| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 23.6 | Very low | 25.1 | Very low | 251 Ų | 251 | 152.4 Ų | 152.4 | 100% | 1.236 | 72% | 0.718 | S | S | * | * | 0 | 106.8 | 0 | -125.3 | 178.3 | -176.8 | 0 | 0 | 106.9 | |||||
| 2 | M | 21.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | -96.5 | 118.1 | -179.7 | -155.7 | 160.8 | 114.6 | 0 | 0 | 106.8 | D4 | M2-D4 PolarHBondContact O-N 3.49Š| ||
| 3 | L | 23 | Very low | 25.3 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | -72.4 | 112.2 | 179.2 | -90.1 | 147.5 | 0 | 0 | 0 | 108.7 | F5 | L3-F5 HydrophobicContact CB-CD2 4.01Å; L3-F5 HydrophobicContact CB-CE2 3.5Å; L3-F5 HydrophobicContact CB-CZ 3.86Å; L3-F5 HydrophobicContact CD1-CZ 4.15Å; L3-F5 HydrophobicContact CG-CZ 4.44Å; L3-F5 VanDerWaalsContact O-CD2 3.29Å; L3-F5 WeakPolarHBondContact O-CD2 3.47Å; L3-F5 PolarHBondContact O-N 3.04Å | ||
| 4 | D | 25.2 | Very low | 25.6 | Very low | 80 Ų | 80 | 152.9 Ų | 152.9 | 43% | 0.428 | 72% | 0.718 | S | S | . | * | trans | -81.2 | 89.8 | 170.8 | -169.9 | 1.8 | 0 | 0 | 0 | 109.2 | M2 R6 R7 | M2-D4 PolarHBondContact O-N 3.49Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 VanDerWaalsContact O-N 3.16Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 PolarHBondContact OD1-N 2.91Å; D4-R6 VanDerWaalsContact OD1-N 3.17Å; D4-R7 PolarHBondContact O-N 3.26Å; D4-R7 WeakPolarHBondContact OD2-CD 3.49Å | ||
| 5 | F | 27.3 | Very low | 25.7 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -7.8 | 177.7 | -69.4 | -84.7 | 0 | 0 | 0 | 113.1 | L3 R7 | L3-F5 HydrophobicContact CB-CD2 4.01Å; L3-F5 HydrophobicContact CB-CE2 3.5Å; L3-F5 HydrophobicContact CB-CZ 3.86Å; L3-F5 HydrophobicContact CD1-CZ 4.15Å; L3-F5 HydrophobicContact CG-CZ 4.44Å; L3-F5 VanDerWaalsContact O-CD2 3.29Å; L3-F5 WeakPolarHBondContact O-CD2 3.47Å; L3-F5 PolarHBondContact O-N 3.04Å; F5-R7 VanDerWaalsContact C-N 3.31Å |
| 6 | R | 26.7 | Very low | 25.7 | Very low | 232 Ų | 232 | 146.5 Ų | 146.5 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.3 | 177.8 | -57.2 | -177.7 | -179.9 | 179 | -0.5 | 113.3 | D4 | D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 VanDerWaalsContact O-N 3.16Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 PolarHBondContact OD1-N 2.91Å; D4-R6 VanDerWaalsContact OD1-N 3.17Å |
| 7 | R | 25.3 | Very low | 25.7 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -119.6 | 5 | -176 | -78.8 | -174.1 | 164.5 | -176.1 | -2.6 | 114.4 | D4 F5 P9 | D4-R7 PolarHBondContact O-N 3.26Å; D4-R7 WeakPolarHBondContact OD2-CD 3.49Å; F5-R7 VanDerWaalsContact C-N 3.31Å; R7-P9 WeakPolarHBondContact O-CD 3.32Å |
| 8 | T | 26.4 | Very low | 25.7 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 42% | 0.417 | 73% | 0.728 | S | S | . | * | trans | -95.9 | 96.6 | 175.8 | -27.4 | 0 | 0 | 0 | 0 | 108.4 | C10 | T8-C10 PolarHBondContact O-N 3.07Š| ||
| 9 | P | 24.8 | Very low | 25.8 | Very low | 66 Ų | 66 | 148.7 Ų | 148.7 | 43% | 0.429 | 73% | 0.726 | S | S | . | * | trans | -56.7 | 136.6 | 166.3 | 25.3 | -31.6 | 0 | 0 | 0 | 107.1 | R7 Y11 D12 | R7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-Y11 HydrophobicContact CB-CD2 4.29Å; P9-Y11 PolarHBondContact O-N 3.01Å; P9-D12 PolarHBondContact O-N 2.91Å | ||
| 10 | C | 26.8 | Very low | 25.7 | Very low | 107 Ų | 107 | 150 Ų | 150 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 3.9 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | T8 | T8-C10 PolarHBondContact O-N 3.07Š|
| 11 | Y | 25.8 | Very low | 25.6 | Very low | 215 Ų | 215 | 148.3 Ų | 148.3 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -7.9 | -172.6 | -70.7 | -82.4 | 0 | 0 | 0 | 114.7 | P9 | P9-Y11 HydrophobicContact CB-CD2 4.29Å; P9-Y11 PolarHBondContact O-N 3.01Å |
| 12 | D | 26.6 | Very low | 25.5 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -103.5 | 5.8 | -177.8 | -88.7 | -28 | 0 | 0 | 0 | 115.1 | P9 | P9-D12 PolarHBondContact O-N 2.91Š|
| 13 | L | 26.4 | Very low | 25.6 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -109.7 | 92.8 | 174.2 | -73.4 | 162.4 | 0 | 0 | 0 | 109.3 | ||
| 14 | W | 28.9 | Very low | 25.6 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | trans | 108.9 | 79.7 | 170.1 | -68.9 | -68.6 | 0 | 0 | 0 | 118.6 | T16 | W14-T16 PolarHBondContact O-N 3Š| ||
| 15 | S | 27.2 | Very low | 25.5 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | 9.4 | 97.7 | 118.1 | 166.7 | 0 | 0 | 0 | 0 | 116.9 | Q17 | S15-Q17 PolarHBondContact O-N 2.81Š| |||
| 16 | T | 24.9 | Very low | 25.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 13.5 | 92.4 | 142.8 | 58.6 | 0 | 0 | 0 | 0 | 117.3 | W14 | W14-T16 PolarHBondContact O-N 3Š| ||
| 17 | Q | 27.2 | Very low | 24.9 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -129.6 | 96.9 | 150.4 | -135.3 | 178.7 | 14.3 | 0 | 0 | 107.4 | S15 S19 | S15-Q17 PolarHBondContact O-N 2.81Å; Q17-S19 PolarHBondContact O-N 3.21Å; Q17-S19 VanDerWaalsContact O-N 3.11Å | ||
| 18 | K | 25.2 | Very low | 24.8 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -63.4 | 108.4 | 168.2 | -82.9 | -174 | 171 | -166.5 | 0 | 107.1 | ||||
| 19 | S | 26.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -108 | 89.3 | 164.9 | 169.1 | 0 | 0 | 0 | 0 | 106.1 | Q17 V21 | Q17-S19 PolarHBondContact O-N 3.21Å; Q17-S19 VanDerWaalsContact O-N 3.11Å; S19-V21 PolarHBondContact O-N 3.33Å | ||
| 20 | E | 23.7 | Very low | 24.5 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 103.5 | 166.6 | -77.6 | 169.8 | -175 | 0 | 0 | 107.3 | ||||
| 21 | V | 24.4 | Very low | 24.4 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | trans | -104.7 | 105.7 | 164 | -176.9 | 0 | 0 | 0 | 0 | 105.5 | S19 D23 | S19-V21 PolarHBondContact O-N 3.33Å; V21-D23 PolarHBondContact O-N 3.16Å | ||
| 22 | S | 22.3 | Very low | 24.3 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -78.5 | 109.7 | 171.5 | 66.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | D | 24.1 | Very low | 24.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -121.3 | 132.9 | 151.9 | -100.6 | -37.3 | 0 | 0 | 0 | 107.6 | V21 N25 | V21-D23 PolarHBondContact O-N 3.16Å; D23-N25 PolarHBondContact O-N 3.2Å | ||
| 24 | E | 22.7 | Very low | 24.2 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -61.4 | 118.9 | -174.4 | -62.9 | 175.5 | 162.7 | 0 | 0 | 109.2 | ||
| 25 | N | 22.2 | Very low | 24 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 88.8 | 104.6 | -176.3 | -50.8 | -45.9 | 0 | 0 | 0 | 115.1 | D23 | D23-N25 PolarHBondContact O-N 3.2Š|
| 26 | V | 22 | Very low | 24 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | trans | 88.2 | 92.1 | 168.4 | -157.3 | 0 | 0 | 0 | 0 | 115.5 | Y28 | V26-Y28 HydrophobicContact CB-CD2 4.2Å; V26-Y28 HydrophobicContact CB-CE2 4.12Å; V26-Y28 HydrophobicContact CG1-CD2 3.45Å; V26-Y28 VanDerWaalsContact CG1-CD2 3.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.25Å; V26-Y28 HydrophobicContact CG1-CG 4.39Å; V26-Y28 PolarHBondContact O-N 2.97Å | ||
| 27 | S | 19.8 | Very low | 24.1 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -71.3 | 87.6 | 165.8 | 31.4 | 0 | 0 | 0 | 0 | 110.9 | V29 | S27-V29 PolarHBondContact O-N 2.85Š| ||
| 28 | Y | 22.4 | Very low | 24.1 | Very low | 202 Ų | 202 | 119.2 Ų | 119.2 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -76.6 | 109.7 | 165.6 | -84.5 | -84.2 | 0 | 0 | 0 | 110 | V26 G30 | V26-Y28 HydrophobicContact CB-CD2 4.2Å; V26-Y28 HydrophobicContact CB-CE2 4.12Å; V26-Y28 HydrophobicContact CG1-CD2 3.45Å; V26-Y28 VanDerWaalsContact CG1-CD2 3.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.25Å; V26-Y28 HydrophobicContact CG1-CG 4.39Å; V26-Y28 PolarHBondContact O-N 2.97Å; Y28-G30 PolarHBondContact O-N 2.99Å | ||
| 29 | V | 21.8 | Very low | 24.2 | Very low | 155 Ų | 155 | 112.5 Ų | 112.5 | 94% | 0.939 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 67.3 | 158.6 | -173.5 | 0 | 0 | 0 | 0 | 106.9 | S27 | S27-V29 PolarHBondContact O-N 2.85Š| ||
| 30 | G | 23.9 | Very low | 24.3 | Very low | 51 Ų | 51 | 112.8 Ų | 112.8 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | trans | -100.8 | 132.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y28 A32 | Y28-G30 PolarHBondContact O-N 2.99Å; G30-A32 PolarHBondContact O-N 3.15Å | ||
| 31 | C | 24.9 | Very low | 24.6 | Very low | 88 Ų | 88 | 108.2 Ų | 108.2 | 60% | 0.595 | 65% | 0.653 | S | S | * | * | trans | -49.7 | 101 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | G33 Y34 | C31-G33 PolarHBondContact O-N 3.2Å; C31-Y34 HydrophobicContact CB-CD2 3.28Å; C31-Y34 HydrophobicContact CB-CE2 3.77Å; C31-Y34 HydrophobicContact CB-CG 4.08Å; C31-Y34 PolarHBondContact O-N 3.04Å | ||
| 32 | A | 22.6 | Very low | 24.9 | Very low | 113 Ų | 113 | 106 Ų | 106 | 93% | 0.934 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 103.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G30 | G30-A32 PolarHBondContact O-N 3.15Š|
| 33 | G | 24.5 | Very low | 25.4 | Very low | 79 Ų | 79 | 104.6 Ų | 104.6 | 81% | 0.814 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.7 | -2.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | C31 I35 | C31-G33 PolarHBondContact O-N 3.2Å; G33-I35 PolarHBondContact O-N 3.48Å |
