| 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 | 34.1 | Very low | 30.7 | Very low | 205 Ų | 205 | 161.5 Ų | 161.5 | 100% | 1.01 | 77% | 0.767 | S | S | * | * | 0 | 133.2 | 0 | -174.2 | -165.6 | -60.3 | 0 | 0 | 104.5 | |||||
| 2 | F | 33.6 | Very low | 30.6 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 61.5 | 129.2 | -142.1 | -46.2 | -87.8 | 0 | 0 | 0 | 109.2 | ||||
| 3 | K | 26.4 | Very low | 30.6 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | cis | 63.1 | 119.8 | -4 | -74.3 | -167 | 171.8 | -170.1 | 0 | 116.8 | ||||
| 4 | Q | 27.4 | Very low | 30.5 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 78.5 | 137.9 | -179.8 | -54.5 | 174.8 | -54.3 | 0 | 0 | 114.4 | ||
| 5 | L | 31.9 | Very low | 30.6 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 66.6 | 76.4 | 163.6 | -58.7 | 155.8 | 0 | 0 | 0 | 117.9 | ||
| 6 | F | 32.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | trans | -179 | 80.7 | 141 | -107.2 | -71.5 | 0 | 0 | 0 | 108.8 | M1081 | F6-M1081 HydrophobicContact CD1-CE 4.43Å; F6-M1081 HydrophobicContact CE1-CE 3.96Å; F6-M1081 HydrophobicContact CE1-SD 3.94Å; F6-M1081 HydrophobicContact CZ-CE 4.19Å; F6-M1081 HydrophobicContact CZ-SD 3.96Å | ||
| 7 | V | 31.5 | Very low | 31.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -135.1 | 43.8 | -174 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 8 | L | 28.8 | Very low | 32.9 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | trans | -148.2 | 145 | -175.4 | -87.4 | 110.4 | 0 | 0 | 0 | 111.7 | ||||
| 9 | W | 29.1 | Very low | 34.9 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 70% | 0.697 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 76.2 | 136.7 | 170 | -75.2 | 42 | 0 | 0 | 0 | 117.7 | ||
| 10 | C | 29.7 | Very low | 37.2 | Very low | 52 Ų | 52 | 119.7 Ų | 119.7 | 35% | 0.351 | 60% | 0.6 | S | S | . | * | trans | 76.6 | 45.4 | 175.6 | -50.4 | 0 | 0 | 0 | 0 | 117.5 | S1068 Y1069 | C10-S1068 WeakPolarHBondContact O-CA 3.24Å; C10-S1068 WeakPolarHBondContact O-CB 3Å; C10-Y1069 PolarHBondContact O-N 2.77Å; C10-Y1069 VanDerWaalsContact O-N 3.14Å | ||
| 11 | F | 33 | Very low | 39.2 | Very low | 185 Ų | 185 | 116.7 Ų | 116.7 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | -62.6 | 136.8 | 127.3 | -76.6 | -119.1 | 0 | 0 | 0 | 107.1 | |||||
| 12 | G | 29.6 | Very low | 41.4 | Very low | 33 Ų | 33 | 114.8 Ų | 114.8 | 34% | 0.34 | 57% | 0.571 | S | S | . | * | trans | -105.9 | -56.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114 | V14 | G12-V14 PolarHBondContact O-N 2.92Š| ||
| 13 | A | 30.6 | Very low | 43.6 | Very low | 40 Ų | 40 | 111.1 Ų | 111.1 | 33% | 0.331 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -49.7 | 138.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W15 D1071 | A13-W15 PolarHBondContact O-N 3.05Å; A13-D1071 WeakPolarHBondContact CA-OD1 3.49Å; A13-D1071 WeakPolarHBondContact CA-OD2 3.35Å; A13-D1071 PolarHBondContact N-OD1 3.27Å; A13-D1071 PolarHBondContact N-OD2 3.42Å |
| 14 | V | 28.6 | Very low | 46.7 | Very low | 128 Ų | 128 | 102.5 Ų | 102.5 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | trans | -72.4 | 66.8 | 162.5 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | G12 V16 | G12-V14 PolarHBondContact O-N 2.92Å; V14-V16 PolarHBondContact O-N 3.19Å | ||
| 15 | W | 32.5 | Very low | 49.9 | Very low | 186 Ų | 186 | 93.9 Ų | 93.9 | 71% | 0.705 | 48% | 0.482 | S | S | * | . | -36.2 | 122.6 | 126.9 | -69.1 | 89.2 | 0 | 0 | 0 | 106.8 | A13 T17 | A13-W15 PolarHBondContact O-N 3.05Å; W15-T17 HydrophobicContact CB-CG2 3.93Å; W15-T17 PolarHBondContact O-N 3.4Å | |||
| 16 | V | 34.6 | Very low | 52.7 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | trans | -72.3 | 60.2 | 179 | 158.7 | 0 | 0 | 0 | 0 | 106.9 | V14 A18 P240 | V14-V16 PolarHBondContact O-N 3.19Å; V16-A18 PolarHBondContact O-N 3.22Å; V16-P240 HydrophobicContact CB-CG 4.02Å; V16-P240 HydrophobicContact CG1-CB 3.79Å; V16-P240 HydrophobicContact CG1-CG 3.36Å; V16-P240 HydrophobicContact CG2-CG 4.5Å | ||
| 17 | T | 44.6 | Very low | 55.6 | Low | 76 Ų | 76 | 82.4 Ų | 82.4 | 47% | 0.466 | 43% | 0.429 | S | S | . | . | trans | -66.3 | 123.6 | -179 | 54.6 | 0 | 0 | 0 | 0 | 107.6 | W15 | W15-T17 HydrophobicContact CB-CG2 3.93Å; W15-T17 PolarHBondContact O-N 3.4Å | ||
| 18 | A | 54.1 | Low | 58.2 | Low | 5 Ų | 5 | 76.7 Ų | 76.7 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | trans | -44.6 | 158.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V16 P20 D185 A232 P240 | V16-A18 PolarHBondContact O-N 3.22Å; A18-P20 WeakPolarHBondContact O-CD 3.21Å; A18-D185 HydrophobicContact CB-CB 4.12Å; A18-A232 VanDerWaalsContact CA-O 3.29Å; A18-A232 WeakPolarHBondContact CA-O 3.43Å; A18-A232 HydrophobicContact CB-CB 3.67Å; A18-A232 WeakPolarHBondContact CB-O 3.08Å; A18-P240 CarbonylContact C-O 3.55Å; A18-P240 VanDerWaalsContact CA-O 3.32Å; A18-P240 WeakPolarHBondContact CA-O 3.36Å | ||
| 19 | I | 70.6 | Confident | 60.7 | Low | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | trans | -49.8 | 114.4 | 174.1 | -52.9 | -176.1 | 0 | 0 | 0 | 109.7 | K21 N23 F24 L182 A184 D185 P240 M242 | I19-K21 PolarHBondContact O-N 3.47Å; I19-N23 HydrophobicContact CG2-CB 3.78Å; I19-F24 HydrophobicContact CB-CE1 4.39Å; I19-F24 HydrophobicContact CG2-CD1 3.93Å; I19-F24 HydrophobicContact CG2-CE1 4.2Å; I19-L182 HydrophobicContact CD1-CB 4Å; I19-L182 HydrophobicContact CD1-CD2 3.52Å; I19-L182 HydrophobicContact CD1-CG 4.24Å; I19-A184 CarbonylContact O-C 3.51Å; I19-A184 WeakPolarHBondContact O-CA 3.08Å; I19-D185 PolarHBondContact O-N 3.28Å; I19-P240 WeakPolarHBondContact CG1-O 3.47Å; I19-P240 PolarHBondContact N-O 3.39Å; I19-M242 HydrophobicContact CD1-CB 3.8Å; I19-M242 HydrophobicContact CD1-CG 4.11Å; I19-M242 HydrophobicContact CG1-CB 4.42Å | ||
| 20 | P | 80.3 | Confident | 63.5 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 26% | 0.26 | 40% | 0.4 | S | S | . | . | trans | -59.1 | 134.3 | 173 | -23.9 | 35.3 | 0 | 0 | 0 | 108.4 | A18 Q22 N23 | A18-P20 WeakPolarHBondContact O-CD 3.21Å; P20-Q22 PolarHBondContact O-N 2.78Å; P20-N23 WeakPolarHBondContact O-CB 3.39Å; P20-N23 PolarHBondContact O-N 3.45Å | ||
| 21 | K | 80.5 | Confident | 66.3 | Low | 57 Ų | 57 | 75.7 Ų | 75.7 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -18 | -177.8 | -172.7 | 169.7 | 173.7 | 173.1 | 0 | 114.8 | I19 N23 F24 Y27 D151 S152 S165 A184 | I19-K21 PolarHBondContact O-N 3.47Å; K21-N23 VanDerWaalsContact C-N 3.34Å; K21-F24 HydrophobicContact CG-CD2 4.49Å; K21-Y27 WeakPolarHBondContact CE-OH 3.34Å; K21-D151 IonicContact NZ-OD1 3.57Å; K21-D151 PolarHBondContact NZ-OD1 2.85Å; K21-D151 IonicContact NZ-OD2 3.31Å; K21-S152 PolarHBondContact NZ-OG 3.08Å; K21-S165 PolarHBondContact NZ-OG 2.76Å; K21-A184 HydrophobicContact CB-CB 4.11Å; K21-A184 HydrophobicContact CG-CB 4.5Å |
| 22 | Q | 79 | Confident | 68.9 | Low | 165 Ų | 165 | 69.8 Ų | 69.8 | 77% | 0.771 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.7 | 174.1 | -61.2 | 168.4 | 40.2 | 0 | 0 | 113.8 | P20 | P20-Q22 PolarHBondContact O-N 2.78Š|
| 23 | N | 81.4 | Confident | 71.9 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -99.2 | -3.3 | -178.3 | -65.2 | -2.1 | 0 | 0 | 0 | 113.2 | I19 P20 K21 | I19-N23 HydrophobicContact CG2-CB 3.78Å; P20-N23 WeakPolarHBondContact O-CB 3.39Å; P20-N23 PolarHBondContact O-N 3.45Å; K21-N23 VanDerWaalsContact C-N 3.34Å |
| 24 | F | 91 | Very high | 74.8 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 4% | 0.044 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -53.5 | 158.2 | 164.6 | -79.6 | 16.2 | 0 | 0 | 0 | 110.3 | I19 K21 Y27 T149 Q167 L182 A184 | I19-F24 HydrophobicContact CB-CE1 4.39Å; I19-F24 HydrophobicContact CG2-CD1 3.93Å; I19-F24 HydrophobicContact CG2-CE1 4.2Å; K21-F24 HydrophobicContact CG-CD2 4.49Å; F24-Y27 HydrophobicContact CD2-CE1 4.38Å; F24-T149 HydrophobicContact CD2-CG2 4.34Å; F24-Q167 HydrophobicContact CD2-CB 3.6Å; F24-Q167 HydrophobicContact CD2-CG 4.46Å; F24-Q167 HydrophobicContact CE2-CB 3.67Å; F24-Q167 HydrophobicContact CG-CB 4.21Å; F24-Q167 HydrophobicContact CZ-CB 4.33Å; F24-L182 HydrophobicContact CD1-CB 4.14Å; F24-L182 HydrophobicContact CE1-CB 3.86Å; F24-L182 HydrophobicContact CZ-CB 4.33Å; F24-L182 WeakPolarHBondContact CZ-O 3.2Å; F24-A184 HydrophobicContact CE1-CB 4.26Å; F24-A184 HydrophobicContact CZ-CB 3.79Å |
| 25 | Y | 93.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 138.7 | 170.1 | -73.5 | -105.3 | 0 | 0 | 0 | 109.7 | Y27 L121 K124 S125 L145 I147 Q167 V169 E180 L182 | Y25-Y27 PolarHBondContact O-N 2.72Å; Y25-L121 HydrophobicContact CD1-CB 4.49Å; Y25-L121 HydrophobicContact CD1-CD2 4.2Å; Y25-K124 HydrophobicContact CD1-CD 4.25Å; Y25-K124 HydrophobicContact CE1-CD 3.6Å; Y25-K124 HydrophobicContact CE1-CG 4.28Å; Y25-K124 HydrophobicContact CE2-CD 4.43Å; Y25-K124 VanDerWaalsContact CZ-CE 3.49Å; Y25-K124 VanDerWaalsContact CZ-NZ 3.34Å; Y25-S125 WeakPolarHBondContact OH-CB 3.1Å; Y25-L145 HydrophobicContact CD1-CD1 3.94Å; Y25-L145 HydrophobicContact CE1-CD1 3.65Å; Y25-I147 HydrophobicContact CD1-CD1 4.48Å; Y25-Q167 PolarHBondContact O-NE2 2.83Å; Y25-V169 HydrophobicContact CD2-CB 4.24Å; Y25-V169 HydrophobicContact CD2-CG1 4.33Å; Y25-V169 HydrophobicContact CD2-CG2 3.55Å; Y25-V169 HydrophobicContact CE1-CG1 4.47Å; Y25-V169 HydrophobicContact CE2-CB 4.27Å; Y25-V169 HydrophobicContact CE2-CG1 4.23Å; Y25-V169 HydrophobicContact CE2-CG2 4.07Å; Y25-V169 HydrophobicContact CG-CG1 4.47Å; Y25-V169 HydrophobicContact CG-CG2 3.95Å; Y25-E180 WeakPolarHBondContact CE2-OE2 3.12Å; Y25-E180 VanDerWaalsContact CZ-OE2 3.3Å; Y25-E180 PolarHBondContact OH-OE1 2.93Å; Y25-E180 PolarHBondContact OH-OE2 3.19Å; Y25-L182 HydrophobicContact CD2-CD1 3.83Å; Y25-L182 HydrophobicContact CE2-CD1 4.12Å |
| 26 | P | 91.9 | Very high | 80.5 | Confident | 45 Ų | 45 | 61 Ų | 61 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 128.5 | -173.8 | -25.6 | 33.8 | 0 | 0 | 0 | 112.1 | Y31 R114 L121 | P26-Y31 HydrophobicContact CB-CD1 3.81Å; P26-Y31 HydrophobicContact CB-CD2 4.14Å; P26-Y31 HydrophobicContact CB-CE1 3.55Å; P26-Y31 HydrophobicContact CB-CE2 3.91Å; P26-Y31 HydrophobicContact CB-CG 4.09Å; P26-R114 PolarHBondContact O-NH2 2.86Å; P26-L121 HydrophobicContact CG-CD2 4.33Å |
| 27 | Y | 91.7 | Very high | 82.9 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | trans | -140.7 | 163.7 | -172.4 | 76.1 | -89.5 | 0 | 0 | 0 | 111 | K21 F24 Y25 Y31 D33 L112 T149 D151 | K21-Y27 WeakPolarHBondContact CE-OH 3.34Å; F24-Y27 HydrophobicContact CD2-CE1 4.38Å; Y25-Y27 PolarHBondContact O-N 2.72Å; Y27-Y31 VanDerWaalsContact O-CD2 3.28Å; Y27-Y31 WeakPolarHBondContact O-CD2 3.09Å; Y27-Y31 WeakPolarHBondContact O-CE2 3.49Å; Y27-D33 VanDerWaalsContact CA-OD2 3.31Å; Y27-D33 WeakPolarHBondContact CA-OD2 3.34Å; Y27-D33 WeakPolarHBondContact CB-OD2 3.35Å; Y27-L112 HydrophobicContact CD2-CD1 3.81Å; Y27-L112 HydrophobicContact CE2-CD1 4.03Å; Y27-T149 HydrophobicContact CD1-CG2 4.02Å; Y27-T149 HydrophobicContact CD2-CG2 3.76Å; Y27-T149 HydrophobicContact CE1-CG2 4.07Å; Y27-T149 HydrophobicContact CE2-CG2 3.83Å; Y27-T149 HydrophobicContact CG-CG2 3.88Å; Y27-D151 HydrophobicContact CE2-CB 4.03Å; Y27-D151 WeakPolarHBondContact CE2-OD2 3.08Å; Y27-D151 PolarHBondContact OH-OD2 3.06Å | ||
| 28 | G | 87.4 | Confident | 84.6 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 13% | 0.134 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 102.1 | 163.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T30 Y31 D33 | G28-T30 PolarHBondContact O-N 2.65Å; G28-Y31 PolarHBondContact O-N 3.07Å; G28-D33 PolarHBondContact N-OD2 2.66Å |
| 29 | S | 81.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 74% | 0.741 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -60.7 | -14.7 | -168.3 | 57.7 | 0 | 0 | 0 | 0 | 116 | Y31 | S29-Y31 VanDerWaalsContact C-N 3.25Å; S29-Y31 PolarHBondContact O-N 3.39Å |
| 30 | T | 87.4 | Confident | 86 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 73% | 0.73 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -68.8 | -20.3 | 169.9 | 43.1 | 0 | 0 | 0 | 0 | 113.9 | G28 | G28-T30 PolarHBondContact O-N 2.65Š|
| 31 | Y | 88.6 | Confident | 86.1 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -106.3 | 3.6 | -177.7 | -57.4 | -79 | 0 | 0 | 0 | 113.8 | P26 Y27 G28 S29 R114 | P26-Y31 HydrophobicContact CB-CD1 3.81Å; P26-Y31 HydrophobicContact CB-CD2 4.14Å; P26-Y31 HydrophobicContact CB-CE1 3.55Å; P26-Y31 HydrophobicContact CB-CE2 3.91Å; P26-Y31 HydrophobicContact CB-CG 4.09Å; Y27-Y31 VanDerWaalsContact O-CD2 3.28Å; Y27-Y31 WeakPolarHBondContact O-CD2 3.09Å; Y27-Y31 WeakPolarHBondContact O-CE2 3.49Å; G28-Y31 PolarHBondContact O-N 3.07Å; S29-Y31 VanDerWaalsContact C-N 3.25Å; S29-Y31 PolarHBondContact O-N 3.39Å; Y31-R114 WeakPolarHBondContact O-CD 3.35Å; Y31-R114 PolarHBondContact O-NH1 2.84Å; Y31-R114 VanDerWaalsContact O-NH1 3.1Å |
| 32 | G | 87.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | 0.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K34 | G32-K34 PolarHBondContact O-N 3.34Š|
| 33 | D | 91.8 | Very high | 86.8 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -55 | 129.2 | -179.3 | -61.2 | 38.8 | 0 | 0 | 0 | 112.9 | Y27 G28 L112 Y113 R114 | Y27-D33 VanDerWaalsContact CA-OD2 3.31Å; Y27-D33 WeakPolarHBondContact CA-OD2 3.34Å; Y27-D33 WeakPolarHBondContact CB-OD2 3.35Å; G28-D33 PolarHBondContact N-OD2 2.66Å; D33-L112 HydrophobicContact CB-CB 4.39Å; D33-L112 HydrophobicContact CB-CD2 4.01Å; D33-Y113 WeakPolarHBondContact CA-O 3.25Å; D33-R114 WeakPolarHBondContact OD1-CD 3.09Å; D33-R114 IonicContact OD1-NE 2.78Å; D33-R114 PolarHBondContact OD1-NE 2.97Å |
| 34 | K | 92.7 | Very high | 87.3 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.2 | 157.5 | -74.2 | -170.4 | 175.3 | -169.3 | 0 | 107.8 | G32 E45 L112 Y113 | G32-K34 PolarHBondContact O-N 3.34Å; K34-E45 IonicContact NZ-OE2 3.64Å; K34-E45 PolarHBondContact NZ-OE2 2.9Å; K34-L112 CarbonylContact O-C 3.54Å; K34-L112 WeakPolarHBondContact O-CA 3.1Å; K34-Y113 HydrophobicContact CB-CD1 4.27Å; K34-Y113 HydrophobicContact CB-CD2 4.22Å; K34-Y113 HydrophobicContact CB-CE1 3.8Å; K34-Y113 HydrophobicContact CB-CE2 3.76Å; K34-Y113 HydrophobicContact CB-CG 4.45Å; K34-Y113 HydrophobicContact CD-CE2 3.63Å; K34-Y113 VanDerWaalsContact CD-OH 3.3Å; K34-Y113 WeakPolarHBondContact CD-OH 3.43Å; K34-Y113 HydrophobicContact CG-CE2 4.25Å; K34-Y113 PolarHBondContact N-O 2.89Å; K34-Y113 PolarHBondContact O-N 3.44Å |
| 35 | Q | 91 | Very high | 87.2 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 143.7 | 165.7 | -156.8 | -162.7 | -85.6 | 0 | 0 | 108.5 | R110 I111 L112 | Q35-R110 HydrophobicContact CG-CB 4.47Å; Q35-I111 CarbonylContact C-O 3.52Å; Q35-I111 WeakPolarHBondContact CA-O 3.45Å; Q35-I111 WeakPolarHBondContact CG-O 3.39Å; Q35-L112 HydrophobicContact CB-CD2 3.87Å; Q35-L112 HydrophobicContact CG-CD2 3.79Å; Q35-L112 HydrophobicContact CG-CG 4.2Å |
| 36 | L | 90.3 | Very high | 87.1 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 145.6 | 161.1 | -161.6 | 62.9 | 0 | 0 | 0 | 109.2 | Q42 I111 | L36-Q42 HydrophobicContact CD1-CG 4.26Å; L36-Q42 HydrophobicContact CG-CG 4.41Å; L36-I111 HydrophobicContact CB-CB 3.99Å; L36-I111 HydrophobicContact CB-CG2 4.44Å; L36-I111 HydrophobicContact CD2-CB 4.29Å; L36-I111 HydrophobicContact CD2-CD1 4.12Å; L36-I111 HydrophobicContact CD2-CG2 4.42Å; L36-I111 PolarHBondContact N-O 2.83Å |
| 37 | E | 84.1 | Confident | 87.1 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 144.7 | 172.1 | -73.6 | -66.4 | 162.9 | 0 | 0 | 109.5 | W39 Q42 | E37-W39 PolarHBondContact O-N 2.75Å; E37-W39 VanDerWaalsContact O-N 3.12Å; E37-Q42 PolarHBondContact O-OE1 3.2Å |
| 38 | P | 79.4 | Confident | 87.2 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 28% | 0.279 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -82.5 | 96.7 | -172.7 | -9.1 | 27.8 | 0 | 0 | 0 | 111.7 | T102 | P38-T102 WeakPolarHBondContact CA-OG1 3.5Å; P38-T102 VanDerWaalsContact CB-O 3.26Å; P38-T102 WeakPolarHBondContact CB-O 3.43Å |
| 39 | W | 77.1 | Confident | 87.5 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | trans | -137.4 | 160.3 | 172.2 | -86.4 | 94.5 | 0 | 0 | 0 | 112.3 | E37 Q42 T102 F103 | E37-W39 PolarHBondContact O-N 2.75Å; E37-W39 VanDerWaalsContact O-N 3.12Å; W39-Q42 HydrophobicContact CB-CB 3.97Å; W39-T102 PolarHBondContact N-OG1 2.92Å; W39-T102 PolarHBondContact O-OG1 2.96Å; W39-F103 HydrophobicContact CD2-CD2 4.03Å; W39-F103 AromaticContact CD2-CE2 3.63Å; W39-F103 HydrophobicContact CD2-CE2 3.63Å; W39-F103 AromaticContact CE2-CE2 3.79Å; W39-F103 AromaticContact CE3-CD2 3.83Å; W39-F103 HydrophobicContact CE3-CD2 3.83Å; W39-F103 AromaticContact CE3-CE2 3.39Å; W39-F103 HydrophobicContact CE3-CE2 3.39Å; W39-F103 HydrophobicContact CE3-CZ 4.11Å; W39-F103 HydrophobicContact CG-CE2 4.46Å; W39-F103 AromaticContact CH2-CE2 3.54Å; W39-F103 HydrophobicContact CH2-CE2 3.54Å; W39-F103 AromaticContact CH2-CZ 3.65Å; W39-F103 HydrophobicContact CH2-CZ 3.65Å; W39-F103 AromaticContact CZ2-CE2 3.76Å; W39-F103 HydrophobicContact CZ2-CE2 3.76Å; W39-F103 HydrophobicContact CZ2-CZ 4.22Å; W39-F103 HydrophobicContact CZ3-CD2 4.18Å; W39-F103 AromaticContact CZ3-CE2 3.35Å; W39-F103 HydrophobicContact CZ3-CE2 3.35Å; W39-F103 AromaticContact CZ3-CZ 3.59Å; W39-F103 HydrophobicContact CZ3-CZ 3.59Å | ||
| 40 | D | 76.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -59.5 | 137.6 | 160.4 | -165.6 | 16.4 | 0 | 0 | 0 | 109.3 | Q42 Y156 K196 | D40-Q42 PolarHBondContact O-N 2.6Å; D40-Y156 VanDerWaalsContact OD2-CE2 3.28Å; D40-Y156 WeakPolarHBondContact OD2-CE2 3.47Å; D40-K196 WeakPolarHBondContact OD1-CE 3.03Å; D40-K196 IonicContact OD1-NZ 3.83Å; D40-K196 PolarHBondContact OD1-NZ 3.24Å; D40-K196 IonicContact OD2-NZ 3.77Å |
| 41 | D | 82.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 54.2 | -1.5 | 175.9 | -74.2 | -16.6 | 0 | 0 | 0 | 120.6 | N66 S67 N68 Y80 K196 | D41-N66 PolarHBondContact O-ND2 2.96Å; D41-S67 VanDerWaalsContact CA-OG 3.25Å; D41-S67 WeakPolarHBondContact CA-OG 3.39Å; D41-S67 PolarHBondContact O-OG 2.95Å; D41-N68 PolarHBondContact OD1-ND2 3.26Å; D41-Y80 VanDerWaalsContact OD1-CB 3.28Å; D41-Y80 WeakPolarHBondContact OD1-CB 3.42Å; D41-Y80 PolarHBondContact OD1-N 3.28Å; D41-Y80 PolarHBondContact OD2-N 3.3Å; D41-K196 IonicContact OD1-NZ 2.8Å; D41-K196 PolarHBondContact OD1-NZ 3.44Å; D41-K196 IonicContact OD2-NZ 3.84Å; D41-K196 PolarHBondContact OD2-NZ 2.96Å |
| 42 | Q | 85.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | trans | -58.6 | 145.1 | -173.6 | -177.3 | 164.4 | 6.5 | 0 | 0 | 115.5 | L36 E37 W39 D40 S67 | L36-Q42 HydrophobicContact CD1-CG 4.26Å; L36-Q42 HydrophobicContact CG-CG 4.41Å; E37-Q42 PolarHBondContact O-OE1 3.2Å; W39-Q42 HydrophobicContact CB-CB 3.97Å; D40-Q42 PolarHBondContact O-N 2.6Å; Q42-S67 PolarHBondContact N-OG 3.05Å; Q42-S67 WeakPolarHBondContact O-CB 3.4Å; Q42-S67 PolarHBondContact O-N 2.99Å; Q42-S67 PolarHBondContact O-OG 2.72Å | ||
| 43 | S | 89.5 | Confident | 88.8 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -109.7 | 162.7 | 165.4 | -81.7 | 0 | 0 | 0 | 0 | 113.4 | V65 N66 L77 | S43-V65 CarbonylContact C-O 3.54Å; S43-V65 WeakPolarHBondContact CA-O 3.46Å; S43-N66 PolarHBondContact OG-ND2 3.48Å; S43-L77 WeakPolarHBondContact CB-O 3.5Å; S43-L77 PolarHBondContact OG-O 2.86Å |
| 44 | S | 91.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 161.7 | 178.1 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | Y64 V65 | S44-Y64 WeakPolarHBondContact O-CD1 3.32Å; S44-V65 PolarHBondContact N-O 3.49Å; S44-V65 PolarHBondContact OG-N 3.04Å |
| 45 | E | 89.2 | Confident | 89 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 65% | 0.65 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 153.5 | 155.2 | -63.1 | 179.3 | 143.2 | 0 | 0 | 110.4 | K34 V47 | K34-E45 IonicContact NZ-OE2 3.64Å; K34-E45 PolarHBondContact NZ-OE2 2.9Å; E45-V47 WeakPolarHBondContact O-CG2 3.47Å; E45-V47 PolarHBondContact O-N 2.76Å |
| 46 | E | 91.3 | Very high | 89 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 120.2 | 176.5 | -171.6 | -173.7 | 167.6 | 0 | 0 | 111.4 | H48 S62 Y64 | E46-H48 PolarHBondContact O-N 2.87Å; E46-H48 IonicContact OE1-CE1 3.73Å; E46-H48 PolarHBondContact OE1-CE1 3.34Å; E46-H48 IonicContact OE1-ND1 3.27Å; E46-H48 PolarHBondContact OE1-ND1 3.34Å; E46-H48 IonicContact OE2-CE1 3.39Å; E46-H48 PolarHBondContact OE2-CE1 3.39Å; E46-S62 WeakPolarHBondContact OE1-CB 3.06Å; E46-S62 PolarHBondContact OE1-OG 2.92Å; E46-Y64 HydrophobicContact CB-CE1 3.82Å; E46-Y64 HydrophobicContact CG-CE1 4.36Å; E46-Y64 HydrophobicContact CG-CE2 4.39Å |
| 47 | V | 92.9 | Very high | 88.8 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 93.8 | -175.9 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | E45 F49 S62 A63 Y113 F146 | E45-V47 WeakPolarHBondContact O-CG2 3.47Å; E45-V47 PolarHBondContact O-N 2.76Å; V47-F49 HydrophobicContact CG1-CE1 4.21Å; V47-F49 WeakPolarHBondContact O-CE1 3.45Å; V47-S62 VanDerWaalsContact O-CA 3.23Å; V47-S62 WeakPolarHBondContact O-CA 3.25Å; V47-A63 WeakPolarHBondContact CB-O 3.17Å; V47-A63 PolarHBondContact N-O 3.49Å; V47-A63 PolarHBondContact O-N 2.82Å; V47-Y113 HydrophobicContact CG1-CD2 4.42Å; V47-Y113 HydrophobicContact CG2-CD2 3.86Å; V47-Y113 HydrophobicContact CG2-CE2 3.54Å; V47-F146 HydrophobicContact CG1-CE2 3.82Å; V47-F146 HydrophobicContact CG1-CZ 4.33Å |
| 48 | H | 92.8 | Very high | 89.1 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 59% | 0.588 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 142.2 | 178 | -53.9 | -58.9 | 0 | 0 | 0 | 113.4 | E46 H61 | E46-H48 PolarHBondContact O-N 2.87Å; E46-H48 IonicContact OE1-CE1 3.73Å; E46-H48 PolarHBondContact OE1-CE1 3.34Å; E46-H48 IonicContact OE1-ND1 3.27Å; E46-H48 PolarHBondContact OE1-ND1 3.34Å; E46-H48 IonicContact OE2-CE1 3.39Å; E46-H48 PolarHBondContact OE2-CE1 3.39Å; H48-H61 WeakPolarHBondContact CA-O 3.12Å |
| 49 | F | 93.6 | Very high | 89.7 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.2 | -176 | -56.6 | -43.9 | 0 | 0 | 0 | 113 | V47 F51 I53 H61 A63 F73 T115 M144 F146 | V47-F49 HydrophobicContact CG1-CE1 4.21Å; V47-F49 WeakPolarHBondContact O-CE1 3.45Å; F49-F51 WeakPolarHBondContact CB-O 3.28Å; F49-I53 HydrophobicContact CD2-CD1 4.06Å; F49-I53 HydrophobicContact CD2-CG1 4.08Å; F49-I53 HydrophobicContact CE1-CD1 4.13Å; F49-I53 HydrophobicContact CE2-CB 4.43Å; F49-I53 HydrophobicContact CE2-CD1 3.55Å; F49-I53 HydrophobicContact CE2-CG1 4.01Å; F49-I53 HydrophobicContact CZ-CD1 3.57Å; F49-I53 HydrophobicContact CZ-CG1 4.47Å; F49-H61 PolarHBondContact N-O 3.14Å; F49-A63 HydrophobicContact CE2-CB 3.97Å; F49-A63 HydrophobicContact CZ-CB 3.68Å; F49-F73 HydrophobicContact CE2-CE1 4.46Å; F49-T115 HydrophobicContact CD1-CG2 3.73Å; F49-T115 HydrophobicContact CE1-CG2 4.2Å; F49-M144 HydrophobicContact CB-CE 3.86Å; F49-M144 HydrophobicContact CD1-CE 4.04Å; F49-M144 HydrophobicContact CG-CE 4.05Å; F49-F146 HydrophobicContact CE1-CB 4.29Å; F49-F146 AromaticContact CE1-CD1 3.97Å; F49-F146 HydrophobicContact CE1-CD1 3.97Å; F49-F146 AromaticContact CE1-CD2 3.8Å; F49-F146 HydrophobicContact CE1-CD2 3.8Å; F49-F146 HydrophobicContact CE1-CE1 4.24Å; F49-F146 HydrophobicContact CE1-CE2 4.1Å; F49-F146 AromaticContact CE1-CG 3.74Å; F49-F146 HydrophobicContact CE1-CG 3.74Å; F49-F146 HydrophobicContact CE1-CZ 4.29Å; F49-F146 HydrophobicContact CZ-CD1 4.06Å; F49-F146 HydrophobicContact CZ-CE1 4.21Å; F49-F146 HydrophobicContact CZ-CG 4.28Å |
| 50 | H | 89.2 | Confident | 90.5 | Very high | 166 Ų | 166 | 52.2 Ų | 52.2 | 77% | 0.769 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -28 | 174.8 | -73.2 | -33 | 0 | 0 | 0 | 113.8 | ||
| 51 | F | 92.5 | Very high | 91.4 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.9 | 167.5 | -65.7 | -88.4 | 0 | 0 | 0 | 106.4 | F49 R143 M144 T172 | F49-F51 WeakPolarHBondContact CB-O 3.28Å; F51-R143 HydrophobicContact CD1-CB 4.3Å; F51-R143 HydrophobicContact CD2-CB 3.88Å; F51-R143 HydrophobicContact CE1-CB 4.23Å; F51-R143 HydrophobicContact CE2-CB 3.79Å; F51-R143 HydrophobicContact CG-CB 4.13Å; F51-R143 HydrophobicContact CZ-CB 3.97Å; F51-R143 HydrophobicContact CZ-CG 4.49Å; F51-M144 HydrophobicContact CB-CB 4.44Å; F51-M144 HydrophobicContact CD2-CB 4.01Å; F51-M144 WeakPolarHBondContact O-CE 3.11Å; F51-T172 HydrophobicContact CB-CG2 4.17Å |
| 52 | P | 94.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 152.2 | -175.1 | 30 | -36.4 | 0 | 0 | 0 | 111.6 | C59 Y60 T172 | P52-C59 HydrophobicContact CB-CB 3.99Å; P52-C59 HydrophobicContact CG-CB 4.2Å; P52-Y60 CarbonylContact C-O 3.56Å; P52-Y60 WeakPolarHBondContact CA-O 3.43Å; P52-Y60 VanDerWaalsContact CB-O 3.3Å; P52-Y60 WeakPolarHBondContact CB-O 3.16Å; P52-T172 WeakPolarHBondContact O-CB 3.31Å; P52-T172 WeakPolarHBondContact O-CG2 3.41Å; P52-T172 PolarHBondContact O-OG1 2.72Å |
| 53 | I | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.8 | 168.8 | -65.2 | 177.3 | 0 | 0 | 0 | 106.9 | F49 C59 Y60 F73 M144 F146 I170 T172 I247 | F49-I53 HydrophobicContact CD2-CD1 4.06Å; F49-I53 HydrophobicContact CD2-CG1 4.08Å; F49-I53 HydrophobicContact CE1-CD1 4.13Å; F49-I53 HydrophobicContact CE2-CB 4.43Å; F49-I53 HydrophobicContact CE2-CD1 3.55Å; F49-I53 HydrophobicContact CE2-CG1 4.01Å; F49-I53 HydrophobicContact CZ-CD1 3.57Å; F49-I53 HydrophobicContact CZ-CG1 4.47Å; I53-C59 CarbonylContact O-C 3.57Å; I53-C59 WeakPolarHBondContact O-CA 3.05Å; I53-Y60 PolarHBondContact N-O 2.94Å; I53-Y60 PolarHBondContact O-N 2.97Å; I53-F73 HydrophobicContact CB-CE1 4.31Å; I53-F73 HydrophobicContact CG2-CE1 4.14Å; I53-F73 HydrophobicContact CG2-CZ 4.1Å; I53-M144 HydrophobicContact CG1-CE 4.43Å; I53-F146 HydrophobicContact CD1-CB 4.13Å; I53-F146 HydrophobicContact CD1-CD1 4.19Å; I53-F146 HydrophobicContact CD1-CG 4.49Å; I53-I170 HydrophobicContact CD1-CB 4.15Å; I53-I170 HydrophobicContact CD1-CD1 4.08Å; I53-I170 HydrophobicContact CD1-CG2 3.91Å; I53-I170 HydrophobicContact CG1-CG2 4.11Å; I53-I170 HydrophobicContact CG2-CG2 3.78Å; I53-T172 HydrophobicContact CG1-CG2 4.32Å; I53-I247 HydrophobicContact CG2-CD1 4.09Å |
| 54 | C | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 104.6 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | K58 C59 T175 S177 I247 T248 | C54-K58 WeakPolarHBondContact CA-O 3.48Å; C54-C59 HydrophobicContact CB-CB 4.17Å; C54-C59 WeakPolarHBondContact CB-SG 3.28Å; C54-C59 WeakPolarHBondContact SG-CB 3.31Å; C54-C59 CovalentContact SG-SG 2.05Å; C54-C59 PolarHBondContact SG-SG 3.27Å; C54-T175 PolarHBondContact SG-O 3.05Å; C54-S177 PolarHBondContact N-OG 2.03Å; C54-S177 WeakPolarHBondContact O-CB 3.45Å; C54-I247 CarbonylContact O-C 3.46Å; C54-T248 HydrophobicContact CB-CG2 3.81Å; C54-T248 WeakPolarHBondContact CB-OG1 3.47Å; C54-T248 WeakPolarHBondContact O-CA 3.46Å; C54-T248 PolarHBondContact O-OG1 2.98Å |
| 55 | F | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.1 | -172 | 176.5 | -119.6 | 0 | 0 | 0 | 109.4 | D57 K58 Y60 F73 P91 L92 I93 F210 V211 I247 I251 | F55-D57 PolarHBondContact O-N 3.29Å; F55-K58 PolarHBondContact N-O 3.19Å; F55-K58 PolarHBondContact O-N 3.01Å; F55-K58 VanDerWaalsContact O-O 3.1Å; F55-Y60 HydrophobicContact CB-CD2 3.97Å; F55-Y60 HydrophobicContact CB-CE2 3.89Å; F55-Y60 HydrophobicContact CD1-CE2 4.13Å; F55-F73 HydrophobicContact CB-CE2 4.06Å; F55-F73 HydrophobicContact CB-CZ 4.15Å; F55-F73 AromaticContact CD1-CD2 3.7Å; F55-F73 HydrophobicContact CD1-CD2 3.7Å; F55-F73 AromaticContact CD1-CE2 3.39Å; F55-F73 HydrophobicContact CD1-CE2 3.39Å; F55-F73 HydrophobicContact CD1-CZ 4.3Å; F55-F73 HydrophobicContact CD2-CE2 4.46Å; F55-F73 HydrophobicContact CE1-CD2 4.15Å; F55-F73 AromaticContact CE1-CE2 3.88Å; F55-F73 HydrophobicContact CE1-CE2 3.88Å; F55-F73 HydrophobicContact CG-CD2 4.41Å; F55-F73 AromaticContact CG-CE2 3.71Å; F55-F73 HydrophobicContact CG-CE2 3.71Å; F55-F73 HydrophobicContact CG-CZ 4.22Å; F55-P91 HydrophobicContact CD1-CB 4.04Å; F55-P91 HydrophobicContact CE1-CB 3.95Å; F55-L92 VanDerWaalsContact CZ-O 3.24Å; F55-L92 WeakPolarHBondContact CZ-O 3.46Å; F55-I93 HydrophobicContact CD2-CD1 4.01Å; F55-I93 HydrophobicContact CD2-CG1 4.25Å; F55-I93 HydrophobicContact CE1-CG1 4.45Å; F55-I93 HydrophobicContact CE2-CD1 3.95Å; F55-I93 HydrophobicContact CE2-CG1 3.75Å; F55-I93 HydrophobicContact CZ-CD1 4.49Å; F55-I93 HydrophobicContact CZ-CG1 3.84Å; F55-F210 HydrophobicContact CE2-CB 3.92Å; F55-F210 AromaticContact CE2-CD1 3.9Å; F55-F210 HydrophobicContact CE2-CD1 3.9Å; F55-F210 HydrophobicContact CE2-CG 4.36Å; F55-F210 HydrophobicContact CZ-CB 4.08Å; F55-V211 WeakPolarHBondContact CE1-O 3.46Å; F55-I247 CarbonylContact C-O 3.47Å; F55-I247 VanDerWaalsContact CA-O 3.26Å; F55-I247 WeakPolarHBondContact CA-O 3.49Å; F55-I247 HydrophobicContact CD2-CB 4.19Å; F55-I247 HydrophobicContact CD2-CD1 4.16Å; F55-I251 HydrophobicContact CE2-CD1 4.37Å |
| 56 | Y | 91.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | 45.8 | -137.1 | -157.3 | -66.7 | -83.1 | 0 | 0 | 0 | 110.2 | K58 F210 N215 A216 I247 G249 I251 | Y56-K58 PolarHBondContact O-N 2.88Å; Y56-K58 VanDerWaalsContact O-N 3.17Å; Y56-F210 HydrophobicContact CE2-CB 4.22Å; Y56-F210 PolarHBondContact OH-O 3.45Å; Y56-N215 HydrophobicContact CD1-CB 3.59Å; Y56-N215 WeakPolarHBondContact CD1-OD1 3.5Å; Y56-N215 HydrophobicContact CD2-CB 4.43Å; Y56-N215 HydrophobicContact CE1-CB 3.76Å; Y56-N215 HydrophobicContact CG-CB 3.94Å; Y56-A216 PolarHBondContact OH-O 3.27Å; Y56-A216 VanDerWaalsContact OH-O 3.05Å; Y56-I247 PolarHBondContact N-O 3.29Å; Y56-G249 WeakPolarHBondContact CA-O 3.19Å; Y56-G249 PolarHBondContact O-N 3.21Å; Y56-I251 HydrophobicContact CD1-CD1 4.24Å; Y56-I251 HydrophobicContact CD1-CG1 4.34Å; Y56-I251 HydrophobicContact CD2-CD1 4.47Å; Y56-I251 HydrophobicContact CE1-CD1 3.88Å; Y56-I251 HydrophobicContact CE1-CG1 3.56Å; Y56-I251 HydrophobicContact CE2-CD1 4.13Å; Y56-I251 HydrophobicContact CE2-CG1 4.37Å; Y56-I251 WeakPolarHBondContact OH-CG1 3.35Å |
| 57 | D | 86.3 | Confident | 92.9 | Very high | 125 Ų | 125 | 43.4 Ų | 43.4 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.1 | -175.4 | -40.7 | -64.7 | 0 | 0 | 0 | 114.2 | F55 N215 | F55-D57 PolarHBondContact O-N 3.29Å; D57-N215 PolarHBondContact OD2-ND2 2.84Å |
| 58 | K | 90.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 42.6 Ų | 42.6 | 50% | 0.504 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.3 | -166.8 | -172.8 | 159.6 | 179 | 167.1 | 0 | 113.8 | C54 F55 Y56 Y60 | C54-K58 WeakPolarHBondContact CA-O 3.48Å; F55-K58 PolarHBondContact N-O 3.19Å; F55-K58 PolarHBondContact O-N 3.01Å; F55-K58 VanDerWaalsContact O-O 3.1Å; Y56-K58 PolarHBondContact O-N 2.88Å; Y56-K58 VanDerWaalsContact O-N 3.17Å; K58-Y60 HydrophobicContact CB-CD2 4.49Å; K58-Y60 HydrophobicContact CB-CE2 3.68Å; K58-Y60 HydrophobicContact CD-CE1 4.08Å; K58-Y60 HydrophobicContact CD-CE2 4.47Å; K58-Y60 HydrophobicContact CG-CD2 4.39Å; K58-Y60 HydrophobicContact CG-CE1 4.12Å; K58-Y60 HydrophobicContact CG-CE2 3.83Å; K58-Y60 WeakPolarHBondContact O-CD2 3.49Å; K58-Y60 WeakPolarHBondContact O-CE2 3.46Å |
| 59 | C | 93.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 106.7 | 179.3 | -61 | 0 | 0 | 0 | 0 | 112 | P52 I53 C54 H61 | P52-C59 HydrophobicContact CB-CB 3.99Å; P52-C59 HydrophobicContact CG-CB 4.2Å; I53-C59 CarbonylContact O-C 3.57Å; I53-C59 WeakPolarHBondContact O-CA 3.05Å; C54-C59 HydrophobicContact CB-CB 4.17Å; C54-C59 WeakPolarHBondContact CB-SG 3.28Å; C54-C59 WeakPolarHBondContact SG-CB 3.31Å; C54-C59 CovalentContact SG-SG 2.05Å; C54-C59 PolarHBondContact SG-SG 3.27Å; C59-H61 PolarHBondContact O-ND1 2.93Å |
| 60 | Y | 94.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 136.9 | -176.6 | -58.8 | -93.9 | 0 | 0 | 0 | 111.4 | P52 I53 F55 K58 F73 P91 | P52-Y60 CarbonylContact C-O 3.56Å; P52-Y60 WeakPolarHBondContact CA-O 3.43Å; P52-Y60 VanDerWaalsContact CB-O 3.3Å; P52-Y60 WeakPolarHBondContact CB-O 3.16Å; I53-Y60 PolarHBondContact N-O 2.94Å; I53-Y60 PolarHBondContact O-N 2.97Å; F55-Y60 HydrophobicContact CB-CD2 3.97Å; F55-Y60 HydrophobicContact CB-CE2 3.89Å; F55-Y60 HydrophobicContact CD1-CE2 4.13Å; K58-Y60 HydrophobicContact CB-CD2 4.49Å; K58-Y60 HydrophobicContact CB-CE2 3.68Å; K58-Y60 HydrophobicContact CD-CE1 4.08Å; K58-Y60 HydrophobicContact CD-CE2 4.47Å; K58-Y60 HydrophobicContact CG-CD2 4.39Å; K58-Y60 HydrophobicContact CG-CE1 4.12Å; K58-Y60 HydrophobicContact CG-CE2 3.83Å; K58-Y60 WeakPolarHBondContact O-CD2 3.49Å; K58-Y60 WeakPolarHBondContact O-CE2 3.46Å; Y60-F73 HydrophobicContact CD1-CB 3.38Å; Y60-F73 HydrophobicContact CD1-CD1 4.22Å; Y60-F73 AromaticContact CD1-CG 3.97Å; Y60-F73 HydrophobicContact CD1-CG 3.97Å; Y60-F73 HydrophobicContact CD2-CB 4.4Å; Y60-F73 HydrophobicContact CD2-CD1 4.12Å; Y60-F73 HydrophobicContact CD2-CG 4.13Å; Y60-F73 HydrophobicContact CE1-CB 3.66Å; Y60-F73 HydrophobicContact CE1-CG 4.36Å; Y60-F73 HydrophobicContact CG-CB 3.77Å; Y60-F73 AromaticContact CG-CD1 3.71Å; Y60-F73 HydrophobicContact CG-CD1 3.71Å; Y60-F73 HydrophobicContact CG-CE1 4.44Å; Y60-F73 AromaticContact CG-CG 3.82Å; Y60-F73 HydrophobicContact CG-CG 3.82Å; Y60-P91 HydrophobicContact CE1-CB 4.22Å; Y60-P91 HydrophobicContact CE1-CG 3.7Å; Y60-P91 VanDerWaalsContact OH-CB 3.31Å; Y60-P91 WeakPolarHBondContact OH-CB 3.41Å; Y60-P91 WeakPolarHBondContact OH-CG 3.33Å |
