| 1 | M | 34 | Very low | 40.7 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 100% | 1.197 | 81% | 0.807 | S | S | * | * | | | | 0 | 99.6 | 0 | -71.1 | -75.4 | -179.4 | 0 | 0 | 108.6 | | |
| 2 | S | 43.5 | Very low | 41.4 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -69.1 | 130.5 | -179.2 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | Q | 40.5 | Very low | 41.5 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -141.3 | 97.9 | 156.7 | -67.4 | -166.2 | 19 | 0 | 0 | 111 | | |
| 4 | K | 42.7 | Very low | 41.9 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -87.6 | 136.2 | 141.2 | -71.5 | 174.1 | 170.8 | 170.6 | 0 | 104.6 | | |
| 5 | P | 42.4 | Very low | 42.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | | -150.5 | -175.2 | 68.7 | 33.5 | -8.9 | 0 | 0 | 0 | 110.6 | | |
| 6 | A | 33.5 | Very low | 42.4 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | cis | -151.1 | 141.3 | 21.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | E8 | A6-E8 VanDerWaalsContact C-N 3.35Å; A6-E8 PolarHBondContact O-N 3.39Å |
| 7 | K | 40.4 | Very low | 42.5 | Very low | 216 Ų | 216 | 145.4 Ų | 145.4 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | | | trans | -65.7 | 96.4 | 165.7 | -82.3 | -176.8 | 171.6 | -178 | 0 | 108 | G9 | K7-G9 PolarHBondContact O-N 3.17Š|
| 8 | E | 36.4 | Very low | 42.5 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | | | trans | -67.1 | 103.2 | 167.3 | -167.5 | 156.3 | 115.8 | 0 | 0 | 107.2 | A6 R11 | A6-E8 VanDerWaalsContact C-N 3.35Å; A6-E8 PolarHBondContact O-N 3.39Å; E8-R11 HydrophobicContact CG-CG 4.39Å; E8-R11 WeakPolarHBondContact OE1-CD 3.47Å |
| 9 | G | 44.8 | Very low | 42.7 | Very low | 33 Ų | 33 | 139.3 Ų | 139.3 | 34% | 0.34 | 72% | 0.715 | S | S | . | * | | | trans | -62 | 162.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K7 R11 | K7-G9 PolarHBondContact O-N 3.17Å; G9-R11 PolarHBondContact O-N 3.08Å |
| 10 | P | 44.7 | Very low | 42.8 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | | | trans | -53.2 | 107.2 | -175.6 | -23.7 | 32.8 | 0 | 0 | 0 | 111.8 | L12 | P10-L12 PolarHBondContact O-N 3.4Š|
| 11 | R | 45.2 | Very low | 42.6 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | | | trans | -69.5 | 111.8 | 176.4 | -77.6 | -172.9 | 87.5 | 175.2 | 6.2 | 109.2 | E8 G9 S13 | E8-R11 HydrophobicContact CG-CG 4.39Å; E8-R11 WeakPolarHBondContact OE1-CD 3.47Å; G9-R11 PolarHBondContact O-N 3.08Å; R11-S13 PolarHBondContact O-N 3.43Å |
| 12 | L | 48.6 | Very low | 42.9 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 44% | 0.44 | 69% | 0.688 | S | S | . | * | | | trans | -72.1 | 59 | 172.1 | -72.6 | 163 | 0 | 0 | 0 | 111.3 | P10 K14 N15 C51 | P10-L12 PolarHBondContact O-N 3.4Å; L12-K14 PolarHBondContact O-N 3.25Å; L12-N15 WeakPolarHBondContact CD2-ND2 3.2Å; L12-C51 HydrophobicContact CD1-CB 4.27Å |
| 13 | S | 42.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 6.6 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 115.2 | R11 | R11-S13 PolarHBondContact O-N 3.43Š|
| 14 | K | 46.6 | Very low | 43.4 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 16 | -176.3 | -67.6 | -178.9 | 178.2 | 175.3 | 0 | 114.7 | L12 Q16 | L12-K14 PolarHBondContact O-N 3.25Å; K14-Q16 PolarHBondContact O-N 3.14Å |
| 15 | N | 45.1 | Very low | 43.8 | Very low | 48 Ų | 48 | 120.7 Ų | 120.7 | 26% | 0.257 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | 33.6 | -164.2 | -80.1 | -98 | 0 | 0 | 0 | 116.7 | L12 K17 Y18 | L12-N15 WeakPolarHBondContact CD2-ND2 3.2Å; N15-K17 VanDerWaalsContact C-N 3.27Å; N15-Y18 HydrophobicContact CB-CD2 4.17Å; N15-Y18 WeakPolarHBondContact OD1-CB 3.46Å; N15-Y18 WeakPolarHBondContact OD1-CD2 3.32Å |
| 16 | Q | 47.3 | Very low | 44 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -34.5 | 167 | -166.2 | 167.3 | 8.5 | 0 | 0 | 111.1 | K14 | K14-Q16 PolarHBondContact O-N 3.14Š|
| 17 | K | 44.3 | Very low | 44.6 | Very low | 188 Ų | 188 | 113.5 Ų | 113.5 | 82% | 0.817 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -13 | -175.4 | -148.1 | 171.8 | -173.2 | 176.5 | 0 | 115.2 | N15 | N15-K17 VanDerWaalsContact C-N 3.27Š|
| 18 | Y | 41.6 | Very low | 44.9 | Very low | 130 Ų | 130 | 107.3 Ų | 107.3 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -11.8 | 179.9 | -67.5 | -91.6 | 0 | 0 | 0 | 113.3 | N15 E20 H21 F22 | N15-Y18 HydrophobicContact CB-CD2 4.17Å; N15-Y18 WeakPolarHBondContact OD1-CB 3.46Å; N15-Y18 WeakPolarHBondContact OD1-CD2 3.32Å; Y18-E20 PolarHBondContact O-N 3.01Å; Y18-H21 PolarHBondContact O-N 2.81Å; Y18-F22 HydrophobicContact CD1-CD2 4.19Å; Y18-F22 HydrophobicContact CD1-CE2 4.2Å; Y18-F22 PolarHBondContact O-N 2.78Å |
| 19 | S | 47.4 | Very low | 45.3 | Very low | 44 Ų | 44 | 102.9 Ų | 102.9 | 31% | 0.308 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.1 | 173.2 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | I46 | S19-I46 VanDerWaalsContact OG-CD1 3.28Å; S19-I46 WeakPolarHBondContact OG-CD1 3.39Å |
| 20 | E | 43.6 | Very low | 45 | Very low | 172 Ų | 172 | 111.9 Ų | 111.9 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -28.5 | -175.8 | -158.6 | 176.6 | 98.9 | 0 | 0 | 112.8 | Y18 | Y18-E20 PolarHBondContact O-N 3.01Š|
| 21 | H | 38.7 | Very low | 44.8 | Very low | 152 Ų | 152 | 109.7 Ų | 109.7 | 70% | 0.704 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -17.6 | -175.9 | -100.7 | 71.4 | 0 | 0 | 0 | 114.7 | Y18 | Y18-H21 PolarHBondContact O-N 2.81Š|
| 22 | F | 41.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 54% | 0.544 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -130.2 | 94 | -179.1 | -59.5 | -81.4 | 0 | 0 | 0 | 108.5 | Y18 I24 | Y18-F22 HydrophobicContact CD1-CD2 4.19Å; Y18-F22 HydrophobicContact CD1-CE2 4.2Å; Y18-F22 PolarHBondContact O-N 2.78Å; F22-I24 VanDerWaalsContact C-N 3.33Å; F22-I24 PolarHBondContact O-N 3.07Å |
| 23 | S | 43.4 | Very low | 44.4 | Very low | 71 Ų | 71 | 114.5 Ų | 114.5 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | | | trans | -62.6 | 97 | 173.3 | 48.7 | 0 | 0 | 0 | 0 | 109 | H25 | S23-H25 VanDerWaalsContact C-N 3.34Å; S23-H25 PolarHBondContact O-CD2 3.24Å; S23-H25 PolarHBondContact O-N 3.28Å; S23-H25 PolarHBondContact OG-NE2 3.21Å |
| 24 | I | 50.9 | Low | 44.3 | Very low | 35 Ų | 35 | 111.7 Ų | 111.7 | 18% | 0.179 | 55% | 0.548 | C | S | . | . | | | trans | -62.2 | 102.5 | 167.7 | -64.9 | 163.1 | 0 | 0 | 0 | 105.5 | F22 C26 I46 | F22-I24 VanDerWaalsContact C-N 3.33Å; F22-I24 PolarHBondContact O-N 3.07Å; I24-C26 PolarHBondContact O-N 3.11Å; I24-I46 HydrophobicContact CD1-CD1 3.72Å; I24-I46 HydrophobicContact CD1-CG1 3.94Å; I24-I46 HydrophobicContact CD1-CG2 4.17Å |