| 34 | Y | 26 | Very low | 25.9 | Very low | 119 Ų | 119 | 101.2 Ų | 101.2 | 47% | 0.467 | 60% | 0.601 | S | S | . | * | trans | -68.1 | 118.1 | 173.4 | -112.6 | -115.3 | 0 | 0 | 0 | 110.9 | C31 P36 C39 | C31-Y34 HydrophobicContact CB-CD2 3.28Å; C31-Y34 HydrophobicContact CB-CE2 3.77Å; C31-Y34 HydrophobicContact CB-CG 4.08Å; C31-Y34 PolarHBondContact O-N 3.04Å; Y34-P36 VanDerWaalsContact O-CD 3.27Å; Y34-P36 WeakPolarHBondContact O-CD 3.45Å; Y34-C39 HydrophobicContact CE1-CB 3.87Å | ||
| 35 | I | 26.5 | Very low | 26.3 | Very low | 67 Ų | 67 | 92.9 Ų | 92.9 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | trans | -82.1 | 104.1 | 146.6 | -63.5 | 172.8 | 0 | 0 | 0 | 104.4 | G33 S37 L38 | G33-I35 PolarHBondContact O-N 3.48Å; I35-S37 WeakPolarHBondContact CG2-OG 3.36Å; I35-S37 PolarHBondContact O-N 3.43Å; I35-L38 HydrophobicContact CB-CD1 4.22Å; I35-L38 HydrophobicContact CD1-CD1 3.95Å; I35-L38 HydrophobicContact CG2-CB 4.44Å; I35-L38 HydrophobicContact CG2-CD1 3.91Å; I35-L38 HydrophobicContact CG2-CG 4.31Å; I35-L38 PolarHBondContact O-N 3.3Å | ||
| 36 | P | 26.4 | Very low | 26.7 | Very low | 93 Ų | 93 | 90.4 Ų | 90.4 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.3 | -18.1 | -174.7 | -20.9 | 34.1 | 0 | 0 | 0 | 113.2 | Y34 | Y34-P36 VanDerWaalsContact O-CD 3.27Å; Y34-P36 WeakPolarHBondContact O-CD 3.45Å |
| 37 | S | 26 | Very low | 27.1 | Very low | 77 Ų | 77 | 90.3 Ų | 90.3 | 54% | 0.538 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.7 | -8.7 | -177.6 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | I35 | I35-S37 WeakPolarHBondContact CG2-OG 3.36Å; I35-S37 PolarHBondContact O-N 3.43Å |
| 38 | L | 26.9 | Very low | 27.7 | Very low | 59 Ų | 59 | 91.7 Ų | 91.7 | 31% | 0.309 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -109.9 | -16 | -173.8 | -84.1 | 160.9 | 0 | 0 | 0 | 114.6 | I35 L42 I178 | I35-L38 HydrophobicContact CB-CD1 4.22Å; I35-L38 HydrophobicContact CD1-CD1 3.95Å; I35-L38 HydrophobicContact CG2-CB 4.44Å; I35-L38 HydrophobicContact CG2-CD1 3.91Å; I35-L38 HydrophobicContact CG2-CG 4.31Å; I35-L38 PolarHBondContact O-N 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-I178 HydrophobicContact CD1-CD1 4.18Å |
| 39 | C | 27.9 | Very low | 28 | Very low | 53 Ų | 53 | 87 Ų | 87 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -97.9 | -31.5 | -177 | -71.4 | 0 | 0 | 0 | 0 | 112.8 | Y34 L43 | Y34-C39 HydrophobicContact CE1-CB 3.87Å; C39-L43 WeakPolarHBondContact O-CB 3.16Å; C39-L43 PolarHBondContact O-N 3.4Å |
| 40 | D | 30.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 83.4 Ų | 83.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.8 | -43.8 | -178.4 | -68.6 | -20.7 | 0 | 0 | 0 | 113.2 | L42 D44 | D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.29Å; D40-D44 WeakPolarHBondContact O-CB 3.38Å; D40-D44 PolarHBondContact O-N 3.31Å |
| 41 | P | 29.3 | Very low | 28.2 | Very low | 79 Ų | 79 | 87.9 Ų | 87.9 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.6 | -29.8 | 179 | -16.3 | 30.4 | 0 | 0 | 0 | 112.9 | A45 | P41-A45 WeakPolarHBondContact O-CA 3.46Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.13Å |
| 42 | L | 31 | Very low | 28.2 | Very low | 69 Ų | 69 | 88.1 Ų | 88.1 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.6 | -39.8 | -178.6 | -117.7 | 149 | 0 | 0 | 0 | 111.2 | L38 D40 L46 | L38-L42 WeakPolarHBondContact O-CB 3.18Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD2-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 VanDerWaalsContact O-CD1 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 2.96Å |
| 43 | L | 33.2 | Very low | 28.3 | Very low | 86 Ų | 86 | 88 Ų | 88 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 173.6 | -158 | 75.6 | 0 | 0 | 0 | 110.9 | C39 L46 N47 | C39-L43 WeakPolarHBondContact O-CB 3.16Å; C39-L43 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 3.01Å; L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-N 2.68Å; L43-N47 PolarHBondContact O-ND2 2.83Å |
| 44 | D | 33.3 | Very low | 28.3 | Very low | 70 Ų | 70 | 90.5 Ų | 90.5 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 174.3 | -165.7 | 41.3 | 0 | 0 | 0 | 111.9 | D40 N47 K48 | D40-D44 WeakPolarHBondContact O-CB 3.38Å; D40-D44 PolarHBondContact O-N 3.31Å; D44-N47 PolarHBondContact O-N 3.35Å; D44-K48 VanDerWaalsContact O-CB 3.22Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CD 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-K48 WeakPolarHBondContact OD1-CE 3.23Å; D44-K48 IonicContact OD1-NZ 3.67Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.36Å; D44-K48 IonicContact OD2-NZ 2.65Å; D44-K48 PolarHBondContact OD2-NZ 3.34Å |
| 45 | A | 30.6 | Very low | 28.1 | Very low | 10 Ų | 10 | 88.5 Ų | 88.5 | 8% | 0.083 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P41 K48 L49 L188 | P41-A45 WeakPolarHBondContact O-CA 3.46Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.13Å; A45-K48 PolarHBondContact O-N 3.35Å; A45-L49 WeakPolarHBondContact O-CB 3.49Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.19Å; A45-L49 PolarHBondContact O-N 2.97Å; A45-L188 HydrophobicContact CB-CD1 3.77Å; A45-L188 HydrophobicContact CB-CD2 3.93Å; A45-L188 HydrophobicContact CB-CG 4.4Å |
| 46 | L | 31.7 | Very low | 28.1 | Very low | 98 Ų | 98 | 91.1 Ų | 91.1 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.5 | -33.7 | 175.4 | -72.7 | 166.6 | 0 | 0 | 0 | 111.9 | L42 L43 S50 | L42-L46 HydrophobicContact CD2-CD1 4.17Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 VanDerWaalsContact O-CD1 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.34Å; L42-L46 WeakPolarHBondContact O-CG 3.27Å; L42-L46 PolarHBondContact O-N 2.96Å; L43-L46 PolarHBondContact O-N 3.01Å; L46-S50 PolarHBondContact O-N 3.03Å |
| 47 | N | 30.4 | Very low | 28 | Very low | 105 Ų | 105 | 93.7 Ų | 93.7 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.3 | -29.5 | 172.6 | -75.8 | -22.3 | 0 | 0 | 0 | 112.7 | L43 D44 S50 | L43-N47 WeakPolarHBondContact O-CB 3.29Å; L43-N47 PolarHBondContact O-N 2.68Å; L43-N47 PolarHBondContact O-ND2 2.83Å; D44-N47 PolarHBondContact O-N 3.35Å; N47-S50 WeakPolarHBondContact O-CB 3.29Å |
| 48 | K | 32.6 | Very low | 28 | Very low | 149 Ų | 149 | 100.9 Ų | 100.9 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.7 | -25.4 | 174.2 | -72.7 | 169 | 177.1 | 170.5 | 0 | 113.2 | D44 A45 S50 | D44-K48 VanDerWaalsContact O-CB 3.22Å; D44-K48 WeakPolarHBondContact O-CB 3.45Å; D44-K48 WeakPolarHBondContact O-CD 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.87Å; D44-K48 WeakPolarHBondContact OD1-CE 3.23Å; D44-K48 IonicContact OD1-NZ 3.67Å; D44-K48 VanDerWaalsContact OD2-CE 3.24Å; D44-K48 WeakPolarHBondContact OD2-CE 3.36Å; D44-K48 IonicContact OD2-NZ 2.65Å; D44-K48 PolarHBondContact OD2-NZ 3.34Å; A45-K48 PolarHBondContact O-N 3.35Å; K48-S50 VanDerWaalsContact C-N 3.33Å |
| 49 | L | 27.7 | Very low | 28 | Very low | 104 Ų | 104 | 105.9 Ų | 105.9 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -82.3 | -11.2 | 169.1 | -78.8 | 160.5 | 0 | 0 | 0 | 112.8 | A45 I51 L188 I192 | A45-L49 WeakPolarHBondContact O-CB 3.49Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.19Å; A45-L49 PolarHBondContact O-N 2.97Å; L49-I51 PolarHBondContact O-N 2.99Å; L49-L188 HydrophobicContact CD1-CD2 4.24Å; L49-I192 HydrophobicContact CD1-CD1 4.22Å |
| 50 | S | 25.9 | Very low | 27.7 | Very low | 79 Ų | 79 | 109.4 Ų | 109.4 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -67.6 | 86.8 | 162.2 | 156.1 | 0 | 0 | 0 | 0 | 108.2 | L46 N47 K48 S52 | L46-S50 PolarHBondContact O-N 3.03Å; N47-S50 WeakPolarHBondContact O-CB 3.29Å; K48-S50 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact O-N 2.87Å; S50-S52 VanDerWaalsContact O-N 3.13Å |
| 51 | I | 25.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 107.2 Ų | 107.2 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -26 | 113.6 | 164.3 | -60.2 | 161.8 | 0 | 0 | 0 | 109.5 | L49 | L49-I51 PolarHBondContact O-N 2.99Š| ||
| 52 | S | 23.8 | Very low | 27.1 | Very low | 93 Ų | 93 | 110.7 Ų | 110.7 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | trans | -38 | 128 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | S50 V54 | S50-S52 PolarHBondContact O-N 2.87Å; S50-S52 VanDerWaalsContact O-N 3.13Å; S52-V54 PolarHBondContact O-N 2.93Å | ||
| 53 | P | 23.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | trans | -60.3 | 109.7 | 168.6 | 25.9 | -29.4 | 0 | 0 | 0 | 105.4 | S55 | P53-S55 PolarHBondContact O-N 3.07Š| ||
| 54 | V | 24.5 | Very low | 26.4 | Very low | 130 Ų | 130 | 115.6 Ų | 115.6 | 79% | 0.788 | 65% | 0.651 | S | S | * | * | trans | -45.8 | 115.9 | 161.3 | 174.6 | 0 | 0 | 0 | 0 | 105.1 | S52 | S52-V54 PolarHBondContact O-N 2.93Š| ||
| 55 | S | 23.6 | Very low | 25.9 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | trans | -34.1 | 128.9 | -179.1 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | P53 D57 | P53-S55 PolarHBondContact O-N 3.07Å; S55-D57 PolarHBondContact O-N 2.1Å | ||
| 56 | P | 25.4 | Very low | 25.6 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.3 | 6.3 | -174.7 | 25.9 | -31.8 | 0 | 0 | 0 | 114.8 | R58 | P56-R58 PolarHBondContact O-N 3.47Š|