| 61 | H | 94.1 | Very high | 93 | Very high | 120 Ų | 120 | 28 Ų | 28 | 56% | 0.556 | 14% | 0.139 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -1.6 | -177.9 | -69 | 68.3 | 0 | 0 | 0 | 113 | H48 F49 C59 | H48-H61 WeakPolarHBondContact CA-O 3.12Å; F49-H61 PolarHBondContact N-O 3.14Å; C59-H61 PolarHBondContact O-ND1 2.93Å |
| 62 | S | 94.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 161.6 | 178.6 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | E46 V47 | E46-S62 WeakPolarHBondContact OE1-CB 3.06Å; E46-S62 PolarHBondContact OE1-OG 2.92Å; V47-S62 VanDerWaalsContact O-CA 3.23Å; V47-S62 WeakPolarHBondContact O-CA 3.25Å |
| 63 | A | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V47 F49 L71 S72 F73 | V47-A63 WeakPolarHBondContact CB-O 3.17Å; V47-A63 PolarHBondContact N-O 3.49Å; V47-A63 PolarHBondContact O-N 2.82Å; F49-A63 HydrophobicContact CE2-CB 3.97Å; F49-A63 HydrophobicContact CZ-CB 3.68Å; A63-L71 HydrophobicContact CB-CD1 3.55Å; A63-L71 HydrophobicContact CB-CD2 4.47Å; A63-L71 HydrophobicContact CB-CG 4.02Å; A63-S72 CarbonylContact C-O 3.56Å; A63-S72 VanDerWaalsContact CA-O 3.3Å; A63-S72 WeakPolarHBondContact CA-O 3.43Å; A63-S72 WeakPolarHBondContact CB-O 3Å; A63-F73 HydrophobicContact CB-CD1 3.69Å; A63-F73 HydrophobicContact CB-CE1 3.96Å; A63-F73 HydrophobicContact CB-CG 4.44Å |
| 64 | Y | 95.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 27.8 Ų | 27.8 | 14% | 0.137 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.7 | 177 | -60.6 | -95 | 0 | 0 | 0 | 109.9 | S44 E46 L71 S72 T75 E76 | S44-Y64 WeakPolarHBondContact O-CD1 3.32Å; E46-Y64 HydrophobicContact CB-CE1 3.82Å; E46-Y64 HydrophobicContact CG-CE1 4.36Å; E46-Y64 HydrophobicContact CG-CE2 4.39Å; Y64-L71 WeakPolarHBondContact O-CA 3.46Å; Y64-S72 PolarHBondContact N-O 2.89Å; Y64-S72 PolarHBondContact O-N 2.83Å; Y64-T75 WeakPolarHBondContact CD2-O 3.41Å; Y64-E76 HydrophobicContact CD1-CB 3.89Å; Y64-E76 HydrophobicContact CD1-CG 4.08Å; Y64-E76 HydrophobicContact CE1-CB 3.95Å; Y64-E76 HydrophobicContact CE1-CG 4.42Å; Y64-E76 HydrophobicContact CG-CB 4.27Å |
| 65 | V | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119 | 173.8 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | S43 S44 L71 I111 Y113 F146 V148 W150 | S43-V65 CarbonylContact C-O 3.54Å; S43-V65 WeakPolarHBondContact CA-O 3.46Å; S44-V65 PolarHBondContact N-O 3.49Å; S44-V65 PolarHBondContact OG-N 3.04Å; V65-L71 HydrophobicContact CG2-CD1 4.04Å; V65-I111 HydrophobicContact CG1-CG2 3.87Å; V65-Y113 HydrophobicContact CG2-CD1 4.49Å; V65-Y113 HydrophobicContact CG2-CD2 4.4Å; V65-Y113 HydrophobicContact CG2-CG 4.11Å; V65-F146 HydrophobicContact CG2-CE1 4.46Å; V65-F146 HydrophobicContact CG2-CZ 3.8Å; V65-V148 HydrophobicContact CB-CG1 4.41Å; V65-V148 HydrophobicContact CG1-CG1 3.54Å; V65-V148 HydrophobicContact CG2-CG1 3.92Å; V65-V148 HydrophobicContact CG2-CG2 3.91Å; V65-W150 HydrophobicContact CG1-CZ2 4.17Å |
| 66 | N | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -97.9 | 149.4 | 178.6 | 179.1 | -101 | 0 | 0 | 0 | 111.9 | D41 S43 N68 M70 L77 W150 | D41-N66 PolarHBondContact O-ND2 2.96Å; S43-N66 PolarHBondContact OG-ND2 3.48Å; N66-N68 VanDerWaalsContact C-N 3.33Å; N66-N68 PolarHBondContact O-N 3.43Å; N66-N68 WeakPolarHBondContact OD1-CA 3.23Å; N66-N68 VanDerWaalsContact OD1-CB 3.26Å; N66-N68 WeakPolarHBondContact OD1-CB 3.17Å; N66-N68 PolarHBondContact OD1-N 2.76Å; N66-M70 HydrophobicContact CB-CB 4.27Å; N66-M70 PolarHBondContact N-O 2.78Å; N66-L77 HydrophobicContact CB-CB 4.1Å; N66-L77 HydrophobicContact CB-CD1 4.08Å; N66-L77 PolarHBondContact ND2-O 3.31Å; N66-L77 VanDerWaalsContact ND2-O 3.1Å; N66-W150 WeakPolarHBondContact O-CZ2 3.05Å; N66-W150 PolarHBondContact O-NE1 2.82Å |
| 67 | S | 90.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -44.2 | 176.9 | 46.5 | 0 | 0 | 0 | 0 | 113.2 | D41 Q42 G69 I100 I111 W150 | D41-S67 VanDerWaalsContact CA-OG 3.25Å; D41-S67 WeakPolarHBondContact CA-OG 3.39Å; D41-S67 PolarHBondContact O-OG 2.95Å; Q42-S67 PolarHBondContact N-OG 3.05Å; Q42-S67 WeakPolarHBondContact O-CB 3.4Å; Q42-S67 PolarHBondContact O-N 2.99Å; Q42-S67 PolarHBondContact O-OG 2.72Å; S67-G69 PolarHBondContact O-N 3.21Å; S67-I100 WeakPolarHBondContact O-CD1 3.35Å; S67-I111 VanDerWaalsContact CA-CD1 3.5Å; S67-I111 WeakPolarHBondContact O-CD1 3.36Å; S67-W150 PolarHBondContact O-NE1 2.85Å; S67-W150 VanDerWaalsContact O-NE1 3.07Å |
| 68 | N | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 33.8 | -173 | -59.3 | -45.9 | 0 | 0 | 0 | 114.1 | D41 N66 Y80 Y97 A98 D99 I100 | D41-N68 PolarHBondContact OD1-ND2 3.26Å; N66-N68 VanDerWaalsContact C-N 3.33Å; N66-N68 PolarHBondContact O-N 3.43Å; N66-N68 WeakPolarHBondContact OD1-CA 3.23Å; N66-N68 VanDerWaalsContact OD1-CB 3.26Å; N66-N68 WeakPolarHBondContact OD1-CB 3.17Å; N66-N68 PolarHBondContact OD1-N 2.76Å; N68-Y80 HydrophobicContact CB-CD2 4.29Å; N68-Y97 HydrophobicContact CB-CD2 4.21Å; N68-Y97 HydrophobicContact CB-CE2 4.09Å; N68-Y97 WeakPolarHBondContact O-CA 3.49Å; N68-Y97 WeakPolarHBondContact O-CD2 3.14Å; N68-A98 WeakPolarHBondContact CA-O 3.46Å; N68-A98 VanDerWaalsContact CB-O 3.25Å; N68-A98 WeakPolarHBondContact CB-O 3.06Å; N68-A98 PolarHBondContact O-N 2.74Å; N68-A98 PolarHBondContact OD1-O 3.11Å; N68-D99 WeakPolarHBondContact OD1-CA 3.44Å; N68-I100 PolarHBondContact OD1-N 3.22Å |
| 69 | G | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 75.7 | 27.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116 | S67 I95 F96 | S67-G69 PolarHBondContact O-N 3.21Å; G69-I95 VanDerWaalsContact O-CG2 3.32Å; G69-I95 WeakPolarHBondContact O-CG2 3.5Å; G69-I95 PolarHBondContact O-N 2.9Å; G69-F96 WeakPolarHBondContact CA-O 2.98Å; G69-F96 PolarHBondContact O-N 3.46Å |
| 70 | M | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.2 | -179.3 | -50.5 | 175.5 | 96 | 0 | 0 | 113.3 | N66 L77 L85 F88 L92 I93 A94 Y97 | N66-M70 HydrophobicContact CB-CB 4.27Å; N66-M70 PolarHBondContact N-O 2.78Å; M70-L77 HydrophobicContact CB-CD1 4.04Å; M70-L77 HydrophobicContact CE-CD1 4.43Å; M70-L77 HydrophobicContact SD-CD1 3.65Å; M70-L85 HydrophobicContact CE-CD2 3.75Å; M70-F88 HydrophobicContact CE-CD2 4.03Å; M70-F88 HydrophobicContact CE-CE2 3.73Å; M70-F88 HydrophobicContact CE-CZ 4.17Å; M70-L92 HydrophobicContact CE-CD1 3.67Å; M70-L92 HydrophobicContact CE-CD2 3.71Å; M70-L92 HydrophobicContact CE-CG 4.27Å; M70-I93 WeakPolarHBondContact CA-O 3.47Å; M70-A94 HydrophobicContact CE-CB 4.45Å; M70-A94 HydrophobicContact CG-CB 4.4Å; M70-Y97 HydrophobicContact CE-CD2 3.99Å; M70-Y97 HydrophobicContact CE-CE2 4.19Å; M70-Y97 HydrophobicContact CE-CG 4.19Å; M70-Y97 HydrophobicContact CG-CD2 3.56Å; M70-Y97 HydrophobicContact CG-CE2 4.17Å; M70-Y97 HydrophobicContact CG-CG 4.26Å; M70-Y97 HydrophobicContact SD-CD2 3.21Å; M70-Y97 WeakPolarHBondContact SD-CD2 3.41Å; M70-Y97 HydrophobicContact SD-CE2 3.25Å; M70-Y97 WeakPolarHBondContact SD-CE2 3.05Å; M70-Y97 HydrophobicContact SD-CG 4Å |
| 71 | L | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.7 | 164.8 | 179.5 | 68.9 | 0 | 0 | 0 | 108.6 | A63 Y64 V65 F73 L92 I93 F146 L168 I170 | A63-L71 HydrophobicContact CB-CD1 3.55Å; A63-L71 HydrophobicContact CB-CD2 4.47Å; A63-L71 HydrophobicContact CB-CG 4.02Å; Y64-L71 WeakPolarHBondContact O-CA 3.46Å; V65-L71 HydrophobicContact CG2-CD1 4.04Å; L71-F73 HydrophobicContact CD2-CE1 4.5Å; L71-F73 HydrophobicContact CD2-CZ 4.19Å; L71-L92 CarbonylContact O-C 3.35Å; L71-L92 WeakPolarHBondContact O-CA 3.22Å; L71-L92 WeakPolarHBondContact O-CB 3.5Å; L71-I93 HydrophobicContact CB-CB 4.46Å; L71-I93 PolarHBondContact N-O 3.25Å; L71-I93 PolarHBondContact O-N 2.89Å; L71-F146 HydrophobicContact CD1-CE1 3.61Å; L71-F146 HydrophobicContact CD1-CZ 4.21Å; L71-F146 HydrophobicContact CD2-CD1 4.19Å; L71-F146 HydrophobicContact CD2-CE1 3.85Å; L71-F146 HydrophobicContact CG-CE1 4.4Å; L71-L168 HydrophobicContact CB-CD2 4.17Å; L71-L168 HydrophobicContact CD2-CD2 4.09Å; L71-I170 HydrophobicContact CD2-CD1 3.53Å |
| 72 | S | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.7 | 177.2 | 55.6 | 0 | 0 | 0 | 0 | 112 | A63 Y64 T75 | A63-S72 CarbonylContact C-O 3.56Å; A63-S72 VanDerWaalsContact CA-O 3.3Å; A63-S72 WeakPolarHBondContact CA-O 3.43Å; A63-S72 WeakPolarHBondContact CB-O 3Å; Y64-S72 PolarHBondContact N-O 2.89Å; Y64-S72 PolarHBondContact O-N 2.83Å; S72-T75 WeakPolarHBondContact CB-O 3.47Å; S72-T75 PolarHBondContact OG-O 2.85Å |
| 73 | F | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -106.5 | 146.8 | 174.8 | -50.3 | -91 | 0 | 0 | 0 | 110.6 | F49 I53 F55 Y60 A63 L71 T75 P91 I93 | F49-F73 HydrophobicContact CE2-CE1 4.46Å; I53-F73 HydrophobicContact CB-CE1 4.31Å; I53-F73 HydrophobicContact CG2-CE1 4.14Å; I53-F73 HydrophobicContact CG2-CZ 4.1Å; F55-F73 HydrophobicContact CB-CE2 4.06Å; F55-F73 HydrophobicContact CB-CZ 4.15Å; F55-F73 AromaticContact CD1-CD2 3.7Å; F55-F73 HydrophobicContact CD1-CD2 3.7Å; F55-F73 AromaticContact CD1-CE2 3.39Å; F55-F73 HydrophobicContact CD1-CE2 3.39Å; F55-F73 HydrophobicContact CD1-CZ 4.3Å; F55-F73 HydrophobicContact CD2-CE2 4.46Å; F55-F73 HydrophobicContact CE1-CD2 4.15Å; F55-F73 AromaticContact CE1-CE2 3.88Å; F55-F73 HydrophobicContact CE1-CE2 3.88Å; F55-F73 HydrophobicContact CG-CD2 4.41Å; F55-F73 AromaticContact CG-CE2 3.71Å; F55-F73 HydrophobicContact CG-CE2 3.71Å; F55-F73 HydrophobicContact CG-CZ 4.22Å; Y60-F73 HydrophobicContact CD1-CB 3.38Å; Y60-F73 HydrophobicContact CD1-CD1 4.22Å; Y60-F73 AromaticContact CD1-CG 3.97Å; Y60-F73 HydrophobicContact CD1-CG 3.97Å; Y60-F73 HydrophobicContact CD2-CB 4.4Å; Y60-F73 HydrophobicContact CD2-CD1 4.12Å; Y60-F73 HydrophobicContact CD2-CG 4.13Å; Y60-F73 HydrophobicContact CE1-CB 3.66Å; Y60-F73 HydrophobicContact CE1-CG 4.36Å; Y60-F73 HydrophobicContact CG-CB 3.77Å; Y60-F73 AromaticContact CG-CD1 3.71Å; Y60-F73 HydrophobicContact CG-CD1 3.71Å; Y60-F73 HydrophobicContact CG-CE1 4.44Å; Y60-F73 AromaticContact CG-CG 3.82Å; Y60-F73 HydrophobicContact CG-CG 3.82Å; A63-F73 HydrophobicContact CB-CD1 3.69Å; A63-F73 HydrophobicContact CB-CE1 3.96Å; A63-F73 HydrophobicContact CB-CG 4.44Å; L71-F73 HydrophobicContact CD2-CE1 4.5Å; L71-F73 HydrophobicContact CD2-CZ 4.19Å; F73-T75 PolarHBondContact O-N 3.09Å; F73-P91 HydrophobicContact CB-CB 4.35Å; F73-P91 HydrophobicContact CB-CG 4Å; F73-P91 HydrophobicContact CD2-CB 4.14Å; F73-P91 PolarHBondContact N-O 3.32Å; F73-I93 HydrophobicContact CE2-CD1 4.14Å; F73-I93 HydrophobicContact CE2-CG1 4.06Å; F73-I93 HydrophobicContact CZ-CD1 4.15Å |
| 74 | N | 84.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 30.8 Ų | 30.8 | 51% | 0.508 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 61.3 | -28.2 | -173.6 | -51.4 | -26.9 | 0 | 0 | 0 | 117.3 | ||
| 75 | T | 85.3 | Confident | 87.3 | Confident | 55 Ų | 55 | 29.1 Ų | 29.1 | 34% | 0.337 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -124 | 128.9 | -169.6 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | Y64 S72 F73 Y90 | Y64-T75 WeakPolarHBondContact CD2-O 3.41Å; S72-T75 WeakPolarHBondContact CB-O 3.47Å; S72-T75 PolarHBondContact OG-O 2.85Å; F73-T75 PolarHBondContact O-N 3.09Å; T75-Y90 HydrophobicContact CG2-CD1 4.39Å |
| 76 | E | 87.2 | Confident | 86.8 | Confident | 105 Ų | 105 | 32.7 Ų | 32.7 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | trans | -73.9 | 138.7 | 169.3 | -173.7 | 176.2 | -177.9 | 0 | 0 | 110.5 | Y64 P78 | Y64-E76 HydrophobicContact CD1-CB 3.89Å; Y64-E76 HydrophobicContact CD1-CG 4.08Å; Y64-E76 HydrophobicContact CE1-CB 3.95Å; Y64-E76 HydrophobicContact CE1-CG 4.42Å; Y64-E76 HydrophobicContact CG-CB 4.27Å; E76-P78 WeakPolarHBondContact O-CD 3.48Å | ||
| 77 | L | 83.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -99.4 | 108.9 | 176.7 | -81.1 | 170.3 | 0 | 0 | 0 | 109.9 | S43 N66 M70 Y90 | S43-L77 WeakPolarHBondContact CB-O 3.5Å; S43-L77 PolarHBondContact OG-O 2.86Å; N66-L77 HydrophobicContact CB-CB 4.1Å; N66-L77 HydrophobicContact CB-CD1 4.08Å; N66-L77 PolarHBondContact ND2-O 3.31Å; N66-L77 VanDerWaalsContact ND2-O 3.1Å; M70-L77 HydrophobicContact CB-CD1 4.04Å; M70-L77 HydrophobicContact CE-CD1 4.43Å; M70-L77 HydrophobicContact SD-CD1 3.65Å; L77-Y90 HydrophobicContact CD2-CE2 3.7Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; L77-Y90 HydrophobicContact CG-CE2 4.43Å | ||
| 78 | P | 67.3 | Low | 86.2 | Confident | 84 Ų | 84 | 38.4 Ų | 38.4 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | trans | -89.6 | -26.8 | -170.2 | 33.6 | -35.7 | 0 | 0 | 0 | 115.4 | E76 | E76-P78 WeakPolarHBondContact O-CD 3.48Š| ||
| 79 | D | 82 | Confident | 85.8 | Confident | 101 Ų | 101 | 45.1 Ų | 45.1 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -144.8 | 155.1 | -168.1 | -62.6 | -81.1 | 0 | 0 | 0 | 111.1 | ||
| 80 | Y | 86.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | trans | -76.4 | 136.8 | 167.6 | 179.9 | -101 | 0 | 0 | 0 | 110.9 | D41 N68 D82 Y97 D99 F197 | D41-Y80 VanDerWaalsContact OD1-CB 3.28Å; D41-Y80 WeakPolarHBondContact OD1-CB 3.42Å; D41-Y80 PolarHBondContact OD1-N 3.28Å; D41-Y80 PolarHBondContact OD2-N 3.3Å; N68-Y80 HydrophobicContact CB-CD2 4.29Å; Y80-D82 HydrophobicContact CE1-CB 3.88Å; Y80-D82 PolarHBondContact OH-OD1 3.2Å; Y80-Y97 AromaticContact CD2-CE2 3.77Å; Y80-Y97 HydrophobicContact CD2-CE2 3.77Å; Y80-Y97 AromaticContact CD2-CZ 3.78Å; Y80-Y97 HydrophobicContact CE2-CD1 4.48Å; Y80-Y97 HydrophobicContact CE2-CD2 4.34Å; Y80-Y97 AromaticContact CE2-CE1 3.98Å; Y80-Y97 HydrophobicContact CE2-CE1 3.98Å; Y80-Y97 AromaticContact CE2-CE2 3.83Å; Y80-Y97 HydrophobicContact CE2-CE2 3.83Å; Y80-Y97 AromaticContact CE2-CZ 3.65Å; Y80-D99 HydrophobicContact CD1-CB 3.72Å; Y80-D99 HydrophobicContact CD2-CB 3.9Å; Y80-D99 HydrophobicContact CE1-CB 3.91Å; Y80-D99 HydrophobicContact CE2-CB 4.08Å; Y80-D99 VanDerWaalsContact CE2-N 3.34Å; Y80-D99 HydrophobicContact CG-CB 3.72Å; Y80-F197 HydrophobicContact CD1-CE2 4.31Å; Y80-F197 WeakPolarHBondContact O-CE2 3.38Å | ||
| 81 | V | 84.4 | Confident | 85.5 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | trans | -130.5 | 127.1 | 175.2 | -173 | 0 | 0 | 0 | 0 | 108.5 | Q83 Y97 | V81-Q83 HydrophobicContact CB-CG 4.09Å; V81-Q83 HydrophobicContact CG1-CB 4.18Å; V81-Q83 HydrophobicContact CG1-CG 3.89Å; V81-Q83 PolarHBondContact O-N 3.36Å; V81-Y97 PolarHBondContact N-OH 3.02Å; V81-Y97 WeakPolarHBondContact O-CE1 3.33Å; V81-Y97 PolarHBondContact O-OH 3.37Å | ||
| 82 | D | 80.4 | Confident | 85.5 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | trans | -81.8 | 64.6 | -176.8 | -158.6 | -0.7 | 0 | 0 | 0 | 111.2 | Y80 V200 P203 H204 | Y80-D82 HydrophobicContact CE1-CB 3.88Å; Y80-D82 PolarHBondContact OH-OD1 3.2Å; D82-V200 HydrophobicContact CB-CG2 4.38Å; D82-P203 VanDerWaalsContact OD2-CA 3.27Å; D82-P203 WeakPolarHBondContact OD2-CA 3.49Å; D82-P203 WeakPolarHBondContact OD2-CB 3.11Å; D82-H204 PolarHBondContact O-CE1 2.98Å; D82-H204 VanDerWaalsContact O-CE1 3.24Å; D82-H204 PolarHBondContact O-ND1 2.82Å; D82-H204 WeakPolarHBondContact OD1-CB 3.42Å; D82-H204 IonicContact OD1-CE1 2.86Å; D82-H204 IonicContact OD1-CG 4Å; D82-H204 PolarHBondContact OD1-N 2.86Å; D82-H204 VanDerWaalsContact OD1-N 3.09Å; D82-H204 IonicContact OD1-ND1 3.79Å; D82-H204 PolarHBondContact OD1-ND1 2.65Å | ||
| 83 | Q | 84 | Confident | 85.6 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | trans | -120 | 163.2 | -177.1 | 60 | 171.1 | 94.1 | 0 | 0 | 111.9 | V81 E87 F88 Q207 | V81-Q83 HydrophobicContact CB-CG 4.09Å; V81-Q83 HydrophobicContact CG1-CB 4.18Å; V81-Q83 HydrophobicContact CG1-CG 3.89Å; V81-Q83 PolarHBondContact O-N 3.36Å; Q83-E87 VanDerWaalsContact NE2-CB 3.31Å; Q83-F88 VanDerWaalsContact CD-CE1 3.47Å; Q83-F88 VanDerWaalsContact CD-CZ 3.47Å; Q83-F88 HydrophobicContact CG-CE1 4.17Å; Q83-F88 HydrophobicContact CG-CE2 4.01Å; Q83-F88 HydrophobicContact CG-CZ 3.63Å; Q83-Q207 PolarHBondContact O-NE2 3.21Å | ||
| 84 | D | 85 | Confident | 85.7 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | trans | -70.3 | 146.8 | 171.7 | -168.3 | -85.8 | 0 | 0 | 0 | 111.2 | T86 E87 N224 | D84-T86 PolarHBondContact O-N 3.08Å; D84-T86 WeakPolarHBondContact OD1-CB 3.25Å; D84-T86 VanDerWaalsContact OD1-CG2 3.32Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.38Å; D84-T86 PolarHBondContact OD1-N 3Å; D84-T86 PolarHBondContact OD1-OG1 2.83Å; D84-E87 PolarHBondContact O-N 2.84Å; D84-E87 VanDerWaalsContact O-N 3.15Å; D84-N224 PolarHBondContact OD2-ND2 2.98Å | ||
| 85 | L | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -56.8 | -32.6 | 177.6 | -84.1 | 177.5 | 0 | 0 | 0 | 112.7 | M70 E87 F88 L92 A94 Y97 Q207 V211 L219 | M70-L85 HydrophobicContact CE-CD2 3.75Å; L85-E87 PolarHBondContact O-N 2.94Å; L85-F88 HydrophobicContact CD2-CD2 4.04Å; L85-F88 HydrophobicContact CD2-CE2 4.06Å; L85-F88 WeakPolarHBondContact O-CD2 3.18Å; L85-F88 PolarHBondContact O-N 3.45Å; L85-L92 HydrophobicContact CD2-CD1 4.12Å; L85-A94 HydrophobicContact CD1-CB 3.76Å; L85-A94 HydrophobicContact CD2-CB 3.6Å; L85-A94 HydrophobicContact CG-CB 4.37Å; L85-Y97 HydrophobicContact CD2-CD1 4.24Å; L85-Y97 HydrophobicContact CD2-CG 4.41Å; L85-Q207 HydrophobicContact CD1-CB 3.48Å; L85-Q207 VanDerWaalsContact CD1-CB 3.48Å; L85-Q207 HydrophobicContact CG-CB 3.74Å; L85-V211 HydrophobicContact CB-CG2 4.2Å; L85-L219 HydrophobicContact CB-CD2 3.95Å; L85-L219 HydrophobicContact CD1-CD2 3.86Å |
| 86 | T | 84.7 | Confident | 86.6 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 45% | 0.454 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -68.2 | -18.8 | -179.1 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | D84 F88 P217 L219 | D84-T86 PolarHBondContact O-N 3.08Å; D84-T86 WeakPolarHBondContact OD1-CB 3.25Å; D84-T86 VanDerWaalsContact OD1-CG2 3.32Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.38Å; D84-T86 PolarHBondContact OD1-N 3Å; D84-T86 PolarHBondContact OD1-OG1 2.83Å; T86-F88 VanDerWaalsContact C-N 3.27Å; T86-F88 PolarHBondContact O-N 3.15Å; T86-P217 HydrophobicContact CG2-CB 4.02Å; T86-P217 HydrophobicContact CG2-CG 3.63Å; T86-L219 HydrophobicContact CG2-CD1 4.42Å |
| 87 | E | 84.9 | Confident | 87 | Confident | 115 Ų | 115 | 36.4 Ų | 36.4 | 54% | 0.537 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -77.5 | -9.4 | 177.6 | -67.7 | 177.5 | -149.2 | 0 | 0 | 113.2 | Q83 D84 L85 N89 | Q83-E87 VanDerWaalsContact NE2-CB 3.31Å; D84-E87 PolarHBondContact O-N 2.84Å; D84-E87 VanDerWaalsContact O-N 3.15Å; L85-E87 PolarHBondContact O-N 2.94Å; E87-N89 PolarHBondContact O-N 2.89Å; E87-N89 VanDerWaalsContact O-N 3.16Å; E87-N89 PolarHBondContact O-ND2 3.09Å; E87-N89 VanDerWaalsContact O-ND2 3.11Å |
| 88 | F | 84.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | trans | -77.1 | 102.3 | -179 | -73.1 | -63.8 | 0 | 0 | 0 | 113.3 | M70 Q83 L85 T86 Y90 L92 Y97 V211 | M70-F88 HydrophobicContact CE-CD2 4.03Å; M70-F88 HydrophobicContact CE-CE2 3.73Å; M70-F88 HydrophobicContact CE-CZ 4.17Å; Q83-F88 VanDerWaalsContact CD-CE1 3.47Å; Q83-F88 VanDerWaalsContact CD-CZ 3.47Å; Q83-F88 HydrophobicContact CG-CE1 4.17Å; Q83-F88 HydrophobicContact CG-CE2 4.01Å; Q83-F88 HydrophobicContact CG-CZ 3.63Å; L85-F88 HydrophobicContact CD2-CD2 4.04Å; L85-F88 HydrophobicContact CD2-CE2 4.06Å; L85-F88 WeakPolarHBondContact O-CD2 3.18Å; L85-F88 PolarHBondContact O-N 3.45Å; T86-F88 VanDerWaalsContact C-N 3.27Å; T86-F88 PolarHBondContact O-N 3.15Å; F88-Y90 HydrophobicContact CB-CE2 4.31Å; F88-Y90 HydrophobicContact CD1-CE1 4.44Å; F88-Y90 AromaticContact CD1-CE2 3.76Å; F88-Y90 HydrophobicContact CD1-CE2 3.76Å; F88-Y90 AromaticContact CD1-CZ 3.58Å; F88-Y90 VanDerWaalsContact CD1-OH 3.23Å; F88-Y90 WeakPolarHBondContact CD1-OH 3.41Å; F88-Y90 HydrophobicContact CE1-CE2 4.5Å; F88-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F88-Y90 HydrophobicContact CG-CE2 4.32Å; F88-Y90 PolarHBondContact O-N 2.89Å; F88-L92 HydrophobicContact CB-CD2 3.5Å; F88-L92 VanDerWaalsContact CB-CD2 3.5Å; F88-L92 HydrophobicContact CD1-CD2 4.25Å; F88-L92 HydrophobicContact CD2-CD2 3.92Å; F88-L92 HydrophobicContact CG-CD2 3.64Å; F88-Y97 HydrophobicContact CE2-CD1 4.38Å; F88-Y97 AromaticContact CE2-CE1 3.86Å; F88-Y97 HydrophobicContact CE2-CE1 3.86Å; F88-Y97 AromaticContact CZ-CE1 3.91Å; F88-Y97 HydrophobicContact CZ-CE1 3.91Å; F88-Y97 AromaticContact CZ-CZ 3.85Å; F88-V211 HydrophobicContact CB-CG1 4.49Å | ||
| 89 | N | 83.2 | Confident | 88.3 | Confident | 140 Ų | 140 | 32.3 Ų | 32.3 | 75% | 0.749 | 17% | 0.169 | S | C | * | . | trans | -74.9 | 35.5 | 177.7 | -75.8 | -85.6 | 0 | 0 | 0 | 114.4 | E87 P213 | E87-N89 PolarHBondContact O-N 2.89Å; E87-N89 VanDerWaalsContact O-N 3.16Å; E87-N89 PolarHBondContact O-ND2 3.09Å; E87-N89 VanDerWaalsContact O-ND2 3.11Å; N89-P213 WeakPolarHBondContact O-CG 3.43Å | ||
| 90 | Y | 87 | Confident | 88.7 | Confident | 59 Ų | 59 | 27.5 Ų | 27.5 | 23% | 0.231 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -154.5 | 150.6 | 174.1 | 39.2 | -102.4 | 0 | 0 | 0 | 112.4 | T75 L77 F88 L92 | T75-Y90 HydrophobicContact CG2-CD1 4.39Å; L77-Y90 HydrophobicContact CD2-CE2 3.7Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; L77-Y90 HydrophobicContact CG-CE2 4.43Å; F88-Y90 HydrophobicContact CB-CE2 4.31Å; F88-Y90 HydrophobicContact CD1-CE1 4.44Å; F88-Y90 AromaticContact CD1-CE2 3.76Å; F88-Y90 HydrophobicContact CD1-CE2 3.76Å; F88-Y90 AromaticContact CD1-CZ 3.58Å; F88-Y90 VanDerWaalsContact CD1-OH 3.23Å; F88-Y90 WeakPolarHBondContact CD1-OH 3.41Å; F88-Y90 HydrophobicContact CE1-CE2 4.5Å; F88-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F88-Y90 HydrophobicContact CG-CE2 4.32Å; F88-Y90 PolarHBondContact O-N 2.89Å; Y90-L92 HydrophobicContact CD2-CD2 3.83Å; Y90-L92 HydrophobicContact CE2-CD2 3.73Å; Y90-L92 PolarHBondContact O-N 2.66Å |
| 91 | P | 91.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | trans | -64.6 | 123.3 | -174.3 | 26.6 | -36.4 | 0 | 0 | 0 | 112.2 | F55 Y60 F73 V211 | F55-P91 HydrophobicContact CD1-CB 4.04Å; F55-P91 HydrophobicContact CE1-CB 3.95Å; Y60-P91 HydrophobicContact CE1-CB 4.22Å; Y60-P91 HydrophobicContact CE1-CG 3.7Å; Y60-P91 VanDerWaalsContact OH-CB 3.31Å; Y60-P91 WeakPolarHBondContact OH-CB 3.41Å; Y60-P91 WeakPolarHBondContact OH-CG 3.33Å; F73-P91 HydrophobicContact CB-CB 4.35Å; F73-P91 HydrophobicContact CB-CG 4Å; F73-P91 HydrophobicContact CD2-CB 4.14Å; F73-P91 PolarHBondContact N-O 3.32Å; P91-V211 CarbonylContact C-O 3.34Å; P91-V211 WeakPolarHBondContact CA-O 3.01Å | ||
| 92 | L | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 160.4 | -179 | 64.8 | 84.4 | 0 | 0 | 0 | 114 | F55 M70 L71 L85 F88 Y90 A94 V211 | F55-L92 VanDerWaalsContact CZ-O 3.24Å; F55-L92 WeakPolarHBondContact CZ-O 3.46Å; M70-L92 HydrophobicContact CE-CD1 3.67Å; M70-L92 HydrophobicContact CE-CD2 3.71Å; M70-L92 HydrophobicContact CE-CG 4.27Å; L71-L92 CarbonylContact O-C 3.35Å; L71-L92 WeakPolarHBondContact O-CA 3.22Å; L71-L92 WeakPolarHBondContact O-CB 3.5Å; L85-L92 HydrophobicContact CD2-CD1 4.12Å; F88-L92 HydrophobicContact CB-CD2 3.5Å; F88-L92 VanDerWaalsContact CB-CD2 3.5Å; F88-L92 HydrophobicContact CD1-CD2 4.25Å; F88-L92 HydrophobicContact CD2-CD2 3.92Å; F88-L92 HydrophobicContact CG-CD2 3.64Å; Y90-L92 HydrophobicContact CD2-CD2 3.83Å; Y90-L92 HydrophobicContact CE2-CD2 3.73Å; Y90-L92 PolarHBondContact O-N 2.66Å; L92-A94 HydrophobicContact CD1-CB 4.42Å; L92-V211 HydrophobicContact CD1-CB 4.06Å; L92-V211 HydrophobicContact CD1-CG2 4.19Å; L92-V211 HydrophobicContact CG-CB 4.17Å; L92-V211 PolarHBondContact N-O 3.14Å; L92-V211 PolarHBondContact O-N 2.7Å |
| 93 | I | 96.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116 | 173.5 | -53 | -176.2 | 0 | 0 | 0 | 107.7 | F55 M70 L71 F73 L168 I170 F210 I247 | F55-I93 HydrophobicContact CD2-CD1 4.01Å; F55-I93 HydrophobicContact CD2-CG1 4.25Å; F55-I93 HydrophobicContact CE1-CG1 4.45Å; F55-I93 HydrophobicContact CE2-CD1 3.95Å; F55-I93 HydrophobicContact CE2-CG1 3.75Å; F55-I93 HydrophobicContact CZ-CD1 4.49Å; F55-I93 HydrophobicContact CZ-CG1 3.84Å; M70-I93 WeakPolarHBondContact CA-O 3.47Å; L71-I93 HydrophobicContact CB-CB 4.46Å; L71-I93 PolarHBondContact N-O 3.25Å; L71-I93 PolarHBondContact O-N 2.89Å; F73-I93 HydrophobicContact CE2-CD1 4.14Å; F73-I93 HydrophobicContact CE2-CG1 4.06Å; F73-I93 HydrophobicContact CZ-CD1 4.15Å; I93-L168 HydrophobicContact CB-CD2 4.44Å; I93-L168 HydrophobicContact CG2-CD1 4.33Å; I93-L168 HydrophobicContact CG2-CD2 4.03Å; I93-I170 HydrophobicContact CD1-CD1 3.82Å; I93-F210 HydrophobicContact CB-CD1 4.33Å; I93-F210 HydrophobicContact CD1-CD1 4.12Å; I93-F210 HydrophobicContact CD1-CE1 4.28Å; I93-F210 HydrophobicContact CG1-CD1 3.93Å; I93-F210 HydrophobicContact CG1-CE1 4.44Å; I93-F210 HydrophobicContact CG2-CD1 3.75Å; I93-F210 HydrophobicContact CG2-CE1 3.67Å; I93-I247 HydrophobicContact CD1-CD1 4.13Å |
| 94 | A | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | M70 L85 L92 A208 G209 | M70-A94 HydrophobicContact CE-CB 4.45Å; M70-A94 HydrophobicContact CG-CB 4.4Å; L85-A94 HydrophobicContact CD1-CB 3.76Å; L85-A94 HydrophobicContact CD2-CB 3.6Å; L85-A94 HydrophobicContact CG-CB 4.37Å; L92-A94 HydrophobicContact CD1-CB 4.42Å; A94-A208 CarbonylContact O-C 3.48Å; A94-A208 VanDerWaalsContact O-CA 3.28Å; A94-A208 WeakPolarHBondContact O-CA 3.38Å; A94-G209 PolarHBondContact N-O 2.91Å; A94-G209 PolarHBondContact O-N 2.86Å |
| 95 | I | 95 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -31.6 | 171.2 | -178.9 | 165.3 | 0 | 0 | 0 | 111 | G69 W150 F166 Q167 L168 L181 Y183 | G69-I95 VanDerWaalsContact O-CG2 3.32Å; G69-I95 WeakPolarHBondContact O-CG2 3.5Å; G69-I95 PolarHBondContact O-N 2.9Å; I95-W150 HydrophobicContact CG2-CE3 4.04Å; I95-W150 HydrophobicContact CG2-CH2 3.88Å; I95-W150 HydrophobicContact CG2-CZ3 3.56Å; I95-F166 HydrophobicContact CB-CD2 4.39Å; I95-F166 HydrophobicContact CD1-CB 4.17Å; I95-F166 HydrophobicContact CD1-CD2 4.1Å; I95-F166 HydrophobicContact CG1-CB 4.41Å; I95-F166 HydrophobicContact CG1-CD2 3.95Å; I95-F166 HydrophobicContact CG2-CD2 3.62Å; I95-F166 HydrophobicContact CG2-CE2 3.74Å; I95-Q167 VanDerWaalsContact CD1-O 3.26Å; I95-Q167 WeakPolarHBondContact CD1-O 3.35Å; I95-L168 HydrophobicContact CD1-CB 3.96Å; I95-L181 HydrophobicContact CB-CD2 4.49Å; I95-L181 HydrophobicContact CD1-CB 4.15Å; I95-L181 HydrophobicContact CD1-CG 4.18Å; I95-L181 HydrophobicContact CG1-CB 4.45Å; I95-L181 HydrophobicContact CG1-CD2 4.29Å; I95-L181 HydrophobicContact CG1-CG 4.25Å; I95-Y183 HydrophobicContact CG1-CE1 3.96Å; I95-Y183 WeakPolarHBondContact O-CE1 3.28Å; I95-Y183 PolarHBondContact O-OH 3.22Å |
| 96 | F | 94.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 79.6 | 173.6 | -175.7 | -101.2 | 0 | 0 | 0 | 109.8 | G69 A98 I100 N164 F166 M188 W190 A206 Q207 M228 | G69-F96 WeakPolarHBondContact CA-O 2.98Å; G69-F96 PolarHBondContact O-N 3.46Å; F96-A98 HydrophobicContact CD1-CB 4.42Å; F96-A98 HydrophobicContact CE1-CB 3.99Å; F96-A98 PolarHBondContact O-N 3.21Å; F96-A98 VanDerWaalsContact O-N 3.16Å; F96-I100 HydrophobicContact CD1-CD1 4.46Å; F96-N164 VanDerWaalsContact CE1-ND2 3.33Å; F96-N164 WeakPolarHBondContact CE1-ND2 3.42Å; F96-N164 WeakPolarHBondContact CZ-ND2 3.08Å; F96-F166 HydrophobicContact CB-CD1 4.21Å; F96-F166 HydrophobicContact CB-CD2 4.15Å; F96-F166 HydrophobicContact CB-CE1 3.85Å; F96-F166 HydrophobicContact CB-CE2 3.77Å; F96-F166 HydrophobicContact CB-CG 4.36Å; F96-F166 HydrophobicContact CB-CZ 3.62Å; F96-F166 AromaticContact CD1-CE1 3.71Å; F96-F166 HydrophobicContact CD1-CE1 3.71Å; F96-F166 AromaticContact CD1-CZ 3.86Å; F96-F166 HydrophobicContact CD1-CZ 3.86Å; F96-F166 HydrophobicContact CG-CD1 4.45Å; F96-F166 AromaticContact CG-CE1 3.97Å; F96-F166 HydrophobicContact CG-CE1 3.97Å; F96-F166 HydrophobicContact CG-CZ 4.11Å; F96-M188 HydrophobicContact CB-CE 4.35Å; F96-M188 HydrophobicContact CD1-CE 4.13Å; F96-M188 HydrophobicContact CD2-CE 3.2Å; F96-M188 HydrophobicContact CE1-CE 4.24Å; F96-M188 HydrophobicContact CE2-CE 3.32Å; F96-M188 HydrophobicContact CG-CE 3.64Å; F96-M188 HydrophobicContact CZ-CE 3.86Å; F96-W190 HydrophobicContact CE1-CE3 4.19Å; F96-W190 AromaticContact CE1-CH2 3.74Å; F96-W190 HydrophobicContact CE1-CH2 3.74Å; F96-W190 HydrophobicContact CE1-CZ2 4.08Å; F96-W190 AromaticContact CE1-CZ3 3.79Å; F96-W190 HydrophobicContact CE1-CZ3 3.79Å; F96-W190 HydrophobicContact CZ-CE3 4.24Å; F96-W190 HydrophobicContact CZ-CZ3 4.21Å; F96-W190 WeakPolarHBondContact CZ-O 3.18Å; F96-A206 HydrophobicContact CD1-CB 4.47Å; F96-A206 HydrophobicContact CD2-CB 3.79Å; F96-A206 HydrophobicContact CE1-CB 4Å; F96-A206 HydrophobicContact CE2-CB 3.24Å; F96-A206 HydrophobicContact CG-CB 4.38Å; F96-A206 HydrophobicContact CZ-CB 3.36Å; F96-Q207 CarbonylContact C-O 3.51Å; F96-Q207 WeakPolarHBondContact CA-O 3.37Å; F96-M228 HydrophobicContact CD2-CE 3.79Å; F96-M228 HydrophobicContact CD2-CG 4.39Å; F96-M228 HydrophobicContact CD2-SD 4.09Å; F96-M228 HydrophobicContact CE2-CE 4.24Å; F96-M228 HydrophobicContact CE2-CG 3.93Å; F96-M228 HydrophobicContact CE2-SD 4.2Å |
| 97 | Y | 94 | Very high | 81.4 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 109 | 179.9 | -173 | -132 | 0 | 0 | 0 | 111.2 | N68 M70 Y80 V81 L85 F88 A206 Q207 | N68-Y97 HydrophobicContact CB-CD2 4.21Å; N68-Y97 HydrophobicContact CB-CE2 4.09Å; N68-Y97 WeakPolarHBondContact O-CA 3.49Å; N68-Y97 WeakPolarHBondContact O-CD2 3.14Å; M70-Y97 HydrophobicContact CE-CD2 3.99Å; M70-Y97 HydrophobicContact CE-CE2 4.19Å; M70-Y97 HydrophobicContact CE-CG 4.19Å; M70-Y97 HydrophobicContact CG-CD2 3.56Å; M70-Y97 HydrophobicContact CG-CE2 4.17Å; M70-Y97 HydrophobicContact CG-CG 4.26Å; M70-Y97 HydrophobicContact SD-CD2 3.21Å; M70-Y97 WeakPolarHBondContact SD-CD2 3.41Å; M70-Y97 HydrophobicContact SD-CE2 3.25Å; M70-Y97 WeakPolarHBondContact SD-CE2 3.05Å; M70-Y97 HydrophobicContact SD-CG 4Å; Y80-Y97 AromaticContact CD2-CE2 3.77Å; Y80-Y97 HydrophobicContact CD2-CE2 3.77Å; Y80-Y97 AromaticContact CD2-CZ 3.78Å; Y80-Y97 HydrophobicContact CE2-CD1 4.48Å; Y80-Y97 HydrophobicContact CE2-CD2 4.34Å; Y80-Y97 AromaticContact CE2-CE1 3.98Å; Y80-Y97 HydrophobicContact CE2-CE1 3.98Å; Y80-Y97 AromaticContact CE2-CE2 3.83Å; Y80-Y97 HydrophobicContact CE2-CE2 3.83Å; Y80-Y97 AromaticContact CE2-CZ 3.65Å; V81-Y97 PolarHBondContact N-OH 3.02Å; V81-Y97 WeakPolarHBondContact O-CE1 3.33Å; V81-Y97 PolarHBondContact O-OH 3.37Å; L85-Y97 HydrophobicContact CD2-CD1 4.24Å; L85-Y97 HydrophobicContact CD2-CG 4.41Å; F88-Y97 HydrophobicContact CE2-CD1 4.38Å; F88-Y97 AromaticContact CE2-CE1 3.86Å; F88-Y97 HydrophobicContact CE2-CE1 3.86Å; F88-Y97 AromaticContact CZ-CE1 3.91Å; F88-Y97 HydrophobicContact CZ-CE1 3.91Å; F88-Y97 AromaticContact CZ-CZ 3.85Å; Y97-A206 VanDerWaalsContact O-CA 3.25Å; Y97-A206 WeakPolarHBondContact O-CA 3.41Å; Y97-Q207 PolarHBondContact N-O 3Å; Y97-Q207 PolarHBondContact O-N 3.47Å; Y97-Q207 VanDerWaalsContact O-N 3.09Å |
| 98 | A | 91 | Very high | 80.3 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -165.1 | 157.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N68 F96 I100 W190 A206 | N68-A98 WeakPolarHBondContact CA-O 3.46Å; N68-A98 VanDerWaalsContact CB-O 3.25Å; N68-A98 WeakPolarHBondContact CB-O 3.06Å; N68-A98 PolarHBondContact O-N 2.74Å; N68-A98 PolarHBondContact OD1-O 3.11Å; F96-A98 HydrophobicContact CD1-CB 4.42Å; F96-A98 HydrophobicContact CE1-CB 3.99Å; F96-A98 PolarHBondContact O-N 3.21Å; F96-A98 VanDerWaalsContact O-N 3.16Å; A98-I100 WeakPolarHBondContact O-CG1 3.43Å; A98-I100 PolarHBondContact O-N 2.79Å; A98-I100 VanDerWaalsContact O-N 3.12Å; A98-W190 HydrophobicContact CB-CH2 4.03Å; A98-W190 HydrophobicContact CB-CZ3 3.68Å; A98-A206 HydrophobicContact CB-CB 3.9Å |
| 99 | D | 88.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | trans | -64.2 | 103.5 | 178.8 | -168.2 | 9.5 | 0 | 0 | 0 | 111.7 | N68 Y80 Y156 S193 K196 | N68-D99 WeakPolarHBondContact OD1-CA 3.44Å; Y80-D99 HydrophobicContact CD1-CB 3.72Å; Y80-D99 HydrophobicContact CD2-CB 3.9Å; Y80-D99 HydrophobicContact CE1-CB 3.91Å; Y80-D99 HydrophobicContact CE2-CB 4.08Å; Y80-D99 VanDerWaalsContact CE2-N 3.34Å; Y80-D99 HydrophobicContact CG-CB 3.72Å; D99-Y156 PolarHBondContact O-N 3.32Å; D99-Y156 WeakPolarHBondContact OD1-CB 3.31Å; D99-Y156 VanDerWaalsContact OD2-CB 3.22Å; D99-Y156 WeakPolarHBondContact OD2-CB 3.33Å; D99-Y156 VanDerWaalsContact OD2-CD1 3.28Å; D99-Y156 WeakPolarHBondContact OD2-CD1 3.29Å; D99-Y156 VanDerWaalsContact OD2-CG 3.3Å; D99-S193 WeakPolarHBondContact CB-OG 3.02Å; D99-K196 IonicContact OD1-NZ 3.15Å; D99-K196 PolarHBondContact OD1-NZ 3.5Å; D99-K196 WeakPolarHBondContact OD2-CB 3.47Å; D99-K196 IonicContact OD2-NZ 2.74Å | ||