| 25 | H | 50.4 | Low | 44 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 45% | 0.454 | 54% | 0.543 | S | S | . | . | | | trans | -72.5 | 79.9 | 177.3 | -78.7 | -93.7 | 0 | 0 | 0 | 108.8 | S23 C27 | S23-H25 VanDerWaalsContact C-N 3.34Å; S23-H25 PolarHBondContact O-CD2 3.24Å; S23-H25 PolarHBondContact O-N 3.28Å; S23-H25 PolarHBondContact OG-NE2 3.21Å; H25-C27 PolarHBondContact O-N 3.38Å |
| 26 | C | 46.8 | Very low | 44.1 | Very low | 25 Ų | 25 | 114.5 Ų | 114.5 | 17% | 0.169 | 57% | 0.57 | C | S | . | * | | | trans | -59.7 | 109.2 | 155.3 | -93.6 | 0 | 0 | 0 | 0 | 106.3 | I24 P28 C65 | I24-C26 PolarHBondContact O-N 3.11Å; C26-P28 WeakPolarHBondContact O-CD 3.4Å; C26-P28 VanDerWaalsContact O-N 3.14Å; C26-C65 VanDerWaalsContact SG-SG 3.61Å |
| 27 | C | 45.1 | Very low | 44 | Very low | 38 Ų | 38 | 114.4 Ų | 114.4 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | | | trans | -43.6 | 121.8 | -176 | -81.6 | 0 | 0 | 0 | 0 | 111.5 | H25 R69 | H25-C27 PolarHBondContact O-N 3.38Å; C27-R69 VanDerWaalsContact SG-CZ 3.6Å; C27-R69 PolarHBondContact SG-NE 3.31Å; C27-R69 PolarHBondContact SG-NH2 2.85Å |
| 28 | P | 47.2 | Very low | 44.1 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | | | trans | -67.1 | 129.6 | 157.3 | 28.2 | -28.1 | 0 | 0 | 0 | 106.8 | C26 | C26-P28 WeakPolarHBondContact O-CD 3.4Å; C26-P28 VanDerWaalsContact O-N 3.14Å |
| 29 | P | 44.8 | Very low | 44.3 | Very low | 63 Ų | 63 | 107.3 Ų | 107.3 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | | | trans | -70.5 | 141.2 | 165 | 31.2 | -28.8 | 0 | 0 | 0 | 107.6 | T31 | P29-T31 HydrophobicContact CB-CG2 4.36Å; P29-T31 PolarHBondContact O-N 3.33Å |
| 30 | F | 38.6 | Very low | 44 | Very low | 222 Ų | 222 | 108.7 Ų | 108.7 | 97% | 0.974 | 55% | 0.55 | S | S | * | . | | | trans | -58.8 | 91.2 | 160.1 | -113.6 | -96 | 0 | 0 | 0 | 107.4 | | |
| 31 | T | 41.4 | Very low | 43.9 | Very low | 78 Ų | 78 | 106.1 Ų | 106.1 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | | | trans | -137.4 | 117.4 | 166.2 | 51.7 | 0 | 0 | 0 | 0 | 107.3 | P29 L33 | P29-T31 HydrophobicContact CB-CG2 4.36Å; P29-T31 PolarHBondContact O-N 3.33Å; T31-L33 PolarHBondContact O-N 2.98Å |
| 32 | F | 41.6 | Very low | 44.1 | Very low | 212 Ų | 212 | 103.7 Ų | 103.7 | 93% | 0.93 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -54.4 | 0.1 | 176.3 | -165.4 | -101.6 | 0 | 0 | 0 | 114.7 | | |
| 33 | L | 43.5 | Very low | 44.3 | Very low | 148 Ų | 148 | 103 Ų | 103 | 78% | 0.775 | 52% | 0.523 | S | S | * | . | | | trans | -133.2 | 96.2 | 171.1 | -75.4 | 97.2 | 0 | 0 | 0 | 109.4 | T31 | T31-L33 PolarHBondContact O-N 2.98Š|
| 34 | N | 39.8 | Very low | 44.4 | Very low | 44 Ų | 44 | 107.5 Ų | 107.5 | 24% | 0.235 | 53% | 0.53 | C | S | . | . | | | trans | -149.3 | 104 | 158.9 | -143.9 | -97.9 | 0 | 0 | 0 | 108.7 | K36 I39 | N34-K36 PolarHBondContact O-N 2.86Å; N34-I39 HydrophobicContact CB-CD1 4.13Å; N34-I39 HydrophobicContact CB-CG1 4.09Å; N34-I39 VanDerWaalsContact OD1-CG1 3.26Å; N34-I39 WeakPolarHBondContact OD1-CG1 3.46Å |
| 35 | S | 40.1 | Very low | 44.2 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | | | trans | -54.4 | 128 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | K37 E38 | S35-K37 PolarHBondContact O-N 2.83Å; S35-E38 PolarHBondContact O-N 3.49Å |
| 36 | K | 47.5 | Very low | 44.4 | Very low | 191 Ų | 191 | 106.9 Ų | 106.9 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -42.4 | -19.1 | -173.9 | -161.8 | 175.5 | -177.9 | -179.9 | 0 | 116 | N34 V40 | N34-K36 PolarHBondContact O-N 2.86Å; K36-V40 VanDerWaalsContact O-CG2 3.24Å; K36-V40 WeakPolarHBondContact O-CG2 3.29Å |
| 37 | K | 46.5 | Very low | 44.5 | Very low | 186 Ų | 186 | 106.8 Ų | 106.8 | 81% | 0.809 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76 | -35.3 | 177.4 | -145.3 | 82.8 | 173.4 | 178.7 | 0 | 113.6 | S35 D41 | S35-K37 PolarHBondContact O-N 2.83Å; K37-D41 PolarHBondContact O-N 3.01Å |
| 38 | E | 45.2 | Very low | 44.5 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -84.9 | -29.1 | -171.3 | -154.2 | -169.8 | 120.5 | 0 | 0 | 112.5 | S35 V40 D41 R42 | S35-E38 PolarHBondContact O-N 3.49Å; E38-V40 VanDerWaalsContact C-N 3.31Å; E38-D41 PolarHBondContact O-N 3.31Å; E38-R42 PolarHBondContact O-N 2.99Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.55Å; E38-R42 IonicContact OE1-NE 3.28Å; E38-R42 IonicContact OE1-NH2 2.65Å; E38-R42 PolarHBondContact OE1-NH2 3.33Å |
| 39 | I | 47.1 | Very low | 44.4 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -36.3 | 171 | -57.6 | 179.9 | 0 | 0 | 0 | 111 | N34 K43 | N34-I39 HydrophobicContact CB-CD1 4.13Å; N34-I39 HydrophobicContact CB-CG1 4.09Å; N34-I39 VanDerWaalsContact OD1-CG1 3.26Å; N34-I39 WeakPolarHBondContact OD1-CG1 3.46Å; I39-K43 WeakPolarHBondContact O-CB 3.44Å; I39-K43 PolarHBondContact O-N 3.31Å |
| 40 | V | 40.7 | Very low | 44.9 | Very low | 74 Ų | 74 | 112.7 Ų | 112.7 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -47.4 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | K36 E38 R42 K43 Y44 | K36-V40 VanDerWaalsContact O-CG2 3.24Å; K36-V40 WeakPolarHBondContact O-CG2 3.29Å; E38-V40 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 2.68Å; V40-K43 WeakPolarHBondContact O-CB 3.26Å; V40-K43 PolarHBondContact O-N 3.06Å; V40-K43 VanDerWaalsContact O-N 3.08Å; V40-Y44 HydrophobicContact CG1-CD2 3.95Å; V40-Y44 HydrophobicContact CG1-CE2 3.58Å; V40-Y44 WeakPolarHBondContact O-CD2 3.48Å; V40-Y44 PolarHBondContact O-N 3.05Å |
| 41 | D | 41 | Very low | 46.1 | Very low | 117 Ų | 117 | 102.7 Ų | 102.7 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 178.1 | -155.7 | -98.9 | 0 | 0 | 0 | 112.5 | K37 E38 K43 Y44 S45 | K37-D41 PolarHBondContact O-N 3.01Å; E38-D41 PolarHBondContact O-N 3.31Å; D41-K43 VanDerWaalsContact C-N 3.34Å; D41-K43 PolarHBondContact O-N 3.14Å; D41-Y44 PolarHBondContact O-N 2.88Å; D41-Y44 VanDerWaalsContact O-N 3.16Å; D41-S45 PolarHBondContact O-N 2.65Å |
| 42 | R | 42.7 | Very low | 47.1 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -24.3 | 173.7 | -72.7 | -169.6 | -147.3 | 152.5 | 2 | 114.9 | E38 V40 Y44 S45 | E38-R42 PolarHBondContact O-N 2.99Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.55Å; E38-R42 IonicContact OE1-NE 3.28Å; E38-R42 IonicContact OE1-NH2 2.65Å; E38-R42 PolarHBondContact OE1-NH2 3.33Å; V40-R42 PolarHBondContact O-N 2.68Å; R42-Y44 VanDerWaalsContact C-N 3.26Å; R42-S45 PolarHBondContact O-OG 3.18Å |