| 57 | D | 25.4 | Very low | 25.3 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -89.7 | 9.2 | -171.5 | -73.2 | -25.4 | 0 | 0 | 0 | 116 | S55 | S55-D57 PolarHBondContact O-N 2.1Š|
| 58 | R | 25.2 | Very low | 24.9 | Very low | 227 Ų | 227 | 123.2 Ų | 123.2 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -136 | 13.3 | -176.7 | -80.5 | -161.9 | 166.3 | -167.1 | -3.3 | 118.7 | P56 | P56-R58 PolarHBondContact O-N 3.47Š|
| 59 | L | 26 | Very low | 24.5 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -122.5 | 66.6 | 166 | -71.9 | 166.4 | 0 | 0 | 0 | 109.6 | G61 | L59-G61 PolarHBondContact O-N 2.89Š| ||
| 60 | S | 23.2 | Very low | 24.4 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | -66.3 | 117.5 | 154.3 | 66.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 61 | G | 22.6 | Very low | 24.2 | Very low | 56 Ų | 56 | 127.9 Ų | 127.9 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 134.9 | 104.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L59 | L59-G61 PolarHBondContact O-N 2.89Š|
| 62 | I | 24.7 | Very low | 24.2 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | 81.5 | 92.4 | 154.8 | -43 | 162.5 | 0 | 0 | 0 | 112.3 | ||||
| 63 | G | 23.6 | Very low | 24.1 | Very low | 61 Ų | 61 | 126.9 Ų | 126.9 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | trans | -59.4 | 138.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 64 | Y | 24.4 | Very low | 24.1 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -108.6 | 121.9 | 161.3 | -67.5 | -83.5 | 0 | 0 | 0 | 106.8 | D68 | Y64-D68 VanDerWaalsContact CA-OD2 3.29Å; Y64-D68 WeakPolarHBondContact CA-OD2 3.21Å | ||
| 65 | H | 23.9 | Very low | 24 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | trans | -89.9 | 146.4 | -177.2 | -74.8 | -79.8 | 0 | 0 | 0 | 109.7 | G67 D68 | H65-G67 PolarHBondContact O-N 3.5Å; H65-D68 PolarHBondContact N-OD2 3.21Å; H65-D68 PolarHBondContact O-N 2.67Å | ||
| 66 | T | 24.2 | Very low | 23.9 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 101 | 169.2 | -34.9 | 0 | 0 | 0 | 0 | 108.7 | W232 | T66-W232 HydrophobicContact CG2-CZ3 4.17Š|
| 67 | G | 24.2 | Very low | 23.9 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.5 | -14.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H65 N69 | H65-G67 PolarHBondContact O-N 3.5Å; G67-N69 PolarHBondContact O-N 2.95Å |
| 68 | D | 23.4 | Very low | 23.7 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 44% | 0.444 | 73% | 0.731 | S | S | . | * | trans | -70.4 | 118.3 | 176.9 | -68.4 | -29.1 | 0 | 0 | 0 | 111.1 | Y64 H65 I70 | Y64-D68 VanDerWaalsContact CA-OD2 3.29Å; Y64-D68 WeakPolarHBondContact CA-OD2 3.21Å; H65-D68 PolarHBondContact N-OD2 3.21Å; H65-D68 PolarHBondContact O-N 2.67Å; D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 2.89Å | ||
| 69 | N | 23.6 | Very low | 23.7 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -63.2 | 87.4 | 175.8 | -98.2 | -25.8 | 0 | 0 | 0 | 110.2 | G67 T71 | G67-N69 PolarHBondContact O-N 2.95Å; N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 3.09Å | ||
| 70 | I | 25.4 | Very low | 23.6 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -77.8 | 90.9 | 168.7 | -51.5 | 176.3 | 0 | 0 | 0 | 107.3 | D68 P72 | D68-I70 VanDerWaalsContact C-N 3.33Å; D68-I70 PolarHBondContact O-N 2.89Å; I70-P72 WeakPolarHBondContact O-CD 3.44Å | ||
| 71 | T | 22.1 | Very low | 23.7 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | trans | -61.3 | 114.8 | 166 | 9.2 | 0 | 0 | 0 | 0 | 109 | N69 V73 | N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 3.09Å; T71-V73 PolarHBondContact O-N 3.38Å; T71-V73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | P | 24.4 | Very low | 23.8 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | trans | -68 | 113.4 | 170 | 27 | -30.2 | 0 | 0 | 0 | 108 | I70 V74 | I70-P72 WeakPolarHBondContact O-CD 3.44Å; P72-V74 VanDerWaalsContact C-N 3.25Å; P72-V74 HydrophobicContact CB-CG2 4.39Å; P72-V74 PolarHBondContact O-N 3.47Å | ||
| 73 | V | 22.5 | Very low | 23.6 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -68.6 | 88.1 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | T71 R75 | T71-V73 PolarHBondContact O-N 3.38Å; T71-V73 VanDerWaalsContact O-N 3.09Å; V73-R75 HydrophobicContact CG1-CG 4.24Å; V73-R75 PolarHBondContact O-N 2.94Å | ||
| 74 | V | 24.2 | Very low | 23.7 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -81 | 100.8 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | P72 N76 | P72-V74 VanDerWaalsContact C-N 3.25Å; P72-V74 HydrophobicContact CB-CG2 4.39Å; P72-V74 PolarHBondContact O-N 3.47Å; V74-N76 PolarHBondContact O-N 2.71Å | ||
| 75 | R | 21.8 | Very low | 23.6 | Very low | 221 Ų | 221 | 140.5 Ų | 140.5 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | -70.8 | 116.4 | 172 | -68.1 | -174.6 | -175.4 | 179 | 1.8 | 108.6 | V73 | V73-R75 HydrophobicContact CG1-CG 4.24Å; V73-R75 PolarHBondContact O-N 2.94Å | ||
| 76 | N | 22.2 | Very low | 23.5 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | trans | -67.8 | 127.5 | 173.1 | -166.5 | 19.8 | 0 | 0 | 0 | 109.4 | V74 D78 | V74-N76 PolarHBondContact O-N 2.71Å; N76-D78 PolarHBondContact O-N 2.87Å | ||
| 77 | P | 24.2 | Very low | 23.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -69.9 | -13.2 | 175.9 | -16.4 | 30.4 | 0 | 0 | 0 | 114 | ||
| 78 | D | 22.5 | Very low | 23.6 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -120.8 | 54.6 | -166.4 | -68.2 | -38.4 | 0 | 0 | 0 | 114.3 | N76 | N76-D78 PolarHBondContact O-N 2.87Š| ||
| 79 | S | 25 | Very low | 23.6 | Very low | 73 Ų | 73 | 149 Ų | 149 | 51% | 0.51 | 77% | 0.773 | S | S | . | * | trans | -137.4 | 110.4 | 163 | 67 | 0 | 0 | 0 | 0 | 111.9 | T81 | S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 3.4Å; S79-T81 PolarHBondContact O-OG1 2.91Å; S79-T81 PolarHBondContact OG-OG1 3.26Å | ||
| 80 | H | 24.1 | Very low | 23.6 | Very low | 204 Ų | 204 | 147 Ų | 147 | 94% | 0.944 | 77% | 0.766 | S | S | * | * | trans | -45 | 91.1 | 162.5 | -63 | -86.9 | 0 | 0 | 0 | 111.3 | ||||
| 81 | T | 25.2 | Very low | 23.5 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -141.2 | 105.6 | 173.3 | 18.3 | 0 | 0 | 0 | 0 | 110.6 | S79 | S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 3.4Å; S79-T81 PolarHBondContact O-OG1 2.91Å; S79-T81 PolarHBondContact OG-OG1 3.26Å | ||
| 82 | R | 23.8 | Very low | 23.6 | Very low | 243 Ų | 243 | 149.6 Ų | 149.6 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -24.1 | 121.9 | 172 | -68.3 | 171 | -177 | 178.4 | 0.3 | 114.8 | P84 | R82-P84 WeakPolarHBondContact O-CD 3.35Š| ||
| 83 | Y | 21.7 | Very low | 23.6 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.1 | 160.7 | -68.5 | -89.9 | 0 | 0 | 0 | 110.9 | ||
| 84 | P | 24 | Very low | 23.7 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 134.4 | 153.4 | 5.1 | 14.1 | 0 | 0 | 0 | 109.1 | R82 | R82-P84 WeakPolarHBondContact O-CD 3.35Š|
| 85 | K | 22.5 | Very low | 23.8 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57 | 144.6 | 179.7 | -76.3 | 173.3 | 168.2 | -179.3 | 0 | 113.4 | ||
| 86 | E | 23.4 | Very low | 24 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 50.7 | 97.4 | 138.8 | -61.3 | 175.6 | -152.7 | 0 | 0 | 118 | ||||
| 87 | S | 25.3 | Very low | 24.2 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -148.3 | 125.4 | 139.4 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 88 | K | 23.7 | Very low | 24.1 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 160.1 | -174.8 | -67.8 | 166.1 | 171.3 | 173.5 | 0 | 113.7 | ||||
| 89 | S | 23.5 | Very low | 24.2 | Very low | 115 Ų | 115 | 155 Ų | 155 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 81.8 | 120.5 | 161.8 | -158.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 90 | T | 23.9 | Very low | 24.2 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | cis | -139.6 | 137 | 38.8 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | L92 | T90-L92 PolarHBondContact O-N 3.3Š| ||
| 91 | H | 23.6 | Very low | 24.2 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -47 | 116 | 164 | -93.7 | -105.6 | 0 | 0 | 0 | 111.1 | D93 | H91-D93 IonicContact CE1-OD1 3.84Å; H91-D93 IonicContact CG-OD1 3.97Å; H91-D93 IonicContact ND1-OD1 2.95Å; H91-D93 PolarHBondContact ND1-OD1 2.93Å | ||
| 92 | L | 23.7 | Very low | 24 | Very low | 153 Ų | 153 | 156 Ų | 156 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 96.9 | 148.1 | -96.4 | 159.4 | 0 | 0 | 0 | 105 | T90 F94 | T90-L92 PolarHBondContact O-N 3.3Å; L92-F94 PolarHBondContact O-N 3.48Å; L92-F94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | D | 23.8 | Very low | 24 | Very low | 100 Ų | 100 | 148 Ų | 148 | 54% | 0.535 | 78% | 0.779 | S | S | . | * | trans | -54.9 | 111.9 | 176.1 | -72.3 | -27.4 | 0 | 0 | 0 | 109.1 | H91 D95 A96 | H91-D93 IonicContact CE1-OD1 3.84Å; H91-D93 IonicContact CG-OD1 3.97Å; H91-D93 IonicContact ND1-OD1 2.95Å; H91-D93 PolarHBondContact ND1-OD1 2.93Å; D93-D95 HydrophobicContact CB-CB 4.39Å; D93-D95 PolarHBondContact O-N 2.84Å; D93-A96 PolarHBondContact O-N 3.4Å | ||