| 100 | I | 89.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125 | -169 | -81.3 | 169.9 | 0 | 0 | 0 | 111.2 | S67 N68 F96 A98 T102 V153 G154 F166 W190 | S67-I100 WeakPolarHBondContact O-CD1 3.35Å; N68-I100 PolarHBondContact OD1-N 3.22Å; F96-I100 HydrophobicContact CD1-CD1 4.46Å; A98-I100 WeakPolarHBondContact O-CG1 3.43Å; A98-I100 PolarHBondContact O-N 2.79Å; A98-I100 VanDerWaalsContact O-N 3.12Å; I100-T102 HydrophobicContact CG2-CG2 4.1Å; I100-V153 HydrophobicContact CD1-CG2 4.12Å; I100-V153 HydrophobicContact CG2-CB 3.86Å; I100-V153 HydrophobicContact CG2-CG1 4Å; I100-G154 WeakPolarHBondContact CA-O 3.37Å; I100-F166 HydrophobicContact CD1-CZ 3.93Å; I100-W190 HydrophobicContact CG1-CH2 3.66Å; I100-W190 HydrophobicContact CG1-CZ2 3.91Å |
| 101 | D | 80.7 | Confident | 80.7 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.8 | 175.5 | -150.4 | -33.7 | 0 | 0 | 0 | 111.5 | F103 G154 K157 | D101-F103 VanDerWaalsContact OD1-CB 3.27Å; D101-F103 WeakPolarHBondContact OD1-CB 3.24Å; D101-F103 PolarHBondContact OD1-N 3.12Å; D101-G154 PolarHBondContact N-O 2.04Å; D101-K157 PolarHBondContact OD2-N 2.82Å |
| 102 | T | 79.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | trans | -124.7 | 5.1 | 168.5 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | P38 W39 I100 I111 | P38-T102 WeakPolarHBondContact CA-OG1 3.5Å; P38-T102 VanDerWaalsContact CB-O 3.26Å; P38-T102 WeakPolarHBondContact CB-O 3.43Å; W39-T102 PolarHBondContact N-OG1 2.92Å; W39-T102 PolarHBondContact O-OG1 2.96Å; I100-T102 HydrophobicContact CG2-CG2 4.1Å; T102-I111 HydrophobicContact CG2-CD1 4.18Å | ||
| 103 | F | 71.5 | Confident | 80.9 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 45% | 0.447 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.6 | 151.7 | -169.4 | -154.6 | -121.7 | 0 | 0 | 0 | 112.5 | W39 D101 E105 | W39-F103 HydrophobicContact CD2-CD2 4.03Å; W39-F103 AromaticContact CD2-CE2 3.63Å; W39-F103 HydrophobicContact CD2-CE2 3.63Å; W39-F103 AromaticContact CE2-CE2 3.79Å; W39-F103 AromaticContact CE3-CD2 3.83Å; W39-F103 HydrophobicContact CE3-CD2 3.83Å; W39-F103 AromaticContact CE3-CE2 3.39Å; W39-F103 HydrophobicContact CE3-CE2 3.39Å; W39-F103 HydrophobicContact CE3-CZ 4.11Å; W39-F103 HydrophobicContact CG-CE2 4.46Å; W39-F103 AromaticContact CH2-CE2 3.54Å; W39-F103 HydrophobicContact CH2-CE2 3.54Å; W39-F103 AromaticContact CH2-CZ 3.65Å; W39-F103 HydrophobicContact CH2-CZ 3.65Å; W39-F103 AromaticContact CZ2-CE2 3.76Å; W39-F103 HydrophobicContact CZ2-CE2 3.76Å; W39-F103 HydrophobicContact CZ2-CZ 4.22Å; W39-F103 HydrophobicContact CZ3-CD2 4.18Å; W39-F103 AromaticContact CZ3-CE2 3.35Å; W39-F103 HydrophobicContact CZ3-CE2 3.35Å; W39-F103 AromaticContact CZ3-CZ 3.59Å; W39-F103 HydrophobicContact CZ3-CZ 3.59Å; D101-F103 VanDerWaalsContact OD1-CB 3.27Å; D101-F103 WeakPolarHBondContact OD1-CB 3.24Å; D101-F103 PolarHBondContact OD1-N 3.12Å; F103-E105 PolarHBondContact O-N 2.82Å |
| 104 | P | 53.2 | Low | 80.9 | Confident | 92 Ų | 92 | 44.4 Ų | 44.4 | 60% | 0.597 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -88.6 | 69.4 | -154.3 | 35 | -37 | 0 | 0 | 0 | 115.6 | ||
| 105 | E | 51.7 | Low | 80.9 | Confident | 199 Ų | 199 | 46.7 Ų | 46.7 | 93% | 0.93 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -113.8 | 64.7 | 158.2 | -71.2 | -147.5 | 149.5 | 0 | 0 | 113.2 | F103 | F103-E105 PolarHBondContact O-N 2.82Š|
| 106 | G | 49.8 | Very low | 80.8 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 100.4 | -12.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 107 | Q | 53.5 | Low | 80.7 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -139.6 | 90.2 | 174.1 | -69.3 | -171.4 | -3.1 | 0 | 0 | 111.9 | G109 | Q107-G109 PolarHBondContact O-N 3.36Š|
| 108 | N | 63.3 | Low | 80.7 | Confident | 109 Ų | 109 | 55.3 Ų | 55.3 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | trans | -67.6 | 99.8 | -171 | -58 | 47.5 | 0 | 0 | 0 | 114.1 | ||||
| 109 | G | 80 | Confident | 80.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -63.4 | 157 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q107 D151 S152 | Q107-G109 PolarHBondContact O-N 3.36Å; G109-D151 CarbonylContact C-O 3.56Å; G109-D151 VanDerWaalsContact CA-O 3.24Å; G109-D151 WeakPolarHBondContact CA-O 3.33Å; G109-S152 WeakPolarHBondContact CA-O 3.38Å | ||
| 110 | R | 89.4 | Confident | 80.6 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.1 | -179 | -53.6 | -177.7 | -153.1 | -172.1 | 8.9 | 111.3 | Q35 L112 D151 | Q35-R110 HydrophobicContact CG-CB 4.47Å; R110-L112 HydrophobicContact CB-CD1 4.3Å; R110-D151 PolarHBondContact N-O 2.73Å; R110-D151 PolarHBondContact O-N 2.73Å |
| 111 | I | 92.7 | Very high | 80.8 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.4 | 177.8 | -55.1 | 175 | 0 | 0 | 0 | 107.3 | Q35 L36 V65 S67 T102 T149 W150 V153 | Q35-I111 CarbonylContact C-O 3.52Å; Q35-I111 WeakPolarHBondContact CA-O 3.45Å; Q35-I111 WeakPolarHBondContact CG-O 3.39Å; L36-I111 HydrophobicContact CB-CB 3.99Å; L36-I111 HydrophobicContact CB-CG2 4.44Å; L36-I111 HydrophobicContact CD2-CB 4.29Å; L36-I111 HydrophobicContact CD2-CD1 4.12Å; L36-I111 HydrophobicContact CD2-CG2 4.42Å; L36-I111 PolarHBondContact N-O 2.83Å; V65-I111 HydrophobicContact CG1-CG2 3.87Å; S67-I111 VanDerWaalsContact CA-CD1 3.5Å; S67-I111 WeakPolarHBondContact O-CD1 3.36Å; T102-I111 HydrophobicContact CG2-CD1 4.18Å; I111-T149 WeakPolarHBondContact CA-O 3.43Å; I111-W150 HydrophobicContact CD1-CG 4.45Å; I111-W150 HydrophobicContact CG1-CG 4.17Å; I111-W150 HydrophobicContact CG2-CD2 4.38Å; I111-W150 HydrophobicContact CG2-CG 4.36Å; I111-V153 HydrophobicContact CG1-CG1 4.28Å |
| 112 | L | 94.5 | Very high | 81.4 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.1 | -163.6 | -75.4 | 156.6 | 0 | 0 | 0 | 109.7 | Y27 D33 K34 Q35 R110 V148 T149 | Y27-L112 HydrophobicContact CD2-CD1 3.81Å; Y27-L112 HydrophobicContact CE2-CD1 4.03Å; D33-L112 HydrophobicContact CB-CB 4.39Å; D33-L112 HydrophobicContact CB-CD2 4.01Å; K34-L112 CarbonylContact O-C 3.54Å; K34-L112 WeakPolarHBondContact O-CA 3.1Å; Q35-L112 HydrophobicContact CB-CD2 3.87Å; Q35-L112 HydrophobicContact CG-CD2 3.79Å; Q35-L112 HydrophobicContact CG-CG 4.2Å; R110-L112 HydrophobicContact CB-CD1 4.3Å; L112-V148 CarbonylContact O-C 3.51Å; L112-V148 WeakPolarHBondContact O-CA 3.03Å; L112-T149 PolarHBondContact N-O 3.06Å; L112-T149 PolarHBondContact O-N 2.86Å |
| 113 | Y | 95.8 | Very high | 81.9 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 4% | 0.043 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146 | -173.7 | 63.5 | -82.9 | 0 | 0 | 0 | 114 | D33 K34 V47 V65 I147 | D33-Y113 WeakPolarHBondContact CA-O 3.25Å; K34-Y113 HydrophobicContact CB-CD1 4.27Å; K34-Y113 HydrophobicContact CB-CD2 4.22Å; K34-Y113 HydrophobicContact CB-CE1 3.8Å; K34-Y113 HydrophobicContact CB-CE2 3.76Å; K34-Y113 HydrophobicContact CB-CG 4.45Å; K34-Y113 HydrophobicContact CD-CE2 3.63Å; K34-Y113 VanDerWaalsContact CD-OH 3.3Å; K34-Y113 WeakPolarHBondContact CD-OH 3.43Å; K34-Y113 HydrophobicContact CG-CE2 4.25Å; K34-Y113 PolarHBondContact N-O 2.89Å; K34-Y113 PolarHBondContact O-N 3.44Å; V47-Y113 HydrophobicContact CG1-CD2 4.42Å; V47-Y113 HydrophobicContact CG2-CD2 3.86Å; V47-Y113 HydrophobicContact CG2-CE2 3.54Å; V65-Y113 HydrophobicContact CG2-CD1 4.49Å; V65-Y113 HydrophobicContact CG2-CD2 4.4Å; V65-Y113 HydrophobicContact CG2-CG 4.11Å; Y113-I147 CarbonylContact C-O 3.25Å; Y113-I147 VanDerWaalsContact CA-O 3.24Å; Y113-I147 WeakPolarHBondContact CA-O 3.44Å |
| 114 | R | 95.2 | Very high | 82.9 | Confident | 29 Ų | 29 | 68 Ų | 68 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 155.2 | 171.2 | 54.6 | 170.1 | 178.8 | 130.9 | 14.9 | 113.1 | P26 Y31 D33 F146 I147 | P26-R114 PolarHBondContact O-NH2 2.86Å; Y31-R114 WeakPolarHBondContact O-CD 3.35Å; Y31-R114 PolarHBondContact O-NH1 2.84Å; Y31-R114 VanDerWaalsContact O-NH1 3.1Å; D33-R114 WeakPolarHBondContact OD1-CD 3.09Å; D33-R114 IonicContact OD1-NE 2.78Å; D33-R114 PolarHBondContact OD1-NE 2.97Å; R114-F146 WeakPolarHBondContact O-CD2 3.03Å; R114-I147 PolarHBondContact N-O 3.42Å; R114-I147 PolarHBondContact O-N 3.1Å |
| 115 | T | 94.9 | Very high | 84.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 150.7 | 156.5 | 50 | 0 | 0 | 0 | 0 | 109.9 | F49 M144 L145 F146 | F49-T115 HydrophobicContact CD1-CG2 3.73Å; F49-T115 HydrophobicContact CE1-CG2 4.2Å; T115-M144 HydrophobicContact CG2-CE 4.47Å; T115-M144 HydrophobicContact CG2-SD 3.84Å; T115-L145 CarbonylContact C-O 3.56Å; T115-L145 WeakPolarHBondContact CA-O 3.46Å; T115-F146 HydrophobicContact CG2-CD2 3.83Å |
| 116 | T | 94.2 | Very high | 86.8 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 143.6 | 174 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | S118 L121 M144 L145 I147 | T116-S118 WeakPolarHBondContact OG1-CB 3.14Å; T116-S118 PolarHBondContact OG1-N 3.44Å; T116-L121 HydrophobicContact CG2-CD1 4.1Å; T116-M144 WeakPolarHBondContact O-CA 3.06Å; T116-L145 HydrophobicContact CG2-CB 4.03Å; T116-L145 PolarHBondContact N-O 2.04Å; T116-L145 PolarHBondContact O-N 2.73Å; T116-I147 HydrophobicContact CG2-CD1 3.89Å |
| 117 | D | 92.3 | Very high | 88.7 | Confident | 131 Ų | 131 | 55.6 Ų | 55.6 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | trans | -107.7 | 15 | 173 | 62.8 | -20 | 0 | 0 | 0 | 111.9 | R119 L122 | D117-R119 PolarHBondContact O-N 3.13Å; D117-R119 VanDerWaalsContact O-N 3.07Å; D117-L122 WeakPolarHBondContact O-CD1 3.09Å | ||
| 118 | S | 92.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | trans | -60.4 | 111.4 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | T116 D120 L121 L122 | T116-S118 WeakPolarHBondContact OG1-CB 3.14Å; T116-S118 PolarHBondContact OG1-N 3.44Å; S118-D120 VanDerWaalsContact C-N 3.26Å; S118-D120 PolarHBondContact O-N 3.06Å; S118-L121 PolarHBondContact O-N 3.27Å; S118-L122 PolarHBondContact O-N 2.94Å | ||
| 119 | R | 90.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 46.2 Ų | 46.2 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.5 | -38.5 | -172.8 | -172.9 | 64.4 | -163.8 | -162.5 | 7.2 | 113 | D117 L121 L122 D123 E141 | D117-R119 PolarHBondContact O-N 3.13Å; D117-R119 VanDerWaalsContact O-N 3.07Å; R119-L121 PolarHBondContact O-N 2.81Å; R119-L122 PolarHBondContact O-N 3.15Å; R119-D123 WeakPolarHBondContact CG-OD2 3.31Å; R119-D123 IonicContact CZ-OD1 3.17Å; R119-D123 IonicContact CZ-OD2 3.66Å; R119-D123 IonicContact NE-OD1 2.99Å; R119-D123 PolarHBondContact NE-OD1 3.45Å; R119-D123 IonicContact NE-OD2 3.49Å; R119-D123 PolarHBondContact NE-OD2 2.94Å; R119-D123 IonicContact NH2-OD1 2.73Å; R119-D123 PolarHBondContact NH2-OD1 2.82Å; R119-D123 IonicContact NH2-OD2 3.47Å; R119-D123 WeakPolarHBondContact O-CB 3.48Å; R119-D123 PolarHBondContact O-N 3.24Å; R119-E141 IonicContact CZ-OE2 3.06Å; R119-E141 VanDerWaalsContact CZ-OE2 3.31Å; R119-E141 IonicContact NH1-OE2 3.7Å; R119-E141 PolarHBondContact NH1-OE2 2.86Å; R119-E141 IonicContact NH2-OE1 3.37Å; R119-E141 IonicContact NH2-OE2 2.6Å; R119-E141 PolarHBondContact NH2-OE2 2.96Å |
| 120 | D | 88.8 | Confident | 92.1 | Very high | 133 Ų | 133 | 49.3 Ų | 49.3 | 71% | 0.711 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.8 | -32.9 | 176.6 | -50.5 | -40.8 | 0 | 0 | 0 | 112.9 | S118 K124 | S118-D120 VanDerWaalsContact C-N 3.26Å; S118-D120 PolarHBondContact O-N 3.06Å; D120-K124 PolarHBondContact O-N 2.04Å |
| 121 | L | 92.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -85.4 | -37.6 | 177.6 | -57.1 | -178.6 | 0 | 0 | 0 | 111.8 | Y25 P26 T116 S118 R119 K124 S125 L145 I147 | Y25-L121 HydrophobicContact CD1-CB 4.49Å; Y25-L121 HydrophobicContact CD1-CD2 4.2Å; P26-L121 HydrophobicContact CG-CD2 4.33Å; T116-L121 HydrophobicContact CG2-CD1 4.1Å; S118-L121 PolarHBondContact O-N 3.27Å; R119-L121 PolarHBondContact O-N 2.81Å; L121-K124 WeakPolarHBondContact O-CB 3.01Å; L121-K124 PolarHBondContact O-N 2.04Å; L121-S125 PolarHBondContact O-N 3.19Å; L121-L145 HydrophobicContact CB-CD1 3.82Å; L121-I147 HydrophobicContact CD1-CD1 4.44Å |
| 122 | L | 94.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 172.6 | -64.8 | 174.9 | 0 | 0 | 0 | 111.2 | D117 S118 R119 S125 S126 A142 L145 | D117-L122 WeakPolarHBondContact O-CD1 3.09Å; S118-L122 PolarHBondContact O-N 2.94Å; R119-L122 PolarHBondContact O-N 3.15Å; L122-S125 PolarHBondContact O-N 3.32Å; L122-S126 VanDerWaalsContact O-CB 3.26Å; L122-S126 WeakPolarHBondContact O-CB 3.45Å; L122-S126 PolarHBondContact O-N 3.42Å; L122-S126 PolarHBondContact O-OG 2.84Å; L122-A142 HydrophobicContact CD2-CB 3.97Å; L122-L145 HydrophobicContact CD2-CD2 4.04Å; L122-L145 HydrophobicContact CD2-CG 3.93Å |
| 123 | D | 90.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.8 | -76.5 | -35.2 | 0 | 0 | 0 | 111.5 | R119 H127 | R119-D123 WeakPolarHBondContact CG-OD2 3.31Å; R119-D123 IonicContact CZ-OD1 3.17Å; R119-D123 IonicContact CZ-OD2 3.66Å; R119-D123 IonicContact NE-OD1 2.99Å; R119-D123 PolarHBondContact NE-OD1 3.45Å; R119-D123 IonicContact NE-OD2 3.49Å; R119-D123 PolarHBondContact NE-OD2 2.94Å; R119-D123 IonicContact NH2-OD1 2.73Å; R119-D123 PolarHBondContact NH2-OD1 2.82Å; R119-D123 IonicContact NH2-OD2 3.47Å; R119-D123 WeakPolarHBondContact O-CB 3.48Å; R119-D123 PolarHBondContact O-N 3.24Å; D123-H127 WeakPolarHBondContact O-CB 3.17Å; D123-H127 PolarHBondContact O-N 3.21Å |
| 124 | K | 92.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 52.1 Ų | 52.1 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.1 | -54.6 | 172.9 | 178.1 | -170 | 164.3 | -163.9 | 0 | 111.3 | Y25 D120 L121 H127 I128 | Y25-K124 HydrophobicContact CD1-CD 4.25Å; Y25-K124 HydrophobicContact CE1-CD 3.6Å; Y25-K124 HydrophobicContact CE1-CG 4.28Å; Y25-K124 HydrophobicContact CE2-CD 4.43Å; Y25-K124 VanDerWaalsContact CZ-CE 3.49Å; Y25-K124 VanDerWaalsContact CZ-NZ 3.34Å; D120-K124 PolarHBondContact O-N 2.04Å; L121-K124 WeakPolarHBondContact O-CB 3.01Å; L121-K124 PolarHBondContact O-N 2.04Å; K124-H127 PolarHBondContact O-N 3.07Å; K124-I128 HydrophobicContact CG-CD1 3.92Å; K124-I128 WeakPolarHBondContact O-CG1 3.11Å; K124-I128 PolarHBondContact O-N 2.69Å |
| 125 | S | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | -175.5 | -176.3 | 0 | 0 | 0 | 0 | 112 | Y25 L121 L122 H127 I128 V129 S171 E180 | Y25-S125 WeakPolarHBondContact OH-CB 3.1Å; L121-S125 PolarHBondContact O-N 3.19Å; L122-S125 PolarHBondContact O-N 3.32Å; S125-H127 PolarHBondContact O-N 3.48Å; S125-I128 WeakPolarHBondContact O-CB 3.23Å; S125-I128 PolarHBondContact O-N 3.37Å; S125-I128 VanDerWaalsContact O-N 3.13Å; S125-V129 PolarHBondContact O-N 2.69Å; S125-S171 VanDerWaalsContact OG-CB 3.25Å; S125-S171 WeakPolarHBondContact OG-CB 3.45Å; S125-E180 WeakPolarHBondContact CB-OE1 3.48Å; S125-E180 PolarHBondContact OG-OE1 3.17Å |
| 126 | S | 93.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | L122 I128 V129 Q130 A142 | L122-S126 VanDerWaalsContact O-CB 3.26Å; L122-S126 WeakPolarHBondContact O-CB 3.45Å; L122-S126 PolarHBondContact O-N 3.42Å; L122-S126 PolarHBondContact O-OG 2.84Å; S126-I128 VanDerWaalsContact C-N 3.33Å; S126-I128 PolarHBondContact O-N 3.1Å; S126-V129 PolarHBondContact O-N 3.06Å; S126-Q130 WeakPolarHBondContact O-CB 3.21Å; S126-Q130 WeakPolarHBondContact O-CG 3.48Å; S126-Q130 PolarHBondContact O-N 3.08Å; S126-A142 WeakPolarHBondContact OG-CB 3.3Å; S126-A142 PolarHBondContact OG-N 3.16Å |
| 127 | H | 89.4 | Confident | 85.2 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 175.7 | -175.4 | -51.5 | 0 | 0 | 0 | 111.8 | D123 K124 S125 S131 | D123-H127 WeakPolarHBondContact O-CB 3.17Å; D123-H127 PolarHBondContact O-N 3.21Å; K124-H127 PolarHBondContact O-N 3.07Å; S125-H127 PolarHBondContact O-N 3.48Å; H127-S131 WeakPolarHBondContact O-CB 3.15Å; H127-S131 PolarHBondContact O-N 2.9Å; H127-S131 PolarHBondContact O-OG 2.97Å |
| 128 | I | 89.6 | Confident | 84.1 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 175.4 | -77.4 | 162.8 | 0 | 0 | 0 | 110.1 | K124 S125 S126 S131 K132 M242 L244 | K124-I128 HydrophobicContact CG-CD1 3.92Å; K124-I128 WeakPolarHBondContact O-CG1 3.11Å; K124-I128 PolarHBondContact O-N 2.69Å; S125-I128 WeakPolarHBondContact O-CB 3.23Å; S125-I128 PolarHBondContact O-N 3.37Å; S125-I128 VanDerWaalsContact O-N 3.13Å; S126-I128 VanDerWaalsContact C-N 3.33Å; S126-I128 PolarHBondContact O-N 3.1Å; I128-S131 PolarHBondContact O-N 2.71Å; I128-S131 PolarHBondContact O-OG 2.89Å; I128-K132 PolarHBondContact O-N 3.02Å; I128-M242 HydrophobicContact CD1-CE 4.09Å; I128-M242 HydrophobicContact CG1-CE 4.49Å; I128-M242 HydrophobicContact CG2-CE 3.59Å; I128-L244 HydrophobicContact CG2-CD1 4.31Å; I128-L244 HydrophobicContact CG2-CD2 4.06Å |
| 129 | V | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -55.1 | 177.8 | 174 | 0 | 0 | 0 | 0 | 111.4 | S125 S126 S131 K132 F133 Y140 Y178 L244 | S125-V129 PolarHBondContact O-N 2.69Å; S126-V129 PolarHBondContact O-N 3.06Å; V129-S131 PolarHBondContact O-N 2.74Å; V129-S131 VanDerWaalsContact O-N 3.15Å; V129-K132 PolarHBondContact O-N 2.84Å; V129-F133 HydrophobicContact CG1-CD2 4.11Å; V129-F133 PolarHBondContact O-N 2.03Å; V129-Y140 HydrophobicContact CB-CD1 3.85Å; V129-Y140 HydrophobicContact CB-CE1 4.27Å; V129-Y140 HydrophobicContact CG1-CD1 3.69Å; V129-Y140 HydrophobicContact CG1-CE1 4.31Å; V129-Y140 HydrophobicContact CG1-CG 4.06Å; V129-Y140 HydrophobicContact CG2-CD1 4.15Å; V129-Y140 HydrophobicContact CG2-CE1 4.04Å; V129-Y178 HydrophobicContact CG1-CD1 4.05Å; V129-Y178 HydrophobicContact CG1-CD2 4.11Å; V129-Y178 HydrophobicContact CG1-CE1 3.86Å; V129-Y178 HydrophobicContact CG1-CE2 3.94Å; V129-Y178 HydrophobicContact CG1-CG 4.21Å; V129-Y178 HydrophobicContact CG2-CD1 4.13Å; V129-Y178 HydrophobicContact CG2-CD2 4.05Å; V129-Y178 HydrophobicContact CG2-CG 3.78Å; V129-L244 HydrophobicContact CG2-CD1 4.26Å |
| 130 | Q | 88.6 | Confident | 83.6 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -27.4 | 178.9 | -69.3 | 167.7 | 8.8 | 0 | 0 | 113.5 | S126 Y140 | S126-Q130 WeakPolarHBondContact O-CB 3.21Å; S126-Q130 WeakPolarHBondContact O-CG 3.48Å; S126-Q130 PolarHBondContact O-N 3.08Å; Q130-Y140 PolarHBondContact NE2-O 2.9Å |
| 131 | S | 83.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.1 | -179.8 | 72 | 0 | 0 | 0 | 0 | 114.6 | H127 I128 V129 H134 | H127-S131 WeakPolarHBondContact O-CB 3.15Å; H127-S131 PolarHBondContact O-N 2.9Å; H127-S131 PolarHBondContact O-OG 2.97Å; I128-S131 PolarHBondContact O-N 2.71Å; I128-S131 PolarHBondContact O-OG 2.89Å; V129-S131 PolarHBondContact O-N 2.74Å; V129-S131 VanDerWaalsContact O-N 3.15Å; S131-H134 PolarHBondContact O-CE1 3.15Å; S131-H134 VanDerWaalsContact O-CE1 3.28Å |
| 132 | K | 85.5 | Confident | 83.9 | Confident | 53 Ų | 53 | 50 Ų | 50 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | -39 | -175.1 | -67.9 | -67.6 | 170.4 | 176.1 | 0 | 113.5 | I128 V129 H134 V237 L244 P254 | I128-K132 PolarHBondContact O-N 3.02Å; V129-K132 PolarHBondContact O-N 2.84Å; K132-H134 PolarHBondContact O-N 2.87Å; K132-V237 HydrophobicContact CB-CG1 4.24Å; K132-V237 HydrophobicContact CD-CB 4.01Å; K132-V237 HydrophobicContact CD-CG1 3.92Å; K132-V237 WeakPolarHBondContact CE-O 3.27Å; K132-V237 HydrophobicContact CG-CB 4.33Å; K132-V237 HydrophobicContact CG-CG1 3.85Å; K132-V237 PolarHBondContact NZ-O 2.97Å; K132-L244 HydrophobicContact CB-CD2 3.96Å; K132-L244 HydrophobicContact CG-CD2 4.38Å; K132-P254 HydrophobicContact CB-CB 4.06Å; K132-P254 HydrophobicContact CB-CG 4.12Å; K132-P254 WeakPolarHBondContact O-CB 3.28Å |
| 133 | F | 82.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -91.5 | 90.8 | 167.9 | -70 | -85 | 0 | 0 | 0 | 107.7 | V129 S137 Y178 L244 R246 V252 P254 A257 | V129-F133 HydrophobicContact CG1-CD2 4.11Å; V129-F133 PolarHBondContact O-N 2.03Å; F133-S137 WeakPolarHBondContact CB-OG 3.31Å; F133-Y178 HydrophobicContact CD2-CD1 4.17Å; F133-Y178 AromaticContact CD2-CE1 3.84Å; F133-Y178 HydrophobicContact CD2-CE1 3.84Å; F133-Y178 AromaticContact CE2-CD1 3.65Å; F133-Y178 HydrophobicContact CE2-CD1 3.65Å; F133-Y178 AromaticContact CE2-CE1 3.65Å; F133-Y178 HydrophobicContact CE2-CE1 3.65Å; F133-Y178 HydrophobicContact CG-CE1 4.4Å; F133-Y178 HydrophobicContact CZ-CD1 4.22Å; F133-Y178 HydrophobicContact CZ-CE1 4.08Å; F133-L244 HydrophobicContact CD2-CD2 4.11Å; F133-L244 HydrophobicContact CE2-CD2 3.74Å; F133-L244 HydrophobicContact CE2-CG 3.95Å; F133-R246 HydrophobicContact CE1-CB 4.29Å; F133-R246 HydrophobicContact CZ-CB 4.09Å; F133-V252 HydrophobicContact CE1-CG1 4.38Å; F133-P254 HydrophobicContact CD2-CG 4.28Å; F133-P254 HydrophobicContact CE1-CB 4.45Å; F133-P254 HydrophobicContact CE1-CG 4.24Å; F133-P254 HydrophobicContact CE2-CG 3.78Å; F133-P254 HydrophobicContact CZ-CB 4.42Å; F133-P254 HydrophobicContact CZ-CG 3.74Å; F133-A257 HydrophobicContact CD1-CB 3.5Å; F133-A257 HydrophobicContact CE1-CB 3.86Å |
| 134 | H | 64.9 | Low | 84.2 | Confident | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | trans | -72.3 | -37 | -162.2 | -78.1 | -54.2 | 0 | 0 | 0 | 114.4 | S131 K132 D258 | S131-H134 PolarHBondContact O-CE1 3.15Å; S131-H134 VanDerWaalsContact O-CE1 3.28Å; K132-H134 PolarHBondContact O-N 2.87Å; H134-D258 IonicContact CD2-OD2 2.85Å; H134-D258 PolarHBondContact CD2-OD2 3.01Å | ||
| 135 | V | 60.6 | Low | 84.4 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -98.6 | -63.5 | 179.2 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | S137 S138 D261 | V135-S137 PolarHBondContact O-N 3.28Å; V135-S138 PolarHBondContact O-N 2.81Å; V135-S138 PolarHBondContact O-OG 3.12Å; V135-D261 WeakPolarHBondContact CB-OD2 3.45Å; V135-D261 WeakPolarHBondContact CG1-OD2 3.08Å; V135-D261 VanDerWaalsContact CG2-OD2 3.26Å; V135-D261 WeakPolarHBondContact CG2-OD2 3.29Å |
| 136 | D | 63.4 | Low | 84.6 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 10 | -165.4 | -163.2 | 22.7 | 0 | 0 | 0 | 115.8 | R246 | D136-R246 IonicContact OD1-NH1 2.69Å; D136-R246 IonicContact OD2-CZ 3.86Å; D136-R246 IonicContact OD2-NH1 3.46Å; D136-R246 PolarHBondContact OD2-NH1 3.24Å; D136-R246 IonicContact OD2-NH2 2.96Å; D136-R246 PolarHBondContact OD2-NH2 2.75Å |
| 137 | S | 71.2 | Confident | 84.8 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -153.4 | 18.7 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 114.7 | F133 V135 D139 Y140 Y178 | F133-S137 WeakPolarHBondContact CB-OG 3.31Å; V135-S137 PolarHBondContact O-N 3.28Å; S137-D139 PolarHBondContact O-N 2.03Å; S137-D139 VanDerWaalsContact O-N 3.09Å; S137-Y140 WeakPolarHBondContact O-CB 3.38Å; S137-Y140 PolarHBondContact O-N 3.28Å; S137-Y140 VanDerWaalsContact O-N 3.1Å; S137-Y178 PolarHBondContact OG-OH 2.88Å |
| 138 | S | 70.3 | Confident | 85.2 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 59% | 0.587 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.2 | -173.8 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | V135 | V135-S138 PolarHBondContact O-N 2.81Å; V135-S138 PolarHBondContact O-OG 3.12Å |
| 139 | D | 82.1 | Confident | 85.4 | Confident | 141 Ų | 141 | 43.4 Ų | 43.4 | 75% | 0.754 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 1.3 | 176.9 | 81.5 | -31.9 | 0 | 0 | 0 | 114.7 | S137 E141 | S137-D139 PolarHBondContact O-N 2.03Å; S137-D139 VanDerWaalsContact O-N 3.09Å; D139-E141 PolarHBondContact O-N 2.91Å; D139-E141 VanDerWaalsContact O-N 3.16Å |
| 140 | Y | 90.2 | Very high | 85.6 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -65.8 | 112.7 | -171.3 | 177.2 | -98.3 | 0 | 0 | 0 | 113.1 | V129 Q130 S137 A142 S171 T172 N173 Y178 | V129-Y140 HydrophobicContact CB-CD1 3.85Å; V129-Y140 HydrophobicContact CB-CE1 4.27Å; V129-Y140 HydrophobicContact CG1-CD1 3.69Å; V129-Y140 HydrophobicContact CG1-CE1 4.31Å; V129-Y140 HydrophobicContact CG1-CG 4.06Å; V129-Y140 HydrophobicContact CG2-CD1 4.15Å; V129-Y140 HydrophobicContact CG2-CE1 4.04Å; Q130-Y140 PolarHBondContact NE2-O 2.9Å; S137-Y140 WeakPolarHBondContact O-CB 3.38Å; S137-Y140 PolarHBondContact O-N 3.28Å; S137-Y140 VanDerWaalsContact O-N 3.1Å; Y140-A142 HydrophobicContact CE1-CB 4.02Å; Y140-S171 WeakPolarHBondContact OH-CB 3.26Å; Y140-S171 PolarHBondContact OH-O 2.87Å; Y140-S171 PolarHBondContact OH-OG 2.69Å; Y140-T172 WeakPolarHBondContact OH-CA 3.04Å; Y140-T172 PolarHBondContact OH-N 3.09Å; Y140-N173 HydrophobicContact CD2-CB 4.46Å; Y140-N173 HydrophobicContact CE2-CB 3.94Å; Y140-Y178 HydrophobicContact CD1-CD2 4.42Å; Y140-Y178 HydrophobicContact CD1-CE2 4.3Å; Y140-Y178 HydrophobicContact CD2-CD2 4.26Å; Y140-Y178 AromaticContact CD2-CE2 3.63Å; Y140-Y178 HydrophobicContact CD2-CE2 3.63Å; Y140-Y178 AromaticContact CE1-CD2 3.91Å; Y140-Y178 HydrophobicContact CE1-CD2 3.91Å; Y140-Y178 HydrophobicContact CE1-CE2 4.19Å; Y140-Y178 AromaticContact CE2-CD2 3.74Å; Y140-Y178 HydrophobicContact CE2-CD2 3.74Å; Y140-Y178 AromaticContact CE2-CE2 3.5Å; Y140-Y178 HydrophobicContact CE2-CE2 3.5Å; Y140-Y178 HydrophobicContact CG-CE2 4.04Å; Y140-Y178 AromaticContact CZ-CD2 3.53Å; Y140-Y178 AromaticContact CZ-CE2 3.79Å | ||
| 141 | E | 92.3 | Very high | 85.7 | Confident | 99 Ų | 99 | 41.6 Ų | 41.6 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | trans | -108.1 | 115.8 | 165.9 | -79 | -159.7 | -142.5 | 0 | 0 | 111.6 | R119 D139 N173 | R119-E141 IonicContact CZ-OE2 3.06Å; R119-E141 VanDerWaalsContact CZ-OE2 3.31Å; R119-E141 IonicContact NH1-OE2 3.7Å; R119-E141 PolarHBondContact NH1-OE2 2.86Å; R119-E141 IonicContact NH2-OE1 3.37Å; R119-E141 IonicContact NH2-OE2 2.6Å; R119-E141 PolarHBondContact NH2-OE2 2.96Å; D139-E141 PolarHBondContact O-N 2.91Å; D139-E141 VanDerWaalsContact O-N 3.16Å; E141-N173 WeakPolarHBondContact O-CB 3.42Å | ||
| 142 | A | 93.6 | Very high | 86 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | trans | -63.4 | 139.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L122 S126 Y140 L145 | L122-A142 HydrophobicContact CD2-CB 3.97Å; S126-A142 WeakPolarHBondContact OG-CB 3.3Å; S126-A142 PolarHBondContact OG-N 3.16Å; Y140-A142 HydrophobicContact CE1-CB 4.02Å; A142-L145 HydrophobicContact CB-CD2 4.24Å | ||
| 143 | R | 94.8 | Very high | 86.2 | Confident | 138 Ų | 138 | 38.9 Ų | 38.9 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -109.9 | -21.9 | 176.3 | -64.1 | -170.6 | -176.1 | 142.2 | -5.3 | 113.8 | F51 T172 N173 | F51-R143 HydrophobicContact CD1-CB 4.3Å; F51-R143 HydrophobicContact CD2-CB 3.88Å; F51-R143 HydrophobicContact CE1-CB 4.23Å; F51-R143 HydrophobicContact CE2-CB 3.79Å; F51-R143 HydrophobicContact CG-CB 4.13Å; F51-R143 HydrophobicContact CZ-CB 3.97Å; F51-R143 HydrophobicContact CZ-CG 4.49Å; R143-T172 PolarHBondContact N-O 3.37Å; R143-N173 VanDerWaalsContact CD-O 3.31Å; R143-N173 WeakPolarHBondContact CD-O 3.48Å; R143-N173 PolarHBondContact NH1-O 3.41Å |
| 144 | M | 96.3 | Very high | 86.4 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.6 | 174.4 | -176.2 | -89 | -69 | 0 | 0 | 109.4 | F49 F51 I53 T115 T116 F146 T172 | F49-M144 HydrophobicContact CB-CE 3.86Å; F49-M144 HydrophobicContact CD1-CE 4.04Å; F49-M144 HydrophobicContact CG-CE 4.05Å; F51-M144 HydrophobicContact CB-CB 4.44Å; F51-M144 HydrophobicContact CD2-CB 4.01Å; F51-M144 WeakPolarHBondContact O-CE 3.11Å; I53-M144 HydrophobicContact CG1-CE 4.43Å; T115-M144 HydrophobicContact CG2-CE 4.47Å; T115-M144 HydrophobicContact CG2-SD 3.84Å; T116-M144 WeakPolarHBondContact O-CA 3.06Å; M144-F146 HydrophobicContact SD-CB 4.02Å; M144-T172 HydrophobicContact CB-CG2 4.25Å; M144-T172 HydrophobicContact CE-CG2 3.64Å; M144-T172 PolarHBondContact N-O 2.94Å; M144-T172 VanDerWaalsContact N-O 3.13Å; M144-T172 PolarHBondContact O-N 2.9Å |
| 145 | L | 97 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.4 | 163.2 | -52.2 | -171.5 | 0 | 0 | 0 | 109.8 | Y25 T115 T116 L121 L122 A142 I147 V169 I170 S171 | Y25-L145 HydrophobicContact CD1-CD1 3.94Å; Y25-L145 HydrophobicContact CE1-CD1 3.65Å; T115-L145 CarbonylContact C-O 3.56Å; T115-L145 WeakPolarHBondContact CA-O 3.46Å; T116-L145 HydrophobicContact CG2-CB 4.03Å; T116-L145 PolarHBondContact N-O 2.04Å; T116-L145 PolarHBondContact O-N 2.73Å; L121-L145 HydrophobicContact CB-CD1 3.82Å; L122-L145 HydrophobicContact CD2-CD2 4.04Å; L122-L145 HydrophobicContact CD2-CG 3.93Å; A142-L145 HydrophobicContact CB-CD2 4.24Å; L145-I147 HydrophobicContact CB-CG1 4.3Å; L145-V169 HydrophobicContact CB-CG1 4.26Å; L145-V169 HydrophobicContact CD1-CG1 4.15Å; L145-I170 CarbonylContact C-O 3.45Å; L145-I170 WeakPolarHBondContact CA-O 3.2Å; L145-S171 VanDerWaalsContact CD2-CB 3.49Å |
| 146 | F | 97.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.8 | 164.8 | 179.4 | -123.4 | 0 | 0 | 0 | 108.9 | V47 F49 I53 V65 L71 R114 T115 M144 V148 V169 I170 | V47-F146 HydrophobicContact CG1-CE2 3.82Å; V47-F146 HydrophobicContact CG1-CZ 4.33Å; F49-F146 HydrophobicContact CE1-CB 4.29Å; F49-F146 AromaticContact CE1-CD1 3.97Å; F49-F146 HydrophobicContact CE1-CD1 3.97Å; F49-F146 AromaticContact CE1-CD2 3.8Å; F49-F146 HydrophobicContact CE1-CD2 3.8Å; F49-F146 HydrophobicContact CE1-CE1 4.24Å; F49-F146 HydrophobicContact CE1-CE2 4.1Å; F49-F146 AromaticContact CE1-CG 3.74Å; F49-F146 HydrophobicContact CE1-CG 3.74Å; F49-F146 HydrophobicContact CE1-CZ 4.29Å; F49-F146 HydrophobicContact CZ-CD1 4.06Å; F49-F146 HydrophobicContact CZ-CE1 4.21Å; F49-F146 HydrophobicContact CZ-CG 4.28Å; I53-F146 HydrophobicContact CD1-CB 4.13Å; I53-F146 HydrophobicContact CD1-CD1 4.19Å; I53-F146 HydrophobicContact CD1-CG 4.49Å; V65-F146 HydrophobicContact CG2-CE1 4.46Å; V65-F146 HydrophobicContact CG2-CZ 3.8Å; L71-F146 HydrophobicContact CD1-CE1 3.61Å; L71-F146 HydrophobicContact CD1-CZ 4.21Å; L71-F146 HydrophobicContact CD2-CD1 4.19Å; L71-F146 HydrophobicContact CD2-CE1 3.85Å; L71-F146 HydrophobicContact CG-CE1 4.4Å; R114-F146 WeakPolarHBondContact O-CD2 3.03Å; T115-F146 HydrophobicContact CG2-CD2 3.83Å; M144-F146 HydrophobicContact SD-CB 4.02Å; F146-V148 HydrophobicContact CD1-CG2 3.99Å; F146-V148 HydrophobicContact CE1-CG2 3.31Å; F146-V148 HydrophobicContact CE2-CG2 4.04Å; F146-V148 HydrophobicContact CZ-CG2 3.35Å; F146-V169 CarbonylContact O-C 3.57Å; F146-V169 WeakPolarHBondContact O-CA 3.3Å; F146-I170 PolarHBondContact N-O 2.95Å; F146-I170 PolarHBondContact O-N 2.92Å |
| 147 | I | 96.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.8 | -173.7 | -61.3 | 163.6 | 0 | 0 | 0 | 108.1 | Y25 Y113 R114 T116 L121 L145 Q167 V169 | Y25-I147 HydrophobicContact CD1-CD1 4.48Å; Y113-I147 CarbonylContact C-O 3.25Å; Y113-I147 VanDerWaalsContact CA-O 3.24Å; Y113-I147 WeakPolarHBondContact CA-O 3.44Å; R114-I147 PolarHBondContact N-O 3.42Å; R114-I147 PolarHBondContact O-N 3.1Å; T116-I147 HydrophobicContact CG2-CD1 3.89Å; L121-I147 HydrophobicContact CD1-CD1 4.44Å; L145-I147 HydrophobicContact CB-CG1 4.3Å; I147-Q167 HydrophobicContact CG2-CG 4.22Å; I147-V169 HydrophobicContact CB-CG2 4.35Å; I147-V169 HydrophobicContact CG1-CG1 3.94Å; I147-V169 HydrophobicContact CG1-CG2 3.96Å; I147-V169 HydrophobicContact CG2-CG2 4.13Å |
| 148 | V | 96.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.7 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 109.3 | V65 L112 F146 W150 Q167 L168 | V65-V148 HydrophobicContact CB-CG1 4.41Å; V65-V148 HydrophobicContact CG1-CG1 3.54Å; V65-V148 HydrophobicContact CG2-CG1 3.92Å; V65-V148 HydrophobicContact CG2-CG2 3.91Å; L112-V148 CarbonylContact O-C 3.51Å; L112-V148 WeakPolarHBondContact O-CA 3.03Å; F146-V148 HydrophobicContact CD1-CG2 3.99Å; F146-V148 HydrophobicContact CE1-CG2 3.31Å; F146-V148 HydrophobicContact CE2-CG2 4.04Å; F146-V148 HydrophobicContact CZ-CG2 3.35Å; V148-W150 HydrophobicContact CB-CH2 4.04Å; V148-W150 HydrophobicContact CB-CZ3 3.82Å; V148-W150 HydrophobicContact CG1-CE3 4.05Å; V148-W150 HydrophobicContact CG1-CH2 3.35Å; V148-W150 HydrophobicContact CG1-CZ2 3.92Å; V148-W150 HydrophobicContact CG1-CZ3 3.41Å; V148-W150 VanDerWaalsContact CG1-CZ3 3.41Å; V148-Q167 CarbonylContact O-C 3.49Å; V148-Q167 VanDerWaalsContact O-CA 3.28Å; V148-Q167 WeakPolarHBondContact O-CA 3.26Å; V148-Q167 WeakPolarHBondContact O-CG 3.42Å; V148-L168 PolarHBondContact N-O 3.46Å; V148-L168 PolarHBondContact O-N 3.37Å |
| 149 | T | 95.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.8 | -173.7 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | F24 Y27 I111 L112 Q167 | F24-T149 HydrophobicContact CD2-CG2 4.34Å; Y27-T149 HydrophobicContact CD1-CG2 4.02Å; Y27-T149 HydrophobicContact CD2-CG2 3.76Å; Y27-T149 HydrophobicContact CE1-CG2 4.07Å; Y27-T149 HydrophobicContact CE2-CG2 3.83Å; Y27-T149 HydrophobicContact CG-CG2 3.88Å; I111-T149 WeakPolarHBondContact CA-O 3.43Å; L112-T149 PolarHBondContact N-O 3.06Å; L112-T149 PolarHBondContact O-N 2.86Å; T149-Q167 HydrophobicContact CG2-CB 4.2Å; T149-Q167 HydrophobicContact CG2-CG 4.44Å; T149-Q167 PolarHBondContact OG1-NE2 2.68Å |
