | L | 37.4 | Very low | 36.5 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 90% | 0.895 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 120.5 | 164.8 | -72.2 | 172.2 | 0 | 0 | 0 | 105.9 | P225 A229 | P225-L227 PolarHBondContact O-N 2.76Å; L227-A229 PolarHBondContact O-N 3.41Å |
| 228 | Y | 36.9 | Very low | 37.2 | Very low | 206 Ų | 206 | 123.2 Ų | 123.2 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | -44.8 | 115 | 176.3 | -97.3 | -103.2 | 0 | 0 | 0 | 108.8 | P226 N230 | P226-Y228 PolarHBondContact O-N 3.15Å; P226-Y228 VanDerWaalsContact O-N 3.11Å; Y228-N230 PolarHBondContact O-N 2.93Å | ||
| 229 | A | 35.1 | Very low | 37.5 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -63.2 | 86.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | L227 N231 | L227-A229 PolarHBondContact O-N 3.41Å; A229-N231 PolarHBondContact O-N 3.39Å | ||
| 230 | N | 38.1 | Very low | 37.8 | Very low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -68.9 | 80.2 | 158.9 | -95.3 | -15.4 | 0 | 0 | 0 | 106.4 | Y228 D232 | Y228-N230 PolarHBondContact O-N 2.93Å; N230-D232 PolarHBondContact O-N 2.82Å | ||
| 231 | N | 35.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -64 | 108.3 | 141.9 | -74.7 | -19.5 | 0 | 0 | 0 | 104.8 | A229 | A229-N231 PolarHBondContact O-N 3.39Š| ||
| 232 | D | 41.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -176 | 117.7 | 144.3 | -90 | -27.3 | 0 | 0 | 0 | 110.6 | N230 | N230-D232 PolarHBondContact O-N 2.82Š| ||
| 233 | L | 45.6 | Very low | 38.9 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | 78.7 | 109.2 | 151.1 | -76.8 | 80.8 | 0 | 0 | 0 | 120.3 | ||||
| 234 | E | 34.9 | Very low | 39.4 | Very low | 199 Ų | 199 | 132.3 Ų | 132.3 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -17.2 | 121.4 | 142.6 | -63.4 | -178.4 | 97.1 | 0 | 0 | 116.1 | ||||
| 235 | A | 43.5 | Very low | 39.8 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -173.4 | 90.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 236 | S | 40 | Very low | 40 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 48.4 | 112.2 | 111.5 | -167 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 237 | S | 39.7 | Very low | 40.1 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | 68.5 | 102.1 | 136.1 | 60.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 238 | T | 49.1 | Very low | 40.2 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | 152.6 | 132.7 | 108.1 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 239 | P | 40.2 | Very low | 40.4 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -95.8 | 121.7 | 163.5 | 33.6 | -23.5 | 0 | 0 | 0 | 108.7 | ||||
| 240 | S | 38 | Very low | 40.7 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -153.5 | 139.4 | 172 | -129 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 241 | S | 42 | Very low | 40.8 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | 96.3 | 90.7 | 157 | -49.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 242 | A | 35.3 | Very low | 41.1 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | trans | -18 | 128.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 243 | L | 41.7 | Very low | 41.1 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 84% | 0.844 | S | S | * | * | trans | -125.4 | 117.2 | 153 | -89.1 | 167.7 | 0 | 0 | 0 | 108.9 | ||||
| 244 | R | 42.7 | Very low | 40.8 | Very low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 85% | 0.846 | S | S | * | * | trans | -70.1 | 139.3 | 174 | -63.5 | -169.1 | 173.4 | -160.2 | -0.3 | 109.8 | ||||
| 245 | Y | 41.7 | Very low | 41.2 | Very low | 235 Ų | 235 | 142 Ų | 142 | 92% | 0.922 | 84% | 0.841 | S | S | * | * | trans | -127.9 | 107.8 | 151.2 | -104.1 | -90.2 | 0 | 0 | 0 | 108.7 | ||||
| 246 | S | 41.2 | Very low | 41 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -85.5 | 134.8 | 166.7 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 247 | G | 41.4 | Very low | 41.1 | Very low | 58 Ų | 58 | 148.4 Ų | 148.4 | 60% | 0.598 | 85% | 0.853 | S | S | * | * | trans | -178.9 | 111 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 248 | Y | 40.1 | Very low | 41.2 | Very low | 238 Ų | 238 | 153 Ų | 153 | 93% | 0.933 | 87% | 0.87 | S | S | * | * | trans | 98.2 | 108.6 | 162.5 | -63 | -83.8 | 0 | 0 | 0 | 117.1 | ||||
| 249 | C | 41.3 | Very low | 40.5 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 100% | 1.392 | 88% | 0.876 | S | S | * | * | trans | -53.7 | 0 | 166.9 | -55.6 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 249 of 249 residues in 133.3 ms
(Link to these results)