| 94 | F | 25.8 | Very low | 24.1 | Very low | 210 Ų | 210 | 142.8 Ų | 142.8 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 7.7 | 166.2 | -91.5 | -90.8 | 0 | 0 | 0 | 112.5 | L92 | L92-F94 PolarHBondContact O-N 3.48Å; L92-F94 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 25.7 | Very low | 24.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -3.7 | 173.6 | -73.3 | -35.6 | 0 | 0 | 0 | 113.9 | D93 | D93-D95 HydrophobicContact CB-CB 4.39Å; D93-D95 PolarHBondContact O-N 2.84Å |
| 96 | A | 25.7 | Very low | 24.2 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -90 | 4.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116 | D93 | D93-A96 PolarHBondContact O-N 3.4Š|
| 97 | V | 26.3 | Very low | 24.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -115.8 | 53.3 | 166.7 | -169 | 0 | 0 | 0 | 0 | 109.2 | L99 | V97-L99 HydrophobicContact CG1-CD1 4Å; V97-L99 HydrophobicContact CG1-CD2 4.4Å; V97-L99 HydrophobicContact CG1-CG 3.64Å; V97-L99 PolarHBondContact O-N 3.39Å | ||
| 98 | R | 23.9 | Very low | 24.3 | Very low | 225 Ų | 225 | 134.7 Ų | 134.7 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | trans | -63.9 | 83.4 | 145 | -75.7 | -173.9 | 171.6 | -165.7 | -1.4 | 106.5 | N100 | R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.3Å | ||
| 99 | L | 24.6 | Very low | 24.3 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -57.3 | 103.4 | 162.1 | -80.9 | 162.4 | 0 | 0 | 0 | 105.6 | V97 P101 | V97-L99 HydrophobicContact CG1-CD1 4Å; V97-L99 HydrophobicContact CG1-CD2 4.4Å; V97-L99 HydrophobicContact CG1-CG 3.64Å; V97-L99 PolarHBondContact O-N 3.39Å; L99-P101 VanDerWaalsContact O-CD 3.28Å; L99-P101 WeakPolarHBondContact O-CD 3.24Å; L99-P101 VanDerWaalsContact O-N 3.1Å | ||
| 100 | N | 23.1 | Very low | 24.4 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | -49.3 | 115.4 | -177.1 | -141 | 9.4 | 0 | 0 | 0 | 108 | R98 F102 | R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.3Å; N100-F102 PolarHBondContact ND2-O 3.02Å; N100-F102 PolarHBondContact O-N 2.91Å | ||
| 101 | P | 24.5 | Very low | 24.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -68.1 | -0.5 | 177.8 | -11.7 | 25.2 | 0 | 0 | 0 | 112.6 | L99 | L99-P101 VanDerWaalsContact O-CD 3.28Å; L99-P101 WeakPolarHBondContact O-CD 3.24Å; L99-P101 VanDerWaalsContact O-N 3.1Å |
| 102 | F | 21.7 | Very low | 24.5 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -140.2 | 95 | -171.2 | -63.1 | -81.3 | 0 | 0 | 0 | 109.1 | N100 | N100-F102 PolarHBondContact ND2-O 3.02Å; N100-F102 PolarHBondContact O-N 2.91Å |
| 103 | G | 22.9 | Very low | 24.5 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | trans | -173.7 | 0.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 104 | V | 25.1 | Very low | 24.6 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -103 | 124.3 | -179.8 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | Y108 | V104-Y108 HydrophobicContact CG1-CD2 3.92Å; V104-Y108 HydrophobicContact CG1-CG 4.26Å |
| 105 | S | 23.1 | Very low | 24.6 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 44% | 0.441 | 67% | 0.672 | S | S | . | * | trans | -36.5 | 140.4 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 114.1 | N107 Y108 | S105-N107 PolarHBondContact O-N 2.88Å; S105-Y108 PolarHBondContact O-N 3.33Å | ||
| 106 | P | 24.6 | Very low | 24.5 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -54.7 | -19.1 | -177.7 | -22.8 | 32.1 | 0 | 0 | 0 | 115.1 | Y108 | P106-Y108 VanDerWaalsContact C-N 3.35Å; P106-Y108 PolarHBondContact O-N 3.05Å |
| 107 | N | 25.2 | Very low | 24.3 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -81.9 | -4.1 | -172 | -69.9 | 6.3 | 0 | 0 | 0 | 115.1 | S105 T111 | S105-N107 PolarHBondContact O-N 2.88Å; N107-T111 PolarHBondContact O-OG1 2.74Å |
| 108 | Y | 24.8 | Very low | 24.1 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -91.9 | -23.7 | -177.7 | -80.9 | -84.3 | 0 | 0 | 0 | 114.6 | V104 S105 P106 | V104-Y108 HydrophobicContact CG1-CD2 3.92Å; V104-Y108 HydrophobicContact CG1-CG 4.26Å; S105-Y108 PolarHBondContact O-N 3.33Å; P106-Y108 VanDerWaalsContact C-N 3.35Å; P106-Y108 PolarHBondContact O-N 3.05Å |
| 109 | M | 25.4 | Very low | 24.1 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.5 | -35.7 | 171.5 | -89.5 | -89.7 | 158.1 | 0 | 0 | 111 | T111 F112 E113 | M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 2.71Å; M109-F112 PolarHBondContact O-N 3.04Å; M109-E113 WeakPolarHBondContact O-CG 3.29Å; M109-E113 PolarHBondContact O-N 3.3Å |
| 110 | E | 23.9 | Very low | 24.1 | Very low | 118 Ų | 118 | 115 Ų | 115 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.6 | -26.5 | 179.3 | -134.2 | 176.8 | -166 | 0 | 0 | 113.4 | N114 | E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.09Å; E110-N114 PolarHBondContact O-ND2 3.43Å |
| 111 | T | 25.4 | Very low | 24.1 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 46% | 0.46 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -80.9 | -29.2 | 176.7 | 0.4 | 0 | 0 | 0 | 0 | 112.3 | N107 M109 L115 | N107-T111 PolarHBondContact O-OG1 2.74Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 2.71Å; T111-L115 WeakPolarHBondContact O-CD1 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.01Å; T111-L115 PolarHBondContact O-N 3.19Å |
| 112 | F | 25.6 | Very low | 24 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.2 | -37.3 | 176.9 | -116.9 | -91 | 0 | 0 | 0 | 111.9 | M109 N114 L115 C116 | M109-F112 PolarHBondContact O-N 3.04Å; F112-N114 VanDerWaalsContact C-N 3.3Å; F112-N114 PolarHBondContact O-N 3.03Å; F112-L115 PolarHBondContact O-N 2.89Å; F112-C116 PolarHBondContact O-N 3.39Å |
| 113 | E | 24.2 | Very low | 24 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -69 | -25.8 | 176.1 | -72.4 | -179.9 | 160.1 | 0 | 0 | 113 | M109 | M109-E113 WeakPolarHBondContact O-CG 3.29Å; M109-E113 PolarHBondContact O-N 3.3Å |
| 114 | N | 25.4 | Very low | 24.1 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -15.4 | 174.3 | -79.8 | -46.2 | 0 | 0 | 0 | 114.3 | E110 F112 | E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.09Å; E110-N114 PolarHBondContact O-ND2 3.43Å; F112-N114 VanDerWaalsContact C-N 3.3Å; F112-N114 PolarHBondContact O-N 3.03Å |
| 115 | L | 25 | Very low | 24 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -14.2 | 177.5 | -80.4 | 163.4 | 0 | 0 | 0 | 113 | T111 F112 | T111-L115 WeakPolarHBondContact O-CD1 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.01Å; T111-L115 PolarHBondContact O-N 3.19Å; F112-L115 PolarHBondContact O-N 2.89Å |
| 116 | C | 23.5 | Very low | 24 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 52% | 0.52 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -128.1 | 94 | 176.9 | -77.5 | 0 | 0 | 0 | 0 | 107.9 | F112 C118 | F112-C116 PolarHBondContact O-N 3.39Å; C116-C118 PolarHBondContact O-N 3.05Å |
| 117 | G | 21.4 | Very low | 23.8 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | trans | -65.9 | 51.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 118 | C | 23.6 | Very low | 23.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -146.5 | 92.7 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | C116 | C116-C118 PolarHBondContact O-N 3.05Š| ||
| 119 | G | 22 | Very low | 23.6 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | trans | -75.8 | 121.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 120 | H | 25.5 | Very low | 23.5 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -152.2 | 113.2 | 169.5 | -82.4 | -73.5 | 0 | 0 | 0 | 113.7 | ||||
| 121 | N | 23.1 | Very low | 23.5 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | 29.1 | 103.5 | 147.3 | -66.4 | -10.9 | 0 | 0 | 0 | 119.4 | Q123 | N121-Q123 PolarHBondContact O-N 3.47Š| ||
| 122 | T | 22.2 | Very low | 23.3 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -64.2 | 103.6 | 161.2 | 40.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 123 | Q | 21.7 | Very low | 23.2 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -168.9 | 118.3 | 153.1 | -110 | 167.5 | 39.5 | 0 | 0 | 111.3 | N121 | N121-Q123 PolarHBondContact O-N 3.47Š| ||
| 124 | S | 24.7 | Very low | 23.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | 126.5 | 105.8 | 152.2 | 68 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 125 | E | 22.8 | Very low | 23 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -63.5 | 123.9 | 162.6 | -69.7 | 177.5 | 135.6 | 0 | 0 | 109.8 | ||||
| 126 | I | 23.8 | Very low | 22.9 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -110.7 | 108 | 170.4 | -61.7 | 174.7 | 0 | 0 | 0 | 108.6 | L128 | I126-L128 HydrophobicContact CG2-CG 4.22Š| ||
| 127 | R | 20.8 | Very low | 22.9 | Very low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -80.8 | 114.4 | 166.9 | -69.6 | -177.1 | 177.6 | -178.2 | 0.2 | 108.9 | ||||
| 128 | L | 24.2 | Very low | 22.9 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | trans | -94.4 | 139.1 | 171.7 | -82.7 | 154.9 | 0 | 0 | 0 | 111.3 | I126 | I126-L128 HydrophobicContact CG2-CG 4.22Š| ||
| 129 | P | 22.3 | Very low | 23 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -74 | 146.3 | -173 | 29 | -32.6 | 0 | 0 | 0 | 112.8 | S131 | P129-S131 PolarHBondContact O-N 2.76Š| ||