| 150 | W | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.7 | 167.6 | -67.7 | -106.7 | 0 | 0 | 0 | 107.6 | V65 N66 S67 I95 I111 V148 V153 S165 F166 L168 | V65-W150 HydrophobicContact CG1-CZ2 4.17Å; N66-W150 WeakPolarHBondContact O-CZ2 3.05Å; N66-W150 PolarHBondContact O-NE1 2.82Å; S67-W150 PolarHBondContact O-NE1 2.85Å; S67-W150 VanDerWaalsContact O-NE1 3.07Å; I95-W150 HydrophobicContact CG2-CE3 4.04Å; I95-W150 HydrophobicContact CG2-CH2 3.88Å; I95-W150 HydrophobicContact CG2-CZ3 3.56Å; I111-W150 HydrophobicContact CD1-CG 4.45Å; I111-W150 HydrophobicContact CG1-CG 4.17Å; I111-W150 HydrophobicContact CG2-CD2 4.38Å; I111-W150 HydrophobicContact CG2-CG 4.36Å; V148-W150 HydrophobicContact CB-CH2 4.04Å; V148-W150 HydrophobicContact CB-CZ3 3.82Å; V148-W150 HydrophobicContact CG1-CE3 4.05Å; V148-W150 HydrophobicContact CG1-CH2 3.35Å; V148-W150 HydrophobicContact CG1-CZ2 3.92Å; V148-W150 HydrophobicContact CG1-CZ3 3.41Å; V148-W150 VanDerWaalsContact CG1-CZ3 3.41Å; W150-V153 HydrophobicContact CB-CG1 4Å; W150-V153 HydrophobicContact CB-CG2 4.16Å; W150-S165 VanDerWaalsContact O-CA 3.31Å; W150-S165 WeakPolarHBondContact O-CA 3.18Å; W150-F166 HydrophobicContact CB-CD1 4.33Å; W150-F166 HydrophobicContact CB-CD2 3.88Å; W150-F166 HydrophobicContact CB-CE1 3.95Å; W150-F166 HydrophobicContact CB-CE2 3.46Å; W150-F166 VanDerWaalsContact CB-CE2 3.46Å; W150-F166 HydrophobicContact CB-CG 4.3Å; W150-F166 HydrophobicContact CB-CZ 3.48Å; W150-F166 VanDerWaalsContact CB-CZ 3.48Å; W150-F166 AromaticContact CD1-CE2 3.96Å; W150-F166 AromaticContact CD1-CZ 3.94Å; W150-F166 AromaticContact CD2-CD2 3.94Å; W150-F166 HydrophobicContact CD2-CD2 3.94Å; W150-F166 AromaticContact CD2-CE2 3.34Å; W150-F166 HydrophobicContact CD2-CE2 3.34Å; W150-F166 HydrophobicContact CD2-CZ 4.09Å; W150-F166 AromaticContact CE3-CD2 3.63Å; W150-F166 HydrophobicContact CE3-CD2 3.63Å; W150-F166 AromaticContact CE3-CE2 3.5Å; W150-F166 HydrophobicContact CE3-CE2 3.5Å; W150-F166 HydrophobicContact CG-CD2 4.06Å; W150-F166 HydrophobicContact CG-CE1 4.5Å; W150-F166 AromaticContact CG-CE2 3.31Å; W150-F166 HydrophobicContact CG-CE2 3.31Å; W150-F166 AromaticContact CG-CZ 3.57Å; W150-F166 HydrophobicContact CG-CZ 3.57Å; W150-F166 HydrophobicContact CZ3-CD2 4.42Å; W150-F166 HydrophobicContact CZ3-CE2 4.34Å; W150-F166 PolarHBondContact N-O 2.89Å; W150-F166 PolarHBondContact O-N 3.12Å; W150-F166 VanDerWaalsContact O-N 3.15Å; W150-L168 HydrophobicContact CZ3-CB 4.25Å |
| 151 | D | 91.5 | Very high | 87 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.5 | -176.8 | -173.9 | -24.6 | 0 | 0 | 0 | 110.3 | K21 Y27 G109 R110 V153 | K21-D151 IonicContact NZ-OD1 3.57Å; K21-D151 PolarHBondContact NZ-OD1 2.85Å; K21-D151 IonicContact NZ-OD2 3.31Å; Y27-D151 HydrophobicContact CE2-CB 4.03Å; Y27-D151 WeakPolarHBondContact CE2-OD2 3.08Å; Y27-D151 PolarHBondContact OH-OD2 3.06Å; G109-D151 CarbonylContact C-O 3.56Å; G109-D151 VanDerWaalsContact CA-O 3.24Å; G109-D151 WeakPolarHBondContact CA-O 3.33Å; R110-D151 PolarHBondContact N-O 2.73Å; R110-D151 PolarHBondContact O-N 2.73Å; D151-V153 VanDerWaalsContact C-N 3.29Å; D151-V153 PolarHBondContact O-N 3.18Å |
| 152 | S | 88.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 39.8 | 170.7 | -48.4 | 0 | 0 | 0 | 0 | 113.6 | K21 G109 R163 N164 S165 | K21-S152 PolarHBondContact NZ-OG 3.08Å; G109-S152 WeakPolarHBondContact CA-O 3.38Å; S152-R163 WeakPolarHBondContact O-CD 3.08Å; S152-N164 CarbonylContact C-O 3.56Å; S152-N164 WeakPolarHBondContact CA-O 3.36Å; S152-N164 PolarHBondContact N-O 3.29Å; S152-N164 VanDerWaalsContact N-O 3.15Å; S152-S165 PolarHBondContact N-OG 3.18Å |
| 153 | V | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.1 | -176.6 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | I100 I111 W150 D151 R163 N164 F166 W190 | I100-V153 HydrophobicContact CD1-CG2 4.12Å; I100-V153 HydrophobicContact CG2-CB 3.86Å; I100-V153 HydrophobicContact CG2-CG1 4Å; I111-V153 HydrophobicContact CG1-CG1 4.28Å; W150-V153 HydrophobicContact CB-CG1 4Å; W150-V153 HydrophobicContact CB-CG2 4.16Å; D151-V153 VanDerWaalsContact C-N 3.29Å; D151-V153 PolarHBondContact O-N 3.18Å; V153-R163 WeakPolarHBondContact O-CA 3.4Å; V153-N164 HydrophobicContact CG2-CB 4.21Å; V153-N164 PolarHBondContact N-O 2.99Å; V153-N164 PolarHBondContact O-N 2.81Å; V153-F166 HydrophobicContact CG2-CE1 3.75Å; V153-F166 HydrophobicContact CG2-CZ 4.16Å; V153-W190 PolarHBondContact O-NE1 3.35Å; V153-W190 VanDerWaalsContact O-NE1 3.15Å |
| 154 | G | 87 | Confident | 86 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 165.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I100 D101 W190 | I100-G154 WeakPolarHBondContact CA-O 3.37Å; D101-G154 PolarHBondContact N-O 2.04Å; G154-W190 VanDerWaalsContact C-CZ2 3.44Å; G154-W190 VanDerWaalsContact O-CZ2 3.31Å; G154-W190 WeakPolarHBondContact O-CZ2 3.18Å |
| 155 | R | 86.6 | Confident | 85.8 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 15% | 0.151 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 146.3 | 172 | 68.1 | -153.7 | -169.7 | 81.1 | 15.8 | 110.7 | K157 G158 D160 W190 R192 D194 | R155-K157 PolarHBondContact O-N 2.91Å; R155-G158 WeakPolarHBondContact O-CA 3.44Å; R155-G158 PolarHBondContact O-N 2.9Å; R155-D160 IonicContact CZ-OD2 3.71Å; R155-D160 VanDerWaalsContact CZ-OD2 3.31Å; R155-D160 IonicContact NE-OD1 3.9Å; R155-D160 IonicContact NE-OD2 3.13Å; R155-D160 PolarHBondContact NE-OD2 2.85Å; R155-D160 IonicContact NH2-OD2 2.79Å; R155-D160 PolarHBondContact NH2-OD2 2.94Å; R155-W190 HydrophobicContact CB-CD2 3.57Å; R155-W190 HydrophobicContact CB-CE3 3.55Å; R155-W190 HydrophobicContact CB-CG 4.14Å; R155-W190 HydrophobicContact CB-CH2 3.83Å; R155-W190 HydrophobicContact CB-CZ2 3.89Å; R155-W190 HydrophobicContact CB-CZ3 3.66Å; R155-W190 HydrophobicContact CG-CD2 4.41Å; R155-R192 PolarHBondContact NH1-O 2.89Å; R155-D194 IonicContact CZ-OD1 2.78Å; R155-D194 IonicContact CZ-OD2 3.14Å; R155-D194 VanDerWaalsContact NH1-CG 3.3Å; R155-D194 IonicContact NH1-OD1 2.61Å; R155-D194 PolarHBondContact NH1-OD1 3.37Å; R155-D194 IonicContact NH1-OD2 3.95Å; R155-D194 IonicContact NH2-OD1 3.57Å; R155-D194 PolarHBondContact NH2-OD1 2.96Å; R155-D194 IonicContact NH2-OD2 3.03Å; R155-D194 PolarHBondContact NH2-OD2 3.49Å |
| 156 | Y | 82 | Confident | 85.6 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 130.1 | 176.6 | -175.5 | -109.9 | 0 | 0 | 0 | 112.7 | D40 D99 G158 D194 K196 | D40-Y156 VanDerWaalsContact OD2-CE2 3.28Å; D40-Y156 WeakPolarHBondContact OD2-CE2 3.47Å; D99-Y156 PolarHBondContact O-N 3.32Å; D99-Y156 WeakPolarHBondContact OD1-CB 3.31Å; D99-Y156 VanDerWaalsContact OD2-CB 3.22Å; D99-Y156 WeakPolarHBondContact OD2-CB 3.33Å; D99-Y156 VanDerWaalsContact OD2-CD1 3.28Å; D99-Y156 WeakPolarHBondContact OD2-CD1 3.29Å; D99-Y156 VanDerWaalsContact OD2-CG 3.3Å; Y156-G158 PolarHBondContact O-N 2.83Å; Y156-D194 WeakPolarHBondContact CD1-O 3.31Å; Y156-D194 PolarHBondContact O-N 3.04Å; Y156-K196 HydrophobicContact CD1-CB 3.94Å; Y156-K196 HydrophobicContact CD1-CG 4.29Å; Y156-K196 HydrophobicContact CE1-CB 3.66Å; Y156-K196 HydrophobicContact CE1-CD 4.33Å; Y156-K196 HydrophobicContact CE1-CG 3.7Å |
| 157 | K | 74.2 | Confident | 85.6 | Confident | 100 Ų | 100 | 40.1 Ų | 40.1 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 4.9 | -173.5 | -64.8 | 165.7 | -177.2 | 155 | 0 | 116.3 | D101 R155 R159 D194 L195 | D101-K157 PolarHBondContact OD2-N 2.82Å; R155-K157 PolarHBondContact O-N 2.91Å; K157-R159 WeakPolarHBondContact O-CG 3.45Å; K157-R159 PolarHBondContact O-N 3.31Å; K157-D194 HydrophobicContact CB-CB 4.21Å; K157-L195 PolarHBondContact NZ-O 2.9Å |
| 158 | G | 63 | Low | 85.6 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | trans | -62.5 | 102 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R155 Y156 D160 | R155-G158 WeakPolarHBondContact O-CA 3.44Å; R155-G158 PolarHBondContact O-N 2.9Å; Y156-G158 PolarHBondContact O-N 2.83Å; G158-D160 PolarHBondContact O-N 2.03Å | ||
| 159 | R | 64.9 | Low | 85.6 | Confident | 251 Ų | 251 | 40.2 Ų | 40.2 | 95% | 0.947 | 19% | 0.187 | S | C | * | . | trans | -81 | 11 | 179.4 | -60.8 | -173 | 177.4 | -179.6 | -1.6 | 114.7 | K157 | K157-R159 WeakPolarHBondContact O-CG 3.45Å; K157-R159 PolarHBondContact O-N 3.31Å | ||
| 160 | D | 68.8 | Low | 85.7 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -100.4 | 175.9 | 179.2 | 54 | 52.8 | 0 | 0 | 0 | 111.1 | R155 G158 K162 R163 | R155-D160 IonicContact CZ-OD2 3.71Å; R155-D160 VanDerWaalsContact CZ-OD2 3.31Å; R155-D160 IonicContact NE-OD1 3.9Å; R155-D160 IonicContact NE-OD2 3.13Å; R155-D160 PolarHBondContact NE-OD2 2.85Å; R155-D160 IonicContact NH2-OD2 2.79Å; R155-D160 PolarHBondContact NH2-OD2 2.94Å; G158-D160 PolarHBondContact O-N 2.03Å; D160-K162 HydrophobicContact CB-CG 4.38Å; D160-K162 VanDerWaalsContact OD1-CB 3.28Å; D160-K162 WeakPolarHBondContact OD1-CB 3.02Å; D160-K162 PolarHBondContact OD1-N 2.89Å; D160-R163 VanDerWaalsContact O-CZ 3.3Å; D160-R163 PolarHBondContact O-NH1 3.38Å; D160-R163 PolarHBondContact O-NH2 2.83Å; D160-R163 IonicContact OD1-NH1 2.79Å |
| 161 | D | 75.7 | Confident | 85.8 | Confident | 125 Ų | 125 | 40.1 Ų | 40.1 | 67% | 0.668 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -91.6 | 8.8 | 177.1 | 53.1 | -15.4 | 0 | 0 | 0 | 113.4 | R163 | D161-R163 PolarHBondContact O-N 2.57Š|
| 162 | K | 82.8 | Confident | 86.1 | Confident | 93 Ų | 93 | 38.6 Ų | 38.6 | 40% | 0.404 | 18% | 0.178 | S | C | . | . | trans | -73.9 | 120.8 | -177.7 | -63 | 171.5 | 156.7 | -120.9 | 0 | 111.4 | D160 Q189 W190 | D160-K162 HydrophobicContact CB-CG 4.38Å; D160-K162 VanDerWaalsContact OD1-CB 3.28Å; D160-K162 WeakPolarHBondContact OD1-CB 3.02Å; D160-K162 PolarHBondContact OD1-N 2.89Å; K162-Q189 HydrophobicContact CB-CB 3.91Å; K162-Q189 WeakPolarHBondContact CD-O 3.23Å; K162-Q189 HydrophobicContact CG-CB 4.32Å; K162-Q189 PolarHBondContact NZ-O 3.32Å; K162-W190 HydrophobicContact CB-CB 4.39Å; K162-W190 HydrophobicContact CD-CB 4.48Å | ||
| 163 | R | 86 | Confident | 86.3 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | trans | -133.1 | 140.9 | 178.9 | -55.6 | -63.2 | 173 | -97 | -6.1 | 111.1 | S152 V153 D160 D161 Q189 | S152-R163 WeakPolarHBondContact O-CD 3.08Å; V153-R163 WeakPolarHBondContact O-CA 3.4Å; D160-R163 VanDerWaalsContact O-CZ 3.3Å; D160-R163 PolarHBondContact O-NH1 3.38Å; D160-R163 PolarHBondContact O-NH2 2.83Å; D160-R163 IonicContact OD1-NH1 2.79Å; D161-R163 PolarHBondContact O-N 2.57Å; R163-Q189 WeakPolarHBondContact O-CG 3.3Å; R163-Q189 PolarHBondContact O-OE1 3.14Å | ||
| 164 | N | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 161.8 | 176.2 | -68.6 | -3.8 | 0 | 0 | 0 | 110.4 | F96 S152 V153 F166 M188 Q189 W190 | F96-N164 VanDerWaalsContact CE1-ND2 3.33Å; F96-N164 WeakPolarHBondContact CE1-ND2 3.42Å; F96-N164 WeakPolarHBondContact CZ-ND2 3.08Å; S152-N164 CarbonylContact C-O 3.56Å; S152-N164 WeakPolarHBondContact CA-O 3.36Å; S152-N164 PolarHBondContact N-O 3.29Å; S152-N164 VanDerWaalsContact N-O 3.15Å; V153-N164 HydrophobicContact CG2-CB 4.21Å; V153-N164 PolarHBondContact N-O 2.99Å; V153-N164 PolarHBondContact O-N 2.81Å; N164-F166 HydrophobicContact CB-CD1 4.3Å; N164-F166 HydrophobicContact CB-CE1 4.18Å; N164-M188 HydrophobicContact CB-CE 3.96Å; N164-M188 HydrophobicContact CB-SD 4.09Å; N164-Q189 PolarHBondContact OD1-N 2.95Å; N164-W190 PolarHBondContact ND2-O 3.23Å; N164-W190 VanDerWaalsContact OD1-CD1 3.25Å; N164-W190 PolarHBondContact OD1-N 2.83Å |
| 165 | S | 91.9 | Very high | 86.4 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 127.7 | 170.1 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | K21 W150 S152 A184 | K21-S165 PolarHBondContact NZ-OG 2.76Å; W150-S165 VanDerWaalsContact O-CA 3.31Å; W150-S165 WeakPolarHBondContact O-CA 3.18Å; S152-S165 PolarHBondContact N-OG 3.18Å; S165-A184 WeakPolarHBondContact O-CB 3.33Å; S165-A184 PolarHBondContact O-N 2.84Å; S165-A184 VanDerWaalsContact O-N 3.08Å |
| 166 | F | 94.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.3 | -175.4 | 48.9 | -87.6 | 0 | 0 | 0 | 110.7 | I95 F96 I100 W150 V153 N164 L182 Y183 M188 | I95-F166 HydrophobicContact CB-CD2 4.39Å; I95-F166 HydrophobicContact CD1-CB 4.17Å; I95-F166 HydrophobicContact CD1-CD2 4.1Å; I95-F166 HydrophobicContact CG1-CB 4.41Å; I95-F166 HydrophobicContact CG1-CD2 3.95Å; I95-F166 HydrophobicContact CG2-CD2 3.62Å; I95-F166 HydrophobicContact CG2-CE2 3.74Å; F96-F166 HydrophobicContact CB-CD1 4.21Å; F96-F166 HydrophobicContact CB-CD2 4.15Å; F96-F166 HydrophobicContact CB-CE1 3.85Å; F96-F166 HydrophobicContact CB-CE2 3.77Å; F96-F166 HydrophobicContact CB-CG 4.36Å; F96-F166 HydrophobicContact CB-CZ 3.62Å; F96-F166 AromaticContact CD1-CE1 3.71Å; F96-F166 HydrophobicContact CD1-CE1 3.71Å; F96-F166 AromaticContact CD1-CZ 3.86Å; F96-F166 HydrophobicContact CD1-CZ 3.86Å; F96-F166 HydrophobicContact CG-CD1 4.45Å; F96-F166 AromaticContact CG-CE1 3.97Å; F96-F166 HydrophobicContact CG-CE1 3.97Å; F96-F166 HydrophobicContact CG-CZ 4.11Å; I100-F166 HydrophobicContact CD1-CZ 3.93Å; W150-F166 HydrophobicContact CB-CD1 4.33Å; W150-F166 HydrophobicContact CB-CD2 3.88Å; W150-F166 HydrophobicContact CB-CE1 3.95Å; W150-F166 HydrophobicContact CB-CE2 3.46Å; W150-F166 VanDerWaalsContact CB-CE2 3.46Å; W150-F166 HydrophobicContact CB-CG 4.3Å; W150-F166 HydrophobicContact CB-CZ 3.48Å; W150-F166 VanDerWaalsContact CB-CZ 3.48Å; W150-F166 AromaticContact CD1-CE2 3.96Å; W150-F166 AromaticContact CD1-CZ 3.94Å; W150-F166 AromaticContact CD2-CD2 3.94Å; W150-F166 HydrophobicContact CD2-CD2 3.94Å; W150-F166 AromaticContact CD2-CE2 3.34Å; W150-F166 HydrophobicContact CD2-CE2 3.34Å; W150-F166 HydrophobicContact CD2-CZ 4.09Å; W150-F166 AromaticContact CE3-CD2 3.63Å; W150-F166 HydrophobicContact CE3-CD2 3.63Å; W150-F166 AromaticContact CE3-CE2 3.5Å; W150-F166 HydrophobicContact CE3-CE2 3.5Å; W150-F166 HydrophobicContact CG-CD2 4.06Å; W150-F166 HydrophobicContact CG-CE1 4.5Å; W150-F166 AromaticContact CG-CE2 3.31Å; W150-F166 HydrophobicContact CG-CE2 3.31Å; W150-F166 AromaticContact CG-CZ 3.57Å; W150-F166 HydrophobicContact CG-CZ 3.57Å; W150-F166 HydrophobicContact CZ3-CD2 4.42Å; W150-F166 HydrophobicContact CZ3-CE2 4.34Å; W150-F166 PolarHBondContact N-O 2.89Å; W150-F166 PolarHBondContact O-N 3.12Å; W150-F166 VanDerWaalsContact O-N 3.15Å; V153-F166 HydrophobicContact CG2-CE1 3.75Å; V153-F166 HydrophobicContact CG2-CZ 4.16Å; N164-F166 HydrophobicContact CB-CD1 4.3Å; N164-F166 HydrophobicContact CB-CE1 4.18Å; F166-L182 CarbonylContact C-O 3.55Å; F166-L182 WeakPolarHBondContact CA-O 3.37Å; F166-Y183 HydrophobicContact CB-CD1 3.91Å; F166-Y183 HydrophobicContact CB-CE1 4.28Å; F166-M188 HydrophobicContact CD1-CE 3.8Å; F166-M188 HydrophobicContact CE1-CE 4.25Å |
| 167 | Q | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129 | -176.6 | -178.4 | 179.8 | 82.1 | 0 | 0 | 110.5 | F24 Y25 I95 I147 V148 T149 V169 L182 | F24-Q167 HydrophobicContact CD2-CB 3.6Å; F24-Q167 HydrophobicContact CD2-CG 4.46Å; F24-Q167 HydrophobicContact CE2-CB 3.67Å; F24-Q167 HydrophobicContact CG-CB 4.21Å; F24-Q167 HydrophobicContact CZ-CB 4.33Å; Y25-Q167 PolarHBondContact O-NE2 2.83Å; I95-Q167 VanDerWaalsContact CD1-O 3.26Å; I95-Q167 WeakPolarHBondContact CD1-O 3.35Å; I147-Q167 HydrophobicContact CG2-CG 4.22Å; V148-Q167 CarbonylContact O-C 3.49Å; V148-Q167 VanDerWaalsContact O-CA 3.28Å; V148-Q167 WeakPolarHBondContact O-CA 3.26Å; V148-Q167 WeakPolarHBondContact O-CG 3.42Å; T149-Q167 HydrophobicContact CG2-CB 4.2Å; T149-Q167 HydrophobicContact CG2-CG 4.44Å; T149-Q167 PolarHBondContact OG1-NE2 2.68Å; Q167-V169 HydrophobicContact CG-CG2 3.9Å; Q167-L182 HydrophobicContact CB-CB 4.3Å; Q167-L182 PolarHBondContact N-O 2.72Å; Q167-L182 WeakPolarHBondContact O-CB 3.22Å; Q167-L182 PolarHBondContact O-N 3.31Å |
| 168 | L | 97.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128 | 169.6 | 176.3 | 62.3 | 0 | 0 | 0 | 108.2 | L71 I93 I95 V148 W150 I170 A179 L181 | L71-L168 HydrophobicContact CB-CD2 4.17Å; L71-L168 HydrophobicContact CD2-CD2 4.09Å; I93-L168 HydrophobicContact CB-CD2 4.44Å; I93-L168 HydrophobicContact CG2-CD1 4.33Å; I93-L168 HydrophobicContact CG2-CD2 4.03Å; I95-L168 HydrophobicContact CD1-CB 3.96Å; V148-L168 PolarHBondContact N-O 3.46Å; V148-L168 PolarHBondContact O-N 3.37Å; W150-L168 HydrophobicContact CZ3-CB 4.25Å; L168-I170 HydrophobicContact CD1-CG1 4.21Å; L168-I170 HydrophobicContact CD2-CD1 4.26Å; L168-I170 HydrophobicContact CD2-CG1 4.48Å; L168-I170 HydrophobicContact CG-CD1 4.48Å; L168-I170 HydrophobicContact CG-CG1 4.16Å; L168-A179 HydrophobicContact CD1-CB 4.32Å; L168-L181 HydrophobicContact CD1-CD1 3.75Å; L168-L181 HydrophobicContact CD1-CG 4.01Å |
| 169 | V | 97.3 | Very high | 90 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.4 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 109 | Y25 L145 F146 I147 Q167 E180 | Y25-V169 HydrophobicContact CD2-CB 4.24Å; Y25-V169 HydrophobicContact CD2-CG1 4.33Å; Y25-V169 HydrophobicContact CD2-CG2 3.55Å; Y25-V169 HydrophobicContact CE1-CG1 4.47Å; Y25-V169 HydrophobicContact CE2-CB 4.27Å; Y25-V169 HydrophobicContact CE2-CG1 4.23Å; Y25-V169 HydrophobicContact CE2-CG2 4.07Å; Y25-V169 HydrophobicContact CG-CG1 4.47Å; Y25-V169 HydrophobicContact CG-CG2 3.95Å; L145-V169 HydrophobicContact CB-CG1 4.26Å; L145-V169 HydrophobicContact CD1-CG1 4.15Å; F146-V169 CarbonylContact O-C 3.57Å; F146-V169 WeakPolarHBondContact O-CA 3.3Å; I147-V169 HydrophobicContact CB-CG2 4.35Å; I147-V169 HydrophobicContact CG1-CG1 3.94Å; I147-V169 HydrophobicContact CG1-CG2 3.96Å; I147-V169 HydrophobicContact CG2-CG2 4.13Å; Q167-V169 HydrophobicContact CG-CG2 3.9Å; V169-E180 HydrophobicContact CB-CB 4.21Å; V169-E180 PolarHBondContact N-O 2.8Å; V169-E180 PolarHBondContact O-N 3.16Å |
| 170 | I | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.1 | 176.5 | -55.5 | 174.8 | 0 | 0 | 0 | 108.6 | I53 L71 I93 L145 F146 L168 Y178 I247 | I53-I170 HydrophobicContact CD1-CB 4.15Å; I53-I170 HydrophobicContact CD1-CD1 4.08Å; I53-I170 HydrophobicContact CD1-CG2 3.91Å; I53-I170 HydrophobicContact CG1-CG2 4.11Å; I53-I170 HydrophobicContact CG2-CG2 3.78Å; L71-I170 HydrophobicContact CD2-CD1 3.53Å; I93-I170 HydrophobicContact CD1-CD1 3.82Å; L145-I170 CarbonylContact C-O 3.45Å; L145-I170 WeakPolarHBondContact CA-O 3.2Å; F146-I170 PolarHBondContact N-O 2.95Å; F146-I170 PolarHBondContact O-N 2.92Å; L168-I170 HydrophobicContact CD1-CG1 4.21Å; L168-I170 HydrophobicContact CD2-CD1 4.26Å; L168-I170 HydrophobicContact CD2-CG1 4.48Å; L168-I170 HydrophobicContact CG-CD1 4.48Å; L168-I170 HydrophobicContact CG-CG1 4.16Å; I170-Y178 CarbonylContact C-O 3.54Å; I170-Y178 VanDerWaalsContact CA-O 3.29Å; I170-Y178 WeakPolarHBondContact CA-O 3.31Å; I170-Y178 WeakPolarHBondContact CG2-O 3.27Å; I170-I247 HydrophobicContact CG2-CD1 3.94Å |
| 171 | S | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.9 | 172.5 | 72.9 | 0 | 0 | 0 | 0 | 110.2 | S125 Y140 L145 S177 Y178 | S125-S171 VanDerWaalsContact OG-CB 3.25Å; S125-S171 WeakPolarHBondContact OG-CB 3.45Å; Y140-S171 WeakPolarHBondContact OH-CB 3.26Å; Y140-S171 PolarHBondContact OH-O 2.87Å; Y140-S171 PolarHBondContact OH-OG 2.69Å; L145-S171 VanDerWaalsContact CD2-CB 3.49Å; S171-S177 CarbonylContact O-C 3.55Å; S171-S177 WeakPolarHBondContact O-CA 3.41Å; S171-S177 WeakPolarHBondContact O-CB 3.01Å; S171-Y178 PolarHBondContact N-O 2.78Å; S171-Y178 PolarHBondContact O-N 3.23Å |
| 172 | T | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 140.9 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | F51 P52 I53 Y140 R143 M144 G174 S177 | F51-T172 HydrophobicContact CB-CG2 4.17Å; P52-T172 WeakPolarHBondContact O-CB 3.31Å; P52-T172 WeakPolarHBondContact O-CG2 3.41Å; P52-T172 PolarHBondContact O-OG1 2.72Å; I53-T172 HydrophobicContact CG1-CG2 4.32Å; Y140-T172 WeakPolarHBondContact OH-CA 3.04Å; Y140-T172 PolarHBondContact OH-N 3.09Å; R143-T172 PolarHBondContact N-O 3.37Å; M144-T172 HydrophobicContact CB-CG2 4.25Å; M144-T172 HydrophobicContact CE-CG2 3.64Å; M144-T172 PolarHBondContact N-O 2.94Å; M144-T172 VanDerWaalsContact N-O 3.13Å; M144-T172 PolarHBondContact O-N 2.9Å; T172-G174 PolarHBondContact OG1-N 3.41Å; T172-S177 WeakPolarHBondContact CB-OG 3.36Å; T172-S177 PolarHBondContact OG1-OG 3.26Å |
| 173 | N | 93.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 11.7 Ų | 11.7 | 13% | 0.128 | 7% | 0.07 | C | C | . | . | trans | -94.2 | -6.5 | 167.3 | 69.6 | 6.4 | 0 | 0 | 0 | 112.3 | Y140 E141 R143 T175 S176 | Y140-N173 HydrophobicContact CD2-CB 4.46Å; Y140-N173 HydrophobicContact CE2-CB 3.94Å; E141-N173 WeakPolarHBondContact O-CB 3.42Å; R143-N173 VanDerWaalsContact CD-O 3.31Å; R143-N173 WeakPolarHBondContact CD-O 3.48Å; R143-N173 PolarHBondContact NH1-O 3.41Å; N173-T175 PolarHBondContact OD1-N 2.73Å; N173-T175 PolarHBondContact OD1-OG1 2.04Å; N173-T175 VanDerWaalsContact OD1-OG1 3.05Å; N173-S176 PolarHBondContact N-O 3.46Å; N173-S176 PolarHBondContact OD1-N 2.73Å; N173-S176 PolarHBondContact OD1-O 2.86Å | ||
| 174 | G | 89.1 | Confident | 94.2 | Very high | 17 Ų | 17 | 9.8 Ų | 9.8 | 18% | 0.175 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 102.2 | -6.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T172 | T172-G174 PolarHBondContact OG1-N 3.41Š|
| 175 | T | 89.5 | Confident | 93.3 | Very high | 95 Ų | 95 | 13.9 Ų | 13.9 | 58% | 0.583 | 9% | 0.086 | S | C | * | . | S | Bend | trans | -130.1 | -33.3 | 172.8 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | C54 N173 T248 | C54-T175 PolarHBondContact SG-O 3.05Å; N173-T175 PolarHBondContact OD1-N 2.73Å; N173-T175 PolarHBondContact OD1-OG1 2.04Å; N173-T175 VanDerWaalsContact OD1-OG1 3.05Å; T175-T248 WeakPolarHBondContact O-CG2 3.19Å |
| 176 | S | 90.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 16 Ų | 16 | 26% | 0.259 | 11% | 0.109 | S | C | . | . | trans | -126.8 | 133.5 | -176.5 | -38.3 | 0 | 0 | 0 | 0 | 108.9 | N173 | N173-S176 PolarHBondContact N-O 3.46Å; N173-S176 PolarHBondContact OD1-N 2.73Å; N173-S176 PolarHBondContact OD1-O 2.86Å | ||
| 177 | S | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.6 | -176.4 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | C54 S171 T172 I247 T248 | C54-S177 PolarHBondContact N-OG 2.03Å; C54-S177 WeakPolarHBondContact O-CB 3.45Å; S171-S177 CarbonylContact O-C 3.55Å; S171-S177 WeakPolarHBondContact O-CA 3.41Å; S171-S177 WeakPolarHBondContact O-CB 3.01Å; T172-S177 WeakPolarHBondContact CB-OG 3.36Å; T172-S177 PolarHBondContact OG1-OG 3.26Å; S177-I247 VanDerWaalsContact O-CG1 3.28Å; S177-I247 WeakPolarHBondContact O-CG1 3.27Å; S177-I247 PolarHBondContact O-N 2.8Å; S177-T248 PolarHBondContact N-OG1 3.1Å |
| 178 | Y | 96.2 | Very high | 90 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.3 | 178.8 | -61 | -98.6 | 0 | 0 | 0 | 110 | V129 F133 S137 Y140 I170 S171 Y245 R246 | V129-Y178 HydrophobicContact CG1-CD1 4.05Å; V129-Y178 HydrophobicContact CG1-CD2 4.11Å; V129-Y178 HydrophobicContact CG1-CE1 3.86Å; V129-Y178 HydrophobicContact CG1-CE2 3.94Å; V129-Y178 HydrophobicContact CG1-CG 4.21Å; V129-Y178 HydrophobicContact CG2-CD1 4.13Å; V129-Y178 HydrophobicContact CG2-CD2 4.05Å; V129-Y178 HydrophobicContact CG2-CG 3.78Å; F133-Y178 HydrophobicContact CD2-CD1 4.17Å; F133-Y178 AromaticContact CD2-CE1 3.84Å; F133-Y178 HydrophobicContact CD2-CE1 3.84Å; F133-Y178 AromaticContact CE2-CD1 3.65Å; F133-Y178 HydrophobicContact CE2-CD1 3.65Å; F133-Y178 AromaticContact CE2-CE1 3.65Å; F133-Y178 HydrophobicContact CE2-CE1 3.65Å; F133-Y178 HydrophobicContact CG-CE1 4.4Å; F133-Y178 HydrophobicContact CZ-CD1 4.22Å; F133-Y178 HydrophobicContact CZ-CE1 4.08Å; S137-Y178 PolarHBondContact OG-OH 2.88Å; Y140-Y178 HydrophobicContact CD1-CD2 4.42Å; Y140-Y178 HydrophobicContact CD1-CE2 4.3Å; Y140-Y178 HydrophobicContact CD2-CD2 4.26Å; Y140-Y178 AromaticContact CD2-CE2 3.63Å; Y140-Y178 HydrophobicContact CD2-CE2 3.63Å; Y140-Y178 AromaticContact CE1-CD2 3.91Å; Y140-Y178 HydrophobicContact CE1-CD2 3.91Å; Y140-Y178 HydrophobicContact CE1-CE2 4.19Å; Y140-Y178 AromaticContact CE2-CD2 3.74Å; Y140-Y178 HydrophobicContact CE2-CD2 3.74Å; Y140-Y178 AromaticContact CE2-CE2 3.5Å; Y140-Y178 HydrophobicContact CE2-CE2 3.5Å; Y140-Y178 HydrophobicContact CG-CE2 4.04Å; Y140-Y178 AromaticContact CZ-CD2 3.53Å; Y140-Y178 AromaticContact CZ-CE2 3.79Å; I170-Y178 CarbonylContact C-O 3.54Å; I170-Y178 VanDerWaalsContact CA-O 3.29Å; I170-Y178 WeakPolarHBondContact CA-O 3.31Å; I170-Y178 WeakPolarHBondContact CG2-O 3.27Å; S171-Y178 PolarHBondContact N-O 2.78Å; S171-Y178 PolarHBondContact O-N 3.23Å; Y178-Y245 CarbonylContact C-O 3.46Å; Y178-Y245 WeakPolarHBondContact CA-O 3.49Å; Y178-Y245 WeakPolarHBondContact CB-O 3.16Å; Y178-R246 HydrophobicContact CD1-CB 3.94Å; Y178-R246 HydrophobicContact CE1-CB 3.56Å; Y178-R246 HydrophobicContact CE1-CG 3.92Å |
| 179 | A | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | L168 L181 F210 L244 Y245 I247 | L168-A179 HydrophobicContact CD1-CB 4.32Å; A179-L181 HydrophobicContact CB-CD1 3.82Å; A179-F210 HydrophobicContact CB-CE1 3.92Å; A179-F210 HydrophobicContact CB-CZ 4.2Å; A179-L244 WeakPolarHBondContact O-CA 3.5Å; A179-Y245 PolarHBondContact N-O 2.02Å; A179-Y245 PolarHBondContact O-N 2.85Å; A179-I247 HydrophobicContact CB-CD1 4.37Å; A179-I247 HydrophobicContact CB-CG2 3.64Å |
| 180 | E | 95.8 | Very high | 89 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.6 | 167.7 | -69.4 | 173.8 | -115.8 | 0 | 0 | 108.5 | Y25 S125 V169 L182 M242 F243 L244 | Y25-E180 WeakPolarHBondContact CE2-OE2 3.12Å; Y25-E180 VanDerWaalsContact CZ-OE2 3.3Å; Y25-E180 PolarHBondContact OH-OE1 2.93Å; Y25-E180 PolarHBondContact OH-OE2 3.19Å; S125-E180 WeakPolarHBondContact CB-OE1 3.48Å; S125-E180 PolarHBondContact OG-OE1 3.17Å; V169-E180 HydrophobicContact CB-CB 4.21Å; V169-E180 PolarHBondContact N-O 2.8Å; V169-E180 PolarHBondContact O-N 3.16Å; E180-L182 HydrophobicContact CB-CD2 4.28Å; E180-M242 HydrophobicContact CG-CE 4.2Å; E180-F243 CarbonylContact C-O 3.4Å; E180-F243 WeakPolarHBondContact CA-O 3.34Å; E180-L244 HydrophobicContact CG-CD1 3.6Å |
| 181 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.3 | 174.6 | -73.7 | 67.7 | 0 | 0 | 0 | 108.3 | I95 L168 A179 Y183 F210 L220 F243 Y245 | I95-L181 HydrophobicContact CB-CD2 4.49Å; I95-L181 HydrophobicContact CD1-CB 4.15Å; I95-L181 HydrophobicContact CD1-CG 4.18Å; I95-L181 HydrophobicContact CG1-CB 4.45Å; I95-L181 HydrophobicContact CG1-CD2 4.29Å; I95-L181 HydrophobicContact CG1-CG 4.25Å; L168-L181 HydrophobicContact CD1-CD1 3.75Å; L168-L181 HydrophobicContact CD1-CG 4.01Å; A179-L181 HydrophobicContact CB-CD1 3.82Å; L181-Y183 HydrophobicContact CB-CE2 4.2Å; L181-F210 HydrophobicContact CD1-CE1 4.41Å; L181-F210 HydrophobicContact CD1-CZ 3.95Å; L181-L220 HydrophobicContact CD2-CD1 4.32Å; L181-L220 HydrophobicContact CD2-CD2 4.04Å; L181-F243 HydrophobicContact CB-CB 4.31Å; L181-F243 PolarHBondContact N-O 3.21Å; L181-F243 PolarHBondContact O-N 2.93Å; L181-Y245 HydrophobicContact CD1-CD2 4.49Å |
| 182 | L | 94.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.4 | -170.7 | -47.3 | -179.2 | 0 | 0 | 0 | 110.6 | I19 F24 Y25 F166 Q167 E180 G241 M242 | I19-L182 HydrophobicContact CD1-CB 4Å; I19-L182 HydrophobicContact CD1-CD2 3.52Å; I19-L182 HydrophobicContact CD1-CG 4.24Å; F24-L182 HydrophobicContact CD1-CB 4.14Å; F24-L182 HydrophobicContact CE1-CB 3.86Å; F24-L182 HydrophobicContact CZ-CB 4.33Å; F24-L182 WeakPolarHBondContact CZ-O 3.2Å; Y25-L182 HydrophobicContact CD2-CD1 3.83Å; Y25-L182 HydrophobicContact CE2-CD1 4.12Å; F166-L182 CarbonylContact C-O 3.55Å; F166-L182 WeakPolarHBondContact CA-O 3.37Å; Q167-L182 HydrophobicContact CB-CB 4.3Å; Q167-L182 PolarHBondContact N-O 2.72Å; Q167-L182 WeakPolarHBondContact O-CB 3.22Å; Q167-L182 PolarHBondContact O-N 3.31Å; E180-L182 HydrophobicContact CB-CD2 4.28Å; L182-G241 CarbonylContact C-O 3.6Å; L182-G241 WeakPolarHBondContact CA-O 3.33Å; L182-M242 HydrophobicContact CD2-CE 4.46Å; L182-M242 HydrophobicContact CD2-CG 3.77Å |
| 183 | Y | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.2 | 177.8 | -57.2 | -84.9 | 0 | 0 | 0 | 110.5 | I95 F166 L181 M188 I231 G241 F243 | I95-Y183 HydrophobicContact CG1-CE1 3.96Å; I95-Y183 WeakPolarHBondContact O-CE1 3.28Å; I95-Y183 PolarHBondContact O-OH 3.22Å; F166-Y183 HydrophobicContact CB-CD1 3.91Å; F166-Y183 HydrophobicContact CB-CE1 4.28Å; L181-Y183 HydrophobicContact CB-CE2 4.2Å; Y183-M188 HydrophobicContact CD1-CE 4.25Å; Y183-M188 HydrophobicContact CD1-SD 4.22Å; Y183-I231 HydrophobicContact CD1-CG2 3.78Å; Y183-I231 HydrophobicContact CD2-CG1 4.13Å; Y183-I231 HydrophobicContact CD2-CG2 4.36Å; Y183-I231 HydrophobicContact CE1-CD1 4.04Å; Y183-I231 HydrophobicContact CE1-CG1 4.47Å; Y183-I231 HydrophobicContact CE1-CG2 4.03Å; Y183-I231 HydrophobicContact CE2-CD1 3.78Å; Y183-I231 HydrophobicContact CE2-CG1 3.82Å; Y183-I231 HydrophobicContact CG-CG2 3.97Å; Y183-I231 VanDerWaalsContact CZ-CD1 3.5Å; Y183-I231 WeakPolarHBondContact OH-CD1 3.28Å; Y183-G241 PolarHBondContact N-O 3.15Å; Y183-F243 HydrophobicContact CD2-CD2 4.12Å; Y183-F243 HydrophobicContact CD2-CE2 4.05Å; Y183-F243 AromaticContact CE2-CD2 3.76Å; Y183-F243 HydrophobicContact CE2-CD2 3.76Å; Y183-F243 AromaticContact CE2-CE2 3.83Å; Y183-F243 HydrophobicContact CE2-CE2 3.83Å |
| 184 | A | 87.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | trans | -83.4 | 143.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I19 K21 F24 S165 G187 | I19-A184 CarbonylContact O-C 3.51Å; I19-A184 WeakPolarHBondContact O-CA 3.08Å; K21-A184 HydrophobicContact CB-CB 4.11Å; K21-A184 HydrophobicContact CG-CB 4.5Å; F24-A184 HydrophobicContact CE1-CB 4.26Å; F24-A184 HydrophobicContact CZ-CB 3.79Å; S165-A184 WeakPolarHBondContact O-CB 3.33Å; S165-A184 PolarHBondContact O-N 2.84Å; S165-A184 VanDerWaalsContact O-N 3.08Å; A184-G187 PolarHBondContact O-N 3.26Å; A184-G187 VanDerWaalsContact O-N 3.12Å | ||
| 185 | D | 73.4 | Confident | 85 | Confident | 87 Ų | 87 | 34.4 Ų | 34.4 | 47% | 0.465 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 145.1 | 164.5 | -166.5 | 23.6 | 0 | 0 | 0 | 113.1 | A18 I19 G187 | A18-D185 HydrophobicContact CB-CB 4.12Å; I19-D185 PolarHBondContact O-N 3.28Å; D185-G187 VanDerWaalsContact C-N 3.33Å |
| 186 | G | 66.1 | Low | 83.9 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 57% | 0.567 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -4 | -159 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 187 | G | 60.5 | Low | 82.7 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 26% | 0.258 | 18% | 0.184 | S | C | . | . | trans | 74.6 | 176.9 | 163 | 0 | 0 | 0 | 0 | 0 | 116.5 | A184 D185 Q189 | A184-G187 PolarHBondContact O-N 3.26Å; A184-G187 VanDerWaalsContact O-N 3.12Å; D185-G187 VanDerWaalsContact C-N 3.33Å; G187-Q189 PolarHBondContact O-N 3.24Å | ||
| 188 | M | 85 | Confident | 80.8 | Confident | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | trans | -86.7 | 91.1 | 176 | -58.4 | -57.7 | -87.3 | 0 | 0 | 109.1 | F96 N164 F166 Y183 W190 I191 I231 | F96-M188 HydrophobicContact CB-CE 4.35Å; F96-M188 HydrophobicContact CD1-CE 4.13Å; F96-M188 HydrophobicContact CD2-CE 3.2Å; F96-M188 HydrophobicContact CE1-CE 4.24Å; F96-M188 HydrophobicContact CE2-CE 3.32Å; F96-M188 HydrophobicContact CG-CE 3.64Å; F96-M188 HydrophobicContact CZ-CE 3.86Å; N164-M188 HydrophobicContact CB-CE 3.96Å; N164-M188 HydrophobicContact CB-SD 4.09Å; F166-M188 HydrophobicContact CD1-CE 3.8Å; F166-M188 HydrophobicContact CE1-CE 4.25Å; Y183-M188 HydrophobicContact CD1-CE 4.25Å; Y183-M188 HydrophobicContact CD1-SD 4.22Å; M188-W190 PolarHBondContact O-N 2.58Å; M188-W190 VanDerWaalsContact O-N 3.14Å; M188-I191 HydrophobicContact CB-CG2 4.32Å; M188-I231 HydrophobicContact CG-CG2 3.64Å | ||
| 189 | Q | 85.8 | Confident | 79 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -64.7 | -19.2 | -171.6 | -57.5 | -177.6 | 3.5 | 0 | 0 | 113.2 | K162 R163 N164 G187 | K162-Q189 HydrophobicContact CB-CB 3.91Å; K162-Q189 WeakPolarHBondContact CD-O 3.23Å; K162-Q189 HydrophobicContact CG-CB 4.32Å; K162-Q189 PolarHBondContact NZ-O 3.32Å; R163-Q189 WeakPolarHBondContact O-CG 3.3Å; R163-Q189 PolarHBondContact O-OE1 3.14Å; N164-Q189 PolarHBondContact OD1-N 2.95Å; G187-Q189 PolarHBondContact O-N 3.24Å |
| 190 | W | 88.7 | Confident | 77.2 | Confident | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | trans | -142.7 | 147.3 | 172.2 | 64.2 | -93.3 | 0 | 0 | 0 | 111 | F96 A98 I100 V153 G154 R155 K162 N164 M188 | F96-W190 HydrophobicContact CE1-CE3 4.19Å; F96-W190 AromaticContact CE1-CH2 3.74Å; F96-W190 HydrophobicContact CE1-CH2 3.74Å; F96-W190 HydrophobicContact CE1-CZ2 4.08Å; F96-W190 AromaticContact CE1-CZ3 3.79Å; F96-W190 HydrophobicContact CE1-CZ3 3.79Å; F96-W190 HydrophobicContact CZ-CE3 4.24Å; F96-W190 HydrophobicContact CZ-CZ3 4.21Å; F96-W190 WeakPolarHBondContact CZ-O 3.18Å; A98-W190 HydrophobicContact CB-CH2 4.03Å; A98-W190 HydrophobicContact CB-CZ3 3.68Å; I100-W190 HydrophobicContact CG1-CH2 3.66Å; I100-W190 HydrophobicContact CG1-CZ2 3.91Å; V153-W190 PolarHBondContact O-NE1 3.35Å; V153-W190 VanDerWaalsContact O-NE1 3.15Å; G154-W190 VanDerWaalsContact C-CZ2 3.44Å; G154-W190 VanDerWaalsContact O-CZ2 3.31Å; G154-W190 WeakPolarHBondContact O-CZ2 3.18Å; R155-W190 HydrophobicContact CB-CD2 3.57Å; R155-W190 HydrophobicContact CB-CE3 3.55Å; R155-W190 HydrophobicContact CB-CG 4.14Å; R155-W190 HydrophobicContact CB-CH2 3.83Å; R155-W190 HydrophobicContact CB-CZ2 3.89Å; R155-W190 HydrophobicContact CB-CZ3 3.66Å; R155-W190 HydrophobicContact CG-CD2 4.41Å; K162-W190 HydrophobicContact CB-CB 4.39Å; K162-W190 HydrophobicContact CD-CB 4.48Å; N164-W190 PolarHBondContact ND2-O 3.23Å; N164-W190 VanDerWaalsContact OD1-CD1 3.25Å; N164-W190 PolarHBondContact OD1-N 2.83Å; M188-W190 PolarHBondContact O-N 2.58Å; M188-W190 VanDerWaalsContact O-N 3.14Å | ||