| 43 | K | 46.5 | Very low | 48 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -29 | 172.6 | -121.2 | -174.5 | 177.9 | -166 | 0 | 111.2 | I39 V40 D41 | I39-K43 WeakPolarHBondContact O-CB 3.44Å; I39-K43 PolarHBondContact O-N 3.31Å; V40-K43 WeakPolarHBondContact O-CB 3.26Å; V40-K43 PolarHBondContact O-N 3.06Å; V40-K43 VanDerWaalsContact O-N 3.08Å; D41-K43 VanDerWaalsContact C-N 3.34Å; D41-K43 PolarHBondContact O-N 3.14Å |
| 44 | Y | 44.3 | Very low | 48.9 | Very low | 165 Ų | 165 | 94.3 Ų | 94.3 | 65% | 0.647 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -97.9 | -16.7 | -179.3 | -65.7 | -67.5 | 0 | 0 | 0 | 114 | V40 D41 R42 I46 | V40-Y44 HydrophobicContact CG1-CD2 3.95Å; V40-Y44 HydrophobicContact CG1-CE2 3.58Å; V40-Y44 WeakPolarHBondContact O-CD2 3.48Å; V40-Y44 PolarHBondContact O-N 3.05Å; D41-Y44 PolarHBondContact O-N 2.88Å; D41-Y44 VanDerWaalsContact O-N 3.16Å; R42-Y44 VanDerWaalsContact C-N 3.26Å; Y44-I46 PolarHBondContact O-N 3.29Å |
| 45 | S | 48.1 | Very low | 49.9 | Very low | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | | | trans | -76.5 | 65.7 | 170.2 | 78 | 0 | 0 | 0 | 0 | 110.7 | D41 R42 C47 | D41-S45 PolarHBondContact O-N 2.65Å; R42-S45 PolarHBondContact O-OG 3.18Å; S45-C47 PolarHBondContact O-N 3.05Å |
| 46 | I | 53.1 | Low | 51 | Low | 57 Ų | 57 | 104.7 Ų | 104.7 | 29% | 0.292 | 49% | 0.494 | S | S | . | . | | | trans | -54.9 | 117.4 | 169.4 | -63.5 | 170.8 | 0 | 0 | 0 | 106.5 | S19 I24 Y44 K48 | S19-I46 VanDerWaalsContact OG-CD1 3.28Å; S19-I46 WeakPolarHBondContact OG-CD1 3.39Å; I24-I46 HydrophobicContact CD1-CD1 3.72Å; I24-I46 HydrophobicContact CD1-CG1 3.94Å; I24-I46 HydrophobicContact CD1-CG2 4.17Å; Y44-I46 PolarHBondContact O-N 3.29Å; I46-K48 PolarHBondContact O-N 3.17Å |
| 47 | C | 50.5 | Low | 51.7 | Low | 23 Ų | 23 | 98.7 Ų | 98.7 | 16% | 0.155 | 47% | 0.469 | C | S | . | . | | | trans | -49.9 | 115.2 | -178 | -53.3 | 0 | 0 | 0 | 0 | 108.4 | S45 S49 G50 C62 | S45-C47 PolarHBondContact O-N 3.05Å; C47-S49 PolarHBondContact O-N 3.08Å; C47-G50 PolarHBondContact O-N 3.22Å; C47-C62 HydrophobicContact CB-CB 3.59Å; C47-C62 WeakPolarHBondContact CB-SG 3.5Å; C47-C62 WeakPolarHBondContact SG-CB 3.48Å; C47-C62 CovalentContact SG-SG 2.05Å; C47-C62 PolarHBondContact SG-SG 3.04Å |
| 48 | K | 44.7 | Very low | 52.4 | Low | 204 Ų | 204 | 97 Ų | 97 | 89% | 0.887 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -17.2 | -175.1 | -164.4 | 171.7 | -176.8 | 176.3 | 0 | 113.5 | I46 | I46-K48 PolarHBondContact O-N 3.17Š|
| 49 | S | 45.6 | Very low | 53.1 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 63% | 0.629 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.7 | 178.7 | 30.5 | 0 | 0 | 0 | 0 | 115.3 | C47 C63 | C47-S49 PolarHBondContact O-N 3.08Å; S49-C63 PolarHBondContact O-SG 3.1Å; S49-C63 VanDerWaalsContact O-SG 3.37Å |
| 50 | G | 53.8 | Low | 53.8 | Low | 16 Ų | 16 | 98.2 Ų | 98.2 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | | | trans | 96.9 | 166.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C47 C63 | C47-G50 PolarHBondContact O-N 3.22Å; G50-C63 PolarHBondContact O-N 2.72Å; G50-C63 PolarHBondContact O-SG 3.33Å; G50-C63 VanDerWaalsContact O-SG 3.41Å |
| 51 | C | 64.7 | Low | 55 | Low | 13 Ų | 13 | 95 Ų | 95 | 9% | 0.088 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.3 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | L12 W60 I61 | L12-C51 HydrophobicContact CD1-CB 4.27Å; C51-W60 HydrophobicContact CB-CE3 4.41Å; C51-I61 CarbonylContact C-O 3.6Å; C51-I61 WeakPolarHBondContact CA-O 3.45Å |
| 52 | F | 61.6 | Low | 56.3 | Low | 95 Ų | 95 | 89.4 Ų | 89.4 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.1 | 177.2 | -63.6 | -77.7 | 0 | 0 | 0 | 110.4 | I61 C63 | F52-I61 PolarHBondContact N-O 2.9Å; F52-I61 PolarHBondContact O-N 3.02Å; F52-C63 WeakPolarHBondContact CE2-SG 3.4Å |
| 53 | Y | 62 | Low | 57.3 | Low | 108 Ų | 108 | 85.6 Ų | 85.6 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.2 | 173.7 | -177.9 | -105.6 | 0 | 0 | 0 | 110.8 | K55 E58 W60 | Y53-K55 HydrophobicContact CE1-CB 4.21Å; Y53-E58 WeakPolarHBondContact CE2-O 3.24Å; Y53-E58 WeakPolarHBondContact OH-CA 3.3Å; Y53-W60 AromaticContact CD2-CD1 3.89Å; Y53-W60 HydrophobicContact CD2-CD2 4.1Å; Y53-W60 AromaticContact CD2-CE2 3.73Å; Y53-W60 HydrophobicContact CD2-CG 4.21Å; Y53-W60 HydrophobicContact CD2-CZ2 4.22Å; Y53-W60 AromaticContact CD2-NE1 3.58Å; Y53-W60 HydrophobicContact CG-CZ2 4.42Å |
| 54 | Q | 62.5 | Low | 58 | Low | 58 Ų | 58 | 83 Ų | 83 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 96.9 | 178.5 | -178 | 145.8 | 73.8 | 0 | 0 | 110.1 | K56 E57 E58 D59 I61 | Q54-K56 PolarHBondContact O-N 3.49Å; Q54-E57 PolarHBondContact O-N 2.88Å; Q54-E57 VanDerWaalsContact O-N 3.08Å; Q54-E57 PolarHBondContact OE1-OE2 3.28Å; Q54-E58 PolarHBondContact O-N 3.09Å; Q54-D59 PolarHBondContact N-O 3.08Å; Q54-D59 PolarHBondContact O-N 2.96Å; Q54-I61 HydrophobicContact CB-CD1 3.97Å; Q54-I61 HydrophobicContact CG-CD1 4.39Å |
| 55 | K | 60.1 | Low | 59 | Low | 183 Ų | 183 | 75.9 Ų | 75.9 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.2 | -177.3 | -168.7 | 176.6 | -177.7 | -177.8 | 0 | 115 | Y53 E57 | Y53-K55 HydrophobicContact CE1-CB 4.21Å; K55-E57 VanDerWaalsContact C-N 3.33Å |
| 56 | K | 63.5 | Low | 59.9 | Low | 175 Ų | 175 | 76.7 Ų | 76.7 | 76% | 0.761 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26.6 | -178.7 | -171.8 | 171.4 | -177.9 | 172.9 | 0 | 113.4 | Q54 | Q54-K56 PolarHBondContact O-N 3.49Š|
| 57 | E | 61.5 | Low | 60.4 | Low | 65 Ų | 65 | 81.4 Ų | 81.4 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 2.7 | -177.9 | -69.4 | 174.1 | 74.7 | 0 | 0 | 111.1 | Q54 K55 D59 R69 R73 | Q54-E57 PolarHBondContact O-N 2.88Å; Q54-E57 VanDerWaalsContact O-N 3.08Å; Q54-E57 PolarHBondContact OE1-OE2 3.28Å; K55-E57 VanDerWaalsContact C-N 3.33Å; E57-D59 HydrophobicContact CB-CB 4.3Å; E57-D59 PolarHBondContact O-N 2.77Å; E57-D59 VanDerWaalsContact O-N 3.09Å; E57-R69 VanDerWaalsContact CD-NH1 3.28Å; E57-R69 IonicContact OE1-CZ 3.82Å; E57-R69 IonicContact OE1-NH1 3.82Å; E57-R69 PolarHBondContact OE1-NH1 2.8Å; E57-R69 IonicContact OE2-NH1 2.77Å; E57-R69 PolarHBondContact OE2-NH1 3.43Å; E57-R73 IonicContact OE1-NH2 3.92Å; E57-R73 IonicContact OE2-CZ 3.84Å; E57-R73 IonicContact OE2-NH2 2.68Å; E57-R73 PolarHBondContact OE2-NH2 3.01Å |