| 130 | R | 21.5 | Very low | 23.2 | Very low | 234 Ų | 234 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -56.4 | 113.3 | 170.6 | -81.6 | 178.7 | 161.4 | 131.8 | -4.6 | 110.1 | ||||
| 131 | S | 24.7 | Very low | 23.1 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -102.7 | 90.4 | 167.4 | 63.1 | 0 | 0 | 0 | 0 | 110 | P129 N133 | P129-S131 PolarHBondContact O-N 2.76Å; S131-N133 PolarHBondContact O-N 2.96Å; S131-N133 VanDerWaalsContact O-N 3.16Å | ||
| 132 | D | 22.2 | Very low | 23.3 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -75 | 18.8 | 173.3 | -74.3 | -40.2 | 0 | 0 | 0 | 113.8 | ||||
| 133 | N | 21.7 | Very low | 23.4 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | -147.8 | 151.4 | 179.9 | -75.4 | -48.9 | 0 | 0 | 0 | 108.9 | S131 | S131-N133 PolarHBondContact O-N 2.96Å; S131-N133 VanDerWaalsContact O-N 3.16Å | ||
| 134 | I | 23.6 | Very low | 23.6 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | 97.7 | 63.8 | 172.9 | -40.2 | 147.8 | 0 | 0 | 0 | 115.1 | ||||
| 135 | F | 23.7 | Very low | 23.9 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -135.4 | 73.6 | 147.8 | -84.7 | -78.4 | 0 | 0 | 0 | 109.5 | H137 | F135-H137 PolarHBondContact O-N 3.42Š| ||
| 136 | S | 21.4 | Very low | 24.1 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | -76.6 | 101.3 | 161.5 | 59.5 | 0 | 0 | 0 | 0 | 107.9 | S138 | S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 3.12Å | ||
| 137 | H | 24.7 | Very low | 24.4 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -69.8 | 80.5 | 175.2 | -68.8 | -76.2 | 0 | 0 | 0 | 111 | F135 | F135-H137 PolarHBondContact O-N 3.42Š| ||
| 138 | S | 21 | Very low | 24.9 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -91.7 | 131 | 163.4 | -69.3 | 0 | 0 | 0 | 0 | 109.5 | S136 V140 | S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 3.12Å; S138-V140 PolarHBondContact O-N 2.91Å | ||
| 139 | P | 25.2 | Very low | 25.1 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | trans | -66.7 | 106.7 | 178.4 | 26.3 | -30.3 | 0 | 0 | 0 | 109 | T141 | P139-T141 PolarHBondContact O-N 3.37Å; P139-T141 VanDerWaalsContact O-N 3.07Å | ||
| 140 | V | 25.5 | Very low | 25.6 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 70% | 0.703 | 67% | 0.669 | S | S | * | * | trans | -68.6 | 105.5 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | S138 V145 | S138-V140 PolarHBondContact O-N 2.91Å; V140-V145 HydrophobicContact CG1-CG2 3.72Å | ||
| 141 | T | 23.9 | Very low | 25.9 | Very low | 97 Ų | 97 | 116.9 Ų | 116.9 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | trans | -64.2 | 138.8 | 170.2 | 35.7 | 0 | 0 | 0 | 0 | 109.9 | P139 G143 | P139-T141 PolarHBondContact O-N 3.37Å; P139-T141 VanDerWaalsContact O-N 3.07Å; T141-G143 PolarHBondContact O-N 3.16Å | ||
| 142 | C | 27.4 | Very low | 26.3 | Very low | 69 Ų | 69 | 116 Ų | 116 | 47% | 0.466 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | 7 | -172.6 | -122.5 | 0 | 0 | 0 | 0 | 115.9 | P166 | C142-P166 HydrophobicContact CB-CG 4.38Š|
| 143 | G | 24.2 | Very low | 26.8 | Very low | 61 Ų | 61 | 116.2 Ų | 116.2 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -20.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T141 | T141-G143 PolarHBondContact O-N 3.16Š|
| 144 | D | 26.2 | Very low | 27.3 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -113.5 | 5 | -164 | -70.2 | -46.6 | 0 | 0 | 0 | 115.4 | N146 | D144-N146 PolarHBondContact O-N 3.32Š|
| 145 | V | 30.2 | Very low | 27.6 | Very low | 44 Ų | 44 | 113.4 Ų | 113.4 | 27% | 0.267 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -84.3 | 8.1 | -170.3 | -151.3 | 0 | 0 | 0 | 0 | 113.8 | V140 K147 A148 | V140-V145 HydrophobicContact CG1-CG2 3.72Å; V145-K147 PolarHBondContact O-N 3Å; V145-A148 HydrophobicContact CG1-CB 4.08Å |
| 146 | N | 28 | Very low | 27.9 | Very low | 160 Ų | 160 | 110.4 Ų | 110.4 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -69.1 | 6.1 | 172.1 | -83.1 | -23.2 | 0 | 0 | 0 | 113.9 | D144 | D144-N146 PolarHBondContact O-N 3.32Š|
| 147 | K | 29.8 | Very low | 28.1 | Very low | 177 Ų | 177 | 110.8 Ų | 110.8 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -145.3 | 29.3 | 179.3 | -63.7 | -173.1 | 179.7 | 176.6 | 0 | 115 | V145 Q149 | V145-K147 PolarHBondContact O-N 3Å; K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.21Å |
| 148 | A | 30.6 | Very low | 28.3 | Very low | 37 Ų | 37 | 105.8 Ų | 105.8 | 31% | 0.306 | 60% | 0.595 | S | S | . | * | trans | -74.4 | 87.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V145 F150 | V145-A148 HydrophobicContact CG1-CB 4.08Å; A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.19Å | ||
| 149 | Q | 29.9 | Very low | 28.6 | Very low | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.6 | 175.2 | -68.6 | -177.8 | -6.1 | 0 | 0 | 108.5 | K147 L157 | K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.21Å; Q149-L157 HydrophobicContact CB-CD2 3.84Å; Q149-L157 VanDerWaalsContact CD-CD2 3.49Å; Q149-L157 HydrophobicContact CG-CD2 3.62Å |
| 150 | F | 32.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.8 | 169.5 | -59.4 | -88.6 | 0 | 0 | 0 | 108.1 | A148 V158 I160 | A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.19Å; F150-V158 HydrophobicContact CB-CB 4.48Å; F150-V158 PolarHBondContact O-N 3.4Å; F150-I160 HydrophobicContact CD2-CD1 3.74Å; F150-I160 HydrophobicContact CD2-CG1 4.12Å; F150-I160 HydrophobicContact CE2-CD1 3.46Å; F150-I160 VanDerWaalsContact CE2-CD1 3.46Å; F150-I160 HydrophobicContact CE2-CG1 4.14Å; F150-I160 HydrophobicContact CZ-CD1 4.35Å |
| 151 | T | 27.4 | Very low | 29 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 115 | 170.1 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 152 | N | 32.4 | Very low | 29.5 | Very low | 82 Ų | 82 | 110.6 Ų | 110.6 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | trans | -69.4 | 164.9 | 165.3 | -166.8 | -8.5 | 0 | 0 | 0 | 109.7 | T154 N155 Q156 | N152-T154 PolarHBondContact O-N 3.24Å; N152-N155 WeakPolarHBondContact O-CA 3.37Å; N152-N155 PolarHBondContact O-N 2.83Å; N152-Q156 HydrophobicContact CB-CB 4.49Å; N152-Q156 PolarHBondContact N-O 2.95Å; N152-Q156 VanDerWaalsContact N-O 3.15Å | ||
| 153 | Q | 32.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 114.2 Ų | 114.2 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -17.9 | 173.4 | -65 | -177.2 | -0.3 | 0 | 0 | 113.3 | N155 | Q153-N155 VanDerWaalsContact C-N 3.34Š|
| 154 | T | 31.9 | Very low | 30 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | 9.1 | 174.1 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | N152 Q156 | N152-T154 PolarHBondContact O-N 3.24Å; T154-Q156 PolarHBondContact O-N 3.06Å; T154-Q156 WeakPolarHBondContact OG1-CB 3.28Å; T154-Q156 VanDerWaalsContact OG1-CG 3.32Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.21Å; T154-Q156 PolarHBondContact OG1-OE1 3.29Å |
| 155 | N | 31.7 | Very low | 30.1 | Very low | 140 Ų | 140 | 113.2 Ų | 113.2 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | trans | 52.8 | 20.7 | -168.1 | -77.7 | -24.2 | 0 | 0 | 0 | 113.6 | N152 Q153 L157 | N152-N155 WeakPolarHBondContact O-CA 3.37Å; N152-N155 PolarHBondContact O-N 2.83Å; Q153-N155 VanDerWaalsContact C-N 3.34Å; N155-L157 PolarHBondContact O-N 3.17Å | ||
| 156 | Q | 28.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | trans | -78.7 | 125.2 | 175 | -72.1 | 176.8 | -5.8 | 0 | 0 | 109.4 | N152 T154 V158 | N152-Q156 HydrophobicContact CB-CB 4.49Å; N152-Q156 PolarHBondContact N-O 2.95Å; N152-Q156 VanDerWaalsContact N-O 3.15Å; T154-Q156 PolarHBondContact O-N 3.06Å; T154-Q156 WeakPolarHBondContact OG1-CB 3.28Å; T154-Q156 VanDerWaalsContact OG1-CG 3.32Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.21Å; T154-Q156 PolarHBondContact OG1-OE1 3.29Å; Q156-V158 PolarHBondContact O-N 2.92Å | ||
| 157 | L | 27.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 103.9 | 170.9 | -87.7 | 144.1 | 0 | 0 | 0 | 109.2 | Q149 N155 S159 | Q149-L157 HydrophobicContact CB-CD2 3.84Å; Q149-L157 VanDerWaalsContact CD-CD2 3.49Å; Q149-L157 HydrophobicContact CG-CD2 3.62Å; N155-L157 PolarHBondContact O-N 3.17Å; L157-S159 PolarHBondContact O-N 2.85Å |
| 158 | V | 28.5 | Very low | 30 | Very low | 69 Ų | 69 | 107.8 Ų | 107.8 | 42% | 0.418 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 103.4 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | F150 Q156 I160 | F150-V158 HydrophobicContact CB-CB 4.48Å; F150-V158 PolarHBondContact O-N 3.4Å; Q156-V158 PolarHBondContact O-N 2.92Å; V158-I160 HydrophobicContact CG1-CG1 4.43Å; V158-I160 PolarHBondContact O-N 2.92Å |
| 159 | S | 26.5 | Very low | 30 | Very low | 92 Ų | 92 | 109.6 Ų | 109.6 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 104.8 | 172.5 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L157 R161 | L157-S159 PolarHBondContact O-N 2.85Å; S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 3.26Å |
| 160 | I | 31.5 | Very low | 29.9 | Very low | 92 Ų | 92 | 110 Ų | 110 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | trans | -78.6 | 85.1 | 169.3 | -53.3 | -176.2 | 0 | 0 | 0 | 107.3 | F150 V158 K162 | F150-I160 HydrophobicContact CD2-CD1 3.74Å; F150-I160 HydrophobicContact CD2-CG1 4.12Å; F150-I160 HydrophobicContact CE2-CD1 3.46Å; F150-I160 VanDerWaalsContact CE2-CD1 3.46Å; F150-I160 HydrophobicContact CE2-CG1 4.14Å; F150-I160 HydrophobicContact CZ-CD1 4.35Å; V158-I160 HydrophobicContact CG1-CG1 4.43Å; V158-I160 PolarHBondContact O-N 2.92Å; I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.25Å | ||