| 191 | I | 89.4 | Confident | 75.2 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -133.7 | 7.8 | 178.5 | 65.4 | 174.4 | 0 | 0 | 0 | 113.8 | M188 T205 A206 M228 A229 | M188-I191 HydrophobicContact CB-CG2 4.32Å; I191-T205 HydrophobicContact CB-CG2 4.3Å; I191-T205 HydrophobicContact CD1-CG2 3.57Å; I191-T205 HydrophobicContact CG1-CG2 3.83Å; I191-A206 PolarHBondContact O-N 3.28Å; I191-M228 HydrophobicContact CB-CB 4.4Å; I191-M228 HydrophobicContact CB-CG 4.34Å; I191-M228 HydrophobicContact CD1-CB 4.48Å; I191-M228 HydrophobicContact CG2-CB 4.09Å; I191-M228 HydrophobicContact CG2-CG 3.96Å; I191-A229 HydrophobicContact CD1-CB 4.26Å; I191-A229 HydrophobicContact CG2-CB 4.07Å |
| 192 | R | 85.1 | Confident | 73.7 | Confident | 122 Ų | 122 | 64.5 Ų | 64.5 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -144.6 | 142.5 | 173 | -74.4 | -169.2 | 169.7 | 146.2 | 6.1 | 109.6 | R155 P203 T205 | R155-R192 PolarHBondContact NH1-O 2.89Å; R192-P203 PolarHBondContact NE-O 3.36Å; R192-T205 HydrophobicContact CG-CG2 4.15Å; R192-T205 PolarHBondContact NH2-OG1 3.44Å |
| 193 | S | 77.1 | Confident | 72.5 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.119 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 166.5 | 169.6 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | D99 | D99-S193 WeakPolarHBondContact CB-OG 3.02Š|
| 194 | D | 72.8 | Confident | 71.8 | Confident | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -83 | 137.9 | 163.9 | -63.9 | -33.1 | 0 | 0 | 0 | 108.2 | R155 Y156 K157 K196 | R155-D194 IonicContact CZ-OD1 2.78Å; R155-D194 IonicContact CZ-OD2 3.14Å; R155-D194 VanDerWaalsContact NH1-CG 3.3Å; R155-D194 IonicContact NH1-OD1 2.61Å; R155-D194 PolarHBondContact NH1-OD1 3.37Å; R155-D194 IonicContact NH1-OD2 3.95Å; R155-D194 IonicContact NH2-OD1 3.57Å; R155-D194 PolarHBondContact NH2-OD1 2.96Å; R155-D194 IonicContact NH2-OD2 3.03Å; R155-D194 PolarHBondContact NH2-OD2 3.49Å; Y156-D194 WeakPolarHBondContact CD1-O 3.31Å; Y156-D194 PolarHBondContact O-N 3.04Å; K157-D194 HydrophobicContact CB-CB 4.21Å; D194-K196 PolarHBondContact O-N 3.09Å |
| 195 | L | 64.5 | Low | 71.8 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 37% | 0.366 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 119.9 | -168.1 | -72 | 166.5 | 0 | 0 | 0 | 114.7 | K157 V200 P203 | K157-L195 PolarHBondContact NZ-O 2.9Å; L195-V200 HydrophobicContact CD2-CB 4.32Å; L195-P203 HydrophobicContact CD2-CB 3.77Å; L195-P203 HydrophobicContact CD2-CG 3.85Å; L195-P203 HydrophobicContact CG-CG 4.5Å |
| 196 | K | 67.5 | Low | 72.7 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -73.5 | -43.1 | 162.4 | -162.9 | 171 | -122.8 | 161.5 | 0 | 110.8 | D40 D41 D99 Y156 D194 P198 | D40-K196 WeakPolarHBondContact OD1-CE 3.03Å; D40-K196 IonicContact OD1-NZ 3.83Å; D40-K196 PolarHBondContact OD1-NZ 3.24Å; D40-K196 IonicContact OD2-NZ 3.77Å; D41-K196 IonicContact OD1-NZ 2.8Å; D41-K196 PolarHBondContact OD1-NZ 3.44Å; D41-K196 IonicContact OD2-NZ 3.84Å; D41-K196 PolarHBondContact OD2-NZ 2.96Å; D99-K196 IonicContact OD1-NZ 3.15Å; D99-K196 PolarHBondContact OD1-NZ 3.5Å; D99-K196 WeakPolarHBondContact OD2-CB 3.47Å; D99-K196 IonicContact OD2-NZ 2.74Å; Y156-K196 HydrophobicContact CD1-CB 3.94Å; Y156-K196 HydrophobicContact CD1-CG 4.29Å; Y156-K196 HydrophobicContact CE1-CB 3.66Å; Y156-K196 HydrophobicContact CE1-CD 4.33Å; Y156-K196 HydrophobicContact CE1-CG 3.7Å; D194-K196 PolarHBondContact O-N 3.09Å; K196-P198 WeakPolarHBondContact O-CD 3.44Å |
| 197 | F | 64.9 | Low | 74 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -107.1 | 101.3 | 179 | -53 | -72 | 0 | 0 | 0 | 111.2 | Y80 H199 V200 | Y80-F197 HydrophobicContact CD1-CE2 4.31Å; Y80-F197 WeakPolarHBondContact O-CE2 3.38Å; F197-H199 PolarHBondContact O-N 3.16Å; F197-V200 HydrophobicContact CB-CG2 4.11Å; F197-V200 PolarHBondContact O-N 2.69Å |
| 198 | P | 56.4 | Low | 75.6 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 68% | 0.675 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 6.8 | -174.8 | 30.7 | -37 | 0 | 0 | 0 | 115 | K196 | K196-P198 WeakPolarHBondContact O-CD 3.44Š|
| 199 | H | 57.7 | Low | 76 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 79% | 0.792 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -15.1 | 177 | -61.8 | -76.5 | 0 | 0 | 0 | 113.3 | F197 Q201 | F197-H199 PolarHBondContact O-N 3.16Å; H199-Q201 PolarHBondContact O-N 3.4Å |
| 200 | V | 60.4 | Low | 76.5 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 28% | 0.279 | 28% | 0.28 | S | S | . | . | trans | -76.5 | 116.9 | 175 | -176 | 0 | 0 | 0 | 0 | 108.7 | D82 L195 F197 | D82-V200 HydrophobicContact CB-CG2 4.38Å; L195-V200 HydrophobicContact CD2-CB 4.32Å; F197-V200 HydrophobicContact CB-CG2 4.11Å; F197-V200 PolarHBondContact O-N 2.69Å | ||
| 201 | Q | 54 | Low | 76.6 | Confident | 184 Ų | 184 | 55.7 Ų | 55.7 | 86% | 0.86 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -77 | -31.6 | -174.3 | -62.6 | -173.5 | 9.2 | 0 | 0 | 113 | H199 | H199-Q201 PolarHBondContact O-N 3.4Š|
| 202 | N | 62.9 | Low | 76.5 | Confident | 142 Ų | 142 | 54.8 Ų | 54.8 | 76% | 0.759 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -135.1 | 96.2 | 177.3 | -74.5 | -41.5 | 0 | 0 | 0 | 108.8 | ||
| 203 | P | 69.8 | Low | 75.9 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 146.8 | 178.1 | 28.3 | -34.5 | 0 | 0 | 0 | 111.7 | D82 R192 L195 | D82-P203 VanDerWaalsContact OD2-CA 3.27Å; D82-P203 WeakPolarHBondContact OD2-CA 3.49Å; D82-P203 WeakPolarHBondContact OD2-CB 3.11Å; R192-P203 PolarHBondContact NE-O 3.36Å; L195-P203 HydrophobicContact CD2-CB 3.77Å; L195-P203 HydrophobicContact CD2-CG 3.85Å; L195-P203 HydrophobicContact CG-CG 4.5Å |
| 204 | H | 78.8 | Confident | 75.8 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.4 | -177.7 | -67.8 | 99.9 | 0 | 0 | 0 | 112.4 | D82 N224 | D82-H204 PolarHBondContact O-CE1 2.98Å; D82-H204 VanDerWaalsContact O-CE1 3.24Å; D82-H204 PolarHBondContact O-ND1 2.82Å; D82-H204 WeakPolarHBondContact OD1-CB 3.42Å; D82-H204 IonicContact OD1-CE1 2.86Å; D82-H204 IonicContact OD1-CG 4Å; D82-H204 PolarHBondContact OD1-N 2.86Å; D82-H204 VanDerWaalsContact OD1-N 3.09Å; D82-H204 IonicContact OD1-ND1 3.79Å; D82-H204 PolarHBondContact OD1-ND1 2.65Å; H204-N224 PolarHBondContact CD2-ND2 2.76Å |
| 205 | T | 87.5 | Confident | 76.2 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 147.9 | 162.2 | -11.5 | 0 | 0 | 0 | 0 | 108 | I191 R192 Q207 N224 | I191-T205 HydrophobicContact CB-CG2 4.3Å; I191-T205 HydrophobicContact CD1-CG2 3.57Å; I191-T205 HydrophobicContact CG1-CG2 3.83Å; R192-T205 HydrophobicContact CG-CG2 4.15Å; R192-T205 PolarHBondContact NH2-OG1 3.44Å; T205-Q207 WeakPolarHBondContact O-CG 3.09Å; T205-Q207 PolarHBondContact O-N 3.42Å; T205-N224 PolarHBondContact N-OD1 3.14Å; T205-N224 PolarHBondContact O-OD1 3.45Å; T205-N224 PolarHBondContact OG1-O 3.27Å |
| 206 | A | 91.5 | Very high | 76.9 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 141.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F96 Y97 A98 I191 N224 M228 | F96-A206 HydrophobicContact CD1-CB 4.47Å; F96-A206 HydrophobicContact CD2-CB 3.79Å; F96-A206 HydrophobicContact CE1-CB 4Å; F96-A206 HydrophobicContact CE2-CB 3.24Å; F96-A206 HydrophobicContact CG-CB 4.38Å; F96-A206 HydrophobicContact CZ-CB 3.36Å; Y97-A206 VanDerWaalsContact O-CA 3.25Å; Y97-A206 WeakPolarHBondContact O-CA 3.41Å; A98-A206 HydrophobicContact CB-CB 3.9Å; I191-A206 PolarHBondContact O-N 3.28Å; A206-N224 PolarHBondContact O-N 2.74Å; A206-N224 VanDerWaalsContact O-N 3.17Å; A206-M228 HydrophobicContact CB-CE 4.3Å; A206-M228 HydrophobicContact CB-CG 4.09Å; A206-M228 WeakPolarHBondContact O-CE 3.05Å |
| 207 | Q | 93.6 | Very high | 77.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153 | -166.6 | -47.4 | -178.3 | 42.7 | 0 | 0 | 111.7 | Q83 L85 F96 Y97 T205 S223 N224 | Q83-Q207 PolarHBondContact O-NE2 3.21Å; L85-Q207 HydrophobicContact CD1-CB 3.48Å; L85-Q207 VanDerWaalsContact CD1-CB 3.48Å; L85-Q207 HydrophobicContact CG-CB 3.74Å; F96-Q207 CarbonylContact C-O 3.51Å; F96-Q207 WeakPolarHBondContact CA-O 3.37Å; Y97-Q207 PolarHBondContact N-O 3Å; Y97-Q207 PolarHBondContact O-N 3.47Å; Y97-Q207 VanDerWaalsContact O-N 3.09Å; T205-Q207 WeakPolarHBondContact O-CG 3.09Å; T205-Q207 PolarHBondContact O-N 3.42Å; Q207-S223 WeakPolarHBondContact CA-OG 3.47Å; Q207-S223 WeakPolarHBondContact CB-OG 3.18Å; Q207-N224 HydrophobicContact CG-CB 4.01Å |
| 208 | A | 94.6 | Very high | 79 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 140.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A94 L220 S223 M228 | A94-A208 CarbonylContact O-C 3.48Å; A94-A208 VanDerWaalsContact O-CA 3.28Å; A94-A208 WeakPolarHBondContact O-CA 3.38Å; A208-L220 HydrophobicContact CB-CB 4.27Å; A208-L220 HydrophobicContact CB-CD1 4.46Å; A208-L220 HydrophobicContact CB-CD2 4.27Å; A208-L220 PolarHBondContact O-N 2.7Å; A208-S223 PolarHBondContact N-OG 2.91Å; A208-S223 WeakPolarHBondContact O-CB 3.2Å; A208-S223 PolarHBondContact O-OG 2.92Å; A208-M228 HydrophobicContact CB-CE 3.85Å |
| 209 | G | 94.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -173.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A94 Y218 | A94-G209 PolarHBondContact N-O 2.91Å; A94-G209 PolarHBondContact O-N 2.86Å; G209-Y218 CarbonylContact C-O 3.57Å; G209-Y218 WeakPolarHBondContact CA-O 3.19Å |
| 210 | F | 95.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.8 | -176.6 | -53 | -85.3 | 0 | 0 | 0 | 109.1 | F55 Y56 I93 A179 L181 P217 Y218 L220 Y245 I247 I251 | F55-F210 HydrophobicContact CE2-CB 3.92Å; F55-F210 AromaticContact CE2-CD1 3.9Å; F55-F210 HydrophobicContact CE2-CD1 3.9Å; F55-F210 HydrophobicContact CE2-CG 4.36Å; F55-F210 HydrophobicContact CZ-CB 4.08Å; Y56-F210 HydrophobicContact CE2-CB 4.22Å; Y56-F210 PolarHBondContact OH-O 3.45Å; I93-F210 HydrophobicContact CB-CD1 4.33Å; I93-F210 HydrophobicContact CD1-CD1 4.12Å; I93-F210 HydrophobicContact CD1-CE1 4.28Å; I93-F210 HydrophobicContact CG1-CD1 3.93Å; I93-F210 HydrophobicContact CG1-CE1 4.44Å; I93-F210 HydrophobicContact CG2-CD1 3.75Å; I93-F210 HydrophobicContact CG2-CE1 3.67Å; A179-F210 HydrophobicContact CB-CE1 3.92Å; A179-F210 HydrophobicContact CB-CZ 4.2Å; L181-F210 HydrophobicContact CD1-CE1 4.41Å; L181-F210 HydrophobicContact CD1-CZ 3.95Å; F210-P217 WeakPolarHBondContact O-CA 3Å; F210-Y218 AromaticContact CD2-CD1 3.88Å; F210-Y218 HydrophobicContact CD2-CD1 3.88Å; F210-Y218 HydrophobicContact CD2-CG 4.3Å; F210-Y218 HydrophobicContact CE2-CD1 4.24Å; F210-Y218 PolarHBondContact N-O 2.87Å; F210-Y218 PolarHBondContact O-N 2.8Å; F210-L220 HydrophobicContact CE2-CD1 4.15Å; F210-Y245 HydrophobicContact CE2-CD1 4.45Å; F210-Y245 AromaticContact CE2-CD2 3.56Å; F210-Y245 HydrophobicContact CE2-CD2 3.56Å; F210-Y245 AromaticContact CE2-CE2 3.9Å; F210-Y245 HydrophobicContact CE2-CE2 3.9Å; F210-Y245 AromaticContact CE2-CG 3.85Å; F210-Y245 HydrophobicContact CE2-CG 3.85Å; F210-Y245 AromaticContact CZ-CD2 3.53Å; F210-Y245 HydrophobicContact CZ-CD2 3.53Å; F210-Y245 HydrophobicContact CZ-CE2 4.19Å; F210-Y245 AromaticContact CZ-CG 3.97Å; F210-Y245 HydrophobicContact CZ-CG 3.97Å; F210-I247 HydrophobicContact CD1-CG2 4.14Å; F210-I247 HydrophobicContact CE1-CG2 3.72Å; F210-I247 HydrophobicContact CZ-CG2 4.18Å; F210-I251 HydrophobicContact CB-CD1 4.16Å; F210-I251 HydrophobicContact CB-CG1 4.17Å; F210-I251 HydrophobicContact CD2-CG1 4.49Å; F210-I251 HydrophobicContact CD2-CG2 3.92Å; F210-I251 HydrophobicContact CE2-CG2 4.12Å; F210-I251 HydrophobicContact CG-CD1 4.27Å; F210-I251 HydrophobicContact CG-CG1 4.43Å |
| 211 | V | 91.5 | Very high | 83.2 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.5 | -175.7 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | F55 L85 F88 P91 L92 P217 | F55-V211 WeakPolarHBondContact CE1-O 3.46Å; L85-V211 HydrophobicContact CB-CG2 4.2Å; F88-V211 HydrophobicContact CB-CG1 4.49Å; P91-V211 CarbonylContact C-O 3.34Å; P91-V211 WeakPolarHBondContact CA-O 3.01Å; L92-V211 HydrophobicContact CD1-CB 4.06Å; L92-V211 HydrophobicContact CD1-CG2 4.19Å; L92-V211 HydrophobicContact CG-CB 4.17Å; L92-V211 PolarHBondContact N-O 3.14Å; L92-V211 PolarHBondContact O-N 2.7Å; V211-P217 HydrophobicContact CG2-CB 4.15Å |
| 212 | S | 87.3 | Confident | 84.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | trans | -152.7 | 142.4 | 172 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | N214 N215 | S212-N214 PolarHBondContact O-N 3.39Å; S212-N215 PolarHBondContact O-N 2.98Å; S212-N215 VanDerWaalsContact O-N 3.16Å | ||
| 213 | P | 71 | Confident | 85.8 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 140.6 | 170.6 | -28.3 | 35.9 | 0 | 0 | 0 | 112.1 | N89 N215 | N89-P213 WeakPolarHBondContact O-CG 3.43Å; P213-N215 PolarHBondContact O-N 3.19Å; P213-N215 VanDerWaalsContact O-N 3.16Å |
| 214 | N | 75.6 | Confident | 86.6 | Confident | 173 Ų | 173 | 37.1 Ų | 37.1 | 93% | 0.925 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 6.1 | -179.7 | -41.5 | -30.4 | 0 | 0 | 0 | 115.4 | S212 | S212-N214 PolarHBondContact O-N 3.39Š|
| 215 | N | 81.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -119.8 | 149.4 | 177.2 | -95 | -87.3 | 0 | 0 | 0 | 110.7 | Y56 D57 S212 P213 | Y56-N215 HydrophobicContact CD1-CB 3.59Å; Y56-N215 WeakPolarHBondContact CD1-OD1 3.5Å; Y56-N215 HydrophobicContact CD2-CB 4.43Å; Y56-N215 HydrophobicContact CE1-CB 3.76Å; Y56-N215 HydrophobicContact CG-CB 3.94Å; D57-N215 PolarHBondContact OD2-ND2 2.84Å; S212-N215 PolarHBondContact O-N 2.98Å; S212-N215 VanDerWaalsContact O-N 3.16Å; P213-N215 PolarHBondContact O-N 3.19Å; P213-N215 VanDerWaalsContact O-N 3.16Å |
| 216 | A | 78.4 | Confident | 86.3 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 69% | 0.686 | 25% | 0.247 | S | C | * | . | trans | -67.5 | 126.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y56 | Y56-A216 PolarHBondContact OH-O 3.27Å; Y56-A216 VanDerWaalsContact OH-O 3.05Å | ||
| 217 | P | 85.7 | Confident | 85.9 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | trans | -69.7 | 134.9 | -180 | 28.5 | -33.9 | 0 | 0 | 0 | 111 | T86 F210 V211 | T86-P217 HydrophobicContact CG2-CB 4.02Å; T86-P217 HydrophobicContact CG2-CG 3.63Å; F210-P217 WeakPolarHBondContact O-CA 3Å; V211-P217 HydrophobicContact CG2-CB 4.15Å | ||
| 218 | Y | 91.4 | Very high | 85.7 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 104.8 | 177 | -170.5 | -71.5 | 0 | 0 | 0 | 109.4 | G209 F210 Y245 I251 | G209-Y218 CarbonylContact C-O 3.57Å; G209-Y218 WeakPolarHBondContact CA-O 3.19Å; F210-Y218 AromaticContact CD2-CD1 3.88Å; F210-Y218 HydrophobicContact CD2-CD1 3.88Å; F210-Y218 HydrophobicContact CD2-CG 4.3Å; F210-Y218 HydrophobicContact CE2-CD1 4.24Å; F210-Y218 PolarHBondContact N-O 2.87Å; F210-Y218 PolarHBondContact O-N 2.8Å; Y218-Y245 HydrophobicContact CD1-CE1 4.47Å; Y218-Y245 HydrophobicContact CE1-CD1 4.28Å; Y218-Y245 AromaticContact CE1-CE1 3.53Å; Y218-Y245 HydrophobicContact CE1-CE1 3.53Å; Y218-Y245 AromaticContact CE1-CZ 3.83Å; Y218-Y245 AromaticContact CZ-CE1 3.65Å; Y218-Y245 WeakPolarHBondContact OH-CE1 3.37Å; Y218-I251 HydrophobicContact CD1-CG2 4.08Å; Y218-I251 HydrophobicContact CD2-CB 3.76Å; Y218-I251 HydrophobicContact CD2-CG2 3.74Å; Y218-I251 HydrophobicContact CE2-CB 4.49Å; Y218-I251 HydrophobicContact CE2-CG2 4.18Å; Y218-I251 HydrophobicContact CG-CB 3.94Å; Y218-I251 HydrophobicContact CG-CG1 4.41Å; Y218-I251 HydrophobicContact CG-CG2 3.7Å |
| 219 | L | 90.9 | Very high | 85.2 | Confident | 63 Ų | 63 | 44 Ų | 44 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.6 | 174.9 | -59.3 | -178 | 0 | 0 | 0 | 110.7 | L85 T86 | L85-L219 HydrophobicContact CB-CD2 3.95Å; L85-L219 HydrophobicContact CD1-CD2 3.86Å; T86-L219 HydrophobicContact CG2-CD1 4.42Å |
| 220 | L | 90.6 | Very high | 84.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -70.6 | 147.7 | 172 | -88.6 | 69.1 | 0 | 0 | 0 | 110.1 | L181 A208 F210 Q222 S223 I231 F243 Y245 | L181-L220 HydrophobicContact CD2-CD1 4.32Å; L181-L220 HydrophobicContact CD2-CD2 4.04Å; A208-L220 HydrophobicContact CB-CB 4.27Å; A208-L220 HydrophobicContact CB-CD1 4.46Å; A208-L220 HydrophobicContact CB-CD2 4.27Å; A208-L220 PolarHBondContact O-N 2.7Å; F210-L220 HydrophobicContact CE2-CD1 4.15Å; L220-Q222 PolarHBondContact O-N 2.69Å; L220-S223 WeakPolarHBondContact O-CB 3.2Å; L220-S223 PolarHBondContact O-N 2.79Å; L220-I231 HydrophobicContact CD2-CD1 4.1Å; L220-F243 HydrophobicContact CD2-CD1 4.1Å; L220-F243 HydrophobicContact CD2-CD2 4.3Å; L220-F243 HydrophobicContact CD2-CE1 4.24Å; L220-F243 HydrophobicContact CD2-CE2 4.46Å; L220-F243 HydrophobicContact CD2-CG 4.12Å; L220-F243 HydrophobicContact CD2-CZ 4.42Å; L220-Y245 HydrophobicContact CD1-CE2 4.17Å; L220-Y245 HydrophobicContact CG-CE2 4.43Å | ||
| 221 | P | 80.1 | Confident | 84.4 | Confident | 102 Ų | 102 | 47.3 Ų | 47.3 | 66% | 0.662 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -9.7 | -175.3 | -25.2 | 34.9 | 0 | 0 | 0 | 116.4 | ||
| 222 | Q | 83.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -3.5 | 177 | -56 | 76.2 | 17.2 | 0 | 0 | 112.6 | L220 A225 M228 I231 Y234 | L220-Q222 PolarHBondContact O-N 2.69Å; Q222-A225 PolarHBondContact O-N 2.78Å; Q222-M228 WeakPolarHBondContact O-CB 3.38Å; Q222-I231 HydrophobicContact CB-CB 4.29Å; Q222-I231 HydrophobicContact CB-CD1 4.25Å; Q222-I231 HydrophobicContact CB-CG1 4.25Å; Q222-I231 HydrophobicContact CG-CB 4.41Å; Q222-I231 HydrophobicContact CG-CG1 4.34Å; Q222-Y234 HydrophobicContact CG-CD2 3.68Å; Q222-Y234 HydrophobicContact CG-CE2 4Å; Q222-Y234 HydrophobicContact CG-CG 4.31Å; Q222-Y234 VanDerWaalsContact NE2-CB 3.34Å |
| 223 | S | 89.2 | Confident | 83.9 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 139.2 | -178.2 | -171.7 | 0 | 0 | 0 | 0 | 112 | Q207 A208 L220 A225 | Q207-S223 WeakPolarHBondContact CA-OG 3.47Å; Q207-S223 WeakPolarHBondContact CB-OG 3.18Å; A208-S223 PolarHBondContact N-OG 2.91Å; A208-S223 WeakPolarHBondContact O-CB 3.2Å; A208-S223 PolarHBondContact O-OG 2.92Å; L220-S223 WeakPolarHBondContact O-CB 3.2Å; L220-S223 PolarHBondContact O-N 2.79Å; S223-A225 PolarHBondContact O-N 2.89Å |
| 224 | N | 87.4 | Confident | 84.6 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 13.8 | 178.8 | -152.7 | -1.4 | 0 | 0 | 0 | 114.8 | D84 H204 T205 A206 Q207 | D84-N224 PolarHBondContact OD2-ND2 2.98Å; H204-N224 PolarHBondContact CD2-ND2 2.76Å; T205-N224 PolarHBondContact N-OD1 3.14Å; T205-N224 PolarHBondContact O-OD1 3.45Å; T205-N224 PolarHBondContact OG1-O 3.27Å; A206-N224 PolarHBondContact O-N 2.74Å; A206-N224 VanDerWaalsContact O-N 3.17Å; Q207-N224 HydrophobicContact CG-CB 4.01Å |
| 225 | A | 81.3 | Confident | 85.1 | Confident | 25 Ų | 25 | 48 Ų | 48 | 21% | 0.207 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -117 | 157.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q222 S223 T227 M228 | Q222-A225 PolarHBondContact O-N 2.78Å; S223-A225 PolarHBondContact O-N 2.89Å; A225-T227 WeakPolarHBondContact CB-OG1 3.32Å; A225-T227 PolarHBondContact O-N 3.18Å; A225-T227 VanDerWaalsContact O-N 3.14Å; A225-M228 WeakPolarHBondContact O-CB 3.35Å; A225-M228 PolarHBondContact O-N 3.35Å |
| 226 | P | 78.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 46.4 Ų | 46.4 | 69% | 0.688 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -57.6 | -25.6 | 172.1 | -25 | 35.1 | 0 | 0 | 0 | 113.7 | M228 A229 | P226-M228 PolarHBondContact O-N 2.81Å; P226-A229 PolarHBondContact O-N 2.8Å |
| 227 | T | 83 | Confident | 85.7 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -66.6 | -11.5 | 174.8 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | A225 A229 L230 I231 | A225-T227 WeakPolarHBondContact CB-OG1 3.32Å; A225-T227 PolarHBondContact O-N 3.18Å; A225-T227 VanDerWaalsContact O-N 3.14Å; T227-A229 PolarHBondContact O-N 2.81Å; T227-A229 VanDerWaalsContact O-N 3.13Å; T227-L230 CarbonylContact O-C 3.53Å; T227-L230 WeakPolarHBondContact O-CA 3.17Å; T227-L230 WeakPolarHBondContact O-CB 3.28Å; T227-L230 PolarHBondContact O-N 2.9Å; T227-I231 PolarHBondContact O-N 3.33Å |
| 228 | M | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -55.8 | -26 | 170.4 | -175.4 | 51.5 | 119.7 | 0 | 0 | 112.7 | F96 I191 A206 A208 Q222 A225 P226 L230 I231 | F96-M228 HydrophobicContact CD2-CE 3.79Å; F96-M228 HydrophobicContact CD2-CG 4.39Å; F96-M228 HydrophobicContact CD2-SD 4.09Å; F96-M228 HydrophobicContact CE2-CE 4.24Å; F96-M228 HydrophobicContact CE2-CG 3.93Å; F96-M228 HydrophobicContact CE2-SD 4.2Å; I191-M228 HydrophobicContact CB-CB 4.4Å; I191-M228 HydrophobicContact CB-CG 4.34Å; I191-M228 HydrophobicContact CD1-CB 4.48Å; I191-M228 HydrophobicContact CG2-CB 4.09Å; I191-M228 HydrophobicContact CG2-CG 3.96Å; A206-M228 HydrophobicContact CB-CE 4.3Å; A206-M228 HydrophobicContact CB-CG 4.09Å; A206-M228 WeakPolarHBondContact O-CE 3.05Å; A208-M228 HydrophobicContact CB-CE 3.85Å; Q222-M228 WeakPolarHBondContact O-CB 3.38Å; A225-M228 WeakPolarHBondContact O-CB 3.35Å; A225-M228 PolarHBondContact O-N 3.35Å; P226-M228 PolarHBondContact O-N 2.81Å; M228-L230 PolarHBondContact O-N 2.75Å; M228-I231 HydrophobicContact CE-CD1 4.23Å; M228-I231 VanDerWaalsContact O-CG2 3.3Å; M228-I231 WeakPolarHBondContact O-CG2 3.44Å; M228-I231 PolarHBondContact O-N 3.26Å; M228-I231 HydrophobicContact SD-CB 3.98Å; M228-I231 HydrophobicContact SD-CD1 3.59Å; M228-I231 VanDerWaalsContact SD-CD1 3.59Å; M228-I231 HydrophobicContact SD-CG1 4.39Å; M228-I231 HydrophobicContact SD-CG2 3.87Å |
| 229 | A | 83.8 | Confident | 84.7 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -63.6 | -28.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I191 P226 T227 | I191-A229 HydrophobicContact CD1-CB 4.26Å; I191-A229 HydrophobicContact CG2-CB 4.07Å; P226-A229 PolarHBondContact O-N 2.8Å; T227-A229 PolarHBondContact O-N 2.81Å; T227-A229 VanDerWaalsContact O-N 3.13Å |
| 230 | L | 83.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -100.9 | 6.7 | -176.3 | -54.1 | 176.9 | 0 | 0 | 0 | 112.6 | T227 M228 A232 E233 Y234 | T227-L230 CarbonylContact O-C 3.53Å; T227-L230 WeakPolarHBondContact O-CA 3.17Å; T227-L230 WeakPolarHBondContact O-CB 3.28Å; T227-L230 PolarHBondContact O-N 2.9Å; M228-L230 PolarHBondContact O-N 2.75Å; L230-A232 PolarHBondContact O-N 3.12Å; L230-E233 WeakPolarHBondContact O-CB 3.24Å; L230-E233 PolarHBondContact O-N 2.85Å; L230-Y234 HydrophobicContact CB-CD2 4.37Å; L230-Y234 HydrophobicContact CB-CE2 3.91Å; L230-Y234 VanDerWaalsContact O-CD2 3.24Å; L230-Y234 WeakPolarHBondContact O-CD2 3.34Å |
| 231 | I | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.2 | -177.7 | -164.9 | 165.9 | 0 | 0 | 0 | 113.2 | Y183 M188 L220 Q222 T227 M228 E233 Y234 F243 | Y183-I231 HydrophobicContact CD1-CG2 3.78Å; Y183-I231 HydrophobicContact CD2-CG1 4.13Å; Y183-I231 HydrophobicContact CD2-CG2 4.36Å; Y183-I231 HydrophobicContact CE1-CD1 4.04Å; Y183-I231 HydrophobicContact CE1-CG1 4.47Å; Y183-I231 HydrophobicContact CE1-CG2 4.03Å; Y183-I231 HydrophobicContact CE2-CD1 3.78Å; Y183-I231 HydrophobicContact CE2-CG1 3.82Å; Y183-I231 HydrophobicContact CG-CG2 3.97Å; Y183-I231 VanDerWaalsContact CZ-CD1 3.5Å; Y183-I231 WeakPolarHBondContact OH-CD1 3.28Å; M188-I231 HydrophobicContact CG-CG2 3.64Å; L220-I231 HydrophobicContact CD2-CD1 4.1Å; Q222-I231 HydrophobicContact CB-CB 4.29Å; Q222-I231 HydrophobicContact CB-CD1 4.25Å; Q222-I231 HydrophobicContact CB-CG1 4.25Å; Q222-I231 HydrophobicContact CG-CB 4.41Å; Q222-I231 HydrophobicContact CG-CG1 4.34Å; T227-I231 PolarHBondContact O-N 3.33Å; M228-I231 HydrophobicContact CE-CD1 4.23Å; M228-I231 VanDerWaalsContact O-CG2 3.3Å; M228-I231 WeakPolarHBondContact O-CG2 3.44Å; M228-I231 PolarHBondContact O-N 3.26Å; M228-I231 HydrophobicContact SD-CB 3.98Å; M228-I231 HydrophobicContact SD-CD1 3.59Å; M228-I231 VanDerWaalsContact SD-CD1 3.59Å; M228-I231 HydrophobicContact SD-CG1 4.39Å; M228-I231 HydrophobicContact SD-CG2 3.87Å; I231-E233 VanDerWaalsContact C-N 3.28Å; I231-E233 PolarHBondContact O-N 2.93Å; I231-Y234 PolarHBondContact O-N 2.77Å; I231-F243 HydrophobicContact CG1-CE2 3.85Å; I231-F243 HydrophobicContact CG1-CZ 4.02Å |
| 232 | A | 87.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A18 L230 P240 G241 | A18-A232 VanDerWaalsContact CA-O 3.29Å; A18-A232 WeakPolarHBondContact CA-O 3.43Å; A18-A232 HydrophobicContact CB-CB 3.67Å; A18-A232 WeakPolarHBondContact CB-O 3.08Å; L230-A232 PolarHBondContact O-N 3.12Å; A232-P240 CarbonylContact O-C 3.53Å; A232-G241 VanDerWaalsContact O-CA 3.22Å; A232-G241 WeakPolarHBondContact O-CA 3.03Å; A232-G241 PolarHBondContact O-N 3.47Å |
| 233 | E | 82.4 | Confident | 85.1 | Confident | 115 Ų | 115 | 40.4 Ų | 40.4 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -17.2 | 178.2 | -58.8 | 177.2 | -167.5 | 0 | 0 | 112.3 | L230 I231 | L230-E233 WeakPolarHBondContact O-CB 3.24Å; L230-E233 PolarHBondContact O-N 2.85Å; I231-E233 VanDerWaalsContact C-N 3.28Å; I231-E233 PolarHBondContact O-N 2.93Å |
| 234 | Y | 84.6 | Confident | 85.4 | Confident | 100 Ų | 100 | 39.7 Ų | 39.7 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | trans | -92 | 163.6 | 178.3 | -69.3 | -79.1 | 0 | 0 | 0 | 112.8 | Q222 L230 I231 G241 | Q222-Y234 HydrophobicContact CG-CD2 3.68Å; Q222-Y234 HydrophobicContact CG-CE2 4Å; Q222-Y234 HydrophobicContact CG-CG 4.31Å; Q222-Y234 VanDerWaalsContact NE2-CB 3.34Å; L230-Y234 HydrophobicContact CB-CD2 4.37Å; L230-Y234 HydrophobicContact CB-CE2 3.91Å; L230-Y234 VanDerWaalsContact O-CD2 3.24Å; L230-Y234 WeakPolarHBondContact O-CD2 3.34Å; I231-Y234 PolarHBondContact O-N 2.77Å; Y234-G241 PolarHBondContact O-N 2.88Å | ||
| 235 | S | 87.6 | Confident | 85.7 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | trans | -168.5 | 149.8 | 177.8 | 159.9 | 0 | 0 | 0 | 0 | 111.6 | V237 D238 L239 M242 | S235-V237 PolarHBondContact OG-N 2.86Å; S235-D238 PolarHBondContact OG-N 2.76Å; S235-L239 WeakPolarHBondContact CB-O 3.26Å; S235-L239 PolarHBondContact OG-N 2.92Å; S235-L239 PolarHBondContact OG-O 3.39Å; S235-M242 VanDerWaalsContact CA-O 3.29Å; S235-M242 WeakPolarHBondContact CA-O 3.36Å; S235-M242 VanDerWaalsContact CB-O 3.25Å; S235-M242 WeakPolarHBondContact CB-O 3.32Å; S235-M242 PolarHBondContact OG-O 2.98Å; S235-M242 VanDerWaalsContact OG-O 3.11Å | ||
| 236 | N | 87.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -97.8 | -7.5 | 166.5 | 69.9 | -3.8 | 0 | 0 | 0 | 113.7 | F243 L244 Y245 D253 K255 | N236-F243 HydrophobicContact CB-CD1 4.44Å; N236-F243 VanDerWaalsContact OD1-CA 3.3Å; N236-F243 WeakPolarHBondContact OD1-CA 3.31Å; N236-L244 PolarHBondContact ND2-O 3.28Å; N236-L244 PolarHBondContact OD1-N 2.94Å; N236-Y245 VanDerWaalsContact ND2-CE1 3.31Å; N236-Y245 WeakPolarHBondContact ND2-CE1 3.39Å; N236-D253 HydrophobicContact CB-CB 4.48Å; N236-D253 WeakPolarHBondContact ND2-CB 3.35Å; N236-K255 VanDerWaalsContact O-CE 3.26Å; N236-K255 WeakPolarHBondContact O-CE 3.39Å |
| 237 | V | 84.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -113 | 16 | 179.4 | -76.6 | 0 | 0 | 0 | 0 | 114.2 | K132 S235 L239 M242 L244 P254 | K132-V237 HydrophobicContact CB-CG1 4.24Å; K132-V237 HydrophobicContact CD-CB 4.01Å; K132-V237 HydrophobicContact CD-CG1 3.92Å; K132-V237 WeakPolarHBondContact CE-O 3.27Å; K132-V237 HydrophobicContact CG-CB 4.33Å; K132-V237 HydrophobicContact CG-CG1 3.85Å; K132-V237 PolarHBondContact NZ-O 2.97Å; S235-V237 PolarHBondContact OG-N 2.86Å; V237-L239 HydrophobicContact CG2-CB 4.25Å; V237-L239 PolarHBondContact O-N 3.02Å; V237-M242 HydrophobicContact CG2-CB 3.76Å; V237-M242 HydrophobicContact CG2-CG 3.73Å; V237-M242 HydrophobicContact CG2-SD 4Å; V237-L244 HydrophobicContact CG1-CB 3.57Å; V237-L244 HydrophobicContact CG1-CD2 4.03Å; V237-L244 HydrophobicContact CG1-CG 4.45Å; V237-P254 HydrophobicContact CG1-CG 3.77Å |
| 238 | D | 74.8 | Confident | 87.5 | Confident | 111 Ų | 111 | 33.3 Ų | 33.3 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | S | Bend | trans | 54.7 | 29.4 | -174.6 | -45.5 | -46 | 0 | 0 | 0 | 114.8 | S235 K255 | S235-D238 PolarHBondContact OG-N 2.76Å; D238-K255 IonicContact OD1-NZ 3.23Å; D238-K255 PolarHBondContact OD1-NZ 3.33Å; D238-K255 IonicContact OD2-NZ 3.62Å |
| 239 | L | 81 | Confident | 87.5 | Confident | 87 Ų | 87 | 34.3 Ų | 34.3 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -125.7 | 105.2 | 173.7 | -71.4 | 173.8 | 0 | 0 | 0 | 108.4 | S235 V237 G241 M242 | S235-L239 WeakPolarHBondContact CB-O 3.26Å; S235-L239 PolarHBondContact OG-N 2.92Å; S235-L239 PolarHBondContact OG-O 3.39Å; V237-L239 HydrophobicContact CG2-CB 4.25Å; V237-L239 PolarHBondContact O-N 3.02Å; L239-G241 PolarHBondContact O-N 3.2Å; L239-M242 HydrophobicContact CB-CB 3.87Å; L239-M242 HydrophobicContact CB-SD 4.11Å; L239-M242 HydrophobicContact CD1-SD 3.69Å; L239-M242 WeakPolarHBondContact O-CA 3.14Å; L239-M242 WeakPolarHBondContact O-CB 3.3Å; L239-M242 PolarHBondContact O-N 2.91Å |
| 240 | P | 81.8 | Confident | 87.6 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 134.2 | -165.1 | -26.3 | 38 | 0 | 0 | 0 | 113.1 | V16 A18 I19 A232 M242 | V16-P240 HydrophobicContact CB-CG 4.02Å; V16-P240 HydrophobicContact CG1-CB 3.79Å; V16-P240 HydrophobicContact CG1-CG 3.36Å; V16-P240 HydrophobicContact CG2-CG 4.5Å; A18-P240 CarbonylContact C-O 3.55Å; A18-P240 VanDerWaalsContact CA-O 3.32Å; A18-P240 WeakPolarHBondContact CA-O 3.36Å; I19-P240 WeakPolarHBondContact CG1-O 3.47Å; I19-P240 PolarHBondContact N-O 3.39Å; A232-P240 CarbonylContact O-C 3.53Å; P240-M242 PolarHBondContact O-N 3.45Å |
| 241 | G | 85.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 8.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L182 Y183 A232 Y234 L239 | L182-G241 CarbonylContact C-O 3.6Å; L182-G241 WeakPolarHBondContact CA-O 3.33Å; Y183-G241 PolarHBondContact N-O 3.15Å; A232-G241 VanDerWaalsContact O-CA 3.22Å; A232-G241 WeakPolarHBondContact O-CA 3.03Å; A232-G241 PolarHBondContact O-N 3.47Å; Y234-G241 PolarHBondContact O-N 2.88Å; L239-G241 PolarHBondContact O-N 3.2Å |
| 242 | M | 91.8 | Very high | 87.8 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.3 | 170.4 | -160.5 | 170.3 | 172.7 | 0 | 0 | 110.3 | I19 I128 E180 L182 S235 V237 L239 P240 | I19-M242 HydrophobicContact CD1-CB 3.8Å; I19-M242 HydrophobicContact CD1-CG 4.11Å; I19-M242 HydrophobicContact CG1-CB 4.42Å; I128-M242 HydrophobicContact CD1-CE 4.09Å; I128-M242 HydrophobicContact CG1-CE 4.49Å; I128-M242 HydrophobicContact CG2-CE 3.59Å; E180-M242 HydrophobicContact CG-CE 4.2Å; L182-M242 HydrophobicContact CD2-CE 4.46Å; L182-M242 HydrophobicContact CD2-CG 3.77Å; S235-M242 VanDerWaalsContact CA-O 3.29Å; S235-M242 WeakPolarHBondContact CA-O 3.36Å; S235-M242 VanDerWaalsContact CB-O 3.25Å; S235-M242 WeakPolarHBondContact CB-O 3.32Å; S235-M242 PolarHBondContact OG-O 2.98Å; S235-M242 VanDerWaalsContact OG-O 3.11Å; V237-M242 HydrophobicContact CG2-CB 3.76Å; V237-M242 HydrophobicContact CG2-CG 3.73Å; V237-M242 HydrophobicContact CG2-SD 4Å; L239-M242 HydrophobicContact CB-CB 3.87Å; L239-M242 HydrophobicContact CB-SD 4.11Å; L239-M242 HydrophobicContact CD1-SD 3.69Å; L239-M242 WeakPolarHBondContact O-CA 3.14Å; L239-M242 WeakPolarHBondContact O-CB 3.3Å; L239-M242 PolarHBondContact O-N 2.91Å; P240-M242 PolarHBondContact O-N 3.45Å |
| 243 | F | 93.5 | Very high | 87.8 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.7 | 163.6 | -58.9 | -107.8 | 0 | 0 | 0 | 109.1 | E180 L181 Y183 L220 I231 N236 Y245 | E180-F243 CarbonylContact C-O 3.4Å; E180-F243 WeakPolarHBondContact CA-O 3.34Å; L181-F243 HydrophobicContact CB-CB 4.31Å; L181-F243 PolarHBondContact N-O 3.21Å; L181-F243 PolarHBondContact O-N 2.93Å; Y183-F243 HydrophobicContact CD2-CD2 4.12Å; Y183-F243 HydrophobicContact CD2-CE2 4.05Å; Y183-F243 AromaticContact CE2-CD2 3.76Å; Y183-F243 HydrophobicContact CE2-CD2 3.76Å; Y183-F243 AromaticContact CE2-CE2 3.83Å; Y183-F243 HydrophobicContact CE2-CE2 3.83Å; L220-F243 HydrophobicContact CD2-CD1 4.1Å; L220-F243 HydrophobicContact CD2-CD2 4.3Å; L220-F243 HydrophobicContact CD2-CE1 4.24Å; L220-F243 HydrophobicContact CD2-CE2 4.46Å; L220-F243 HydrophobicContact CD2-CG 4.12Å; L220-F243 HydrophobicContact CD2-CZ 4.42Å; I231-F243 HydrophobicContact CG1-CE2 3.85Å; I231-F243 HydrophobicContact CG1-CZ 4.02Å; N236-F243 HydrophobicContact CB-CD1 4.44Å; N236-F243 VanDerWaalsContact OD1-CA 3.3Å; N236-F243 WeakPolarHBondContact OD1-CA 3.31Å; F243-Y245 HydrophobicContact CB-CD2 4.36Å; F243-Y245 HydrophobicContact CB-CE2 3.67Å; F243-Y245 HydrophobicContact CD1-CE2 4.41Å; F243-Y245 HydrophobicContact CG-CE2 4.46Å |