| 58 | E | 60.9 | Low | 61.1 | Low | 151 Ų | 151 | 83.4 Ų | 83.4 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 26.3 | -174.7 | -61 | -178.3 | 84.1 | 0 | 0 | 114.2 | Y53 Q54 | Y53-E58 WeakPolarHBondContact CE2-O 3.24Å; Y53-E58 WeakPolarHBondContact OH-CA 3.3Å; Q54-E58 PolarHBondContact O-N 3.09Å |
| 59 | D | 60 | Low | 62 | Low | 63 Ų | 63 | 75.6 Ų | 75.6 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 148 | -170.5 | -86.2 | -37 | 0 | 0 | 0 | 113.1 | Q54 E57 | Q54-D59 PolarHBondContact N-O 3.08Å; Q54-D59 PolarHBondContact O-N 2.96Å; E57-D59 HydrophobicContact CB-CB 4.3Å; E57-D59 PolarHBondContact O-N 2.77Å; E57-D59 VanDerWaalsContact O-N 3.09Å |
| 60 | W | 61.5 | Low | 62.9 | Low | 130 Ų | 130 | 75.2 Ų | 75.2 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.2 | 170.4 | -71.2 | 88.1 | 0 | 0 | 0 | 110.9 | C51 Y53 | C51-W60 HydrophobicContact CB-CE3 4.41Å; Y53-W60 AromaticContact CD2-CD1 3.89Å; Y53-W60 HydrophobicContact CD2-CD2 4.1Å; Y53-W60 AromaticContact CD2-CE2 3.73Å; Y53-W60 HydrophobicContact CD2-CG 4.21Å; Y53-W60 HydrophobicContact CD2-CZ2 4.22Å; Y53-W60 AromaticContact CD2-NE1 3.58Å; Y53-W60 HydrophobicContact CG-CZ2 4.42Å |
| 61 | I | 67 | Low | 63 | Low | 6 Ų | 6 | 77.7 Ų | 77.7 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135 | -174.1 | -67.3 | 167.6 | 0 | 0 | 0 | 109.9 | C51 F52 Q54 C65 Q66 R69 | C51-I61 CarbonylContact C-O 3.6Å; C51-I61 WeakPolarHBondContact CA-O 3.45Å; F52-I61 PolarHBondContact N-O 2.9Å; F52-I61 PolarHBondContact O-N 3.02Å; Q54-I61 HydrophobicContact CB-CD1 3.97Å; Q54-I61 HydrophobicContact CG-CD1 4.39Å; I61-C65 HydrophobicContact CG2-CB 3.67Å; I61-Q66 HydrophobicContact CG2-CB 4.1Å; I61-R69 VanDerWaalsContact CD1-NH1 3.33Å |
| 62 | C | 67.4 | Low | 62.8 | Low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 156.2 | 174.7 | 108.7 | 0 | 0 | 0 | 0 | 112.2 | C47 A64 C65 Q66 | C47-C62 HydrophobicContact CB-CB 3.59Å; C47-C62 WeakPolarHBondContact CB-SG 3.5Å; C47-C62 WeakPolarHBondContact SG-CB 3.48Å; C47-C62 CovalentContact SG-SG 2.05Å; C47-C62 PolarHBondContact SG-SG 3.04Å; C62-A64 VanDerWaalsContact C-N 3.29Å; C62-A64 PolarHBondContact O-N 3.48Å; C62-A64 PolarHBondContact SG-N 2.97Å; C62-C65 CarbonylContact O-C 3.59Å; C62-C65 WeakPolarHBondContact O-CB 3.17Å; C62-C65 PolarHBondContact O-N 2.83Å; C62-C65 PolarHBondContact SG-N 3.1Å; C62-Q66 PolarHBondContact O-N 2.89Å |
| 63 | C | 64.3 | Low | 62.7 | Low | 23 Ų | 23 | 85.3 Ų | 85.3 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -48.9 | -41.4 | 176.9 | -71.7 | 0 | 0 | 0 | 0 | 115 | S49 G50 F52 Q66 K67 | S49-C63 PolarHBondContact O-SG 3.1Å; S49-C63 VanDerWaalsContact O-SG 3.37Å; G50-C63 PolarHBondContact O-N 2.72Å; G50-C63 PolarHBondContact O-SG 3.33Å; G50-C63 VanDerWaalsContact O-SG 3.41Å; F52-C63 WeakPolarHBondContact CE2-SG 3.4Å; C63-Q66 PolarHBondContact O-N 3.28Å; C63-K67 PolarHBondContact O-N 3.48Å |
| 64 | A | 60.5 | Low | 62.4 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | C62 T68 | C62-A64 VanDerWaalsContact C-N 3.29Å; C62-A64 PolarHBondContact O-N 3.48Å; C62-A64 PolarHBondContact SG-N 2.97Å; A64-T68 PolarHBondContact O-N 3.17Å; A64-T68 PolarHBondContact O-OG1 3.25Å; A64-T68 VanDerWaalsContact O-OG1 3.08Å |
| 65 | C | 65.3 | Low | 61.8 | Low | 16 Ų | 16 | 90.1 Ų | 90.1 | 11% | 0.108 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.3 | -32.4 | 176.2 | -66 | 0 | 0 | 0 | 0 | 112.3 | C26 I61 C62 T68 R69 | C26-C65 VanDerWaalsContact SG-SG 3.61Å; I61-C65 HydrophobicContact CG2-CB 3.67Å; C62-C65 CarbonylContact O-C 3.59Å; C62-C65 WeakPolarHBondContact O-CB 3.17Å; C62-C65 PolarHBondContact O-N 2.83Å; C62-C65 PolarHBondContact SG-N 3.1Å; C65-T68 WeakPolarHBondContact CA-OG1 2.99Å; C65-T68 PolarHBondContact O-OG1 2.84Å; C65-T68 VanDerWaalsContact O-OG1 3.04Å; C65-R69 VanDerWaalsContact O-CB 3.29Å; C65-R69 WeakPolarHBondContact O-CB 3.34Å; C65-R69 VanDerWaalsContact O-CG 3.3Å; C65-R69 WeakPolarHBondContact O-CG 3.41Å; C65-R69 PolarHBondContact O-N 2.89Å |
| 66 | Q | 67.3 | Low | 60.8 | Low | 81 Ų | 81 | 84.8 Ų | 84.8 | 38% | 0.379 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.4 | -170 | -175.8 | 34.6 | 0 | 0 | 111.3 | I61 C62 C63 R69 T70 | I61-Q66 HydrophobicContact CG2-CB 4.1Å; C62-Q66 PolarHBondContact O-N 2.89Å; C63-Q66 PolarHBondContact O-N 3.28Å; Q66-R69 PolarHBondContact O-N 3.43Å; Q66-T70 WeakPolarHBondContact O-CG2 3.44Å; Q66-T70 PolarHBondContact O-N 3.37Å; Q66-T70 PolarHBondContact O-OG1 3.41Å |
| 67 | K | 63.8 | Low | 60 | Low | 156 Ų | 156 | 81.9 Ų | 81.9 | 68% | 0.678 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | -179.5 | -69.6 | -179.3 | -179.3 | -175.5 | 0 | 112.9 | C63 T70 S71 | C63-K67 PolarHBondContact O-N 3.48Å; K67-T70 WeakPolarHBondContact CA-OG1 3.4Å; K67-T70 PolarHBondContact O-OG1 3.01Å; K67-T70 VanDerWaalsContact O-OG1 3.05Å; K67-S71 WeakPolarHBondContact O-CB 3.28Å; K67-S71 PolarHBondContact O-N 3.28Å |
| 68 | T | 64.4 | Low | 59 | Low | 64 Ų | 64 | 87.4 Ų | 87.4 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | A64 C65 R72 | A64-T68 PolarHBondContact O-N 3.17Å; A64-T68 PolarHBondContact O-OG1 3.25Å; A64-T68 VanDerWaalsContact O-OG1 3.08Å; C65-T68 WeakPolarHBondContact CA-OG1 2.99Å; C65-T68 PolarHBondContact O-OG1 2.84Å; C65-T68 VanDerWaalsContact O-OG1 3.04Å; T68-R72 WeakPolarHBondContact O-CG 3.23Å; T68-R72 PolarHBondContact O-N 3.08Å |
| 69 | R | 64.5 | Low | 58.2 | Low | 40 Ų | 40 | 89.7 Ų | 89.7 | 15% | 0.151 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.5 | -80 | -178.4 | 174.4 | -142.7 | 3.1 | 112.7 | C27 E57 I61 C65 Q66 S71 R72 R73 | C27-R69 VanDerWaalsContact SG-CZ 3.6Å; C27-R69 PolarHBondContact SG-NE 3.31Å; C27-R69 PolarHBondContact SG-NH2 2.85Å; E57-R69 VanDerWaalsContact CD-NH1 3.28Å; E57-R69 IonicContact OE1-CZ 3.82Å; E57-R69 IonicContact OE1-NH1 3.82Å; E57-R69 PolarHBondContact OE1-NH1 2.8Å; E57-R69 IonicContact OE2-NH1 2.77Å; E57-R69 PolarHBondContact OE2-NH1 3.43Å; I61-R69 VanDerWaalsContact CD1-NH1 3.33Å; C65-R69 VanDerWaalsContact O-CB 3.29Å; C65-R69 WeakPolarHBondContact O-CB 3.34Å; C65-R69 VanDerWaalsContact O-CG 3.3Å; C65-R69 WeakPolarHBondContact O-CG 3.41Å; C65-R69 PolarHBondContact O-N 2.89Å; Q66-R69 PolarHBondContact O-N 3.43Å; R69-S71 VanDerWaalsContact C-N 3.35Å; R69-R72 PolarHBondContact O-N 3.43Å; R69-R73 WeakPolarHBondContact O-CG 3.09Å; R69-R73 PolarHBondContact O-N 3.4Å |
| 70 | T | 63.6 | Low | 57.3 | Low | 83 Ų | 83 | 92 Ų | 92 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | Q66 K67 R72 R73 A74 | Q66-T70 WeakPolarHBondContact O-CG2 3.44Å; Q66-T70 PolarHBondContact O-N 3.37Å; Q66-T70 PolarHBondContact O-OG1 3.41Å; K67-T70 WeakPolarHBondContact CA-OG1 3.4Å; K67-T70 PolarHBondContact O-OG1 3.01Å; K67-T70 VanDerWaalsContact O-OG1 3.05Å; T70-R72 PolarHBondContact O-N 2.95Å; T70-R73 PolarHBondContact O-N 2.05Å; T70-A74 WeakPolarHBondContact O-CB 2.87Å; T70-A74 PolarHBondContact O-N 2.83Å |