| 161 | R | 27.9 | Very low | 29.6 | Very low | 215 Ų | 215 | 111.5 Ų | 111.5 | 81% | 0.811 | 60% | 0.595 | S | S | * | * | trans | -66.4 | 96.7 | 164.9 | -78.7 | -171.8 | 179.6 | -175.9 | 0.8 | 108 | S159 N163 | S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 3.26Å; R161-N163 PolarHBondContact O-N 3.17Å | ||
| 162 | K | 33.5 | Very low | 29.7 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | trans | -69.9 | 99.8 | 164.3 | -97.5 | -174.9 | 174.6 | 179.9 | 0 | 108 | I160 N164 | I160-K162 VanDerWaalsContact C-N 3.35Å; I160-K162 PolarHBondContact O-N 3.25Å; K162-N164 PolarHBondContact O-N 3.32Å | ||
| 163 | N | 31.3 | Very low | 29.4 | Very low | 144 Ų | 144 | 113 Ų | 113 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | trans | -64.9 | 17.2 | 156.8 | -77.3 | 0.1 | 0 | 0 | 0 | 112.5 | R161 | R161-N163 PolarHBondContact O-N 3.17Š| ||
| 164 | N | 32.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 111 Ų | 111 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | trans | -129.8 | 48.9 | -166.9 | -72.6 | -19.2 | 0 | 0 | 0 | 110.8 | K162 | K162-N164 PolarHBondContact O-N 3.32Š| ||
| 165 | C | 27.5 | Very low | 28.8 | Very low | 78 Ų | 78 | 113.1 Ų | 113.1 | 53% | 0.527 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -67.9 | 147.4 | 148.8 | -86 | 0 | 0 | 0 | 0 | 108 | L167 | C165-L167 PolarHBondContact O-N 3.16Š|
| 166 | P | 32.6 | Very low | 28.6 | Very low | 81 Ų | 81 | 109.9 Ų | 109.9 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | trans | -67.3 | 104.6 | -173.4 | -0.6 | 17.5 | 0 | 0 | 0 | 107.5 | C142 | C142-P166 HydrophobicContact CB-CG 4.38Š| ||
| 167 | L | 27.8 | Very low | 28.6 | Very low | 94 Ų | 94 | 110.1 Ų | 110.1 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | trans | -59.8 | 143.3 | 162 | -79 | 156.2 | 0 | 0 | 0 | 107.3 | C165 C169 | C165-L167 PolarHBondContact O-N 3.16Å; L167-C169 PolarHBondContact O-N 2.81Å | ||
| 168 | P | 26.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 107.7 Ų | 107.7 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | trans | -46.6 | 141.5 | 173.5 | 18.9 | -30.3 | 0 | 0 | 0 | 110.1 | D170 E171 | P168-D170 PolarHBondContact O-N 2.88Å; P168-E171 PolarHBondContact O-N 2.9Å | ||
| 169 | C | 28.9 | Very low | 28.9 | Very low | 75 Ų | 75 | 110.6 Ų | 110.6 | 51% | 0.507 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.7 | 5.5 | -166.9 | -86.9 | 0 | 0 | 0 | 0 | 115.9 | L167 C208 | L167-C169 PolarHBondContact O-N 2.81Å; C169-C208 WeakPolarHBondContact CB-SG 3.49Å; C169-C208 WeakPolarHBondContact SG-CB 3.33Å; C169-C208 CovalentContact SG-SG 2.1Å; C169-C208 PolarHBondContact SG-SG 2.92Å |
| 170 | D | 27.8 | Very low | 29 | Very low | 151 Ų | 151 | 108.1 Ų | 108.1 | 81% | 0.807 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -9.3 | -170.8 | -62 | -39.2 | 0 | 0 | 0 | 114.8 | P168 | P168-D170 PolarHBondContact O-N 2.88Š|
| 171 | E | 27.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 106.1 Ų | 106.1 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | trans | -134.7 | 35.4 | -174.4 | -74 | -172.9 | 159.5 | 0 | 0 | 115 | P168 P173 | P168-E171 PolarHBondContact O-N 2.9Å; E171-P173 WeakPolarHBondContact O-CD 3.49Å | ||
| 172 | Y | 28.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 99.4 Ų | 99.4 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | trans | -73.6 | 110.9 | 170.8 | -89.7 | -82.7 | 0 | 0 | 0 | 110.6 | A174 | Y172-A174 PolarHBondContact O-N 3.18Š| ||
| 173 | P | 25.9 | Very low | 29.2 | Very low | 92 Ų | 92 | 96 Ų | 96 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | trans | -61.1 | 129.9 | 168.4 | 26.3 | -32.9 | 0 | 0 | 0 | 108.3 | E171 N175 | E171-P173 WeakPolarHBondContact O-CD 3.49Å; P173-N175 PolarHBondContact O-N 2.87Å | ||
| 174 | A | 26.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 95.9 Ų | 95.9 | 85% | 0.851 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -59.7 | -9.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y172 | Y172-A174 PolarHBondContact O-N 3.18Š|
| 175 | N | 25.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 95 Ų | 95 | 68% | 0.679 | 58% | 0.58 | S | S | * | * | trans | -118.3 | 86.4 | -176.9 | -73 | -18 | 0 | 0 | 0 | 111.1 | P173 V177 | P173-N175 PolarHBondContact O-N 2.87Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.41Å; N175-V177 VanDerWaalsContact O-N 3.17Å | ||
| 176 | I | 28.5 | Very low | 29.7 | Very low | 73 Ų | 73 | 95 Ų | 95 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | trans | -76.1 | 98.9 | 154.1 | -60.8 | 174.5 | 0 | 0 | 0 | 105.3 | I178 | I176-I178 HydrophobicContact CG2-CG1 3.83Å; I176-I178 PolarHBondContact O-N 2.92Å | ||
| 177 | V | 27.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 94.6 Ų | 94.6 | 76% | 0.758 | 57% | 0.572 | S | S | * | * | trans | -62.8 | 95.9 | 161.7 | 179.6 | 0 | 0 | 0 | 0 | 105.8 | N175 D179 | N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.41Å; N175-V177 VanDerWaalsContact O-N 3.17Å; V177-D179 PolarHBondContact O-N 2.87Å | ||
| 178 | I | 31.8 | Very low | 30.6 | Very low | 63 Ų | 63 | 94.5 Ų | 94.5 | 32% | 0.323 | 57% | 0.572 | S | S | . | * | trans | -74.4 | 107.7 | 167.1 | -59.9 | 177.4 | 0 | 0 | 0 | 104.2 | L38 I176 G180 W183 | L38-I178 HydrophobicContact CD1-CD1 4.18Å; I176-I178 HydrophobicContact CG2-CG1 3.83Å; I176-I178 PolarHBondContact O-N 2.92Å; I178-G180 PolarHBondContact O-N 2.88Å; I178-W183 HydrophobicContact CG2-CZ2 4.37Å | ||
| 179 | D | 30.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 100 Ų | 100 | 70% | 0.695 | 58% | 0.581 | S | S | * | * | trans | -57.2 | 103.9 | 175.9 | -158.4 | -5.9 | 0 | 0 | 0 | 108.3 | V177 G181 A182 | V177-D179 PolarHBondContact O-N 2.87Å; D179-G181 PolarHBondContact O-N 3Å; D179-A182 PolarHBondContact O-N 3.01Å | ||
| 180 | G | 28.2 | Very low | 31.6 | Very low | 39 Ų | 39 | 100 Ų | 100 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -61.1 | -14 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | I178 A182 | I178-G180 PolarHBondContact O-N 2.88Å; G180-A182 VanDerWaalsContact C-N 3.31Å; G180-A182 PolarHBondContact O-N 3.13Å |
| 181 | G | 27 | Very low | 32.2 | Very low | 50 Ų | 50 | 93.6 Ų | 93.6 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -67.9 | -23.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D179 W183 | D179-G181 PolarHBondContact O-N 3Å; G181-W183 VanDerWaalsContact C-N 3.26Å; G181-W183 PolarHBondContact O-N 2.87Å |
| 182 | A | 31.6 | Very low | 32.9 | Very low | 75 Ų | 75 | 88.9 Ų | 88.9 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -75.5 | -12.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D179 G180 | D179-A182 PolarHBondContact O-N 3.01Å; G180-A182 VanDerWaalsContact C-N 3.31Å; G180-A182 PolarHBondContact O-N 3.13Å |
| 183 | W | 39.2 | Very low | 33.5 | Very low | 57 Ų | 57 | 84.2 Ų | 84.2 | 22% | 0.216 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -96 | -19.4 | -174.7 | -61.2 | 87.2 | 0 | 0 | 0 | 113.2 | I178 G181 G185 L186 A191 A194 A195 I198 | I178-W183 HydrophobicContact CG2-CZ2 4.37Å; G181-W183 VanDerWaalsContact C-N 3.26Å; G181-W183 PolarHBondContact O-N 2.87Å; W183-G185 PolarHBondContact O-N 3.03Å; W183-G185 VanDerWaalsContact O-N 3.16Å; W183-L186 HydrophobicContact CE3-CD1 4.32Å; W183-L186 PolarHBondContact O-N 2.85Å; W183-L186 VanDerWaalsContact O-N 3.12Å; W183-A191 HydrophobicContact CE3-CB 3.71Å; W183-A191 HydrophobicContact CZ3-CB 4.08Å; W183-A191 VanDerWaalsContact CZ3-O 3.24Å; W183-A191 WeakPolarHBondContact CZ3-O 3.29Å; W183-A194 HydrophobicContact CH2-CB 3.84Å; W183-A194 HydrophobicContact CZ3-CB 3.73Å; W183-A195 HydrophobicContact CH2-CB 4.5Å; W183-I198 HydrophobicContact CH2-CD1 3.98Å; W183-I198 HydrophobicContact CZ2-CD1 4.09Å |
| 184 | N | 33.5 | Very low | 34.2 | Very low | 142 Ų | 142 | 81.5 Ų | 81.5 | 76% | 0.759 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14.9 | -173.1 | -65 | -12.8 | 0 | 0 | 0 | 113.5 | ||
| 185 | G | 34.6 | Very low | 34.9 | Very low | 74 Ų | 74 | 77.6 Ų | 77.6 | 76% | 0.763 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W183 | W183-G185 PolarHBondContact O-N 3.03Å; W183-G185 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 34.2 | Very low | 35.6 | Very low | 78 Ų | 78 | 76.3 Ų | 76.3 | 41% | 0.408 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -97.6 | 133.5 | -178.5 | -72.7 | 168.6 | 0 | 0 | 0 | 110.3 | W183 L188 D190 A191 | W183-L186 HydrophobicContact CE3-CD1 4.32Å; W183-L186 PolarHBondContact O-N 2.85Å; W183-L186 VanDerWaalsContact O-N 3.12Å; L186-L188 PolarHBondContact O-N 3.45Å; L186-D190 HydrophobicContact CB-CB 4.36Å; L186-D190 HydrophobicContact CD2-CB 4.1Å; L186-A191 HydrophobicContact CB-CB 4.48Å |