| 244 | L | 94.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.4 | 177 | 179.2 | 70.4 | 0 | 0 | 0 | 108.9 | I128 V129 K132 F133 A179 E180 N236 V237 P254 | I128-L244 HydrophobicContact CG2-CD1 4.31Å; I128-L244 HydrophobicContact CG2-CD2 4.06Å; V129-L244 HydrophobicContact CG2-CD1 4.26Å; K132-L244 HydrophobicContact CB-CD2 3.96Å; K132-L244 HydrophobicContact CG-CD2 4.38Å; F133-L244 HydrophobicContact CD2-CD2 4.11Å; F133-L244 HydrophobicContact CE2-CD2 3.74Å; F133-L244 HydrophobicContact CE2-CG 3.95Å; A179-L244 WeakPolarHBondContact O-CA 3.5Å; E180-L244 HydrophobicContact CG-CD1 3.6Å; N236-L244 PolarHBondContact ND2-O 3.28Å; N236-L244 PolarHBondContact OD1-N 2.94Å; V237-L244 HydrophobicContact CG1-CB 3.57Å; V237-L244 HydrophobicContact CG1-CD2 4.03Å; V237-L244 HydrophobicContact CG1-CG 4.45Å; L244-P254 HydrophobicContact CB-CG 4.47Å; L244-P254 HydrophobicContact CD2-CG 4.16Å; L244-P254 WeakPolarHBondContact O-CD 3.18Å |
| 245 | Y | 94.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.6 | 176.9 | -64.7 | -80.3 | 0 | 0 | 0 | 111.1 | Y178 A179 L181 F210 Y218 L220 N236 F243 I251 V252 D253 | Y178-Y245 CarbonylContact C-O 3.46Å; Y178-Y245 WeakPolarHBondContact CA-O 3.49Å; Y178-Y245 WeakPolarHBondContact CB-O 3.16Å; A179-Y245 PolarHBondContact N-O 2.02Å; A179-Y245 PolarHBondContact O-N 2.85Å; L181-Y245 HydrophobicContact CD1-CD2 4.49Å; F210-Y245 HydrophobicContact CE2-CD1 4.45Å; F210-Y245 AromaticContact CE2-CD2 3.56Å; F210-Y245 HydrophobicContact CE2-CD2 3.56Å; F210-Y245 AromaticContact CE2-CE2 3.9Å; F210-Y245 HydrophobicContact CE2-CE2 3.9Å; F210-Y245 AromaticContact CE2-CG 3.85Å; F210-Y245 HydrophobicContact CE2-CG 3.85Å; F210-Y245 AromaticContact CZ-CD2 3.53Å; F210-Y245 HydrophobicContact CZ-CD2 3.53Å; F210-Y245 HydrophobicContact CZ-CE2 4.19Å; F210-Y245 AromaticContact CZ-CG 3.97Å; F210-Y245 HydrophobicContact CZ-CG 3.97Å; Y218-Y245 HydrophobicContact CD1-CE1 4.47Å; Y218-Y245 HydrophobicContact CE1-CD1 4.28Å; Y218-Y245 AromaticContact CE1-CE1 3.53Å; Y218-Y245 HydrophobicContact CE1-CE1 3.53Å; Y218-Y245 AromaticContact CE1-CZ 3.83Å; Y218-Y245 AromaticContact CZ-CE1 3.65Å; Y218-Y245 WeakPolarHBondContact OH-CE1 3.37Å; L220-Y245 HydrophobicContact CD1-CE2 4.17Å; L220-Y245 HydrophobicContact CG-CE2 4.43Å; N236-Y245 VanDerWaalsContact ND2-CE1 3.31Å; N236-Y245 WeakPolarHBondContact ND2-CE1 3.39Å; F243-Y245 HydrophobicContact CB-CD2 4.36Å; F243-Y245 HydrophobicContact CB-CE2 3.67Å; F243-Y245 HydrophobicContact CD1-CE2 4.41Å; F243-Y245 HydrophobicContact CG-CE2 4.46Å; Y245-I251 HydrophobicContact CD1-CG2 3.99Å; Y245-I251 HydrophobicContact CG-CG2 4.29Å; Y245-V252 WeakPolarHBondContact CA-O 3.19Å; Y245-D253 HydrophobicContact CD1-CB 3.89Å; Y245-D253 HydrophobicContact CE1-CB 3.78Å |
| 246 | R | 93.7 | Very high | 85.7 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 18% | 0.177 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 125.3 | 155.8 | -179.8 | 162.7 | 66.7 | -176.9 | -7.2 | 106.8 | F133 D136 Y178 I251 V252 | F133-R246 HydrophobicContact CE1-CB 4.29Å; F133-R246 HydrophobicContact CZ-CB 4.09Å; D136-R246 IonicContact OD1-NH1 2.69Å; D136-R246 IonicContact OD2-CZ 3.86Å; D136-R246 IonicContact OD2-NH1 3.46Å; D136-R246 PolarHBondContact OD2-NH1 3.24Å; D136-R246 IonicContact OD2-NH2 2.96Å; D136-R246 PolarHBondContact OD2-NH2 2.75Å; Y178-R246 HydrophobicContact CD1-CB 3.94Å; Y178-R246 HydrophobicContact CE1-CB 3.56Å; Y178-R246 HydrophobicContact CE1-CG 3.92Å; R246-I251 WeakPolarHBondContact O-CA 3Å; R246-V252 HydrophobicContact CB-CB 4.31Å; R246-V252 PolarHBondContact N-O 2.84Å; R246-V252 PolarHBondContact O-N 3.44Å; R246-V252 VanDerWaalsContact O-N 3.14Å |
| 247 | I | 94.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -114 | 3.1 | -176.8 | 64.9 | 160.3 | 0 | 0 | 0 | 113.8 | I53 C54 F55 Y56 I93 I170 S177 A179 F210 I251 | I53-I247 HydrophobicContact CG2-CD1 4.09Å; C54-I247 CarbonylContact O-C 3.46Å; F55-I247 CarbonylContact C-O 3.47Å; F55-I247 VanDerWaalsContact CA-O 3.26Å; F55-I247 WeakPolarHBondContact CA-O 3.49Å; F55-I247 HydrophobicContact CD2-CB 4.19Å; F55-I247 HydrophobicContact CD2-CD1 4.16Å; Y56-I247 PolarHBondContact N-O 3.29Å; I93-I247 HydrophobicContact CD1-CD1 4.13Å; I170-I247 HydrophobicContact CG2-CD1 3.94Å; S177-I247 VanDerWaalsContact O-CG1 3.28Å; S177-I247 WeakPolarHBondContact O-CG1 3.27Å; S177-I247 PolarHBondContact O-N 2.8Å; A179-I247 HydrophobicContact CB-CD1 4.37Å; A179-I247 HydrophobicContact CB-CG2 3.64Å; F210-I247 HydrophobicContact CD1-CG2 4.14Å; F210-I247 HydrophobicContact CE1-CG2 3.72Å; F210-I247 HydrophobicContact CZ-CG2 4.18Å; I247-I251 HydrophobicContact CB-CD1 4.14Å; I247-I251 HydrophobicContact CG2-CD1 4.27Å | ||
| 248 | T | 92.6 | Very high | 82.6 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -96.4 | 130.9 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | C54 T175 S177 | C54-T248 HydrophobicContact CB-CG2 3.81Å; C54-T248 WeakPolarHBondContact CB-OG1 3.47Å; C54-T248 WeakPolarHBondContact O-CA 3.46Å; C54-T248 PolarHBondContact O-OG1 2.98Å; T175-T248 WeakPolarHBondContact O-CG2 3.19Å; S177-T248 PolarHBondContact N-OG1 3.1Å |
| 249 | G | 87.5 | Confident | 81.4 | Confident | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 65.7 | -142.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y56 I251 | Y56-G249 WeakPolarHBondContact CA-O 3.19Å; Y56-G249 PolarHBondContact O-N 3.21Å; G249-I251 PolarHBondContact O-N 2.79Å |
| 250 | K | 85.4 | Confident | 79.8 | Confident | 135 Ų | 135 | 41.1 Ų | 41.1 | 59% | 0.587 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -55.9 | 137.2 | 172.6 | -174.5 | -178.1 | 170.9 | -163.3 | 0 | 110.6 | V252 E260 | K250-V252 HydrophobicContact CB-CG2 4.3Å; K250-V252 HydrophobicContact CD-CG2 4.3Å; K250-V252 HydrophobicContact CG-CG2 4.15Å; K250-V252 PolarHBondContact O-N 3.34Å; K250-E260 IonicContact NZ-OE1 2.85Å |
| 251 | I | 91.6 | Very high | 77.8 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | -67.8 | 120.9 | 170 | -50.5 | -56.7 | 0 | 0 | 0 | 108.1 | F55 Y56 F210 Y218 Y245 R246 I247 G249 | F55-I251 HydrophobicContact CE2-CD1 4.37Å; Y56-I251 HydrophobicContact CD1-CD1 4.24Å; Y56-I251 HydrophobicContact CD1-CG1 4.34Å; Y56-I251 HydrophobicContact CD2-CD1 4.47Å; Y56-I251 HydrophobicContact CE1-CD1 3.88Å; Y56-I251 HydrophobicContact CE1-CG1 3.56Å; Y56-I251 HydrophobicContact CE2-CD1 4.13Å; Y56-I251 HydrophobicContact CE2-CG1 4.37Å; Y56-I251 WeakPolarHBondContact OH-CG1 3.35Å; F210-I251 HydrophobicContact CB-CD1 4.16Å; F210-I251 HydrophobicContact CB-CG1 4.17Å; F210-I251 HydrophobicContact CD2-CG1 4.49Å; F210-I251 HydrophobicContact CD2-CG2 3.92Å; F210-I251 HydrophobicContact CE2-CG2 4.12Å; F210-I251 HydrophobicContact CG-CD1 4.27Å; F210-I251 HydrophobicContact CG-CG1 4.43Å; Y218-I251 HydrophobicContact CD1-CG2 4.08Å; Y218-I251 HydrophobicContact CD2-CB 3.76Å; Y218-I251 HydrophobicContact CD2-CG2 3.74Å; Y218-I251 HydrophobicContact CE2-CB 4.49Å; Y218-I251 HydrophobicContact CE2-CG2 4.18Å; Y218-I251 HydrophobicContact CG-CB 3.94Å; Y218-I251 HydrophobicContact CG-CG1 4.41Å; Y218-I251 HydrophobicContact CG-CG2 3.7Å; Y245-I251 HydrophobicContact CD1-CG2 3.99Å; Y245-I251 HydrophobicContact CG-CG2 4.29Å; R246-I251 WeakPolarHBondContact O-CA 3Å; I247-I251 HydrophobicContact CB-CD1 4.14Å; I247-I251 HydrophobicContact CG2-CD1 4.27Å; G249-I251 PolarHBondContact O-N 2.79Å | ||
| 252 | V | 86.6 | Confident | 75.6 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 135.6 | -176.8 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | F133 Y245 R246 K250 M256 A257 | F133-V252 HydrophobicContact CE1-CG1 4.38Å; Y245-V252 WeakPolarHBondContact CA-O 3.19Å; R246-V252 HydrophobicContact CB-CB 4.31Å; R246-V252 PolarHBondContact N-O 2.84Å; R246-V252 PolarHBondContact O-N 3.44Å; R246-V252 VanDerWaalsContact O-N 3.14Å; K250-V252 HydrophobicContact CB-CG2 4.3Å; K250-V252 HydrophobicContact CD-CG2 4.3Å; K250-V252 HydrophobicContact CG-CG2 4.15Å; K250-V252 PolarHBondContact O-N 3.34Å; V252-M256 HydrophobicContact CG1-CB 4.13Å; V252-A257 HydrophobicContact CG1-CB 4.13Å |
| 253 | D | 86.4 | Confident | 72.8 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | trans | -96.3 | 161.3 | 171.2 | 82.1 | 52.9 | 0 | 0 | 0 | 112.3 | N236 Y245 K255 M256 A257 | N236-D253 HydrophobicContact CB-CB 4.48Å; N236-D253 WeakPolarHBondContact ND2-CB 3.35Å; Y245-D253 HydrophobicContact CD1-CB 3.89Å; Y245-D253 HydrophobicContact CE1-CB 3.78Å; D253-K255 PolarHBondContact O-N 2.04Å; D253-K255 WeakPolarHBondContact OD1-CA 3.45Å; D253-K255 WeakPolarHBondContact OD1-CB 3.41Å; D253-K255 PolarHBondContact OD1-N 3.39Å; D253-M256 PolarHBondContact O-N 2.8Å; D253-M256 PolarHBondContact OD1-N 3.04Å; D253-M256 VanDerWaalsContact OD1-N 3.11Å; D253-A257 PolarHBondContact O-N 2.82Å; D253-A257 VanDerWaalsContact O-N 3.17Å | ||
| 254 | P | 78.9 | Confident | 69.8 | Low | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -23.6 | -174.8 | -27.1 | 37.9 | 0 | 0 | 0 | 115.2 | K132 F133 V237 L244 | K132-P254 HydrophobicContact CB-CB 4.06Å; K132-P254 HydrophobicContact CB-CG 4.12Å; K132-P254 WeakPolarHBondContact O-CB 3.28Å; F133-P254 HydrophobicContact CD2-CG 4.28Å; F133-P254 HydrophobicContact CE1-CB 4.45Å; F133-P254 HydrophobicContact CE1-CG 4.24Å; F133-P254 HydrophobicContact CE2-CG 3.78Å; F133-P254 HydrophobicContact CZ-CB 4.42Å; F133-P254 HydrophobicContact CZ-CG 3.74Å; V237-P254 HydrophobicContact CG1-CG 3.77Å; L244-P254 HydrophobicContact CB-CG 4.47Å; L244-P254 HydrophobicContact CD2-CG 4.16Å; L244-P254 WeakPolarHBondContact O-CD 3.18Å |
| 255 | K | 69.1 | Low | 66.9 | Low | 106 Ų | 106 | 76.5 Ų | 76.5 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -85.4 | -27.7 | -178.5 | -62.3 | -176 | 175.5 | -178.3 | 0 | 111.8 | N236 D238 D253 | N236-K255 VanDerWaalsContact O-CE 3.26Å; N236-K255 WeakPolarHBondContact O-CE 3.39Å; D238-K255 IonicContact OD1-NZ 3.23Å; D238-K255 PolarHBondContact OD1-NZ 3.33Å; D238-K255 IonicContact OD2-NZ 3.62Å; D253-K255 PolarHBondContact O-N 2.04Å; D253-K255 WeakPolarHBondContact OD1-CA 3.45Å; D253-K255 WeakPolarHBondContact OD1-CB 3.41Å; D253-K255 PolarHBondContact OD1-N 3.39Å |
| 256 | M | 61.9 | Low | 64 | Low | 90 Ų | 90 | 84.2 Ų | 84.2 | 44% | 0.443 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.8 | -35.3 | 166.7 | -70.6 | -172.7 | 160.1 | 0 | 0 | 112.5 | V252 D253 D258 E259 | V252-M256 HydrophobicContact CG1-CB 4.13Å; D253-M256 PolarHBondContact O-N 2.8Å; D253-M256 PolarHBondContact OD1-N 3.04Å; D253-M256 VanDerWaalsContact OD1-N 3.11Å; M256-D258 VanDerWaalsContact C-N 3.32Å; M256-D258 PolarHBondContact O-N 2.81Å; M256-E259 PolarHBondContact O-N 2.84Å |
| 257 | A | 57.7 | Low | 60.9 | Low | 4 Ų | 4 | 89.9 Ų | 89.9 | 3% | 0.033 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68 | -27 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F133 V252 D253 E259 | F133-A257 HydrophobicContact CD1-CB 3.5Å; F133-A257 HydrophobicContact CE1-CB 3.86Å; V252-A257 HydrophobicContact CG1-CB 4.13Å; D253-A257 PolarHBondContact O-N 2.82Å; D253-A257 VanDerWaalsContact O-N 3.17Å; A257-E259 VanDerWaalsContact C-N 3.29Å; A257-E259 PolarHBondContact O-N 3.35Å |
| 258 | D | 51.4 | Low | 57.8 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.7 | 177.4 | -72.3 | -11.1 | 0 | 0 | 0 | 113.1 | H134 M256 | H134-D258 IonicContact CD2-OD2 2.85Å; H134-D258 PolarHBondContact CD2-OD2 3.01Å; M256-D258 VanDerWaalsContact C-N 3.32Å; M256-D258 PolarHBondContact O-N 2.81Å |
| 259 | E | 48.8 | Very low | 54.9 | Low | 159 Ų | 159 | 107.5 Ų | 107.5 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -14.1 | 178.8 | -67.6 | -166.6 | 150.9 | 0 | 0 | 114.3 | M256 A257 | M256-E259 PolarHBondContact O-N 2.84Å; A257-E259 VanDerWaalsContact C-N 3.29Å; A257-E259 PolarHBondContact O-N 3.35Å |
| 260 | E | 46.9 | Very low | 52 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -81.4 | -11.5 | -176.6 | -67 | -177.4 | 153.9 | 0 | 0 | 113.4 | K250 Y262 | K250-E260 IonicContact NZ-OE1 2.85Å; E260-Y262 PolarHBondContact O-N 3.31Å |
| 261 | D | 40.6 | Very low | 49.2 | Very low | 84 Ų | 84 | 119 Ų | 119 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | 19.9 | -174.6 | -79.4 | -63.6 | 0 | 0 | 0 | 116.9 | V135 | V135-D261 WeakPolarHBondContact CB-OD2 3.45Å; V135-D261 WeakPolarHBondContact CG1-OD2 3.08Å; V135-D261 VanDerWaalsContact CG2-OD2 3.26Å; V135-D261 WeakPolarHBondContact CG2-OD2 3.29Å |
| 262 | Y | 39.6 | Very low | 46.1 | Very low | 211 Ų | 211 | 126.7 Ų | 126.7 | 83% | 0.827 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 4.6 | -177.5 | -83.1 | -80.7 | 0 | 0 | 0 | 116.4 | E260 | E260-Y262 PolarHBondContact O-N 3.31Š|
| 263 | E | 33.7 | Very low | 43.4 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -122.2 | 53.6 | 172.4 | -66.1 | -159.5 | 144.3 | 0 | 0 | 112.9 | K448 | E263-K448 IonicContact OE1-NZ 2.66Å; E263-K448 IonicContact OE2-NZ 3.49Å; E263-K448 PolarHBondContact OE2-NZ 3.21Å; E263-K448 VanDerWaalsContact OE2-NZ 3.11Å | ||
| 264 | D | 30.1 | Very low | 40.4 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -120.5 | 53.9 | 177.9 | -159.7 | 26.6 | 0 | 0 | 0 | 114.6 | ||||
| 265 | E | 32.9 | Very low | 37.9 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -142.8 | 75 | 159.9 | -82.6 | -159.1 | 160 | 0 | 0 | 110.3 | ||||
| 266 | N | 33.1 | Very low | 35.9 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -173.3 | 86.9 | 153.3 | -96 | -59.1 | 0 | 0 | 0 | 112.5 | E268 | N266-E268 PolarHBondContact O-N 2.64Š| ||
| 267 | D | 29 | Very low | 34.3 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -65.8 | 109.8 | 166.3 | -74.2 | -63.7 | 0 | 0 | 0 | 111.9 | ||||
| 268 | E | 29.7 | Very low | 32.8 | Very low | 175 Ų | 175 | 162.7 Ų | 162.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 169.7 | 101.9 | 142.5 | -99.5 | -178.4 | 173.6 | 0 | 0 | 110.2 | N266 | N266-E268 PolarHBondContact O-N 2.64Š| ||
| 269 | Y | 31.3 | Very low | 31.8 | Very low | 230 Ų | 230 | 168.4 Ų | 168.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 168.2 | 39.9 | 145.2 | -88.7 | -53.8 | 0 | 0 | 0 | 115.6 | ||||
| 270 | E | 26.3 | Very low | 31 | Very low | 196 Ų | 196 | 168 Ų | 168 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -99.7 | 107 | 163.4 | -75.2 | -157 | 144.4 | 0 | 0 | 111.8 | ||||
| 271 | E | 27 | Very low | 30 | Very low | 199 Ų | 199 | 169.2 Ų | 169.2 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -168 | 49.6 | 153.2 | -128.1 | -178.5 | -154.2 | 0 | 0 | 115.1 | ||||
| 272 | E | 26.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 171.4 Ų | 171.4 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -152.1 | 157.6 | 162.5 | -133.6 | 164.6 | -159.4 | 0 | 0 | 113.1 | ||||
| 273 | Y | 30.2 | Very low | 28.7 | Very low | 206 Ų | 206 | 164.8 Ų | 164.8 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 72.3 | 53.2 | 179.1 | -59.6 | -72.3 | 0 | 0 | 0 | 119.6 | ||||
| 274 | M | 24.4 | Very low | 28.4 | Very low | 170 Ų | 170 | 162.7 Ų | 162.7 | 84% | 0.837 | 82% | 0.82 | S | S | * | * | trans | -86.1 | 145.6 | 141.9 | -82.7 | -90.2 | -76.8 | 0 | 0 | 110.3 | ||||
| 275 | T | 24.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 162 Ų | 162 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | 67.3 | 145.2 | 175.3 | 70.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 276 | E | 28.3 | Very low | 28 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | cis | -133.7 | 159.5 | 21.3 | -68.4 | 177.9 | 131 | 0 | 0 | 113.7 | ||||
| 277 | S | 27 | Very low | 27.8 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -133.3 | 159.3 | 165.6 | 65.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 278 | E | 26.2 | Very low | 27.7 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 92.2 | 143.5 | -161.9 | -58.6 | 175.3 | -178.3 | 0 | 0 | 111.2 | ||||
| 279 | E | 31.1 | Very low | 27.7 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | cis | -111.5 | 140 | 17.7 | -60.7 | -174.7 | 122.8 | 0 | 0 | 115.5 | ||||
| 280 | L | 31.6 | Very low | 27.5 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 148.1 | 156.6 | -175.4 | 89.4 | 0 | 0 | 0 | 108.6 | ||||
| 281 | N | 26.7 | Very low | 27.7 | Very low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 175.1 | 129.3 | 137 | -94.8 | -46.9 | 0 | 0 | 0 | 115.9 | ||||
| 282 | V | 26.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | trans | 67.3 | 129.7 | 131.3 | 170 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 283 | A | 26.6 | Very low | 27.9 | Very low | 72 Ų | 72 | 140 Ų | 140 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | cis | -171.3 | 154.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 284 | T | 26.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 61.5 | 128 | 138.1 | 58.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 285 | N | 28.4 | Very low | 28 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | 75.1 | 148.3 | 127.7 | -70.1 | 39.3 | 0 | 0 | 0 | 121.1 | |||||
| 286 | S | 26.1 | Very low | 28.2 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 51% | 0.51 | 73% | 0.73 | S | S | . | * | cis | -173.1 | 169.7 | -18.3 | 51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 287 | D | 28.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 65.8 | 151.7 | 155.8 | -43.3 | -40.8 | 0 | 0 | 0 | 118.1 | ||||
| 288 | Q | 27.7 | Very low | 28.6 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 74% | 0.738 | S | S | * | * | cis | -166 | 168.2 | -16.9 | -110.9 | 179.6 | -56.8 | 0 | 0 | 107.9 | ||||
| 289 | E | 29.3 | Very low | 28.9 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | trans | 21.1 | 145.7 | 140.8 | -66.4 | 143.1 | -139.1 | 0 | 0 | 121 | ||||
| 290 | D | 28.4 | Very low | 28.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -166.9 | 166.4 | 10 | -123.4 | -17 | 0 | 0 | 0 | 114.3 | ||||
| 291 | E | 30.6 | Very low | 28.8 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 37 | 135.6 | 148 | -73.3 | -160.1 | 148.2 | 0 | 0 | 126.1 | ||||
| 292 | T | 29.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | 90.1 | 124.8 | 138 | 55 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 293 | D | 28.6 | Very low | 29 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 71.7 | 113.2 | 131.7 | -71.4 | 18 | 0 | 0 | 0 | 124.7 | ||||
| 294 | N | 28.5 | Very low | 29.1 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | trans | 87.6 | 133.5 | 130.5 | -76.1 | -44.3 | 0 | 0 | 0 | 123.3 | ||||
| 295 | E | 28.3 | Very low | 29.3 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | 67.5 | 108.3 | 146.1 | -66.8 | -179.4 | -175.5 | 0 | 0 | 121.2 | ||||
| 296 | N | 28.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 42.7 | 111.6 | 132.6 | -47.7 | -49.6 | 0 | 0 | 0 | 120.2 | ||||
| 297 | E | 27.8 | Very low | 29.9 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | 173.6 | 140.5 | 116.5 | -95.1 | 174.5 | -178.7 | 0 | 0 | 111.5 | |||||
| 298 | E | 34.9 | Very low | 30.7 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -80.2 | 170.1 | 159.9 | -47.4 | 179.6 | 122.5 | 0 | 0 | 109.2 | ||||
| 299 | P | 33.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | cis | -143.6 | -169.4 | 8.5 | 41.7 | -21 | 0 | 0 | 0 | 116.5 | ||||
| 300 | D | 27.8 | Very low | 32.8 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 86 | 166.5 | 145.9 | -149.3 | 11.5 | 0 | 0 | 0 | 120.3 | ||||
| 301 | M | 31.5 | Very low | 33.9 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -78.5 | 146.8 | -148.2 | -70.7 | 171.9 | -79.9 | 0 | 0 | 118.7 | ||||
| 302 | S | 29.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 71.7 | 119.9 | 139.1 | 70.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 303 | L | 28.3 | Very low | 35.7 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | 174.4 | 166.7 | 121.7 | -93.7 | 161.4 | 0 | 0 | 0 | 111.2 | |||||
| 304 | L | 29.6 | Very low | 36.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | 75.9 | 143.9 | 170.9 | -47.8 | 176.2 | 0 | 0 | 0 | 117.6 | ||||
| 305 | T | 30.7 | Very low | 38.3 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | -160.8 | 145.2 | -70 | 24.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 306 | P | 30.4 | Very low | 39.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 73% | 0.725 | S | S | * | * | trans | -79.4 | 141.5 | -178.6 | 32.7 | -35.4 | 0 | 0 | 0 | 112.8 | ||||
| 307 | S | 36.2 | Very low | 41.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -156.1 | 56.3 | -172.8 | 54.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 308 | R | 46 | Very low | 43 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | trans | -151.4 | 16.5 | 165.6 | -117.3 | 175.4 | -147.4 | -158.9 | 8.8 | 117.9 | ||||
| 309 | C | 49.2 | Very low | 43.9 | Very low | 53 Ų | 53 | 120.9 Ų | 120.9 | 36% | 0.358 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -77.2 | 140.8 | 163.1 | -49 | 0 | 0 | 0 | 0 | 109.3 | C329 | C309-C329 WeakPolarHBondContact CA-SG 3.39Å; C309-C329 HydrophobicContact CB-CB 3.88Å; C309-C329 WeakPolarHBondContact CB-SG 3.34Å; C309-C329 WeakPolarHBondContact SG-CA 3.39Å; C309-C329 WeakPolarHBondContact SG-CB 3.28Å; C309-C329 CovalentContact SG-SG 2.05Å; C309-C329 PolarHBondContact SG-SG 3.37Å |
| 310 | P | 50.6 | Low | 45.2 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | trans | -62.4 | 136 | 178.8 | -23.6 | 34.4 | 0 | 0 | 0 | 113 | E312 | P310-E312 PolarHBondContact O-N 3.5Š| ||
| 311 | D | 51 | Low | 47.2 | Very low | 175 Ų | 175 | 112.4 Ų | 112.4 | 94% | 0.936 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -70.7 | 10.6 | 179.9 | -86.2 | -47.8 | 0 | 0 | 0 | 114.7 | ||
| 312 | E | 48.8 | Very low | 49 | Very low | 163 Ų | 163 | 109.4 Ų | 109.4 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.4 | 130.4 | 174.5 | -65.6 | -156 | 142.4 | 0 | 0 | 110.9 | P310 T314 | P310-E312 PolarHBondContact O-N 3.5Å; E312-T314 PolarHBondContact O-N 2.65Å; E312-T314 VanDerWaalsContact O-N 3.14Å |
| 313 | P | 49.6 | Very low | 50.7 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -65.6 | 118.4 | -178.7 | 26.8 | -33.8 | 0 | 0 | 0 | 110.2 | V315 | P313-V315 VanDerWaalsContact C-N 3.25Å; P313-V315 PolarHBondContact O-N 3.27Å | ||
| 314 | T | 53 | Low | 52.1 | Low | 61 Ų | 61 | 109.8 Ų | 109.8 | 37% | 0.374 | 62% | 0.62 | S | S | . | * | trans | -71.8 | 73.7 | -174.9 | -22.4 | 0 | 0 | 0 | 0 | 111.3 | E312 C316 | E312-T314 PolarHBondContact O-N 2.65Å; E312-T314 VanDerWaalsContact O-N 3.14Å; T314-C316 PolarHBondContact O-N 3.09Å; T314-C316 VanDerWaalsContact O-N 3.14Å | ||
| 315 | V | 60.1 | Low | 53.9 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 79% | 0.788 | 60% | 0.598 | S | S | * | * | trans | -80.2 | 93 | 179.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | P313 | P313-V315 VanDerWaalsContact C-N 3.25Å; P313-V315 PolarHBondContact O-N 3.27Å | ||
| 316 | C | 61.8 | Low | 55 | Low | 27 Ų | 27 | 105.8 Ų | 105.8 | 18% | 0.182 | 61% | 0.605 | C | S | . | * | trans | -71.5 | 155.7 | 173.6 | -40.9 | 0 | 0 | 0 | 0 | 111.7 | T314 C320 V322 C332 | T314-C316 PolarHBondContact O-N 3.09Å; T314-C316 VanDerWaalsContact O-N 3.14Å; C316-C320 HydrophobicContact CB-CB 3.58Å; C316-V322 VanDerWaalsContact SG-CG2 3.52Å; C316-C332 WeakPolarHBondContact CA-SG 3.38Å; C316-C332 HydrophobicContact CB-CB 3.7Å; C316-C332 WeakPolarHBondContact CB-SG 3.05Å; C316-C332 WeakPolarHBondContact SG-CA 3.44Å; C316-C332 WeakPolarHBondContact SG-CB 3.24Å; C316-C332 CovalentContact SG-SG 2.03Å; C316-C332 PolarHBondContact SG-SG 2.78Å | ||
| 317 | A | 59.2 | Low | 56 | Low | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 60% | 0.599 | S | S | . | * | trans | -65.9 | 156.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E319 C320 | A317-E319 HydrophobicContact CB-CG 4.23Å; A317-E319 PolarHBondContact O-N 2.57Å; A317-E319 VanDerWaalsContact O-N 3.1Å; A317-C320 VanDerWaalsContact O-CB 3.24Å; A317-C320 WeakPolarHBondContact O-CB 3.28Å; A317-C320 PolarHBondContact O-N 3.3Å; A317-C320 PolarHBondContact O-SG 3.3Å | ||
| 318 | P | 62 | Low | 57 | Low | 136 Ų | 136 | 103.2 Ų | 103.2 | 88% | 0.883 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -16.6 | -173.4 | 23.3 | -31.2 | 0 | 0 | 0 | 114.5 | C320 | P318-C320 VanDerWaalsContact C-N 3.27Å; P318-C320 PolarHBondContact O-N 2.8Å |
| 319 | E | 52 | Low | 57.9 | Low | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | 14.2 | 168.6 | 58.7 | -89.4 | -157.2 | 0 | 0 | 114.7 | A317 D335 | A317-E319 HydrophobicContact CB-CG 4.23Å; A317-E319 PolarHBondContact O-N 2.57Å; A317-E319 VanDerWaalsContact O-N 3.1Å; E319-D335 PolarHBondContact O-N 3.22Å; E319-D335 VanDerWaalsContact O-N 3.16Å |
| 320 | C | 62 | Low | 58.8 | Low | 25 Ų | 25 | 93.3 Ų | 93.3 | 17% | 0.169 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.6 | -174.1 | -45 | 0 | 0 | 0 | 0 | 113.1 | C316 A317 P318 V333 C334 | C316-C320 HydrophobicContact CB-CB 3.58Å; A317-C320 VanDerWaalsContact O-CB 3.24Å; A317-C320 WeakPolarHBondContact O-CB 3.28Å; A317-C320 PolarHBondContact O-N 3.3Å; A317-C320 PolarHBondContact O-SG 3.3Å; P318-C320 VanDerWaalsContact C-N 3.27Å; P318-C320 PolarHBondContact O-N 2.8Å; C320-V333 CarbonylContact C-O 3.54Å; C320-V333 VanDerWaalsContact CA-O 3.24Å; C320-V333 WeakPolarHBondContact CA-O 2.91Å; C320-V333 WeakPolarHBondContact CB-O 3.45Å; C320-C334 HydrophobicContact CB-CB 3.88Å; C320-C334 WeakPolarHBondContact CB-SG 3.44Å; C320-C334 WeakPolarHBondContact SG-CA 3.37Å; C320-C334 WeakPolarHBondContact SG-CB 3.27Å; C320-C334 CovalentContact SG-SG 2.03Å; C320-C334 PolarHBondContact SG-SG 2.94Å |
| 321 | A | 69.8 | Low | 59.7 | Low | 56 Ų | 56 | 92.4 Ų | 92.4 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R323 V333 | A321-R323 PolarHBondContact O-N 2.85Å; A321-V333 PolarHBondContact N-O 2.83Å; A321-V333 PolarHBondContact O-N 2.87Å |
| 322 | V | 69.8 | Low | 60.7 | Low | 87 Ų | 87 | 86.2 Ų | 86.2 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124 | 164.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | C316 P330 E331 | C316-V322 VanDerWaalsContact SG-CG2 3.52Å; V322-P330 HydrophobicContact CG1-CB 3.71Å; V322-E331 CarbonylContact C-O 3.52Å; V322-E331 VanDerWaalsContact CA-O 3.29Å; V322-E331 WeakPolarHBondContact CA-O 3.4Å |
| 323 | R | 65.1 | Low | 61.6 | Low | 170 Ų | 170 | 80.7 Ų | 80.7 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 158.8 | 164.8 | -72 | -162.1 | 175.2 | -158.2 | 0.6 | 110.4 | A321 P330 E331 V333 | A321-R323 PolarHBondContact O-N 2.85Å; R323-P330 CarbonylContact O-C 3.57Å; R323-P330 WeakPolarHBondContact O-CA 3.36Å; R323-E331 PolarHBondContact N-O 3.31Å; R323-E331 PolarHBondContact O-N 2.8Å; R323-V333 HydrophobicContact CB-CG2 3.97Å; R323-V333 HydrophobicContact CG-CG2 3.97Å |
| 324 | T | 58 | Low | 62.1 | Low | 105 Ų | 105 | 78.4 Ų | 78.4 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.7 | 164.6 | 31.6 | 0 | 0 | 0 | 0 | 110 | C329 | T324-C329 WeakPolarHBondContact CA-O 3.38Å |
| 325 | N | 66.8 | Low | 61.9 | Low | 62 Ų | 62 | 81.9 Ų | 81.9 | 33% | 0.332 | 49% | 0.489 | S | S | . | . | trans | -77.1 | 179.5 | 171.4 | 66.3 | 19.9 | 0 | 0 | 0 | 111.9 | N327 G328 C329 | N325-N327 PolarHBondContact O-N 3.37Å; N325-N327 PolarHBondContact OD1-N 2.89Å; N325-N327 VanDerWaalsContact OD1-N 3.16Å; N325-G328 PolarHBondContact O-N 2.84Å; N325-G328 PolarHBondContact OD1-N 3.45Å; N325-C329 PolarHBondContact N-O 3.14Å; N325-C329 VanDerWaalsContact N-O 3.09Å; N325-C329 PolarHBondContact OD1-N 3.46Å; N325-C329 VanDerWaalsContact OD1-N 3.11Å | ||
| 326 | S | 53.1 | Low | 60.9 | Low | 116 Ų | 116 | 84.8 Ų | 84.8 | 81% | 0.811 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.9 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 327 | N | 51.4 | Low | 59.5 | Low | 136 Ų | 136 | 87.3 Ų | 87.3 | 73% | 0.727 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 7.8 | -176.7 | -58.4 | -4.1 | 0 | 0 | 0 | 112.2 | N325 C329 | N325-N327 PolarHBondContact O-N 3.37Å; N325-N327 PolarHBondContact OD1-N 2.89Å; N325-N327 VanDerWaalsContact OD1-N 3.16Å; N327-C329 PolarHBondContact O-N 2.79Å |
| 328 | G | 57.7 | Low | 58.1 | Low | 49 Ų | 49 | 93.4 Ų | 93.4 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | S | Bend | trans | 78.5 | 9.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | N325 | N325-G328 PolarHBondContact O-N 2.84Å; N325-G328 PolarHBondContact OD1-N 3.45Å |
| 329 | C | 64.5 | Low | 56.5 | Low | 24 Ų | 24 | 90.7 Ų | 90.7 | 16% | 0.162 | 52% | 0.519 | C | S | . | . | trans | -90.6 | 146.4 | 177.7 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | C309 T324 N325 N327 | C309-C329 WeakPolarHBondContact CA-SG 3.39Å; C309-C329 HydrophobicContact CB-CB 3.88Å; C309-C329 WeakPolarHBondContact CB-SG 3.34Å; C309-C329 WeakPolarHBondContact SG-CA 3.39Å; C309-C329 WeakPolarHBondContact SG-CB 3.28Å; C309-C329 CovalentContact SG-SG 2.05Å; C309-C329 PolarHBondContact SG-SG 3.37Å; T324-C329 WeakPolarHBondContact CA-O 3.38Å; N325-C329 PolarHBondContact N-O 3.14Å; N325-C329 VanDerWaalsContact N-O 3.09Å; N325-C329 PolarHBondContact OD1-N 3.46Å; N325-C329 VanDerWaalsContact OD1-N 3.11Å; N327-C329 PolarHBondContact O-N 2.79Å | ||
| 330 | P | 68.4 | Low | 55.3 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.1 | 179.4 | 30.3 | -34.6 | 0 | 0 | 0 | 112.6 | V322 R323 | V322-P330 HydrophobicContact CG1-CB 3.71Å; R323-P330 CarbonylContact O-C 3.57Å; R323-P330 WeakPolarHBondContact O-CA 3.36Å |
| 331 | E | 69.6 | Low | 53.9 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.5 | -174.3 | -178.8 | -172.3 | 117.4 | 0 | 0 | 110 | V322 R323 V333 | V322-E331 CarbonylContact C-O 3.52Å; V322-E331 VanDerWaalsContact CA-O 3.29Å; V322-E331 WeakPolarHBondContact CA-O 3.4Å; R323-E331 PolarHBondContact N-O 3.31Å; R323-E331 PolarHBondContact O-N 2.8Å; E331-V333 PolarHBondContact O-N 3.32Å |
| 332 | C | 71.8 | Confident | 51.9 | Low | 45 Ų | 45 | 105 Ų | 105 | 30% | 0.304 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 95.5 | 177 | -71 | 0 | 0 | 0 | 0 | 112 | C316 C334 | C316-C332 WeakPolarHBondContact CA-SG 3.38Å; C316-C332 HydrophobicContact CB-CB 3.7Å; C316-C332 WeakPolarHBondContact CB-SG 3.05Å; C316-C332 WeakPolarHBondContact SG-CA 3.44Å; C316-C332 WeakPolarHBondContact SG-CB 3.24Å; C316-C332 CovalentContact SG-SG 2.03Å; C316-C332 PolarHBondContact SG-SG 2.78Å; C332-C334 PolarHBondContact O-N 3.19Å |
| 333 | V | 67.8 | Low | 49.8 | Very low | 47 Ų | 47 | 106.2 Ų | 106.2 | 29% | 0.285 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 105.7 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | C320 A321 R323 E331 | C320-V333 CarbonylContact C-O 3.54Å; C320-V333 VanDerWaalsContact CA-O 3.24Å; C320-V333 WeakPolarHBondContact CA-O 2.91Å; C320-V333 WeakPolarHBondContact CB-O 3.45Å; A321-V333 PolarHBondContact N-O 2.83Å; A321-V333 PolarHBondContact O-N 2.87Å; R323-V333 HydrophobicContact CB-CG2 3.97Å; R323-V333 HydrophobicContact CG-CG2 3.97Å; E331-V333 PolarHBondContact O-N 3.32Å |
| 334 | C | 59.6 | Low | 47.9 | Very low | 63 Ų | 63 | 106.3 Ų | 106.3 | 43% | 0.426 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 110 | -175.5 | -73.5 | 0 | 0 | 0 | 0 | 112.4 | C320 C332 K336 | C320-C334 HydrophobicContact CB-CB 3.88Å; C320-C334 WeakPolarHBondContact CB-SG 3.44Å; C320-C334 WeakPolarHBondContact SG-CA 3.37Å; C320-C334 WeakPolarHBondContact SG-CB 3.27Å; C320-C334 CovalentContact SG-SG 2.03Å; C320-C334 PolarHBondContact SG-SG 2.94Å; C332-C334 PolarHBondContact O-N 3.19Å; C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 2.89Å |
| 335 | D | 48.7 | Very low | 46.6 | Very low | 135 Ų | 135 | 109.1 Ų | 109.1 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | trans | -74.9 | 81.3 | 173 | -78 | -25 | 0 | 0 | 0 | 109.8 | E319 A337 | E319-D335 PolarHBondContact O-N 3.22Å; E319-D335 VanDerWaalsContact O-N 3.16Å; D335-A337 PolarHBondContact O-N 2.8Å; D335-A337 VanDerWaalsContact O-N 3.1Å | ||
| 336 | K | 40.8 | Very low | 44.7 | Very low | 191 Ų | 191 | 111.8 Ų | 111.8 | 83% | 0.83 | 62% | 0.615 | S | S | * | * | trans | -67.8 | 110.2 | 172 | -93.1 | -173.6 | 175.7 | 175.5 | 0 | 110.6 | C334 | C334-K336 VanDerWaalsContact C-N 3.28Å; C334-K336 PolarHBondContact O-N 2.89Å | ||
| 337 | A | 31.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | trans | -50.6 | 161.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D335 | D335-A337 PolarHBondContact O-N 2.8Å; D335-A337 VanDerWaalsContact O-N 3.1Å | ||
| 338 | E | 30.1 | Very low | 42.5 | Very low | 170 Ų | 170 | 111.3 Ų | 111.3 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | cis | -141.5 | 134.8 | 36.9 | -65 | -175.4 | 116.9 | 0 | 0 | 112.9 | ||||
| 339 | S | 28.1 | Very low | 41.2 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | 77 | 140.6 | 67.1 | 116.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 340 | K | 26.6 | Very low | 39.6 | Very low | 167 Ų | 167 | 122 Ų | 122 | 73% | 0.726 | 65% | 0.649 | S | S | * | * | cis | -167.1 | 145.9 | 15.7 | -114.5 | 158.3 | -147.5 | 112.7 | 0 | 110.2 | ||||
| 341 | E | 31.9 | Very low | 38.2 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | trans | 157.6 | 145.5 | 139.6 | -91.9 | -172.7 | -171.8 | 0 | 0 | 110.7 | ||||