| 71 | S | 57.2 | Low | 56.3 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | K67 R69 A74 K75 | K67-S71 WeakPolarHBondContact O-CB 3.28Å; K67-S71 PolarHBondContact O-N 3.28Å; R69-S71 VanDerWaalsContact C-N 3.35Å; S71-A74 PolarHBondContact O-N 3.28Å; S71-K75 PolarHBondContact O-N 2.84Å; S71-K75 VanDerWaalsContact O-N 3.11Å |
| 72 | R | 60.5 | Low | 55.3 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 48% | 0.475 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 175 | -74.2 | -167.4 | -63.6 | -96.8 | 1.4 | 113.3 | T68 R69 T70 A74 K75 S76 | T68-R72 WeakPolarHBondContact O-CG 3.23Å; T68-R72 PolarHBondContact O-N 3.08Å; R69-R72 PolarHBondContact O-N 3.43Å; T70-R72 PolarHBondContact O-N 2.95Å; R72-A74 PolarHBondContact O-N 3.16Å; R72-K75 PolarHBondContact O-N 3.41Å; R72-S76 WeakPolarHBondContact O-CB 3.19Å; R72-S76 PolarHBondContact O-N 2.89Å |
| 73 | R | 58.6 | Low | 54.3 | Low | 142 Ų | 142 | 110.9 Ų | 110.9 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -30.5 | 174.1 | -75.6 | -178.3 | -175.9 | -86.2 | 3.7 | 111.9 | E57 R69 T70 | E57-R73 IonicContact OE1-NH2 3.92Å; E57-R73 IonicContact OE2-CZ 3.84Å; E57-R73 IonicContact OE2-NH2 2.68Å; E57-R73 PolarHBondContact OE2-NH2 3.01Å; R69-R73 WeakPolarHBondContact O-CG 3.09Å; R69-R73 PolarHBondContact O-N 3.4Å; T70-R73 PolarHBondContact O-N 2.05Å |
| 74 | A | 56.8 | Low | 53.5 | Low | 86 Ų | 86 | 115.8 Ų | 115.8 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.6 | -27.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T70 S71 R72 | T70-A74 WeakPolarHBondContact O-CB 2.87Å; T70-A74 PolarHBondContact O-N 2.83Å; S71-A74 PolarHBondContact O-N 3.28Å; R72-A74 PolarHBondContact O-N 3.16Å |
| 75 | K | 49 | Very low | 52.9 | Low | 181 Ų | 181 | 117.8 Ų | 117.8 | 79% | 0.787 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -96.5 | -19 | 178 | -113.3 | 88.9 | 174.7 | -169.7 | 0 | 114.5 | S71 R72 | S71-K75 PolarHBondContact O-N 2.84Å; S71-K75 VanDerWaalsContact O-N 3.11Å; R72-K75 PolarHBondContact O-N 3.41Å |
| 76 | S | 40.1 | Very low | 52.3 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -84.1 | 125 | 178.5 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | R72 Q78 | R72-S76 WeakPolarHBondContact O-CB 3.19Å; R72-S76 PolarHBondContact O-N 2.89Å; S76-Q78 PolarHBondContact O-N 2.98Å |
| 77 | P | 44.8 | Very low | 51.9 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135 | 159.7 | 25.1 | -29.6 | 0 | 0 | 0 | 106.5 | R79 | P77-R79 PolarHBondContact O-N 3.37Š|
| 78 | Q | 42.2 | Very low | 51.3 | Low | 182 Ų | 182 | 121.4 Ų | 121.4 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.8 | 176.5 | -66.9 | -159.1 | -9.5 | 0 | 0 | 107.7 | S76 P80 | S76-Q78 PolarHBondContact O-N 2.98Å; Q78-P80 WeakPolarHBondContact O-CD 3.44Å; Q78-P80 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 43.1 | Very low | 50.5 | Low | 198 Ų | 198 | 122.7 Ų | 122.7 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 122.8 | 167.8 | -173 | 178.1 | 179.4 | -144.2 | 0.2 | 106.3 | P77 K81 | P77-R79 PolarHBondContact O-N 3.37Å; R79-K81 PolarHBondContact O-N 3.04Å |
| 80 | P | 40.5 | Very low | 50 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.8 | -179.8 | -23.6 | 31.6 | 0 | 0 | 0 | 108.3 | Q78 Q82 | Q78-P80 WeakPolarHBondContact O-CD 3.44Å; Q78-P80 VanDerWaalsContact O-N 3.12Å; P80-Q82 PolarHBondContact O-N 3.34Å; P80-Q82 VanDerWaalsContact O-N 3.07Å |
| 81 | K | 41.8 | Very low | 49.2 | Very low | 196 Ų | 196 | 130 Ų | 130 | 85% | 0.852 | 73% | 0.728 | S | S | * | * | | | trans | -45.8 | 121.9 | 166.7 | -74.6 | 173.4 | 175.3 | 174.6 | 0 | 106.2 | R79 Q83 | R79-K81 PolarHBondContact O-N 3.04Å; K81-Q83 VanDerWaalsContact C-N 3.3Å; K81-Q83 PolarHBondContact O-N 2.85Å |
| 82 | Q | 45 | Very low | 48.8 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -56 | 103.5 | 168.3 | -79.1 | -176.1 | -23.4 | 0 | 0 | 106.5 | P80 | P80-Q82 PolarHBondContact O-N 3.34Å; P80-Q82 VanDerWaalsContact O-N 3.07Å |
| 83 | Q | 46.5 | Very low | 47.9 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135.3 | 161.7 | -79.8 | 175.4 | -63.7 | 0 | 0 | 106.3 | K81 A85 | K81-Q83 VanDerWaalsContact C-N 3.3Å; K81-Q83 PolarHBondContact O-N 2.85Å; Q83-A85 PolarHBondContact O-N 3.28Å; Q83-A85 VanDerWaalsContact O-N 3.14Å |
| 84 | P | 49 | Very low | 47.3 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 123.4 | 167.9 | -18.7 | 30.1 | 0 | 0 | 0 | 107.7 | A86 | P84-A86 PolarHBondContact O-N 2.97Š|
| 85 | A | 46.1 | Very low | 46.5 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 127 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109 | Q83 | Q83-A85 PolarHBondContact O-N 3.28Å; Q83-A85 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 53.9 | Low | 46.4 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | P84 | P84-A86 PolarHBondContact O-N 2.97Š|
| 87 | P | 57.8 | Low | 46.6 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 142 | 177 | 26.2 | -33 | 0 | 0 | 0 | 109.7 | A89 | P87-A89 PolarHBondContact O-N 3.4Š|
| 88 | P | 52.6 | Low | 46.3 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136 | 179.5 | 24.9 | -32 | 0 | 0 | 0 | 110.3 | V90 | P88-V90 PolarHBondContact O-N 3.06Š|
| 89 | A | 46.6 | Very low | 46.1 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56 | 131 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | P87 V91 | P87-A89 PolarHBondContact O-N 3.4Å; A89-V91 PolarHBondContact O-N 2.91Å; A89-V91 VanDerWaalsContact O-N 3.08Å |
| 90 | V | 53.3 | Low | 46.7 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | trans | -66.2 | 104.5 | 176 | -154.6 | 0 | 0 | 0 | 0 | 108.1 | P88 R92 | P88-V90 PolarHBondContact O-N 3.06Å; V90-R92 PolarHBondContact O-N 2.94Å; V90-R92 VanDerWaalsContact O-N 3.17Å |
| 91 | V | 48.1 | Very low | 46.8 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -74.5 | 104.4 | 168.3 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | A89 A93 | A89-V91 PolarHBondContact O-N 2.91Å; A89-V91 VanDerWaalsContact O-N 3.08Å; V91-A93 PolarHBondContact O-N 3.18Å |
| 92 | R | 49.3 | Very low | 47 | Very low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -71.9 | 114.3 | 169.9 | -78.6 | 175.5 | 128.6 | -179.3 | -2.7 | 108.9 | V90 | V90-R92 PolarHBondContact O-N 2.94Å; V90-R92 VanDerWaalsContact O-N 3.17Å |