| 187 | P | 36.3 | Very low | 36.1 | Very low | 74 Ų | 74 | 77.2 Ų | 77.2 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | trans | -50.7 | 140 | 164.4 | -22.8 | 31.8 | 0 | 0 | 0 | 109.7 | R189 D190 A191 | P187-R189 PolarHBondContact O-N 2.82Å; P187-D190 WeakPolarHBondContact CD-OD2 3.49Å; P187-D190 WeakPolarHBondContact CG-OD2 3.31Å; P187-D190 WeakPolarHBondContact O-CA 3.07Å; P187-D190 WeakPolarHBondContact O-CB 2.97Å; P187-D190 PolarHBondContact O-N 3.42Å; P187-A191 PolarHBondContact O-N 3.46Å | ||
| 188 | L | 42 | Very low | 36.6 | Very low | 92 Ų | 92 | 74.5 Ų | 74.5 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -48 | -36.3 | -178.2 | -178.4 | 69.4 | 0 | 0 | 0 | 113 | A45 L49 L186 D190 A191 I192 | A45-L188 HydrophobicContact CB-CD1 3.77Å; A45-L188 HydrophobicContact CB-CD2 3.93Å; A45-L188 HydrophobicContact CB-CG 4.4Å; L49-L188 HydrophobicContact CD1-CD2 4.24Å; L186-L188 PolarHBondContact O-N 3.45Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 2.81Å; L188-A191 PolarHBondContact O-N 2.89Å; L188-I192 HydrophobicContact CD1-CD1 4.31Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.9Å; L188-I192 WeakPolarHBondContact O-CB 3.38Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.84Å |
| 189 | R | 37.1 | Very low | 37 | Very low | 207 Ų | 207 | 76.9 Ų | 76.9 | 78% | 0.781 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 175.2 | -175.2 | 175.4 | -176.9 | -113.3 | 3.9 | 112.8 | P187 G193 | P187-R189 PolarHBondContact O-N 2.82Å; R189-G193 PolarHBondContact O-N 2.89Å |
| 190 | D | 39.3 | Very low | 37 | Very low | 73 Ų | 73 | 73.9 Ų | 73.9 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.7 | -33.1 | -178.7 | -61.3 | -18 | 0 | 0 | 0 | 110.8 | L186 P187 L188 G193 A194 | L186-D190 HydrophobicContact CB-CB 4.36Å; L186-D190 HydrophobicContact CD2-CB 4.1Å; P187-D190 WeakPolarHBondContact CD-OD2 3.49Å; P187-D190 WeakPolarHBondContact CG-OD2 3.31Å; P187-D190 WeakPolarHBondContact O-CA 3.07Å; P187-D190 WeakPolarHBondContact O-CB 2.97Å; P187-D190 PolarHBondContact O-N 3.42Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 2.81Å; D190-G193 PolarHBondContact O-N 3.21Å; D190-A194 WeakPolarHBondContact O-CB 3.22Å; D190-A194 PolarHBondContact O-N 2.98Å |
| 191 | A | 40.5 | Very low | 37.1 | Very low | 18 Ų | 18 | 74.8 Ų | 74.8 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W183 L186 P187 L188 G193 A194 A195 | W183-A191 HydrophobicContact CE3-CB 3.71Å; W183-A191 HydrophobicContact CZ3-CB 4.08Å; W183-A191 VanDerWaalsContact CZ3-O 3.24Å; W183-A191 WeakPolarHBondContact CZ3-O 3.29Å; L186-A191 HydrophobicContact CB-CB 4.48Å; P187-A191 PolarHBondContact O-N 3.46Å; L188-A191 PolarHBondContact O-N 2.89Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.33Å; A191-A194 PolarHBondContact O-N 3.42Å; A191-A195 WeakPolarHBondContact O-CB 3.21Å; A191-A195 PolarHBondContact O-N 2.71Å |
| 192 | I | 43.8 | Very low | 37.3 | Very low | 45 Ų | 45 | 78.2 Ų | 78.2 | 23% | 0.231 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.7 | -68.9 | 166.4 | 0 | 0 | 0 | 110.3 | L49 L188 A195 L196 | L49-I192 HydrophobicContact CD1-CD1 4.22Å; L188-I192 HydrophobicContact CD1-CD1 4.31Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.9Å; L188-I192 WeakPolarHBondContact O-CB 3.38Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.84Å; I192-A195 PolarHBondContact O-N 3.37Å; I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 WeakPolarHBondContact O-CB 3.49Å; I192-L196 PolarHBondContact O-N 2.73Å |
| 193 | G | 39.6 | Very low | 37.2 | Very low | 31 Ų | 31 | 78.6 Ų | 78.6 | 32% | 0.32 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R189 D190 A191 L196 V197 | R189-G193 PolarHBondContact O-N 2.89Å; D190-G193 PolarHBondContact O-N 3.21Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-G193 PolarHBondContact O-N 3.33Å; G193-L196 PolarHBondContact O-N 3.24Å; G193-V197 WeakPolarHBondContact O-CG2 3.04Å; G193-V197 PolarHBondContact O-N 3.18Å |
| 194 | A | 40.1 | Very low | 36.7 | Very low | 35 Ų | 35 | 84.7 Ų | 84.7 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W183 D190 A191 L196 V197 I198 | W183-A194 HydrophobicContact CH2-CB 3.84Å; W183-A194 HydrophobicContact CZ3-CB 3.73Å; D190-A194 WeakPolarHBondContact O-CB 3.22Å; D190-A194 PolarHBondContact O-N 2.98Å; A191-A194 PolarHBondContact O-N 3.42Å; A194-L196 PolarHBondContact O-N 3Å; A194-V197 PolarHBondContact O-N 3.42Å; A194-I198 WeakPolarHBondContact O-CD1 3.48Å; A194-I198 VanDerWaalsContact O-CG1 3.23Å; A194-I198 WeakPolarHBondContact O-CG1 3.27Å; A194-I198 PolarHBondContact O-N 3.37Å |
| 195 | A | 42.2 | Very low | 36.4 | Very low | 21 Ų | 21 | 82 Ų | 82 | 17% | 0.174 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | W183 A191 I192 I198 L199 | W183-A195 HydrophobicContact CH2-CB 4.5Å; A191-A195 WeakPolarHBondContact O-CB 3.21Å; A191-A195 PolarHBondContact O-N 2.71Å; I192-A195 PolarHBondContact O-N 3.37Å; A195-I198 PolarHBondContact O-N 3.43Å; A195-L199 WeakPolarHBondContact O-CB 3.24Å; A195-L199 VanDerWaalsContact O-CG 3.29Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 2.93Å |
| 196 | L | 40.7 | Very low | 36.1 | Very low | 100 Ų | 100 | 80.8 Ų | 80.8 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.3 | -100.5 | 131.1 | 0 | 0 | 0 | 112.4 | I192 G193 A194 L199 T200 | I192-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 WeakPolarHBondContact O-CB 3.49Å; I192-L196 PolarHBondContact O-N 2.73Å; G193-L196 PolarHBondContact O-N 3.24Å; A194-L196 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 3.32Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 VanDerWaalsContact O-CG2 3.27Å; L196-T200 WeakPolarHBondContact O-CG2 2.97Å; L196-T200 PolarHBondContact O-N 3.07Å; L196-T200 PolarHBondContact O-OG1 2.93Å |
| 197 | V | 37.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 81 Ų | 81 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -39.2 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111 | G193 A194 T200 S201 | G193-V197 WeakPolarHBondContact O-CG2 3.04Å; G193-V197 PolarHBondContact O-N 3.18Å; A194-V197 PolarHBondContact O-N 3.42Å; V197-T200 WeakPolarHBondContact CA-OG1 3.02Å; V197-T200 PolarHBondContact O-OG1 3.21Å; V197-S201 WeakPolarHBondContact O-CB 3.42Å; V197-S201 PolarHBondContact O-N 3.3Å; V197-S201 PolarHBondContact O-OG 3.45Å |
| 198 | I | 39.8 | Very low | 35.3 | Very low | 67 Ų | 67 | 80.5 Ų | 80.5 | 34% | 0.344 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 175.5 | -67.8 | 164.1 | 0 | 0 | 0 | 110.8 | W183 A194 A195 S201 K202 | W183-I198 HydrophobicContact CH2-CD1 3.98Å; W183-I198 HydrophobicContact CZ2-CD1 4.09Å; A194-I198 WeakPolarHBondContact O-CD1 3.48Å; A194-I198 VanDerWaalsContact O-CG1 3.23Å; A194-I198 WeakPolarHBondContact O-CG1 3.27Å; A194-I198 PolarHBondContact O-N 3.37Å; A195-I198 PolarHBondContact O-N 3.43Å; I198-S201 WeakPolarHBondContact CA-OG 3.5Å; I198-S201 PolarHBondContact O-OG 2.93Å; I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 2.91Å |
| 199 | L | 38.4 | Very low | 34.6 | Very low | 114 Ų | 114 | 87 Ų | 87 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 178.8 | -72.3 | 166.9 | 0 | 0 | 0 | 112.7 | A195 L196 S203 | A195-L199 WeakPolarHBondContact O-CB 3.24Å; A195-L199 VanDerWaalsContact O-CG 3.29Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 2.93Å; L196-L199 PolarHBondContact O-N 3.32Å; L199-S203 PolarHBondContact O-N 2.65Å |
| 200 | T | 31.9 | Very low | 34.2 | Very low | 67 Ų | 67 | 87.1 Ų | 87.1 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -81.8 | -26.7 | 178.2 | 55 | 0 | 0 | 0 | 0 | 113.3 | L196 V197 S203 K204 | L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 VanDerWaalsContact O-CG2 3.27Å; L196-T200 WeakPolarHBondContact O-CG2 2.97Å; L196-T200 PolarHBondContact O-N 3.07Å; L196-T200 PolarHBondContact O-OG1 2.93Å; V197-T200 WeakPolarHBondContact CA-OG1 3.02Å; V197-T200 PolarHBondContact O-OG1 3.21Å; T200-S203 PolarHBondContact O-N 3.03Å; T200-S203 PolarHBondContact O-OG 3.21Å; T200-K204 PolarHBondContact O-N 3.32Å; T200-K204 VanDerWaalsContact O-N 3.13Å |
| 201 | S | 29 | Very low | 33.4 | Very low | 57 Ų | 57 | 92.2 Ų | 92.2 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.4 | -33.4 | 169.3 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | V197 I198 S203 K204 A205 | V197-S201 WeakPolarHBondContact O-CB 3.42Å; V197-S201 PolarHBondContact O-N 3.3Å; V197-S201 PolarHBondContact O-OG 3.45Å; I198-S201 WeakPolarHBondContact CA-OG 3.5Å; I198-S201 PolarHBondContact O-OG 2.93Å; S201-S203 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.29Å; S201-A205 WeakPolarHBondContact O-CB 3.36Å; S201-A205 PolarHBondContact O-N 2.83Å |
| 202 | K | 31.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 98.1 Ų | 98.1 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.5 | -34.5 | 167.3 | -78.8 | -178.8 | 178.3 | -175.6 | 0 | 112.6 | I198 S206 | I198-K202 WeakPolarHBondContact O-CG 3.12Å; I198-K202 PolarHBondContact O-N 2.91Å; K202-S206 PolarHBondContact O-OG 3.34Å |
| 203 | S | 28.6 | Very low | 31.9 | Very low | 83 Ų | 83 | 100.1 Ų | 100.1 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -85.3 | -19.1 | -179.7 | 75.5 | 0 | 0 | 0 | 0 | 115 | L199 T200 S201 | L199-S203 PolarHBondContact O-N 2.65Å; T200-S203 PolarHBondContact O-N 3.03Å; T200-S203 PolarHBondContact O-OG 3.21Å; S201-S203 PolarHBondContact O-N 3.49Å |