| 342 | E | 27.4 | Very low | 36.8 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | cis | -160.6 | 145.6 | -42.4 | -130 | -168.5 | -152.8 | 0 | 0 | 111.3 | ||||
| 343 | N | 26.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | trans | 64.8 | 130.1 | 144.9 | -84.7 | -41.8 | 0 | 0 | 0 | 124.2 | ||||
| 344 | M | 24.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | 90 | 143.8 | 145.8 | -64.6 | 175.2 | -153.2 | 0 | 0 | 122.4 | ||||
| 345 | L | 31.4 | Very low | 34.2 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -51.2 | 160.9 | 169.9 | -61.7 | 141.8 | 0 | 0 | 0 | 113.5 | ||||
| 346 | P | 27.6 | Very low | 34.2 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | cis | -133.7 | -124.9 | 17.7 | 42.1 | -22.1 | 0 | 0 | 0 | 112.7 | ||||
| 347 | T | 28.5 | Very low | 34.9 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.693 | 69% | 0.687 | S | S | * | * | trans | -67.3 | 176.6 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 348 | V | 28.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 79% | 0.788 | 67% | 0.669 | S | S | * | * | trans | 77.6 | 151.7 | 167.2 | -149.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 349 | P | 31.7 | Very low | 37.4 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | -123.2 | -172.4 | -61.5 | 41.9 | -27.6 | 0 | 0 | 0 | 113.3 | |||||
| 350 | W | 30.8 | Very low | 39 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 69% | 0.693 | 65% | 0.647 | S | S | * | * | trans | -42.8 | 146 | 160.5 | -92.3 | 36.7 | 0 | 0 | 0 | 114.5 | P352 E870 | W350-P352 WeakPolarHBondContact O-CD 3.06Å; W350-E870 VanDerWaalsContact CE2-OE1 3.3Å; W350-E870 WeakPolarHBondContact CZ2-OE1 3.29Å; W350-E870 VanDerWaalsContact NE1-CD 3.34Å; W350-E870 PolarHBondContact NE1-OE1 2.93Å; W350-E870 PolarHBondContact NE1-OE2 2.74Å | ||
| 351 | C | 38.6 | Very low | 40.6 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | trans | -103.1 | 102.6 | 157.5 | -96.6 | 0 | 0 | 0 | 0 | 110.3 | C372 | C351-C372 HydrophobicContact CB-CB 4.16Å; C351-C372 WeakPolarHBondContact CB-SG 3.16Å; C351-C372 WeakPolarHBondContact SG-CB 3.15Å; C351-C372 CovalentContact SG-SG 2.04Å; C351-C372 PolarHBondContact SG-SG 2.88Å | ||
| 352 | P | 40.2 | Very low | 41.8 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | trans | -84.1 | 150 | 174.2 | 33.5 | -34.2 | 0 | 0 | 0 | 112.5 | W350 R374 | W350-P352 WeakPolarHBondContact O-CD 3.06Å; P352-R374 PolarHBondContact O-NH2 3.13Å | ||
| 353 | D | 43.7 | Very low | 43.4 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 69% | 0.69 | 62% | 0.624 | S | S | * | * | trans | 59.9 | 88.2 | 167.9 | -45.3 | -37.2 | 0 | 0 | 0 | 116.4 | ||||
| 354 | D | 51.8 | Low | 45.3 | Very low | 80 Ų | 80 | 109 Ų | 109 | 43% | 0.428 | 60% | 0.603 | S | S | . | * | trans | -112.3 | 99.9 | 146.5 | -179 | 16.4 | 0 | 0 | 0 | 110.4 | Y356 | D354-Y356 VanDerWaalsContact C-N 3.28Å; D354-Y356 PolarHBondContact O-N 2.72Å; D354-Y356 PolarHBondContact OD1-N 3.21Å | ||
| 355 | P | 47.8 | Very low | 47.3 | Very low | 99 Ų | 99 | 103.8 Ų | 103.8 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -4.9 | 177.4 | -17.4 | 32.3 | 0 | 0 | 0 | 115.5 | ||
| 356 | Y | 50.5 | Low | 48.8 | Very low | 127 Ų | 127 | 100 Ų | 100 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.1 | 6.9 | -160.1 | -62.7 | -75.8 | 0 | 0 | 0 | 115.4 | D354 G358 V359 P361 | D354-Y356 VanDerWaalsContact C-N 3.28Å; D354-Y356 PolarHBondContact O-N 2.72Å; D354-Y356 PolarHBondContact OD1-N 3.21Å; Y356-G358 PolarHBondContact O-N 3.42Å; Y356-V359 PolarHBondContact O-N 2.78Å; Y356-P361 HydrophobicContact CE1-CG 4.38Å |
| 357 | R | 54.8 | Low | 50.4 | Low | 233 Ų | 233 | 96.5 Ų | 96.5 | 88% | 0.879 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 41.5 | 178.4 | -69.5 | -171.6 | 174.1 | -171.5 | 0.1 | 113.6 | V359 | R357-V359 VanDerWaalsContact C-N 3.33Å; R357-V359 PolarHBondContact O-N 2.77Å |
| 358 | G | 56.5 | Low | 51.8 | Low | 27 Ų | 27 | 95.5 Ų | 95.5 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 3.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y356 L366 | Y356-G358 PolarHBondContact O-N 3.42Å; G358-L366 WeakPolarHBondContact O-CD1 3.37Å |
| 359 | V | 56.8 | Low | 52.6 | Low | 112 Ų | 112 | 98.3 Ų | 98.3 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | trans | -108.4 | 106 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | Y356 R357 | Y356-V359 PolarHBondContact O-N 2.78Å; R357-V359 VanDerWaalsContact C-N 3.33Å; R357-V359 PolarHBondContact O-N 2.77Å | ||
| 360 | C | 62.6 | Low | 53.4 | Low | 31 Ų | 31 | 101.2 Ų | 101.2 | 21% | 0.209 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 134.6 | -179.2 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | C364 C375 | C360-C364 HydrophobicContact CB-CB 4.4Å; C360-C375 WeakPolarHBondContact CA-SG 3.38Å; C360-C375 HydrophobicContact CB-CB 3.86Å; C360-C375 WeakPolarHBondContact CB-SG 3.16Å; C360-C375 WeakPolarHBondContact SG-CA 3.23Å; C360-C375 WeakPolarHBondContact SG-CB 3.42Å; C360-C375 CovalentContact SG-SG 2.04Å; C360-C375 PolarHBondContact SG-SG 3.19Å |
| 361 | P | 60.3 | Low | 54.1 | Low | 58 Ų | 58 | 100.1 Ų | 100.1 | 38% | 0.377 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 156.6 | 175.7 | 28 | -34.8 | 0 | 0 | 0 | 112.2 | Y356 G363 C364 | Y356-P361 HydrophobicContact CE1-CG 4.38Å; P361-G363 PolarHBondContact O-N 2.8Å; P361-C364 WeakPolarHBondContact O-CB 3.07Å; P361-C364 PolarHBondContact O-N 2.88Å |
| 362 | D | 56.4 | Low | 54.6 | Low | 170 Ų | 170 | 98.3 Ų | 98.3 | 91% | 0.909 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.1 | -169.3 | -125.3 | -23.8 | 0 | 0 | 0 | 113.2 | C364 | D362-C364 VanDerWaalsContact C-N 3.29Å; D362-C364 PolarHBondContact O-N 2.69Å |
| 363 | G | 61.7 | Low | 55.4 | Low | 47 Ų | 47 | 100.3 Ų | 100.3 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -10.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P361 | P361-G363 PolarHBondContact O-N 2.8Š|
| 364 | C | 65.9 | Low | 55.9 | Low | 25 Ų | 25 | 101.3 Ų | 101.3 | 17% | 0.169 | 52% | 0.524 | C | S | . | . | trans | -89 | 161.2 | 162.7 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | C360 P361 D362 C375 D376 C377 | C360-C364 HydrophobicContact CB-CB 4.4Å; P361-C364 WeakPolarHBondContact O-CB 3.07Å; P361-C364 PolarHBondContact O-N 2.88Å; D362-C364 VanDerWaalsContact C-N 3.29Å; D362-C364 PolarHBondContact O-N 2.69Å; C364-C375 HydrophobicContact CB-CB 4.31Å; C364-D376 WeakPolarHBondContact CA-O 3.45Å; C364-C377 HydrophobicContact CB-CB 4.06Å; C364-C377 WeakPolarHBondContact CB-SG 3.2Å; C364-C377 WeakPolarHBondContact SG-CB 3.5Å; C364-C377 CovalentContact SG-SG 2.04Å; C364-C377 PolarHBondContact SG-SG 2.73Å | ||
| 365 | H | 67 | Low | 56.6 | Low | 62 Ų | 62 | 99 Ų | 99 | 29% | 0.287 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140 | 176 | 60.5 | -35 | 0 | 0 | 0 | 111.5 | V367 D376 R379 | H365-V367 PolarHBondContact O-N 2.57Å; H365-D376 IonicContact CE1-OD2 3.31Å; H365-D376 PolarHBondContact CE1-OD2 2.82Å; H365-D376 VanDerWaalsContact CE1-OD2 3.31Å; H365-D376 PolarHBondContact N-O 3.14Å; H365-D376 PolarHBondContact ND1-O 3.03Å; H365-D376 PolarHBondContact O-N 2.78Å; H365-R379 PolarHBondContact NE2-NE 2.85Å; H365-R379 PolarHBondContact NE2-NH2 3.14Å; H365-R379 VanDerWaalsContact NE2-NH2 3.11Å |
| 366 | L | 62.7 | Low | 57.4 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.8 | -176.1 | -149.8 | 156.1 | 0 | 0 | 0 | 109.5 | G358 Q373 | G358-L366 WeakPolarHBondContact O-CD1 3.37Å; L366-Q373 HydrophobicContact CD2-CB 4.34Å; L366-Q373 HydrophobicContact CD2-CG 4.49Å |
| 367 | V | 62.6 | Low | 58.1 | Low | 44 Ų | 44 | 93.4 Ų | 93.4 | 27% | 0.267 | 49% | 0.49 | S | S | . | . | trans | -124.9 | 107.6 | -175 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | H365 R369 R374 D376 | H365-V367 PolarHBondContact O-N 2.57Å; V367-R369 HydrophobicContact CG1-CG 4.41Å; V367-R369 PolarHBondContact O-N 3.05Å; V367-R374 PolarHBondContact N-O 2.79Å; V367-D376 HydrophobicContact CB-CB 4.06Å; V367-D376 HydrophobicContact CG2-CB 3.52Å | ||
| 368 | S | 56.3 | Low | 58.2 | Low | 92 Ų | 92 | 86.8 Ų | 86.8 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | trans | -69.4 | 125.9 | 169.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 369 | R | 46.3 | Very low | 58 | Low | 189 Ų | 189 | 94.1 Ų | 94.1 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | B | Isolated β-bridge | trans | -146.7 | 128.2 | 165.7 | -86.5 | -169.2 | 171.3 | -175.6 | -1.8 | 110 | V367 N371 C372 | V367-R369 HydrophobicContact CG1-CG 4.41Å; V367-R369 PolarHBondContact O-N 3.05Å; R369-N371 PolarHBondContact O-N 3.11Å; R369-C372 PolarHBondContact O-N 2.84Å |
| 370 | H | 47.7 | Very low | 57.2 | Low | 174 Ų | 174 | 94.7 Ų | 94.7 | 81% | 0.806 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 48.5 | 173.4 | -51.4 | -69.5 | 0 | 0 | 0 | 113.4 | C372 | H370-C372 PolarHBondContact O-N 2.91Š|
| 371 | N | 45.5 | Very low | 55.9 | Low | 160 Ų | 160 | 98.5 Ų | 98.5 | 86% | 0.856 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 2.9 | 175.7 | -63.1 | 5.6 | 0 | 0 | 0 | 117.5 | R369 | R369-N371 PolarHBondContact O-N 3.11Š|
| 372 | C | 48.8 | Very low | 54.4 | Low | 48 Ų | 48 | 100.9 Ų | 100.9 | 32% | 0.324 | 55% | 0.549 | S | S | . | . | B | Isolated β-bridge | trans | -104.2 | 135.7 | 166.5 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | C351 R369 H370 | C351-C372 HydrophobicContact CB-CB 4.16Å; C351-C372 WeakPolarHBondContact CB-SG 3.16Å; C351-C372 WeakPolarHBondContact SG-CB 3.15Å; C351-C372 CovalentContact SG-SG 2.04Å; C351-C372 PolarHBondContact SG-SG 2.88Å; R369-C372 PolarHBondContact O-N 2.84Å; H370-C372 PolarHBondContact O-N 2.91Å |
| 373 | Q | 56.7 | Low | 53 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | trans | -79.8 | 144.6 | 174.5 | -61.1 | -170.3 | 11.3 | 0 | 0 | 109.8 | L366 | L366-Q373 HydrophobicContact CD2-CB 4.34Å; L366-Q373 HydrophobicContact CD2-CG 4.49Å | ||
| 374 | R | 56.1 | Low | 51.5 | Low | 151 Ų | 151 | 98.3 Ų | 98.3 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | trans | -154.9 | 145.7 | 174.2 | -120.6 | 176.6 | -170.1 | 172.4 | 7.6 | 111.8 | P352 V367 | P352-R374 PolarHBondContact O-NH2 3.13Å; V367-R374 PolarHBondContact N-O 2.79Å | ||
| 375 | C | 66.4 | Low | 49.7 | Very low | 32 Ų | 32 | 106.9 Ų | 106.9 | 22% | 0.216 | 59% | 0.585 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.6 | 173.1 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | C360 C364 | C360-C375 WeakPolarHBondContact CA-SG 3.38Å; C360-C375 HydrophobicContact CB-CB 3.86Å; C360-C375 WeakPolarHBondContact CB-SG 3.16Å; C360-C375 WeakPolarHBondContact SG-CA 3.23Å; C360-C375 WeakPolarHBondContact SG-CB 3.42Å; C360-C375 CovalentContact SG-SG 2.04Å; C360-C375 PolarHBondContact SG-SG 3.19Å; C364-C375 HydrophobicContact CB-CB 4.31Å |
| 376 | D | 64.3 | Low | 47.8 | Very low | 51 Ų | 51 | 111.2 Ų | 111.2 | 27% | 0.273 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.4 | 172.5 | -178.4 | 4.4 | 0 | 0 | 0 | 110 | C364 H365 V367 S378 | C364-D376 WeakPolarHBondContact CA-O 3.45Å; H365-D376 IonicContact CE1-OD2 3.31Å; H365-D376 PolarHBondContact CE1-OD2 2.82Å; H365-D376 VanDerWaalsContact CE1-OD2 3.31Å; H365-D376 PolarHBondContact N-O 3.14Å; H365-D376 PolarHBondContact ND1-O 3.03Å; H365-D376 PolarHBondContact O-N 2.78Å; V367-D376 HydrophobicContact CB-CB 4.06Å; V367-D376 HydrophobicContact CG2-CB 3.52Å; D376-S378 VanDerWaalsContact CG-OG 3.31Å; D376-S378 WeakPolarHBondContact OD1-CB 3.38Å; D376-S378 PolarHBondContact OD1-N 2.84Å; D376-S378 PolarHBondContact OD1-OG 2.89Å; D376-S378 PolarHBondContact OD2-OG 2.85Å |
| 377 | C | 64.1 | Low | 46.3 | Very low | 56 Ų | 56 | 117 Ų | 117 | 38% | 0.378 | 63% | 0.626 | S | S | . | * | trans | -98.3 | 8.1 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | C364 R379 L380 | C364-C377 HydrophobicContact CB-CB 4.06Å; C364-C377 WeakPolarHBondContact CB-SG 3.2Å; C364-C377 WeakPolarHBondContact SG-CB 3.5Å; C364-C377 CovalentContact SG-SG 2.04Å; C364-C377 PolarHBondContact SG-SG 2.73Å; C377-R379 PolarHBondContact O-N 2.82Å; C377-L380 HydrophobicContact CB-CD1 4.44Å; C377-L380 PolarHBondContact O-N 3.04Å | ||
| 378 | S | 58 | Low | 44.7 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -2.7 | -167.9 | 64.9 | 0 | 0 | 0 | 0 | 116.4 | D376 | D376-S378 VanDerWaalsContact CG-OG 3.31Å; D376-S378 WeakPolarHBondContact OD1-CB 3.38Å; D376-S378 PolarHBondContact OD1-N 2.84Å; D376-S378 PolarHBondContact OD1-OG 2.89Å; D376-S378 PolarHBondContact OD2-OG 2.85Å |
| 379 | R | 52.6 | Low | 43.4 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -15.4 | 175.8 | -61.3 | -171.7 | -170.2 | -166.2 | 7.3 | 114 | H365 C377 S381 | H365-R379 PolarHBondContact NE2-NE 2.85Å; H365-R379 PolarHBondContact NE2-NH2 3.14Å; H365-R379 VanDerWaalsContact NE2-NH2 3.11Å; C377-R379 PolarHBondContact O-N 2.82Å; R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 PolarHBondContact O-OG 2.88Å |
| 380 | L | 40 | Very low | 42.6 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | trans | -69.7 | 93.2 | 178.8 | -73 | 169.5 | 0 | 0 | 0 | 110.6 | C377 | C377-L380 HydrophobicContact CB-CD1 4.44Å; C377-L380 PolarHBondContact O-N 3.04Å | ||
| 381 | S | 35 | Very low | 41.8 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | trans | -107.3 | 99.3 | -166.2 | 31.7 | 0 | 0 | 0 | 0 | 112.6 | R379 | R379-S381 PolarHBondContact O-N 3.05Å; R379-S381 PolarHBondContact O-OG 2.88Å | ||
| 382 | A | 28.8 | Very low | 41 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 44.7 | 76.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 383 | G | 27.7 | Very low | 40.4 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | 155 | 112.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 384 | A | 28.5 | Very low | 39.3 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | 75.3 | 141.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 385 | Y | 29.1 | Very low | 38.6 | Very low | 205 Ų | 205 | 121.3 Ų | 121.3 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 72.3 | 100.1 | 171.8 | -60.8 | -74 | 0 | 0 | 0 | 118.4 | ||
| 386 | D | 27 | Very low | 37.7 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | trans | 52.4 | 117.6 | 138.8 | -46.6 | -24 | 0 | 0 | 0 | 119.2 | ||||
| 387 | R | 30.4 | Very low | 36.7 | Very low | 208 Ų | 208 | 122.2 Ų | 122.2 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -104.2 | 152 | 178.5 | -67.8 | -179.9 | 173.3 | -174.3 | -3.2 | 111.5 | E390 | R387-E390 IonicContact NH1-OE1 3.36Å; R387-E390 PolarHBondContact NH1-OE1 2.84Å | ||
| 388 | P | 30.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 155.6 | 159.3 | -19.5 | 32.9 | 0 | 0 | 0 | 111.7 | E390 | P388-E390 PolarHBondContact O-N 2.89Š|
| 389 | S | 28.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 125.1 | -174.4 | 43.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 390 | E | 29 | Very low | 35.3 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 149.2 | 162.9 | -62.3 | 179 | -177 | 0 | 0 | 109.6 | R387 P388 | R387-E390 IonicContact NH1-OE1 3.36Å; R387-E390 PolarHBondContact NH1-OE1 2.84Å; P388-E390 PolarHBondContact O-N 2.89Å |
| 391 | P | 30.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.7 | 175.2 | 24.3 | -33.2 | 0 | 0 | 0 | 110.6 | G393 | P391-G393 PolarHBondContact O-N 2.96Š|
| 392 | P | 28.9 | Very low | 37 | Very low | 139 Ų | 139 | 119.6 Ų | 119.6 | 90% | 0.903 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.3 | 100.1 | -162.5 | 29.1 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 393 | G | 35.8 | Very low | 38.6 | Very low | 51 Ų | 51 | 118 Ų | 118 | 53% | 0.526 | 63% | 0.633 | S | S | . | * | trans | -160.7 | -8.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | P391 | P391-G393 PolarHBondContact O-N 2.96Š| ||
| 394 | R | 35.3 | Very low | 40.4 | Very low | 223 Ų | 223 | 114.7 Ų | 114.7 | 84% | 0.842 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -107 | -9.2 | -168.8 | -113.4 | 179.3 | -177.3 | 168.7 | 4.5 | 117.5 | ||
| 395 | E | 41.3 | Very low | 42.5 | Very low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 58% | 0.577 | S | S | * | * | trans | -91.3 | -7 | -168.5 | -66.1 | -157.1 | 120.9 | 0 | 0 | 116.2 | Y397 H398 | E395-Y397 PolarHBondContact O-N 3.23Å; E395-H398 PolarHBondContact O-CD2 3.47Å; E395-H398 PolarHBondContact O-NE2 2.98Å | ||
| 396 | I | 48 | Very low | 44.8 | Very low | 51 Ų | 51 | 112.3 Ų | 112.3 | 26% | 0.262 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -56.8 | -27.1 | -169.8 | -60.7 | 178.8 | 0 | 0 | 0 | 113.8 | H398 Y404 I434 | I396-H398 PolarHBondContact O-N 3.21Å; I396-Y404 HydrophobicContact CG2-CE2 4.05Å; I396-Y404 WeakPolarHBondContact O-CD2 3.44Å; I396-I434 HydrophobicContact CD1-CD1 4.47Å; I396-I434 HydrophobicContact CG2-CD1 3.72Å |
| 397 | Y | 42.1 | Very low | 47.3 | Very low | 51 Ų | 51 | 108.8 Ų | 108.8 | 20% | 0.2 | 55% | 0.553 | C | S | . | * | trans | -101.3 | 66.1 | -169.4 | -66.3 | -72.2 | 0 | 0 | 0 | 115 | E395 Y404 Q613 C615 P616 | E395-Y397 PolarHBondContact O-N 3.23Å; Y397-Y404 AromaticContact CD1-CD2 4Å; Y397-Y404 HydrophobicContact CD1-CD2 4Å; Y397-Y404 AromaticContact CD1-CE2 3.54Å; Y397-Y404 HydrophobicContact CD1-CE2 3.54Å; Y397-Y404 HydrophobicContact CE1-CD2 4.32Å; Y397-Y404 AromaticContact CE1-CE2 3.41Å; Y397-Y404 HydrophobicContact CE1-CE2 3.41Å; Y397-Y404 VanDerWaalsContact CE1-CE2 3.41Å; Y397-Q613 HydrophobicContact CD2-CG 4.42Å; Y397-Q613 HydrophobicContact CE2-CG 3.77Å; Y397-Q613 PolarHBondContact OH-O 3.33Å; Y397-C615 HydrophobicContact CE1-CB 4.24Å; Y397-C615 WeakPolarHBondContact OH-CA 3.29Å; Y397-C615 PolarHBondContact OH-N 2.88Å; Y397-P616 HydrophobicContact CD1-CG 3.9Å; Y397-P616 HydrophobicContact CE1-CG 4.29Å | ||
| 398 | H | 45.8 | Very low | 49.9 | Very low | 53 Ų | 53 | 99.9 Ų | 99.9 | 25% | 0.245 | 52% | 0.522 | C | S | . | . | trans | -67 | 140.2 | 174.1 | -80.5 | -101.3 | 0 | 0 | 0 | 113.9 | E395 I396 S400 E403 | E395-H398 PolarHBondContact O-CD2 3.47Å; E395-H398 PolarHBondContact O-NE2 2.98Å; I396-H398 PolarHBondContact O-N 3.21Å; H398-S400 PolarHBondContact O-N 3.02Å; H398-S400 VanDerWaalsContact O-N 3.13Å; H398-E403 HydrophobicContact CB-CB 3.87Å; H398-E403 HydrophobicContact CB-CG 3.79Å; H398-E403 IonicContact CE1-OE2 2.84Å; H398-E403 IonicContact CG-OE2 3.81Å; H398-E403 IonicContact ND1-OE1 3.86Å; H398-E403 IonicContact ND1-OE2 3.44Å; H398-E403 PolarHBondContact ND1-OE2 2.93Å | ||
| 399 | R | 46.6 | Very low | 52.6 | Low | 249 Ų | 249 | 95.1 Ų | 95.1 | 94% | 0.94 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -76.2 | 5.7 | -176.7 | -141.5 | -177.5 | -160.4 | 172.1 | 8 | 114.7 | ||
| 400 | S | 52.9 | Low | 55.4 | Low | 43 Ų | 43 | 95.5 Ų | 95.5 | 30% | 0.301 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -120.2 | 131.6 | 174 | 86.6 | 0 | 0 | 0 | 0 | 110.6 | H398 T402 E403 Y404 | H398-S400 PolarHBondContact O-N 3.02Å; H398-S400 VanDerWaalsContact O-N 3.13Å; S400-T402 PolarHBondContact O-N 2.85Å; S400-T402 PolarHBondContact OG-OG1 3.46Å; S400-E403 PolarHBondContact O-N 2.92Å; S400-E403 VanDerWaalsContact O-N 3.09Å; S400-E403 WeakPolarHBondContact OG-CB 3.49Å; S400-E403 PolarHBondContact OG-OE2 2.92Å; S400-Y404 PolarHBondContact O-N 2.92Å |
| 401 | S | 52 | Low | 58.4 | Low | 59 Ų | 59 | 89.8 Ų | 89.8 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -31.2 | -177.5 | 49.7 | 0 | 0 | 0 | 0 | 113 | E403 C405 S421 | S401-E403 PolarHBondContact O-N 2.73Å; S401-C405 PolarHBondContact O-N 3.49Å; S401-C405 PolarHBondContact O-SG 2.93Å; S401-S421 WeakPolarHBondContact CB-OG 3.4Å |
| 402 | T | 59 | Low | 61.2 | Low | 108 Ų | 108 | 84.6 Ų | 84.6 | 66% | 0.663 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -71.1 | -12.7 | 177.4 | 42.3 | 0 | 0 | 0 | 0 | 115.2 | S400 | S400-T402 PolarHBondContact O-N 2.85Å; S400-T402 PolarHBondContact OG-OG1 3.46Å |
| 403 | E | 62.6 | Low | 64.2 | Low | 75 Ų | 75 | 81 Ų | 81 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -105.1 | -48.6 | -174.4 | -164.4 | 163 | -129.3 | 0 | 0 | 110 | H398 S400 S401 C405 R406 | H398-E403 HydrophobicContact CB-CB 3.87Å; H398-E403 HydrophobicContact CB-CG 3.79Å; H398-E403 IonicContact CE1-OE2 2.84Å; H398-E403 IonicContact CG-OE2 3.81Å; H398-E403 IonicContact ND1-OE1 3.86Å; H398-E403 IonicContact ND1-OE2 3.44Å; H398-E403 PolarHBondContact ND1-OE2 2.93Å; S400-E403 PolarHBondContact O-N 2.92Å; S400-E403 VanDerWaalsContact O-N 3.09Å; S400-E403 WeakPolarHBondContact OG-CB 3.49Å; S400-E403 PolarHBondContact OG-OE2 2.92Å; S401-E403 PolarHBondContact O-N 2.73Å; E403-C405 VanDerWaalsContact C-N 3.29Å; E403-C405 PolarHBondContact O-N 3.08Å; E403-R406 VanDerWaalsContact O-CB 3.3Å; E403-R406 WeakPolarHBondContact O-CB 3.42Å; E403-R406 WeakPolarHBondContact O-CG 3.42Å; E403-R406 PolarHBondContact O-N 3.18Å |
| 404 | Y | 65.1 | Low | 66.7 | Low | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -51.4 | -45.7 | 171.4 | -179 | -86.9 | 0 | 0 | 0 | 112.6 | I396 Y397 S400 R406 H407 S421 C422 C423 | I396-Y404 HydrophobicContact CG2-CE2 4.05Å; I396-Y404 WeakPolarHBondContact O-CD2 3.44Å; Y397-Y404 AromaticContact CD1-CD2 4Å; Y397-Y404 HydrophobicContact CD1-CD2 4Å; Y397-Y404 AromaticContact CD1-CE2 3.54Å; Y397-Y404 HydrophobicContact CD1-CE2 3.54Å; Y397-Y404 HydrophobicContact CE1-CD2 4.32Å; Y397-Y404 AromaticContact CE1-CE2 3.41Å; Y397-Y404 HydrophobicContact CE1-CE2 3.41Å; Y397-Y404 VanDerWaalsContact CE1-CE2 3.41Å; S400-Y404 PolarHBondContact O-N 2.92Å; Y404-R406 PolarHBondContact O-N 2.72Å; Y404-H407 PolarHBondContact O-N 2.79Å; Y404-S421 WeakPolarHBondContact CD1-O 2.97Å; Y404-S421 WeakPolarHBondContact CE1-O 3.2Å; Y404-C422 VanDerWaalsContact CE1-CA 3.47Å; Y404-C423 WeakPolarHBondContact CE1-SG 3.39Å |
| 405 | C | 72.6 | Confident | 69 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -6.2 | -179.3 | -63 | 0 | 0 | 0 | 0 | 115.1 | S401 E403 C414 | S401-C405 PolarHBondContact O-N 3.49Å; S401-C405 PolarHBondContact O-SG 2.93Å; E403-C405 VanDerWaalsContact C-N 3.29Å; E403-C405 PolarHBondContact O-N 3.08Å; C405-C414 VanDerWaalsContact CA-SG 3.5Å; C405-C414 HydrophobicContact CB-CB 3.64Å; C405-C414 WeakPolarHBondContact CB-SG 3.47Å; C405-C414 WeakPolarHBondContact SG-CB 3.48Å; C405-C414 CovalentContact SG-SG 2.03Å; C405-C414 PolarHBondContact SG-SG 2.86Å |
| 406 | R | 77.7 | Confident | 70.7 | Confident | 199 Ų | 199 | 70.6 Ų | 70.6 | 75% | 0.751 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -19.9 | 173.1 | -61.5 | 179.1 | 175.3 | -168.4 | -3.7 | 113.3 | E403 Y404 | E403-R406 VanDerWaalsContact O-CB 3.3Å; E403-R406 WeakPolarHBondContact O-CB 3.42Å; E403-R406 WeakPolarHBondContact O-CG 3.42Å; E403-R406 PolarHBondContact O-N 3.18Å; Y404-R406 PolarHBondContact O-N 2.72Å |
| 407 | H | 78.2 | Confident | 72.1 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.375 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -92.4 | -0.5 | 179.8 | -57 | -87.8 | 0 | 0 | 0 | 112.7 | Y404 | Y404-H407 PolarHBondContact O-N 2.79Š|
| 408 | C | 85.6 | Confident | 73.4 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 14% | 0.142 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -72.6 | 142.9 | 172.7 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | A412 C423 | C408-A412 HydrophobicContact CB-CB 4.16Å; C408-C423 WeakPolarHBondContact CA-SG 3.45Å; C408-C423 HydrophobicContact CB-CB 3.71Å; C408-C423 WeakPolarHBondContact CB-SG 3Å; C408-C423 VanDerWaalsContact SG-CA 3.56Å; C408-C423 WeakPolarHBondContact SG-CB 3.21Å; C408-C423 CovalentContact SG-SG 2.03Å; C408-C423 PolarHBondContact SG-SG 3.34Å |
| 409 | S | 87.3 | Confident | 74.6 | Confident | 23 Ų | 23 | 84.6 Ų | 84.6 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | trans | -51.2 | 146.4 | 173 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | A411 A412 G433 I434 | S409-A411 PolarHBondContact O-N 2.87Å; S409-A411 VanDerWaalsContact O-N 3.08Å; S409-A411 PolarHBondContact OG-N 2.81Å; S409-A412 WeakPolarHBondContact O-CB 3.01Å; S409-A412 PolarHBondContact O-N 3.47Å; S409-G433 PolarHBondContact N-O 2.91Å; S409-I434 WeakPolarHBondContact CB-O 3.39Å | ||
| 410 | P | 87.8 | Confident | 75.9 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.3 | 163.4 | -25.7 | 35.5 | 0 | 0 | 0 | 113 | A412 K426 | P410-A412 VanDerWaalsContact C-N 3.34Å; P410-K426 PolarHBondContact O-NZ 2.92Å |
| 411 | A | 90.4 | Very high | 77.1 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | S409 K426 Y429 C436 | S409-A411 PolarHBondContact O-N 2.87Å; S409-A411 VanDerWaalsContact O-N 3.08Å; S409-A411 PolarHBondContact OG-N 2.81Å; A411-K426 VanDerWaalsContact O-CB 3.25Å; A411-K426 WeakPolarHBondContact O-CB 3.48Å; A411-K426 WeakPolarHBondContact O-CD 3.49Å; A411-K426 WeakPolarHBondContact O-CG 3.29Å; A411-K426 PolarHBondContact O-N 3.1Å; A411-Y429 HydrophobicContact CB-CD1 3.48Å; A411-Y429 VanDerWaalsContact CB-CD1 3.48Å; A411-Y429 HydrophobicContact CB-CD2 4.28Å; A411-Y429 HydrophobicContact CB-CE1 3.51Å; A411-Y429 HydrophobicContact CB-CE2 4.31Å; A411-Y429 HydrophobicContact CB-CG 3.88Å; A411-C436 HydrophobicContact CB-CB 3.86Å |
| 412 | A | 91 | Very high | 78.7 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 167.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | C408 S409 P410 K424 K426 G433 | C408-A412 HydrophobicContact CB-CB 4.16Å; S409-A412 WeakPolarHBondContact O-CB 3.01Å; S409-A412 PolarHBondContact O-N 3.47Å; P410-A412 VanDerWaalsContact C-N 3.34Å; A412-K424 CarbonylContact C-O 3.55Å; A412-K424 WeakPolarHBondContact CA-O 3.47Å; A412-K424 VanDerWaalsContact CB-O 3.24Å; A412-K424 WeakPolarHBondContact CB-O 3.33Å; A412-K426 WeakPolarHBondContact O-CE 3.32Å; A412-K426 PolarHBondContact O-NZ 2.95Å; A412-G433 WeakPolarHBondContact CB-O 3.41Å |
| 413 | T | 90.5 | Very high | 80.1 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139 | 166.9 | 50 | 0 | 0 | 0 | 0 | 109.7 | K424 K426 | T413-K424 PolarHBondContact N-O 2.94Å; T413-K424 PolarHBondContact O-N 2.79Å; T413-K424 PolarHBondContact OG1-O 2.9Å; T413-K426 HydrophobicContact CG2-CG 4.1Å |
| 414 | C | 88.8 | Confident | 81.3 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 117.5 | 175.4 | -159 | 0 | 0 | 0 | 0 | 110.3 | C405 C422 | C405-C414 VanDerWaalsContact CA-SG 3.5Å; C405-C414 HydrophobicContact CB-CB 3.64Å; C405-C414 WeakPolarHBondContact CB-SG 3.47Å; C405-C414 WeakPolarHBondContact SG-CB 3.48Å; C405-C414 CovalentContact SG-SG 2.03Å; C405-C414 PolarHBondContact SG-SG 2.86Å; C414-C422 CarbonylContact C-O 3.58Å; C414-C422 WeakPolarHBondContact CA-O 3.41Å |
| 415 | E | 84.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.5 | 174.7 | -65.7 | -166.3 | 155.2 | 0 | 0 | 110.1 | Y417 S421 C422 K424 | E415-Y417 HydrophobicContact CB-CE2 4.22Å; E415-Y417 WeakPolarHBondContact O-CD2 3.5Å; E415-Y417 WeakPolarHBondContact O-CE2 3.1Å; E415-S421 CarbonylContact O-C 3.5Å; E415-S421 VanDerWaalsContact O-CA 3.24Å; E415-S421 WeakPolarHBondContact O-CA 3.35Å; E415-S421 WeakPolarHBondContact O-CB 3.46Å; E415-C422 PolarHBondContact N-O 2.84Å; E415-C422 PolarHBondContact O-N 3.16Å; E415-K424 HydrophobicContact CG-CD 4.09Å; E415-K424 WeakPolarHBondContact OE1-CD 3.42Å; E415-K424 IonicContact OE1-NZ 3.74Å; E415-K424 PolarHBondContact OE1-NZ 2.89Å; E415-K424 VanDerWaalsContact OE2-CD 3.27Å; E415-K424 WeakPolarHBondContact OE2-CD 2.91Å; E415-K424 IonicContact OE2-NZ 2.7Å; E415-K424 PolarHBondContact OE2-NZ 3.48Å |
| 416 | S | 77.1 | Confident | 83.3 | Confident | 92 Ų | 92 | 68 Ų | 68 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.2 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | S421 | S416-S421 WeakPolarHBondContact CA-OG 3.28Å; S416-S421 WeakPolarHBondContact CB-OG 3.35Å; S416-S421 PolarHBondContact OG-OG 3.37Å |
| 417 | Y | 76.4 | Confident | 83.7 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 174.9 | 176.5 | -61.6 | -91.1 | 0 | 0 | 0 | 109.8 | E415 E419 G420 C422 P619 | E415-Y417 HydrophobicContact CB-CE2 4.22Å; E415-Y417 WeakPolarHBondContact O-CD2 3.5Å; E415-Y417 WeakPolarHBondContact O-CE2 3.1Å; Y417-E419 PolarHBondContact O-N 2.81Å; Y417-G420 PolarHBondContact N-O 2.8Å; Y417-G420 PolarHBondContact O-N 3.21Å; Y417-G420 VanDerWaalsContact O-O 3.07Å; Y417-C422 HydrophobicContact CD2-CB 4.43Å; Y417-C422 HydrophobicContact CE2-CB 3.77Å; Y417-P619 HydrophobicContact CE1-CG 4.35Å |
| 418 | Q | 70.4 | Confident | 83.8 | Confident | 207 Ų | 207 | 67.2 Ų | 67.2 | 97% | 0.967 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.8 | -175.7 | -67.1 | -172.5 | -3.6 | 0 | 0 | 114.1 | ||
| 419 | E | 69.6 | Low | 83.9 | Confident | 167 Ų | 167 | 70.6 Ų | 70.6 | 78% | 0.78 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -3.5 | -174.1 | -60.5 | -174.4 | 161.2 | 0 | 0 | 113.8 | Y417 Y617 | Y417-E419 PolarHBondContact O-N 2.81Å; E419-Y617 VanDerWaalsContact C-CE1 3.47Å; E419-Y617 HydrophobicContact CB-CD1 3.84Å; E419-Y617 HydrophobicContact CB-CE1 4.04Å; E419-Y617 WeakPolarHBondContact O-CE1 3.46Å |
| 420 | G | 73.9 | Confident | 83.9 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -145.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y417 | Y417-G420 PolarHBondContact N-O 2.8Å; Y417-G420 PolarHBondContact O-N 3.21Å; Y417-G420 VanDerWaalsContact O-O 3.07Å |
| 421 | S | 79.4 | Confident | 84 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.9 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | S401 Y404 E415 S416 C615 Y617 | S401-S421 WeakPolarHBondContact CB-OG 3.4Å; Y404-S421 WeakPolarHBondContact CD1-O 2.97Å; Y404-S421 WeakPolarHBondContact CE1-O 3.2Å; E415-S421 CarbonylContact O-C 3.5Å; E415-S421 VanDerWaalsContact O-CA 3.24Å; E415-S421 WeakPolarHBondContact O-CA 3.35Å; E415-S421 WeakPolarHBondContact O-CB 3.46Å; S416-S421 WeakPolarHBondContact CA-OG 3.28Å; S416-S421 WeakPolarHBondContact CB-OG 3.35Å; S416-S421 PolarHBondContact OG-OG 3.37Å; S421-C615 PolarHBondContact O-SG 2.61Å; S421-Y617 VanDerWaalsContact O-CD2 3.29Å; S421-Y617 WeakPolarHBondContact O-CD2 3.08Å |
| 422 | C | 84.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.3 | 174 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | Y404 C414 E415 Y417 C615 L618 | Y404-C422 VanDerWaalsContact CE1-CA 3.47Å; C414-C422 CarbonylContact C-O 3.58Å; C414-C422 WeakPolarHBondContact CA-O 3.41Å; E415-C422 PolarHBondContact N-O 2.84Å; E415-C422 PolarHBondContact O-N 3.16Å; Y417-C422 HydrophobicContact CD2-CB 4.43Å; Y417-C422 HydrophobicContact CE2-CB 3.77Å; C422-C615 WeakPolarHBondContact CA-SG 3.33Å; C422-C615 HydrophobicContact CB-CB 3.73Å; C422-C615 WeakPolarHBondContact CB-SG 3.2Å; C422-C615 WeakPolarHBondContact SG-CB 3Å; C422-C615 CovalentContact SG-SG 2.03Å; C422-C615 PolarHBondContact SG-SG 2.95Å; C422-L618 HydrophobicContact CB-CD1 4.23Å; C422-L618 PolarHBondContact SG-N 2.74Å; C422-L618 VanDerWaalsContact SG-N 3.37Å |
| 423 | C | 89.4 | Confident | 83.8 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 161.5 | 169.7 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | Y404 C408 G433 I434 | Y404-C423 WeakPolarHBondContact CE1-SG 3.39Å; C408-C423 WeakPolarHBondContact CA-SG 3.45Å; C408-C423 HydrophobicContact CB-CB 3.71Å; C408-C423 WeakPolarHBondContact CB-SG 3Å; C408-C423 VanDerWaalsContact SG-CA 3.56Å; C408-C423 WeakPolarHBondContact SG-CB 3.21Å; C408-C423 CovalentContact SG-SG 2.03Å; C408-C423 PolarHBondContact SG-SG 3.34Å; C423-G433 VanDerWaalsContact CB-O 3.24Å; C423-G433 WeakPolarHBondContact CB-O 3.28Å; C423-I434 HydrophobicContact CB-CG1 4.4Å |
| 424 | K | 88 | Confident | 83.7 | Confident | 100 Ų | 100 | 64 Ų | 64 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 128 | 179 | -178.9 | -179.6 | -175.5 | 175.7 | 0 | 109.7 | A412 T413 E415 | A412-K424 CarbonylContact C-O 3.55Å; A412-K424 WeakPolarHBondContact CA-O 3.47Å; A412-K424 VanDerWaalsContact CB-O 3.24Å; A412-K424 WeakPolarHBondContact CB-O 3.33Å; T413-K424 PolarHBondContact N-O 2.94Å; T413-K424 PolarHBondContact O-N 2.79Å; T413-K424 PolarHBondContact OG1-O 2.9Å; E415-K424 HydrophobicContact CG-CD 4.09Å; E415-K424 WeakPolarHBondContact OE1-CD 3.42Å; E415-K424 IonicContact OE1-NZ 3.74Å; E415-K424 PolarHBondContact OE1-NZ 2.89Å; E415-K424 VanDerWaalsContact OE2-CD 3.27Å; E415-K424 WeakPolarHBondContact OE2-CD 2.91Å; E415-K424 IonicContact OE2-NZ 2.7Å; E415-K424 PolarHBondContact OE2-NZ 3.48Å |
| 425 | C | 90.1 | Very high | 83.6 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 14% | 0.142 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 148.5 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | Y429 E435 C436 | C425-Y429 VanDerWaalsContact CB-O 3.32Å; C425-Y429 WeakPolarHBondContact CB-O 3.37Å; C425-E435 PolarHBondContact SG-O 2.72Å; C425-C436 WeakPolarHBondContact CA-SG 3.46Å; C425-C436 HydrophobicContact CB-CB 4Å; C425-C436 WeakPolarHBondContact CB-SG 3.31Å; C425-C436 VanDerWaalsContact SG-CA 3.55Å; C425-C436 WeakPolarHBondContact SG-CB 3.12Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.03Å |