| 93 | A | 40.8 | Very low | 46.8 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84 | 145.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V91 | V91-A93 PolarHBondContact O-N 3.18Š|
| 94 | P | 46.9 | Very low | 46.7 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 169 | -176.5 | 33.5 | -33.1 | 0 | 0 | 0 | 113.2 | | |
| 95 | A | 40.1 | Very low | 46.5 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 155.5 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 96 | K | 46.4 | Very low | 46.5 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 163.4 | 176.5 | -138.3 | 159.4 | -177.8 | 172.9 | 0 | 114.2 | | |
| 97 | P | 43.2 | Very low | 46.3 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | | -141.2 | 149.3 | 113.5 | 33.1 | -17.3 | 0 | 0 | 0 | 116.8 | | |
| 98 | R | 39.1 | Very low | 45.8 | Very low | 240 Ų | 240 | 150.8 Ų | 150.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | 65.2 | 114.6 | 150.6 | -72.9 | 177.7 | 170.4 | -123.9 | 0 | 121.2 | | |
| 99 | S | 37.9 | Very low | 45.4 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -91.3 | -174.8 | 158 | -32 | 0 | 0 | 0 | 0 | 110.7 | | |
| 100 | P | 55 | Low | 45.7 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | cis | -136.3 | -166 | -14.9 | 39.6 | -17.5 | 0 | 0 | 0 | 113 | | |
| 101 | P | 44.5 | Very low | 45.6 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | -141.1 | 138.2 | 80.6 | 34 | -14.7 | 0 | 0 | 0 | 116.6 | | |
| 102 | R | 45.6 | Very low | 45.6 | Very low | 240 Ų | 240 | 154.5 Ų | 154.5 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | 16.7 | 115.9 | 136 | -159.6 | 177.1 | -167.1 | -129.5 | 6.7 | 120 | | |
| 103 | S | 39.9 | Very low | 45.5 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -163.4 | 140.6 | 145.4 | -137.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 104 | E | 45.8 | Very low | 46 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | cis | -153.8 | 169.6 | -19.8 | -153.2 | -157.6 | 113 | 0 | 0 | 103.6 | | |
| 105 | R | 44.3 | Very low | 46.1 | Very low | 219 Ų | 219 | 154 Ų | 154 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -60.3 | 143.9 | -176 | -77.9 | 164.8 | 153.9 | -134.1 | -1 | 112.5 | | |
| 106 | Q | 45.1 | Very low | 46.5 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | | -153.7 | 130.7 | 121.3 | -91.8 | -129.8 | -33.5 | 0 | 0 | 111.8 | | |
| 107 | P | 49.4 | Very low | 46.7 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -99.7 | 128.3 | 170.6 | 34.6 | -24.3 | 0 | 0 | 0 | 110.1 | | |
| 108 | R | 47.8 | Very low | 47 | Very low | 227 Ų | 227 | 158.5 Ų | 158.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -142.1 | 122.2 | 155.4 | -71.4 | -166.7 | 179.1 | -100.6 | -0.5 | 110.8 | | |
| 109 | S | 45 | Very low | 47.6 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 171.9 | -175.5 | -44.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 110 | P | 52.6 | Low | 48.5 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 160.5 | -169.1 | 37.2 | -31.7 | 0 | 0 | 0 | 112.4 | | |
| 111 | P | 51.8 | Low | 48.5 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 116 | 154.4 | 31.6 | -24.1 | 0 | 0 | 0 | 110.5 | | |
| 112 | R | 48 | Very low | 48.7 | Very low | 213 Ų | 213 | 157.7 Ų | 157.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126 | 157.5 | 177.6 | -179.1 | -175 | -112 | 1.7 | 107.9 | | |
| 113 | S | 47.1 | Very low | 48.7 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -155.9 | 88.5 | 159.6 | -133.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 114 | E | 51.5 | Low | 49 | Very low | 123 Ų | 123 | 154 Ų | 154 | 58% | 0.575 | 78% | 0.775 | S | S | * | * | | | | 46.4 | 108.1 | 94.9 | -89.1 | -101.1 | 90.2 | 0 | 0 | 114.3 | | |
| 115 | R | 48.3 | Very low | 49.2 | Very low | 207 Ų | 207 | 157.2 Ų | 157.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | 56.8 | 113.6 | 145.9 | -76.8 | 173.6 | 172.1 | -106.9 | -1.9 | 120.2 | | |
| 116 | Q | 48.4 | Very low | 49.4 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | | -150 | 130.4 | 113.6 | -92.3 | -142.1 | -44.9 | 0 | 0 | 111.7 | | |
| 117 | P | 50.7 | Low | 49.5 | Very low | 113 Ų | 113 | 152 Ų | 152 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -81.6 | 114 | 163.6 | 31.2 | -25.9 | 0 | 0 | 0 | 108.9 | S119 | P117-S119 PolarHBondContact O-N 2.95Š|
| 118 | R | 49.8 | Very low | 49.4 | Very low | 217 Ų | 217 | 157.3 Ų | 157.3 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | -88.8 | 103.1 | 170.8 | -77.6 | -176 | 177.3 | -105 | -0.9 | 109.7 | | |
| 119 | S | 51.6 | Low | 49.5 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 49.6 | 134.5 | 148.7 | -49.6 | 0 | 0 | 0 | 0 | 120.7 | P117 | P117-S119 PolarHBondContact O-N 2.95Š|
| 120 | P | 57.3 | Low | 49.9 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -71.7 | 146 | 170.7 | 31.2 | -33.3 | 0 | 0 | 0 | 110.9 | R122 | P120-R122 PolarHBondContact O-N 3.49Š|
| 121 | P | 53.5 | Low | 49.5 | Very low | 133 Ų | 133 | 152 Ų | 152 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -71.4 | 96.7 | 164.2 | 29.1 | -30.7 | 0 | 0 | 0 | 108.8 | S123 | P121-S123 PolarHBondContact O-N 3.07Š|
| 122 | R | 49.5 | Very low | 49.2 | Very low | 212 Ų | 212 | 155.5 Ų | 155.5 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -81.5 | 99.9 | 161.3 | -162.7 | 175.6 | -170.8 | -114.7 | -1.4 | 108.1 | P120 | P120-R122 PolarHBondContact O-N 3.49Š|
| 123 | S | 44.8 | Very low | 49 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -146.3 | 81.9 | 152.8 | -85.7 | 0 | 0 | 0 | 0 | 107.3 | P121 R125 | P121-S123 PolarHBondContact O-N 3.07Å; S123-R125 PolarHBondContact O-N 2.86Å |
| 124 | E | 48 | Very low | 49.2 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | trans | -48.5 | 113.6 | 156.6 | -77.7 | -152.3 | 100 | 0 | 0 | 108.4 | Q126 | E124-Q126 VanDerWaalsContact C-N 3.32Å; E124-Q126 PolarHBondContact O-N 3.2Å |
| 125 | R | 48.3 | Very low | 49.1 | Very low | 244 Ų | 244 | 156.4 Ų | 156.4 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -62.6 | 100.6 | 161 | -79.2 | 177.9 | 174 | -117.8 | 0.3 | 106.6 | S123 | S123-R125 PolarHBondContact O-N 2.86Š|
| 126 | Q | 48.6 | Very low | 49.3 | Very low | 146 Ų | 146 | 154.5 Ų | 154.5 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | | | trans | -56.6 | 130.7 | 159.5 | -83.3 | -154 | -40 | 0 | 0 | 109 | E124 R128 | E124-Q126 VanDerWaalsContact C-N 3.32Å; E124-Q126 PolarHBondContact O-N 3.2Å; Q126-R128 PolarHBondContact O-N 3.14Å; Q126-R128 VanDerWaalsContact O-N 3.14Å |