| 204 | K | 28.6 | Very low | 31.1 | Very low | 186 Ų | 186 | 110.8 Ų | 110.8 | 81% | 0.809 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -104.4 | -27.9 | 179.2 | -73.1 | -176.7 | 177 | 179.8 | 0 | 114.6 | T200 S201 | T200-K204 PolarHBondContact O-N 3.32Å; T200-K204 VanDerWaalsContact O-N 3.13Å; S201-K204 PolarHBondContact O-N 3.29Å |
| 205 | A | 28 | Very low | 30.4 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -85.7 | -14.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S201 | S201-A205 WeakPolarHBondContact O-CB 3.36Å; S201-A205 PolarHBondContact O-N 2.83Å |
| 206 | S | 28.7 | Very low | 29.6 | Very low | 48 Ų | 48 | 116.8 Ų | 116.8 | 34% | 0.336 | 63% | 0.628 | S | S | . | * | trans | -106.5 | 96.5 | 173.7 | 71.6 | 0 | 0 | 0 | 0 | 109.4 | K202 C208 | K202-S206 PolarHBondContact O-OG 3.34Å; S206-C208 PolarHBondContact O-N 3.38Å | ||
| 207 | G | 25.5 | Very low | 29.1 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 87% | 0.866 | 63% | 0.632 | S | S | * | * | trans | -54.7 | -9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R209 | G207-R209 PolarHBondContact O-N 3.11Š| ||
| 208 | C | 27.1 | Very low | 28.6 | Very low | 62 Ų | 62 | 125.1 Ų | 125.1 | 42% | 0.419 | 65% | 0.648 | S | S | . | * | trans | -67.2 | 77.7 | 165.4 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | C169 S206 R210 | C169-C208 WeakPolarHBondContact CB-SG 3.49Å; C169-C208 WeakPolarHBondContact SG-CB 3.33Å; C169-C208 CovalentContact SG-SG 2.1Å; C169-C208 PolarHBondContact SG-SG 2.92Å; S206-C208 PolarHBondContact O-N 3.38Å; C208-R210 PolarHBondContact O-N 3.39Å | ||
| 209 | R | 27.1 | Very low | 28 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | trans | -42.3 | 118.7 | 151.6 | -109.2 | -176.8 | -178.2 | -170.2 | 1.6 | 105.2 | G207 M211 | G207-R209 PolarHBondContact O-N 3.11Å; R209-M211 PolarHBondContact O-N 3.16Å | ||
| 210 | R | 28.7 | Very low | 27.7 | Very low | 209 Ų | 209 | 130.8 Ų | 130.8 | 79% | 0.789 | 67% | 0.673 | S | S | * | * | trans | -54.1 | 98 | 160.9 | -86.6 | -178.8 | 174.4 | 166.3 | -3.9 | 106 | C208 I212 | C208-R210 PolarHBondContact O-N 3.39Å; R210-I212 HydrophobicContact CB-CG1 4.33Å; R210-I212 PolarHBondContact O-N 2.97Å | ||
| 211 | M | 24.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 89% | 0.892 | 70% | 0.697 | S | S | * | * | trans | -66 | 84.8 | 156.9 | -82.7 | -160.9 | -85.4 | 0 | 0 | 104.4 | R209 S213 | R209-M211 PolarHBondContact O-N 3.16Å; M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.95Å | ||
| 212 | I | 26.5 | Very low | 27.6 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | trans | -58.5 | 108.3 | 158 | -57.7 | 174.3 | 0 | 0 | 0 | 103.2 | R210 R214 | R210-I212 HydrophobicContact CB-CG1 4.33Å; R210-I212 PolarHBondContact O-N 2.97Å; I212-R214 PolarHBondContact O-N 3.42Å | ||
| 213 | S | 24.5 | Very low | 27.5 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | -42.3 | 118.3 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | M211 S215 | M211-S213 VanDerWaalsContact C-N 3.28Å; M211-S213 PolarHBondContact O-N 2.95Å; S213-S215 PolarHBondContact O-N 2.88Å | ||
| 214 | R | 24.1 | Very low | 27.6 | Very low | 255 Ų | 255 | 151.2 Ų | 151.2 | 96% | 0.962 | 73% | 0.732 | S | S | * | * | trans | -69.8 | 60.9 | 163.8 | -78.1 | -178.6 | 163.4 | -172 | -4.2 | 107.9 | I212 S216 | I212-R214 PolarHBondContact O-N 3.42Å; R214-S216 PolarHBondContact O-N 3.5Å | ||
| 215 | S | 25.4 | Very low | 27.7 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | trans | -82.5 | 94.9 | 173.9 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | S213 H217 | S213-S215 PolarHBondContact O-N 2.88Å; S215-H217 PolarHBondContact O-N 3.3Å | ||
| 216 | S | 26 | Very low | 27.9 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 45.8 | 73.3 | 138.3 | 178.6 | 0 | 0 | 0 | 0 | 117.3 | R214 | R214-S216 PolarHBondContact O-N 3.5Š| ||
| 217 | H | 29.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 60% | 0.602 | 74% | 0.741 | S | S | * | * | trans | -102.1 | 36 | 165.7 | -92 | -82.9 | 0 | 0 | 0 | 113.3 | S215 N219 | S215-H217 PolarHBondContact O-N 3.3Å; H217-N219 PolarHBondContact O-N 3.35Å | ||
| 218 | R | 27.1 | Very low | 27.9 | Very low | 237 Ų | 237 | 157 Ų | 157 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 5.4 | 176.3 | -115.9 | -173.9 | -172.4 | -167.9 | 2.4 | 114.9 | ||
| 219 | N | 28.5 | Very low | 28 | Very low | 157 Ų | 157 | 161.2 Ų | 161.2 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | 39.5 | -168.3 | -100.3 | -11.3 | 0 | 0 | 0 | 115.8 | H217 | H217-N219 PolarHBondContact O-N 3.35Š|
| 220 | K | 30.7 | Very low | 28 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | -132.1 | 104.3 | 161 | -74.1 | -172.4 | 179 | 176.6 | 0 | 109.2 | W222 | K220-W222 PolarHBondContact O-N 2.86Š| ||
| 221 | K | 29.2 | Very low | 27.8 | Very low | 210 Ų | 210 | 152 Ų | 152 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | trans | -46.9 | 106.5 | 158.6 | -78.4 | 176.3 | 174.2 | 177.5 | 0 | 106 | D223 | K221-D223 PolarHBondContact O-N 3.13Š| ||
| 222 | W | 30.5 | Very low | 27.9 | Very low | 211 Ų | 211 | 152.9 Ų | 152.9 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -61.8 | 111.3 | 166.6 | -86.2 | 59.8 | 0 | 0 | 0 | 105.6 | K220 R224 L227 | K220-W222 PolarHBondContact O-N 2.86Å; W222-R224 PolarHBondContact O-N 3.06Å; W222-R224 VanDerWaalsContact O-N 3.13Å; W222-L227 HydrophobicContact CE3-CD1 4.22Å | ||
| 223 | D | 29.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | -59.8 | 119.4 | 179.3 | -127.8 | -23.5 | 0 | 0 | 0 | 107.2 | K221 E225 T226 | K221-D223 PolarHBondContact O-N 3.13Å; D223-E225 PolarHBondContact O-N 2.95Å; D223-T226 PolarHBondContact O-N 3.36Å; D223-T226 VanDerWaalsContact O-N 3.11Å; D223-T226 PolarHBondContact O-OG1 3.11Å | ||
| 224 | R | 30.5 | Very low | 28 | Very low | 227 Ų | 227 | 162.2 Ų | 162.2 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 0.3 | -177.1 | -132.6 | 177.9 | -176.8 | -174.7 | 0.1 | 112.3 | W222 | W222-R224 PolarHBondContact O-N 3.06Å; W222-R224 VanDerWaalsContact O-N 3.13Å |
| 225 | E | 31.9 | Very low | 28.2 | Very low | 132 Ų | 132 | 157.6 Ų | 157.6 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -20.3 | -179.4 | -55.5 | -150 | 128.8 | 0 | 0 | 113.5 | D223 L227 K228 | D223-E225 PolarHBondContact O-N 2.95Å; E225-L227 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 3.41Å; E225-K228 IonicContact OE1-NZ 3.41Å; E225-K228 PolarHBondContact OE1-NZ 3.35Å |
| 226 | T | 30.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 161.9 Ų | 161.9 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -12.3 | 175.3 | -18.9 | 0 | 0 | 0 | 0 | 112.5 | D223 | D223-T226 PolarHBondContact O-N 3.36Å; D223-T226 VanDerWaalsContact O-N 3.11Å; D223-T226 PolarHBondContact O-OG1 3.11Å |
| 227 | L | 30.1 | Very low | 28.4 | Very low | 134 Ų | 134 | 164.9 Ų | 164.9 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 11 | 173.8 | -94 | 151.1 | 0 | 0 | 0 | 113.5 | W222 E225 | W222-L227 HydrophobicContact CE3-CD1 4.22Å; E225-L227 PolarHBondContact O-N 3.17Å |
| 228 | K | 25.8 | Very low | 28.4 | Very low | 142 Ų | 142 | 166.9 Ų | 166.9 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | trans | -92.5 | 5.6 | 179.2 | -79.4 | -176.3 | 179.7 | 169.3 | 0 | 115.4 | E225 H230 | E225-K228 PolarHBondContact O-N 3.41Å; E225-K228 IonicContact OE1-NZ 3.41Å; E225-K228 PolarHBondContact OE1-NZ 3.35Å; K228-H230 PolarHBondContact O-N 3.04Å | ||
| 229 | L | 27.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 162.6 Ų | 162.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 108.6 | 173.8 | -87.4 | 149.3 | 0 | 0 | 0 | 109.8 | ||
| 230 | H | 27.3 | Very low | 28.5 | Very low | 146 Ų | 146 | 162.9 Ų | 162.9 | 68% | 0.676 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.8 | 56.1 | 176.4 | -61.5 | -70 | 0 | 0 | 0 | 116.5 | K228 W232 | K228-H230 PolarHBondContact O-N 3.04Å; H230-W232 AromaticContact CG-NE1 3.89Å; H230-W232 AromaticContact ND1-NE1 3.66Å; H230-W232 PolarHBondContact O-N 3.42Å |
| 231 | S | 25.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 164.4 Ų | 164.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -58 | 92.6 | 140.9 | 54.4 | 0 | 0 | 0 | 0 | 109 | Q233 | S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.25Å; S231-Q233 VanDerWaalsContact O-N 3.16Å | ||
| 232 | W | 25.9 | Very low | 28.3 | Very low | 200 Ų | 200 | 160.8 Ų | 160.8 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 89.5 | 160.3 | -74.2 | 41.8 | 0 | 0 | 0 | 106 | T66 H230 | T66-W232 HydrophobicContact CG2-CZ3 4.17Å; H230-W232 AromaticContact CG-NE1 3.89Å; H230-W232 AromaticContact ND1-NE1 3.66Å; H230-W232 PolarHBondContact O-N 3.42Å | ||
| 233 | Q | 25.2 | Very low | 28.1 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -96.1 | 112.5 | 162.1 | -98.1 | 178.8 | -40.2 | 0 | 0 | 107.2 | S231 | S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.25Å; S231-Q233 VanDerWaalsContact O-N 3.16Å | ||
| 234 | L | 27.3 | Very low | 28 | Very low | 251 Ų | 251 | 160.8 Ų | 160.8 | 100% | 1.314 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 0 | 174.1 | -66.4 | 157.4 | 0 | 0 | 0 | 116.7 |
Retrieved 234 of 234 residues in 36.1 ms
(Link to these results)