| 127 | P | 47.6 | Very low | 49.4 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -73.4 | 104.2 | 169.7 | 28.7 | -29.3 | 0 | 0 | 0 | 108.1 | S129 | P127-S129 PolarHBondContact O-N 3.38Š|
| 128 | R | 48.5 | Very low | 49.8 | Very low | 215 Ų | 215 | 157.6 Ų | 157.6 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -84.2 | 110.5 | 172.9 | -80.2 | -172.7 | 177.1 | -109.3 | -1 | 110.8 | Q126 | Q126-R128 PolarHBondContact O-N 3.14Å; Q126-R128 VanDerWaalsContact O-N 3.14Å |
| 129 | S | 48.7 | Very low | 50.1 | Low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 99.1 | 127.6 | 148.2 | -55.4 | 0 | 0 | 0 | 0 | 117.9 | P127 | P127-S129 PolarHBondContact O-N 3.38Š|
| 130 | P | 52.8 | Low | 50.5 | Low | 113 Ų | 113 | 158.3 Ų | 158.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -67.4 | 158.5 | 171.6 | 29.7 | -33.5 | 0 | 0 | 0 | 110.7 | R132 | P130-R132 PolarHBondContact O-N 3.09Å; P130-R132 VanDerWaalsContact O-N 3.09Å |
| 131 | P | 45.6 | Very low | 50.6 | Low | 125 Ų | 125 | 158.2 Ų | 158.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -58.4 | 120.2 | 174.5 | 25 | -32.2 | 0 | 0 | 0 | 108.6 | S133 | P131-S133 PolarHBondContact O-N 2.78Š|
| 132 | R | 44.8 | Very low | 51 | Low | 201 Ų | 201 | 160.7 Ų | 160.7 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | trans | -57.6 | 115 | 176.2 | -166.9 | 178 | -168.8 | -136.3 | 8.3 | 107.3 | P130 E134 | P130-R132 PolarHBondContact O-N 3.09Å; P130-R132 VanDerWaalsContact O-N 3.09Å; R132-E134 PolarHBondContact O-N 3.48Å |
| 133 | S | 44.1 | Very low | 51.5 | Low | 102 Ų | 102 | 155.8 Ų | 155.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | -31.9 | 133.9 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112 | P131 R135 | P131-S133 PolarHBondContact O-N 2.78Å; S133-R135 VanDerWaalsContact C-N 3.34Å; S133-R135 PolarHBondContact O-N 3.04Å |
| 134 | E | 51 | Low | 52.3 | Low | 191 Ų | 191 | 160.8 Ų | 160.8 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | -39 | 101.2 | 161.4 | -87.5 | -151.5 | 95.2 | 0 | 0 | 109.3 | R132 Q136 | R132-E134 PolarHBondContact O-N 3.48Å; E134-Q136 PolarHBondContact O-N 3.38Å; E134-Q136 VanDerWaalsContact O-N 3.1Å |
| 135 | R | 50.1 | Low | 53.2 | Low | 177 Ų | 177 | 158.4 Ų | 158.4 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | trans | -72.4 | 107.6 | 166.1 | -88 | -173.2 | 173.7 | -139.6 | -4.6 | 104.9 | S133 | S133-R135 VanDerWaalsContact C-N 3.34Å; S133-R135 PolarHBondContact O-N 3.04Å |
| 136 | Q | 51.7 | Low | 53.7 | Low | 167 Ų | 167 | 152.2 Ų | 152.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -43.6 | 140 | 169 | -74.4 | -150.3 | -9.3 | 0 | 0 | 110.7 | E134 R138 | E134-Q136 PolarHBondContact O-N 3.38Å; E134-Q136 VanDerWaalsContact O-N 3.1Å; Q136-R138 PolarHBondContact O-N 3.17Å; Q136-R138 VanDerWaalsContact O-N 3.17Å |
| 137 | P | 50.5 | Low | 54.3 | Low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 124.6 | 176.7 | 22.9 | -30.4 | 0 | 0 | 0 | 108.7 | | |
| 138 | R | 59.6 | Low | 55.2 | Low | 216 Ų | 216 | 149.3 Ų | 149.3 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.5 | 171.1 | -76.8 | -175.3 | 173.6 | -135.3 | -3.4 | 108.5 | Q136 R140 | Q136-R138 PolarHBondContact O-N 3.17Å; Q136-R138 VanDerWaalsContact O-N 3.17Å; R138-R140 PolarHBondContact O-N 3.1Å |
| 139 | P | 55.9 | Low | 55.7 | Low | 124 Ų | 124 | 148.8 Ų | 148.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.3 | 174 | 22.6 | -30.6 | 0 | 0 | 0 | 109.4 | | |
| 140 | R | 60 | Low | 56.3 | Low | 213 Ų | 213 | 152.8 Ų | 152.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.8 | -177.5 | -173.6 | 176.9 | -179 | -129.4 | 2 | 109.3 | R138 E142 | R138-R140 PolarHBondContact O-N 3.1Å; R140-E142 PolarHBondContact O-N 3.33Å |
| 141 | P | 58.3 | Low | 56.9 | Low | 110 Ų | 110 | 157 Ų | 157 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 125.1 | 170 | -18.6 | 29.4 | 0 | 0 | 0 | 108.9 | V143 | P141-V143 PolarHBondContact O-N 3.08Š|
| 142 | E | 62.1 | Low | 57.6 | Low | 185 Ų | 185 | 156.1 Ų | 156.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -64.9 | 107.8 | 174.9 | -165.4 | 168.9 | 94 | 0 | 0 | 108.1 | R140 R144 | R140-E142 PolarHBondContact O-N 3.33Å; E142-R144 PolarHBondContact O-N 3.02Å; E142-R144 VanDerWaalsContact O-N 3.08Å |
| 143 | V | 59.6 | Low | 58.4 | Low | 109 Ų | 109 | 152.5 Ų | 152.5 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -72.3 | 103.7 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 106.2 | P141 | P141-V143 PolarHBondContact O-N 3.08Š|
| 144 | R | 62.5 | Low | 59.2 | Low | 219 Ų | 219 | 155 Ų | 155 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.4 | 170.7 | -77.6 | -173.6 | 177.4 | -158.2 | -0.9 | 108.8 | E142 | E142-R144 PolarHBondContact O-N 3.02Å; E142-R144 VanDerWaalsContact O-N 3.08Å |
| 145 | P | 66.1 | Low | 59.4 | Low | 112 Ų | 112 | 155.6 Ų | 155.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61 | 146.9 | 174.5 | 24.6 | -31.3 | 0 | 0 | 0 | 109.7 | | |
| 146 | P | 58.7 | Low | 59.8 | Low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 147.3 | 176.5 | 26 | -33.3 | 0 | 0 | 0 | 110 | A148 | P146-A148 PolarHBondContact O-N 3.19Š|
| 147 | P | 62.6 | Low | 60 | Low | 120 Ų | 120 | 154.1 Ų | 154.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.7 | 176.9 | 24.4 | -32.3 | 0 | 0 | 0 | 109.6 | K149 | P147-K149 PolarHBondContact O-N 3.25Š|
| 148 | A | 64.9 | Low | 60.3 | Low | 93 Ų | 93 | 157.1 Ų | 157.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P146 Q150 | P146-A148 PolarHBondContact O-N 3.19Å; A148-Q150 PolarHBondContact O-N 3.17Å |
| 149 | K | 61.1 | Low | 60.3 | Low | 205 Ų | 205 | 155.2 Ų | 155.2 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -52.7 | 114.9 | 174 | -68.1 | -179.5 | 177.7 | -178.6 | 0 | 107.9 | P147 R151 | P147-K149 PolarHBondContact O-N 3.25Å; K149-R151 PolarHBondContact O-N 3.01Å |
| 150 | Q | 59.8 | Low | 60.1 | Low | 191 Ų | 191 | 155.2 Ų | 155.2 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.2 | 172.4 | -74 | -176 | 4.3 | 0 | 0 | 108 | A148 | A148-Q150 PolarHBondContact O-N 3.17Š|
| 151 | R | 65.5 | Low | 59.8 | Low | 200 Ų | 200 | 156.6 Ų | 156.6 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135 | 168.5 | -93.9 | 171.7 | 87.8 | -145 | 11 | 107.5 | K149 | K149-R151 PolarHBondContact O-N 3.01Š|
| 152 | P | 61.1 | Low | 59.5 | Low | 107 Ų | 107 | 157 Ų | 157 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 145.3 | 171.9 | 23.2 | -30.8 | 0 | 0 | 0 | 109.4 | Q154 | P152-Q154 PolarHBondContact O-N 3.25Š|
| 153 | P | 61.1 | Low | 59.4 | Low | 125 Ų | 125 | 153.2 Ų | 153.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.9 | -178.2 | 23.1 | -32.1 | 0 | 0 | 0 | 109.2 | K155 | P153-K155 PolarHBondContact O-N 3.12Š|
| 154 | Q | 61.7 | Low | 59.3 | Low | 154 Ų | 154 | 154.1 Ų | 154.1 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -62.1 | 113.5 | 171.6 | -75.1 | -148.3 | -37.9 | 0 | 0 | 108 | P152 S156 | P152-Q154 PolarHBondContact O-N 3.25Å; Q154-S156 PolarHBondContact O-N 2.95Å |
| 155 | K | 54.5 | Low | 58.9 | Low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -56.8 | 106.8 | 170.6 | -162.1 | 173 | -173.2 | 179.5 | 0 | 107.2 | P153 K157 | P153-K155 PolarHBondContact O-N 3.12Å; K155-K157 PolarHBondContact O-N 3.03Å; K155-K157 VanDerWaalsContact O-N 3.12Å |
| 156 | S | 58.2 | Low | 58.1 | Low | 107 Ų | 107 | 158.4 Ų | 158.4 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -51.3 | 118.9 | 175.8 | -49.1 | 0 | 0 | 0 | 0 | 108.7 | Q154 Q158 | Q154-S156 PolarHBondContact O-N 2.95Å; S156-Q158 PolarHBondContact O-N 2.98Å |
| 157 | K | 57.4 | Low | 57.5 | Low | 205 Ų | 205 | 155.9 Ų | 155.9 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -57.7 | 105.8 | 166.8 | -96.4 | 176.1 | 169.7 | 177.9 | 0 | 106.8 | K155 Q159 | K155-K157 PolarHBondContact O-N 3.03Å; K155-K157 VanDerWaalsContact O-N 3.12Å; K157-Q159 PolarHBondContact O-N 3.32Å |
| 158 | Q | 55.9 | Low | 57 | Low | 185 Ų | 185 | 156.6 Ų | 156.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.1 | 163.2 | -79.2 | -179.7 | -12.1 | 0 | 0 | 107 | S156 | S156-Q158 PolarHBondContact O-N 2.98Š|
| 159 | Q | 58.7 | Low | 56.2 | Low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139 | 170.2 | -72.9 | 177.6 | -34.6 | 0 | 0 | 108.7 | K157 R161 | K157-Q159 PolarHBondContact O-N 3.32Å; Q159-R161 PolarHBondContact O-N 3.14Å |
| 160 | P | 52.8 | Low | 55.4 | Low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.8 | 172 | 25.8 | -30.5 | 0 | 0 | 0 | 108.1 | S162 | P160-S162 PolarHBondContact O-N 3.18Å; P160-S162 VanDerWaalsContact O-N 3.14Å |
| 161 | R | 52.9 | Low | 55.1 | Low | 241 Ų | 241 | 147.9 Ų | 147.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.3 | 170.7 | -78.5 | -177.6 | 166.2 | -149.9 | -3.1 | 107.9 | Q159 S163 | Q159-R161 PolarHBondContact O-N 3.14Å; R161-S163 PolarHBondContact O-N 3.19Å |
| 162 | S | 52.6 | Low | 54.5 | Low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 122.9 | 169.8 | 21.5 | 0 | 0 | 0 | 0 | 109.6 | P160 | P160-S162 PolarHBondContact O-N 3.18Å; P160-S162 VanDerWaalsContact O-N 3.14Å |
| 163 | S | 59.5 | Low | 53.8 | Low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.5 | 172.3 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | R161 L165 | R161-S163 PolarHBondContact O-N 3.19Å; S163-L165 PolarHBondContact O-N 3.33Å |
| 164 | P | 58.5 | Low | 52.9 | Low | 128 Ų | 128 | 147.1 Ų | 147.1 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.5 | 171.8 | -16.5 | 30.1 | 0 | 0 | 0 | 110.1 | R166 | P164-R166 PolarHBondContact O-N 3.3Š|
| 165 | L | 52.8 | Low | 52.5 | Low | 175 Ų | 175 | 145.4 Ų | 145.4 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 124.2 | 170.8 | -80.3 | 155.5 | 0 | 0 | 0 | 109.9 | S163 G167 | S163-L165 PolarHBondContact O-N 3.33Å; L165-G167 PolarHBondContact O-N 3.18Å |
| 166 | R | 50 | Low | 52.8 | Low | 246 Ų | 246 | 141.3 Ų | 141.3 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | | | trans | -65.2 | 105.9 | 171 | -170.2 | -179 | -75.8 | -127.8 | 0.9 | 107.9 | P164 | P164-R166 PolarHBondContact O-N 3.3Š|
| 167 | G | 46 | Very low | 52.6 | Low | 61 Ų | 61 | 143.3 Ų | 143.3 | 63% | 0.629 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L165 | L165-G167 PolarHBondContact O-N 3.18Š|
| 168 | P | 51.1 | Low | 52.4 | Low | 135 Ų | 135 | 143.4 Ų | 143.4 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 156.6 | 178.5 | 32.5 | -31.4 | 0 | 0 | 0 | 111.6 | | |
| 169 | G | 48.4 | Very low | 52.1 | Low | 81 Ų | 81 | 139.7 Ų | 139.7 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 164.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 170 | A | 45.3 | Very low | 51.6 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | | | trans | -141.5 | 104.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 171 | S | 53.8 | Low | 51.6 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | | | trans | -66.4 | 121.7 | 172.5 | -46.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 172 | R | 52.5 | Low | 51.5 | Low | 248 Ų | 248 | 143.2 Ų | 143.2 | 94% | 0.936 | 86% | 0.861 | S | S | * | * | | | trans | -152.6 | 103.7 | 150.7 | -68 | -165.1 | 171.8 | -167.6 | -4.3 | 105.7 | | |
| 173 | G | 46.2 | Very low | 51.5 | Low | 88 Ų | 88 | 144.4 Ų | 144.4 | 91% | 0.907 | 86% | 0.862 | S | S | * | * | | | | 87.9 | 77.8 | 68.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 174 | G | 42.6 | Very low | 51 | Low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 87% | 0.868 | S | S | * | * | | | trans | -143.4 | 97.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 175 | S | 53.4 | Low | 50.6 | Low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 87% | 0.87 | S | S | * | * | | | trans | -70.6 | 157.3 | 175.2 | -91.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 176 | P | 59.7 | Low | 50.5 | Low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 87% | 0.868 | S | S | * | * | | | trans | -87.1 | 139.5 | -169.2 | 34.8 | -31.5 | 0 | 0 | 0 | 111.2 | | |
| 177 | V | 55 | Low | 50.5 | Low | 149 Ų | 149 | 139.6 Ų | 139.6 | 90% | 0.903 | 86% | 0.864 | S | S | * | * | | | trans | -118.9 | 110.9 | 160.1 | -85 | 0 | 0 | 0 | 0 | 109.5 | | |
| 178 | K | 52.9 | Low | 50.8 | Low | 208 Ų | 208 | 144.8 Ų | 144.8 | 90% | 0.904 | 88% | 0.88 | S | S | * | * | | | trans | -53 | 139.7 | 162.2 | -70.5 | 170.1 | 168 | 178.4 | 0 | 110 | | |
| 179 | A | 48.6 | Very low | 50.8 | Low | 106 Ų | 106 | 145.5 Ų | 145.5 | 88% | 0.876 | 88% | 0.88 | S | S | * | * | | | | -165.3 | 109.7 | 128.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 180 | S | 49.1 | Very low | 51 | Low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 88% | 0.883 | S | S | * | * | | | trans | -100.6 | 134.7 | 162.2 | 179 | 0 | 0 | 0 | 0 | 106.8 | | |
| 181 | R | 52.1 | Low | 51.4 | Low | 235 Ų | 235 | 154.3 Ų | 154.3 | 89% | 0.887 | 89% | 0.885 | S | S | * | * | | | trans | 177 | 115.7 | 152 | -96.2 | 162.3 | -168.4 | -124 | 4.7 | 105.7 | | |
| 182 | F | 51.5 | Low | 51.2 | Low | 274 Ų | 274 | 157.3 Ų | 157.3 | 100% | 1.202 | 89% | 0.888 | S | S | * | * | | | | 51.6 | 0 | 85 | -88.3 | -77.3 | 0 | 0 | 0 | 112.2 | | |