| 426 | K | 90.1 | Very high | 83.8 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 163.4 | 173.8 | -71.7 | 163.7 | -175.7 | 155.1 | 0 | 110.3 | P410 A411 A412 T413 G428 Y429 | P410-K426 PolarHBondContact O-NZ 2.92Å; A411-K426 VanDerWaalsContact O-CB 3.25Å; A411-K426 WeakPolarHBondContact O-CB 3.48Å; A411-K426 WeakPolarHBondContact O-CD 3.49Å; A411-K426 WeakPolarHBondContact O-CG 3.29Å; A411-K426 PolarHBondContact O-N 3.1Å; A412-K426 WeakPolarHBondContact O-CE 3.32Å; A412-K426 PolarHBondContact O-NZ 2.95Å; T413-K426 HydrophobicContact CG2-CG 4.1Å; K426-G428 PolarHBondContact O-N 3.26Å; K426-Y429 HydrophobicContact CB-CD2 4.37Å; K426-Y429 WeakPolarHBondContact O-CA 3.23Å; K426-Y429 WeakPolarHBondContact O-CB 3.41Å; K426-Y429 PolarHBondContact O-N 2.94Å |
| 427 | Y | 84.2 | Confident | 84.2 | Confident | 234 Ų | 234 | 56.6 Ų | 56.6 | 92% | 0.918 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.2 | 173.3 | -176.3 | -102.5 | 0 | 0 | 0 | 111.6 | Y429 | Y427-Y429 VanDerWaalsContact C-N 3.3Š|
| 428 | G | 82 | Confident | 84.6 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 1.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | K426 K438 E439 | K426-G428 PolarHBondContact O-N 3.26Å; G428-K438 WeakPolarHBondContact O-CA 3.1Å; G428-E439 PolarHBondContact O-N 3.07Å |
| 429 | Y | 88.1 | Confident | 84.9 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.4 | 175.5 | -67.3 | -101.5 | 0 | 0 | 0 | 112.2 | A411 C425 K426 Y427 C436 A437 K438 | A411-Y429 HydrophobicContact CB-CD1 3.48Å; A411-Y429 VanDerWaalsContact CB-CD1 3.48Å; A411-Y429 HydrophobicContact CB-CD2 4.28Å; A411-Y429 HydrophobicContact CB-CE1 3.51Å; A411-Y429 HydrophobicContact CB-CE2 4.31Å; A411-Y429 HydrophobicContact CB-CG 3.88Å; C425-Y429 VanDerWaalsContact CB-O 3.32Å; C425-Y429 WeakPolarHBondContact CB-O 3.37Å; K426-Y429 HydrophobicContact CB-CD2 4.37Å; K426-Y429 WeakPolarHBondContact O-CA 3.23Å; K426-Y429 WeakPolarHBondContact O-CB 3.41Å; K426-Y429 PolarHBondContact O-N 2.94Å; Y427-Y429 VanDerWaalsContact C-N 3.3Å; Y429-C436 HydrophobicContact CD1-CB 4.37Å; Y429-A437 CarbonylContact C-O 3.57Å; Y429-A437 WeakPolarHBondContact CA-O 3.17Å; Y429-A437 VanDerWaalsContact CB-O 3.28Å; Y429-A437 WeakPolarHBondContact CB-O 3.34Å; Y429-A437 VanDerWaalsContact CD1-O 3.3Å; Y429-A437 WeakPolarHBondContact CD1-O 3.36Å; Y429-K438 HydrophobicContact CD1-CG 4.07Å; Y429-K438 HydrophobicContact CE1-CG 3.6Å |
| 430 | I | 87 | Confident | 85.2 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.1 | -175.6 | -167.2 | 172.5 | 0 | 0 | 0 | 111.3 | C436 A437 L469 L515 M516 | I430-C436 WeakPolarHBondContact O-CA 3.37Å; I430-A437 HydrophobicContact CG2-CB 4.09Å; I430-A437 PolarHBondContact N-O 2.78Å; I430-A437 PolarHBondContact O-N 3.28Å; I430-L469 HydrophobicContact CD1-CD2 4.38Å; I430-L469 HydrophobicContact CG2-CD1 3.7Å; I430-L469 HydrophobicContact CG2-CD2 4.34Å; I430-L515 HydrophobicContact CG2-CD2 4.26Å; I430-M516 HydrophobicContact CD1-CG 3.81Å; I430-M516 HydrophobicContact CD1-SD 3.78Å; I430-M516 HydrophobicContact CG1-CG 3.33Å; I430-M516 HydrophobicContact CG1-SD 3.82Å |
| 431 | G | 89.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 146.7 | -174.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G433 E435 | G431-G433 VanDerWaalsContact C-N 3.34Å; G431-E435 CarbonylContact C-O 3.33Å; G431-E435 WeakPolarHBondContact CA-O 3.37Å |
| 432 | D | 88.6 | Confident | 85.7 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -83.1 | -10.4 | -178.2 | 77.5 | -25.9 | 0 | 0 | 0 | 113.5 | I434 E435 | D432-I434 WeakPolarHBondContact OD1-CA 3.45Å; D432-I434 PolarHBondContact OD1-N 2.78Å; D432-E435 PolarHBondContact N-O 2.98Å; D432-E435 PolarHBondContact OD1-N 3.16Å |
| 433 | G | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 101.3 | -18.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S409 A412 C423 G431 E435 C436 | S409-G433 PolarHBondContact N-O 2.91Å; A412-G433 WeakPolarHBondContact CB-O 3.41Å; C423-G433 VanDerWaalsContact CB-O 3.24Å; C423-G433 WeakPolarHBondContact CB-O 3.28Å; G431-G433 VanDerWaalsContact C-N 3.34Å; G433-E435 PolarHBondContact N-O 3.46Å; G433-C436 VanDerWaalsContact CA-SG 3.58Å |
| 434 | I | 88.1 | Confident | 85.9 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -85.2 | -51 | 166.6 | -63.5 | 170.9 | 0 | 0 | 0 | 107 | I396 S409 C423 D432 | I396-I434 HydrophobicContact CD1-CD1 4.47Å; I396-I434 HydrophobicContact CG2-CD1 3.72Å; S409-I434 WeakPolarHBondContact CB-O 3.39Å; C423-I434 HydrophobicContact CB-CG1 4.4Å; D432-I434 WeakPolarHBondContact OD1-CA 3.45Å; D432-I434 PolarHBondContact OD1-N 2.78Å |
| 435 | E | 87.4 | Confident | 86.1 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -96.6 | 133.7 | 166.7 | -58.6 | -67.5 | 174.6 | 0 | 0 | 109.3 | C425 G431 D432 G433 G519 R521 | C425-E435 PolarHBondContact SG-O 2.72Å; G431-E435 CarbonylContact C-O 3.33Å; G431-E435 WeakPolarHBondContact CA-O 3.37Å; D432-E435 PolarHBondContact N-O 2.98Å; D432-E435 PolarHBondContact OD1-N 3.16Å; G433-E435 PolarHBondContact N-O 3.46Å; E435-G519 WeakPolarHBondContact CG-O 3.33Å; E435-R521 IonicContact OE1-CZ 2.7Å; E435-R521 IonicContact OE1-NE 3.8Å; E435-R521 PolarHBondContact OE1-NE 3.03Å; E435-R521 IonicContact OE1-NH2 2.68Å; E435-R521 PolarHBondContact OE1-NH2 2.89Å |
| 436 | C | 88.5 | Confident | 86.1 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | trans | -144.5 | 109.7 | 176.9 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | A411 C425 Y429 I430 G433 | A411-C436 HydrophobicContact CB-CB 3.86Å; C425-C436 WeakPolarHBondContact CA-SG 3.46Å; C425-C436 HydrophobicContact CB-CB 4Å; C425-C436 WeakPolarHBondContact CB-SG 3.31Å; C425-C436 VanDerWaalsContact SG-CA 3.55Å; C425-C436 WeakPolarHBondContact SG-CB 3.12Å; C425-C436 CovalentContact SG-SG 2.04Å; C425-C436 PolarHBondContact SG-SG 3.03Å; Y429-C436 HydrophobicContact CD1-CB 4.37Å; I430-C436 WeakPolarHBondContact O-CA 3.37Å; G433-C436 VanDerWaalsContact CA-SG 3.58Å | ||
| 437 | A | 85.9 | Confident | 86 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 159.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y429 I430 L469 | Y429-A437 CarbonylContact C-O 3.57Å; Y429-A437 WeakPolarHBondContact CA-O 3.17Å; Y429-A437 VanDerWaalsContact CB-O 3.28Å; Y429-A437 WeakPolarHBondContact CB-O 3.34Å; Y429-A437 VanDerWaalsContact CD1-O 3.3Å; Y429-A437 WeakPolarHBondContact CD1-O 3.36Å; I430-A437 HydrophobicContact CG2-CB 4.09Å; I430-A437 PolarHBondContact N-O 2.78Å; I430-A437 PolarHBondContact O-N 3.28Å; A437-L469 HydrophobicContact CB-CD1 4.38Å |
| 438 | K | 84.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 39% | 0.391 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 148.5 | 160.3 | -57.9 | -173.8 | -147.3 | 87 | 0 | 110.2 | G428 Y429 E441 | G428-K438 WeakPolarHBondContact O-CA 3.1Å; Y429-K438 HydrophobicContact CD1-CG 4.07Å; Y429-K438 HydrophobicContact CE1-CG 3.6Å; K438-E441 HydrophobicContact CB-CB 3.82Å; K438-E441 WeakPolarHBondContact CB-OE2 3.11Å; K438-E441 VanDerWaalsContact CG-OE2 3.28Å; K438-E441 WeakPolarHBondContact CG-OE2 3.44Å; K438-E441 IonicContact NZ-OE1 3.24Å; K438-E441 PolarHBondContact NZ-OE1 2.75Å; K438-E441 IonicContact NZ-OE2 2.77Å; K438-E441 PolarHBondContact NZ-OE2 2.77Å; K438-E441 PolarHBondContact O-N 2.91Å |
| 439 | E | 76.7 | Confident | 86.7 | Confident | 102 Ų | 102 | 47.4 Ų | 47.4 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -29.9 | -177.4 | -165.6 | 172.6 | 170.4 | 0 | 0 | 113.7 | G428 L469 | G428-E439 PolarHBondContact O-N 3.07Å; E439-L469 WeakPolarHBondContact O-CB 3.42Å |
| 440 | E | 75.8 | Confident | 87 | Confident | 190 Ų | 190 | 45.7 Ų | 45.7 | 89% | 0.888 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -8.2 | 176.8 | -62 | 177.7 | 165.5 | 0 | 0 | 113.5 | ||
| 441 | E | 78.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 45.4 Ų | 45.4 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -93.4 | 125.3 | -171.5 | -173.6 | 159.8 | -138.9 | 0 | 0 | 110 | K438 Q443 | K438-E441 HydrophobicContact CB-CB 3.82Å; K438-E441 WeakPolarHBondContact CB-OE2 3.11Å; K438-E441 VanDerWaalsContact CG-OE2 3.28Å; K438-E441 WeakPolarHBondContact CG-OE2 3.44Å; K438-E441 IonicContact NZ-OE1 3.24Å; K438-E441 PolarHBondContact NZ-OE1 2.75Å; K438-E441 IonicContact NZ-OE2 2.77Å; K438-E441 PolarHBondContact NZ-OE2 2.77Å; K438-E441 PolarHBondContact O-N 2.91Å; E441-Q443 PolarHBondContact O-NE2 2.82Å |
| 442 | A | 84.7 | Confident | 87.3 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 139.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y466 A467 | A442-Y466 HydrophobicContact CB-CD2 4.33Å; A442-Y466 HydrophobicContact CB-CE1 4.23Å; A442-Y466 HydrophobicContact CB-CE2 3.44Å; A442-Y466 VanDerWaalsContact CB-CE2 3.44Å; A442-Y466 VanDerWaalsContact CB-OH 3.25Å; A442-Y466 WeakPolarHBondContact CB-OH 3.29Å; A442-A467 CarbonylContact C-O 3.55Å; A442-A467 WeakPolarHBondContact CA-O 3.45Å |
| 443 | Q | 88.2 | Confident | 87.5 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.023 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.2 | -175.7 | -56.9 | -53.2 | -56.1 | 0 | 0 | 110.5 | E441 Y466 A467 L469 F503 R545 | E441-Q443 PolarHBondContact O-NE2 2.82Å; Q443-Y466 WeakPolarHBondContact O-CA 3.41Å; Q443-A467 HydrophobicContact CB-CB 4.42Å; Q443-A467 PolarHBondContact N-O 2.7Å; Q443-A467 PolarHBondContact O-N 2.98Å; Q443-L469 HydrophobicContact CG-CD1 3.59Å; Q443-L469 HydrophobicContact CG-CG 4.1Å; Q443-F503 HydrophobicContact CB-CD1 4.27Å; Q443-F503 HydrophobicContact CB-CE1 3.86Å; Q443-F503 HydrophobicContact CB-CZ 4.43Å; Q443-F503 HydrophobicContact CG-CD1 4.36Å; Q443-F503 HydrophobicContact CG-CE1 4.18Å; Q443-R545 VanDerWaalsContact OE1-CZ 3.29Å |
| 444 | R | 90.5 | Very high | 87.6 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.3 | 172.8 | -73 | 179.2 | 175 | -174.8 | -3.7 | 109.8 | T465 Y466 Y550 I551 | R444-T465 CarbonylContact C-O 3.6Å; R444-T465 WeakPolarHBondContact CA-O 3.48Å; R444-Y466 HydrophobicContact CG-CD2 4.22Å; R444-Y550 HydrophobicContact CB-CD1 3.58Å; R444-Y550 HydrophobicContact CB-CD2 4.41Å; R444-Y550 HydrophobicContact CB-CE1 3.89Å; R444-Y550 HydrophobicContact CB-CG 3.88Å; R444-Y550 VanDerWaalsContact CD-CE1 3.41Å; R444-Y550 HydrophobicContact CG-CD1 4.42Å; R444-Y550 HydrophobicContact CG-CE1 4.25Å; R444-Y550 PolarHBondContact NH1-OH 3.28Å; R444-Y550 WeakPolarHBondContact O-CA 3.34Å; R444-I551 PolarHBondContact O-N 3.29Å |
| 445 | L | 91.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.5 | 173.8 | 167.7 | 159.9 | 0 | 0 | 0 | 109.1 | L463 T465 M499 F542 I551 C553 | L445-L463 HydrophobicContact CD2-CD1 4.19Å; L445-L463 HydrophobicContact CD2-CD2 3.87Å; L445-L463 HydrophobicContact CD2-CG 3.78Å; L445-T465 PolarHBondContact N-O 3.03Å; L445-T465 PolarHBondContact O-N 2.95Å; L445-M499 HydrophobicContact CD1-CE 3.8Å; L445-M499 HydrophobicContact CD1-SD 3.77Å; L445-M499 HydrophobicContact CD2-CE 3.68Å; L445-M499 HydrophobicContact CG-CE 4.44Å; L445-F542 HydrophobicContact CD1-CD1 3.91Å; L445-F542 HydrophobicContact CD1-CE1 3.68Å; L445-I551 CarbonylContact C-O 3.53Å; L445-I551 WeakPolarHBondContact CA-O 2.95Å; L445-I551 HydrophobicContact CB-CB 4.03Å; L445-I551 HydrophobicContact CB-CG2 4.49Å; L445-I551 WeakPolarHBondContact CB-O 2.91Å; L445-I551 HydrophobicContact CD1-CB 4.22Å; L445-I551 HydrophobicContact CD1-CG2 3.78Å; L445-I551 HydrophobicContact CG-CB 4.23Å; L445-I551 HydrophobicContact CG-CG2 4.18Å; L445-I551 VanDerWaalsContact CG-O 3.32Å; L445-I551 WeakPolarHBondContact CG-O 3.46Å; L445-C553 HydrophobicContact CD1-CB 4.1Å; L445-C553 HydrophobicContact CD2-CB 4.02Å; L445-C553 HydrophobicContact CG-CB 4.18Å |
| 446 | S | 90.1 | Very high | 87.6 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.2 | -177.5 | 54 | 0 | 0 | 0 | 0 | 111.6 | L463 I551 R552 C553 | S446-L463 CarbonylContact C-O 3.59Å; S446-L463 WeakPolarHBondContact CA-O 3.22Å; S446-I551 PolarHBondContact N-O 3.43Å; S446-R552 CarbonylContact O-C 3.44Å; S446-R552 VanDerWaalsContact O-CA 3.3Å; S446-R552 WeakPolarHBondContact O-CA 3.34Å; S446-C553 PolarHBondContact O-N 2.04Å |
| 447 | G | 89 | Confident | 87.5 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | -177.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L463 | G447-L463 PolarHBondContact N-O 2.98Å; G447-L463 PolarHBondContact O-N 3.48Å |
| 448 | K | 87.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 27% | 0.274 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.5 | 174.8 | -64.6 | -170.2 | 175.6 | -171.7 | 0 | 111.1 | E263 D460 S461 T555 | E263-K448 IonicContact OE1-NZ 2.66Å; E263-K448 IonicContact OE2-NZ 3.49Å; E263-K448 PolarHBondContact OE2-NZ 3.21Å; E263-K448 VanDerWaalsContact OE2-NZ 3.11Å; K448-D460 VanDerWaalsContact CD-OD1 3.29Å; K448-D460 WeakPolarHBondContact CD-OD1 3.41Å; K448-D460 VanDerWaalsContact CE-OD1 3.31Å; K448-D460 WeakPolarHBondContact CE-OD1 3.4Å; K448-D460 IonicContact NZ-OD1 2.7Å; K448-D460 PolarHBondContact NZ-OD1 3.4Å; K448-S461 CarbonylContact C-O 3.44Å; K448-S461 WeakPolarHBondContact CA-O 3.21Å; K448-T555 PolarHBondContact O-N 2.78Å |
| 449 | L | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.3 | 168.5 | 167 | 71.2 | 0 | 0 | 0 | 108.3 | I458 S461 F478 I481 M489 T555 V557 | L449-I458 HydrophobicContact CD2-CG2 4.11Å; L449-I458 HydrophobicContact CG-CG2 4.12Å; L449-S461 PolarHBondContact N-O 3.36Å; L449-S461 PolarHBondContact O-N 3.08Å; L449-F478 HydrophobicContact CB-CD1 3.79Å; L449-F478 HydrophobicContact CB-CE1 4.05Å; L449-F478 HydrophobicContact CD1-CE1 4.41Å; L449-F478 HydrophobicContact CD2-CB 4.37Å; L449-F478 HydrophobicContact CD2-CD1 3.57Å; L449-F478 HydrophobicContact CD2-CE1 4.09Å; L449-F478 HydrophobicContact CD2-CG 4.19Å; L449-F478 HydrophobicContact CG-CD1 4.19Å; L449-F478 HydrophobicContact CG-CE1 4.41Å; L449-I481 HydrophobicContact CD2-CD1 3.67Å; L449-M489 HydrophobicContact CD2-CE 3.89Å; L449-T555 CarbonylContact C-O 3.5Å; L449-T555 WeakPolarHBondContact CA-O 3.27Å; L449-T555 HydrophobicContact CD1-CG2 3.53Å; L449-V557 HydrophobicContact CD1-CB 4.44Å; L449-V557 HydrophobicContact CD1-CG1 3.8Å; L449-V557 HydrophobicContact CD1-CG2 3.87Å |
| 450 | T | 92.9 | Very high | 87.5 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 163.4 | 178 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | I458 T555 F556 V557 | T450-I458 CarbonylContact C-O 3.44Å; T450-I458 VanDerWaalsContact CA-O 3.27Å; T450-I458 WeakPolarHBondContact CA-O 3.33Å; T450-T555 PolarHBondContact N-O 3.18Å; T450-T555 PolarHBondContact OG1-O 3.3Å; T450-F556 CarbonylContact O-C 3.47Å; T450-F556 VanDerWaalsContact O-CA 3.28Å; T450-F556 WeakPolarHBondContact O-CA 3.01Å; T450-V557 PolarHBondContact O-N 2.71Å |
| 451 | G | 91.6 | Very high | 88 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.9 | -148.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I458 V557 | G451-I458 PolarHBondContact N-O 2.82Å; G451-I458 PolarHBondContact O-N 3.35Å; G451-V557 CarbonylContact C-O 3.54Å; G451-V557 VanDerWaalsContact CA-O 3.26Å; G451-V557 WeakPolarHBondContact CA-O 3.38Å |
| 452 | R | 92.2 | Very high | 88.5 | Confident | 136 Ų | 136 | 46.2 Ų | 46.2 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 118 | -169.9 | -158.2 | 174.3 | -175.6 | 170.1 | 2.2 | 113.8 | G455 I456 V557 S558 G559 | R452-G455 VanDerWaalsContact CZ-O 3.28Å; R452-G455 PolarHBondContact NE-O 2.78Å; R452-G455 PolarHBondContact NH2-O 3.4Å; R452-I456 CarbonylContact C-O 3.49Å; R452-I456 VanDerWaalsContact CA-O 3.31Å; R452-I456 WeakPolarHBondContact CA-O 3.37Å; R452-I456 VanDerWaalsContact CG-O 3.25Å; R452-I456 WeakPolarHBondContact CG-O 3.27Å; R452-V557 PolarHBondContact N-O 3.04Å; R452-S558 VanDerWaalsContact O-CA 3.31Å; R452-S558 WeakPolarHBondContact O-CA 3.44Å; R452-G559 PolarHBondContact O-N 2.61Å |
| 453 | L | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.2 | -177.8 | -69.8 | 178.2 | 0 | 0 | 0 | 110.3 | G455 I456 I458 I485 M489 L492 V536 V557 G559 L561 | L453-G455 PolarHBondContact O-N 3.35Å; L453-I456 PolarHBondContact N-O 2.92Å; L453-I456 WeakPolarHBondContact O-CB 3.23Å; L453-I456 PolarHBondContact O-N 3.45Å; L453-I458 HydrophobicContact CB-CD1 4.34Å; L453-I458 HydrophobicContact CD1-CD1 3.87Å; L453-I458 HydrophobicContact CG-CD1 4.18Å; L453-I485 HydrophobicContact CB-CD1 3.71Å; L453-I485 HydrophobicContact CB-CG1 3.73Å; L453-I485 HydrophobicContact CD1-CG1 4.28Å; L453-M489 HydrophobicContact CD1-CG 3.96Å; L453-M489 HydrophobicContact CD1-SD 4.27Å; L453-L492 HydrophobicContact CD1-CD1 4.02Å; L453-V536 HydrophobicContact CD2-CB 4.43Å; L453-V536 HydrophobicContact CD2-CG1 3.78Å; L453-V536 HydrophobicContact CD2-CG2 3.79Å; L453-V557 HydrophobicContact CD1-CB 4.27Å; L453-V557 HydrophobicContact CD1-CG2 3.87Å; L453-V557 HydrophobicContact CD2-CB 4.32Å; L453-V557 HydrophobicContact CD2-CG2 4.49Å; L453-V557 HydrophobicContact CG-CB 4.31Å; L453-V557 HydrophobicContact CG-CG2 3.94Å; L453-G559 WeakPolarHBondContact CA-O 3.36Å; L453-L561 HydrophobicContact CD1-CD1 4.05Å |
| 454 | N | 91.1 | Very high | 89 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 20 | -172.9 | -70.7 | -9.5 | 0 | 0 | 0 | 114.9 | I456 I485 G559 S560 L561 | N454-I456 VanDerWaalsContact C-N 3.29Å; N454-I456 HydrophobicContact CB-CD1 4.35Å; N454-I485 HydrophobicContact CB-CD1 3.84Å; N454-G559 PolarHBondContact N-O 3.48Å; N454-S560 WeakPolarHBondContact OD1-CA 3.28Å; N454-S560 WeakPolarHBondContact OD1-CB 3.33Å; N454-L561 PolarHBondContact ND2-O 3.4Å; N454-L561 PolarHBondContact OD1-N 2.86Å; N454-L561 PolarHBondContact OD1-O 3.32Å; N454-L561 VanDerWaalsContact OD1-O 3.05Å |
| 455 | G | 84.5 | Confident | 89.1 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -9.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R452 L453 | R452-G455 VanDerWaalsContact CZ-O 3.28Å; R452-G455 PolarHBondContact NE-O 2.78Å; R452-G455 PolarHBondContact NH2-O 3.4Å; L453-G455 PolarHBondContact O-N 3.35Å |
| 456 | I | 89.6 | Confident | 89.1 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135 | 170.6 | -59.4 | 141.8 | 0 | 0 | 0 | 108.4 | R452 L453 N454 P482 E484 I485 | R452-I456 CarbonylContact C-O 3.49Å; R452-I456 VanDerWaalsContact CA-O 3.31Å; R452-I456 WeakPolarHBondContact CA-O 3.37Å; R452-I456 VanDerWaalsContact CG-O 3.25Å; R452-I456 WeakPolarHBondContact CG-O 3.27Å; L453-I456 PolarHBondContact N-O 2.92Å; L453-I456 WeakPolarHBondContact O-CB 3.23Å; L453-I456 PolarHBondContact O-N 3.45Å; N454-I456 VanDerWaalsContact C-N 3.29Å; N454-I456 HydrophobicContact CB-CD1 4.35Å; I456-P482 HydrophobicContact CG2-CB 3.86Å; I456-P482 HydrophobicContact CG2-CG 4.07Å; I456-E484 HydrophobicContact CD1-CB 3.54Å; I456-E484 HydrophobicContact CG1-CB 4.18Å; I456-I485 HydrophobicContact CD1-CB 4.14Å; I456-I485 HydrophobicContact CD1-CD1 4.15Å |
| 457 | E | 87.9 | Confident | 89.2 | Confident | 125 Ų | 125 | 46.5 Ų | 46.5 | 58% | 0.584 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.1 | 179.9 | -161.5 | 158.8 | -175.2 | 0 | 0 | 110.7 | V459 | E457-V459 HydrophobicContact CG-CG2 3.92Å |
| 458 | I | 90.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.1 | -176.1 | -58.5 | 179 | 0 | 0 | 0 | 106.3 | L449 T450 G451 L453 S461 I481 I485 M489 V557 | L449-I458 HydrophobicContact CD2-CG2 4.11Å; L449-I458 HydrophobicContact CG-CG2 4.12Å; T450-I458 CarbonylContact C-O 3.44Å; T450-I458 VanDerWaalsContact CA-O 3.27Å; T450-I458 WeakPolarHBondContact CA-O 3.33Å; G451-I458 PolarHBondContact N-O 2.82Å; G451-I458 PolarHBondContact O-N 3.35Å; L453-I458 HydrophobicContact CB-CD1 4.34Å; L453-I458 HydrophobicContact CD1-CD1 3.87Å; L453-I458 HydrophobicContact CG-CD1 4.18Å; I458-S461 WeakPolarHBondContact CG2-OG 3.26Å; I458-I481 HydrophobicContact CG2-CD1 4.43Å; I458-I485 HydrophobicContact CD1-CG2 4.05Å; I458-I485 HydrophobicContact CG1-CG2 4.42Å; I458-M489 HydrophobicContact CD1-SD 4.02Å; I458-V557 HydrophobicContact CD1-CG2 4.16Å |
| 459 | V | 82.2 | Confident | 88.9 | Confident | 89 Ų | 89 | 44.7 Ų | 44.7 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.9 | -171.7 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | E457 S461 | E457-V459 HydrophobicContact CG-CG2 3.92Å; V459-S461 PolarHBondContact O-N 2.95Å |
| 460 | D | 73.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 24.9 | 179.2 | -73.9 | -73.8 | 0 | 0 | 0 | 116.9 | K448 R480 | K448-D460 VanDerWaalsContact CD-OD1 3.29Å; K448-D460 WeakPolarHBondContact CD-OD1 3.41Å; K448-D460 VanDerWaalsContact CE-OD1 3.31Å; K448-D460 WeakPolarHBondContact CE-OD1 3.4Å; K448-D460 IonicContact NZ-OD1 2.7Å; K448-D460 PolarHBondContact NZ-OD1 3.4Å; D460-R480 VanDerWaalsContact O-CZ 3.23Å; D460-R480 PolarHBondContact O-NE 2.82Å; D460-R480 PolarHBondContact O-NH2 3Å |
| 461 | S | 85.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133 | 170.5 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | K448 L449 I458 V459 S479 R480 | K448-S461 CarbonylContact C-O 3.44Å; K448-S461 WeakPolarHBondContact CA-O 3.21Å; L449-S461 PolarHBondContact N-O 3.36Å; L449-S461 PolarHBondContact O-N 3.08Å; I458-S461 WeakPolarHBondContact CG2-OG 3.26Å; V459-S461 PolarHBondContact O-N 2.95Å; S461-S479 CarbonylContact C-O 3.59Å; S461-S479 WeakPolarHBondContact CA-O 3.34Å; S461-S479 WeakPolarHBondContact CB-O 3.35Å; S461-R480 PolarHBondContact OG-O 2.82Å |
| 462 | E | 89.7 | Confident | 87.1 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.6 | -173.7 | -48.6 | -175.8 | 168.2 | 0 | 0 | 112.7 | H464 F478 S479 R480 | E462-H464 IonicContact OE2-CD2 3.11Å; E462-H464 IonicContact OE2-CE1 3.67Å; E462-H464 IonicContact OE2-NE2 2.73Å; E462-H464 PolarHBondContact OE2-NE2 3.42Å; E462-F478 CarbonylContact O-C 3.45Å; E462-F478 WeakPolarHBondContact O-CA 3.13Å; E462-S479 WeakPolarHBondContact CB-OG 3.16Å; E462-S479 PolarHBondContact N-O 2.8Å; E462-S479 PolarHBondContact O-N 2.8Å; E462-R480 VanDerWaalsContact CD-NH2 3.34Å; E462-R480 IonicContact OE1-CZ 3.7Å; E462-R480 IonicContact OE1-NH1 3.66Å; E462-R480 PolarHBondContact OE1-NH1 2.92Å; E462-R480 IonicContact OE1-NH2 3.83Å; E462-R480 PolarHBondContact OE1-NH2 2.98Å |
| 463 | L | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.9 | 169.4 | 167.8 | 53.3 | 0 | 0 | 0 | 109.7 | L445 S446 G447 T476 A477 F478 M499 C553 | L445-L463 HydrophobicContact CD2-CD1 4.19Å; L445-L463 HydrophobicContact CD2-CD2 3.87Å; L445-L463 HydrophobicContact CD2-CG 3.78Å; S446-L463 CarbonylContact C-O 3.59Å; S446-L463 WeakPolarHBondContact CA-O 3.22Å; G447-L463 PolarHBondContact N-O 2.98Å; G447-L463 PolarHBondContact O-N 3.48Å; L463-T476 HydrophobicContact CD1-CG2 3.59Å; L463-A477 WeakPolarHBondContact CA-O 3.33Å; L463-F478 HydrophobicContact CB-CD1 3.93Å; L463-F478 HydrophobicContact CB-CE1 3.78Å; L463-F478 HydrophobicContact CD1-CD1 4.25Å; L463-F478 HydrophobicContact CD1-CE1 3.78Å; L463-F478 HydrophobicContact CD1-CE2 4.08Å; L463-F478 HydrophobicContact CD1-CZ 3.69Å; L463-F478 HydrophobicContact CD2-CE1 4.06Å; L463-F478 HydrophobicContact CD2-CZ 4.28Å; L463-F478 HydrophobicContact CG-CE1 4.07Å; L463-F478 HydrophobicContact CG-CZ 4.39Å; L463-M499 HydrophobicContact CD1-CE 4.36Å; L463-M499 HydrophobicContact CD2-CE 4.2Å; L463-C553 HydrophobicContact CD2-CB 4.05Å |
| 464 | H | 91.4 | Very high | 87 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130 | 170.5 | -67.4 | -88.4 | 0 | 0 | 0 | 110.5 | E462 T476 A477 | E462-H464 IonicContact OE2-CD2 3.11Å; E462-H464 IonicContact OE2-CE1 3.67Å; E462-H464 IonicContact OE2-NE2 2.73Å; E462-H464 PolarHBondContact OE2-NE2 3.42Å; H464-T476 CarbonylContact O-C 3.48Å; H464-T476 WeakPolarHBondContact O-CA 3.44Å; H464-A477 PolarHBondContact N-O 3.08Å; H464-A477 PolarHBondContact O-N 2.77Å |
| 465 | T | 92.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.1 | 177.1 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | R444 L445 Y475 T476 M499 | R444-T465 CarbonylContact C-O 3.6Å; R444-T465 WeakPolarHBondContact CA-O 3.48Å; L445-T465 PolarHBondContact N-O 3.03Å; L445-T465 PolarHBondContact O-N 2.95Å; T465-Y475 CarbonylContact C-O 3.58Å; T465-Y475 WeakPolarHBondContact CA-O 3.25Å; T465-Y475 WeakPolarHBondContact CG2-O 3.45Å; T465-T476 WeakPolarHBondContact CG2-OG1 2.88Å; T465-T476 WeakPolarHBondContact OG1-CB 3.22Å; T465-T476 WeakPolarHBondContact OG1-CG2 3.5Å; T465-T476 PolarHBondContact OG1-OG1 2.92Å; T465-M499 HydrophobicContact CG2-CB 4.33Å; T465-M499 HydrophobicContact CG2-CG 4.06Å; T465-M499 HydrophobicContact CG2-SD 4.41Å |
| 466 | Y | 92.3 | Very high | 87.5 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 43% | 0.427 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.3 | 171.4 | -177.6 | -101.6 | 0 | 0 | 0 | 110.1 | A442 Q443 R444 V468 Y475 | A442-Y466 HydrophobicContact CB-CD2 4.33Å; A442-Y466 HydrophobicContact CB-CE1 4.23Å; A442-Y466 HydrophobicContact CB-CE2 3.44Å; A442-Y466 VanDerWaalsContact CB-CE2 3.44Å; A442-Y466 VanDerWaalsContact CB-OH 3.25Å; A442-Y466 WeakPolarHBondContact CB-OH 3.29Å; Q443-Y466 WeakPolarHBondContact O-CA 3.41Å; R444-Y466 HydrophobicContact CG-CD2 4.22Å; Y466-V468 HydrophobicContact CD1-CG2 4.37Å; Y466-V468 HydrophobicContact CE1-CG2 3.76Å; Y466-Y475 HydrophobicContact CD1-CD2 4.27Å; Y466-Y475 PolarHBondContact N-O 2.87Å; Y466-Y475 PolarHBondContact O-N 2.75Å |
| 467 | A | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A442 Q443 R473 T474 F503 | A442-A467 CarbonylContact C-O 3.55Å; A442-A467 WeakPolarHBondContact CA-O 3.45Å; Q443-A467 HydrophobicContact CB-CB 4.42Å; Q443-A467 PolarHBondContact N-O 2.7Å; Q443-A467 PolarHBondContact O-N 2.98Å; A467-R473 CarbonylContact C-O 3.57Å; A467-R473 WeakPolarHBondContact CA-O 3.32Å; A467-T474 HydrophobicContact CB-CG2 3.93Å; A467-F503 HydrophobicContact CB-CB 3.82Å; A467-F503 HydrophobicContact CB-CD1 4.08Å; A467-F503 HydrophobicContact CB-CD2 3.51Å; A467-F503 HydrophobicContact CB-CE2 4.06Å; A467-F503 HydrophobicContact CB-CG 3.53Å |
| 468 | V | 87.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 95.7 | -178.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | Y466 A470 D471 G472 R473 | Y466-V468 HydrophobicContact CD1-CG2 4.37Å; Y466-V468 HydrophobicContact CE1-CG2 3.76Å; V468-A470 VanDerWaalsContact C-N 3.25Å; V468-A470 PolarHBondContact O-N 2.82Å; V468-D471 PolarHBondContact O-N 2.82Å; V468-G472 WeakPolarHBondContact O-CA 3.17Å; V468-G472 PolarHBondContact O-N 2.94Å; V468-R473 PolarHBondContact N-O 2.67Å; V468-R473 PolarHBondContact O-N 3.16Å |
| 469 | L | 82.6 | Confident | 88 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.9 | -175.7 | -73.4 | 162.2 | 0 | 0 | 0 | 113.9 | I430 A437 E439 Q443 D471 F503 L515 | I430-L469 HydrophobicContact CD1-CD2 4.38Å; I430-L469 HydrophobicContact CG2-CD1 3.7Å; I430-L469 HydrophobicContact CG2-CD2 4.34Å; A437-L469 HydrophobicContact CB-CD1 4.38Å; E439-L469 WeakPolarHBondContact O-CB 3.42Å; Q443-L469 HydrophobicContact CG-CD1 3.59Å; Q443-L469 HydrophobicContact CG-CG 4.1Å; L469-D471 VanDerWaalsContact C-N 3.26Å; L469-D471 PolarHBondContact O-N 2.88Å; L469-F503 HydrophobicContact CD2-CB 4.27Å; L469-F503 HydrophobicContact CD2-CD1 4.17Å; L469-L515 HydrophobicContact CD2-CD2 4.19Å |
| 470 | A | 76.9 | Confident | 88.3 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V468 K505 | V468-A470 VanDerWaalsContact C-N 3.25Å; V468-A470 PolarHBondContact O-N 2.82Å; A470-K505 WeakPolarHBondContact O-CD 3.21Å; A470-K505 WeakPolarHBondContact O-CE 3.14Å; A470-K505 PolarHBondContact O-NZ 3.34Å |
| 471 | D | 78.7 | Confident | 89.2 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | -1.5 | 175.8 | 60.1 | 42.1 | 0 | 0 | 0 | 114.2 | V468 L469 R473 | V468-D471 PolarHBondContact O-N 2.82Å; L469-D471 VanDerWaalsContact C-N 3.26Å; L469-D471 PolarHBondContact O-N 2.88Å; D471-R473 VanDerWaalsContact C-N 3.31Å; D471-R473 PolarHBondContact O-N 2.91Å; D471-R473 VanDerWaalsContact OD1-CB 3.31Å; D471-R473 WeakPolarHBondContact OD1-CB 3.31Å; D471-R473 VanDerWaalsContact OD1-CG 3.25Å; D471-R473 WeakPolarHBondContact OD1-CG 3.33Å; D471-R473 IonicContact OD1-CZ 2.77Å; D471-R473 PolarHBondContact OD1-N 3.02Å; D471-R473 VanDerWaalsContact OD1-N 3.16Å; D471-R473 IonicContact OD1-NE 2.71Å; D471-R473 PolarHBondContact OD1-NE 2.75Å; D471-R473 IonicContact OD1-NH2 3.51Å; D471-R473 IonicContact OD2-CZ 2.91Å; D471-R473 VanDerWaalsContact OD2-CZ 3.3Å; D471-R473 IonicContact OD2-NE 3.42Å; D471-R473 PolarHBondContact OD2-NE 2.81Å; D471-R473 IonicContact OD2-NH2 2.83Å; D471-R473 PolarHBondContact OD2-NH2 3.39Å |
| 472 | G | 85.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V468 N650 | V468-G472 WeakPolarHBondContact O-CA 3.17Å; V468-G472 PolarHBondContact O-N 2.94Å; G472-N650 WeakPolarHBondContact CA-O 3.5Å; G472-N650 WeakPolarHBondContact O-CB 3.44Å; G472-N650 PolarHBondContact O-N 3.37Å; G472-N650 PolarHBondContact O-ND2 2.83Å |
| 473 | R | 89.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 38.2 Ų | 38.2 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.6 | 176.7 | -71.7 | 179.4 | -67 | 158.9 | -10.1 | 111.9 | A467 V468 D471 Y475 S648 | A467-R473 CarbonylContact C-O 3.57Å; A467-R473 WeakPolarHBondContact CA-O 3.32Å; V468-R473 PolarHBondContact N-O 2.67Å; V468-R473 PolarHBondContact O-N 3.16Å; D471-R473 VanDerWaalsContact C-N 3.31Å; D471-R473 PolarHBondContact O-N 2.91Å; D471-R473 VanDerWaalsContact OD1-CB 3.31Å; D471-R473 WeakPolarHBondContact OD1-CB 3.31Å; D471-R473 VanDerWaalsContact OD1-CG 3.25Å; D471-R473 WeakPolarHBondContact OD1-CG 3.33Å; D471-R473 IonicContact OD1-CZ 2.77Å; D471-R473 PolarHBondContact OD1-N 3.02Å; D471-R473 VanDerWaalsContact OD1-N 3.16Å; D471-R473 IonicContact OD1-NE 2.71Å; D471-R473 PolarHBondContact OD1-NE 2.75Å; D471-R473 IonicContact OD1-NH2 3.51Å; D471-R473 IonicContact OD2-CZ 2.91Å; D471-R473 VanDerWaalsContact OD2-CZ 3.3Å; D471-R473 IonicContact OD2-NE 3.42Å; D471-R473 PolarHBondContact OD2-NE 2.81Å; D471-R473 IonicContact OD2-NH2 2.83Å; D471-R473 PolarHBondContact OD2-NH2 3.39Å; R473-Y475 HydrophobicContact CB-CE2 4.02Å; R473-Y475 PolarHBondContact NH1-OH 2.91Å; R473-S648 WeakPolarHBondContact CA-O 3.49Å |
| 474 | T | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.4 | 175.7 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | A467 M499 F503 A647 S648 N650 | A467-T474 HydrophobicContact CB-CG2 3.93Å; T474-M499 HydrophobicContact CG2-CB 4.08Å; T474-F503 HydrophobicContact CG2-CB 4Å; T474-F503 HydrophobicContact CG2-CD2 4.09Å; T474-A647 WeakPolarHBondContact O-CA 3.47Å; T474-A647 WeakPolarHBondContact O-CB 3.43Å; T474-S648 PolarHBondContact N-O 2.86Å; T474-S648 PolarHBondContact O-N 3.38Å; T474-S648 VanDerWaalsContact O-N 3.1Å; T474-S648 PolarHBondContact OG1-OG 3.14Å; T474-N650 PolarHBondContact OG1-ND2 2.71Å |
| 475 | Y | 92.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 40.3 Ų | 40.3 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.7 | 175.2 | -57.1 | -90.3 | 0 | 0 | 0 | 107.8 | T465 Y466 R473 A647 | T465-Y475 CarbonylContact C-O 3.58Å; T465-Y475 WeakPolarHBondContact CA-O 3.25Å; T465-Y475 WeakPolarHBondContact CG2-O 3.45Å; Y466-Y475 HydrophobicContact CD1-CD2 4.27Å; Y466-Y475 PolarHBondContact N-O 2.87Å; Y466-Y475 PolarHBondContact O-N 2.75Å; R473-Y475 HydrophobicContact CB-CE2 4.02Å; R473-Y475 PolarHBondContact NH1-OH 2.91Å; Y475-A647 HydrophobicContact CD1-CB 3.58Å; Y475-A647 HydrophobicContact CE1-CB 4.12Å; Y475-A647 HydrophobicContact CG-CB 4.28Å |
| 476 | T | 93.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.5 | -176.3 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | L463 H464 T465 F478 R645 Y646 | L463-T476 HydrophobicContact CD1-CG2 3.59Å; H464-T476 CarbonylContact O-C 3.48Å; H464-T476 WeakPolarHBondContact O-CA 3.44Å; T465-T476 WeakPolarHBondContact CG2-OG1 2.88Å; T465-T476 WeakPolarHBondContact OG1-CB 3.22Å; T465-T476 WeakPolarHBondContact OG1-CG2 3.5Å; T465-T476 PolarHBondContact OG1-OG1 2.92Å; T476-F478 HydrophobicContact CG2-CD2 4.29Å; T476-F478 HydrophobicContact CG2-CE2 3.76Å; T476-F478 HydrophobicContact CG2-CZ 4.43Å; T476-R645 CarbonylContact O-C 3.5Å; T476-R645 VanDerWaalsContact O-CA 3.31Å; T476-R645 WeakPolarHBondContact O-CA 3.46Å; T476-Y646 HydrophobicContact CG2-CD2 4.42Å; T476-Y646 PolarHBondContact N-O 2.69Å; T476-Y646 PolarHBondContact O-N 3.22Å; T476-Y646 VanDerWaalsContact O-O 3.11Å |
| 477 | A | 92.7 | Very high | 88.7 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L463 H464 I643 V644 R645 | L463-A477 WeakPolarHBondContact CA-O 3.33Å; H464-A477 PolarHBondContact N-O 3.08Å; H464-A477 PolarHBondContact O-N 2.77Å; A477-I643 HydrophobicContact CB-CG2 3.81Å; A477-V644 CarbonylContact C-O 3.59Å; A477-V644 WeakPolarHBondContact CA-O 2.97Å; A477-R645 HydrophobicContact CB-CG 4.22Å |
| 478 | F | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.9 | 167.2 | -65.5 | -94.6 | 0 | 0 | 0 | 107.9 | L449 E462 L463 T476 I481 L495 I643 V644 Y646 | L449-F478 HydrophobicContact CB-CD1 3.79Å; L449-F478 HydrophobicContact CB-CE1 4.05Å; L449-F478 HydrophobicContact CD1-CE1 4.41Å; L449-F478 HydrophobicContact CD2-CB 4.37Å; L449-F478 HydrophobicContact CD2-CD1 3.57Å; L449-F478 HydrophobicContact CD2-CE1 4.09Å; L449-F478 HydrophobicContact CD2-CG 4.19Å; L449-F478 HydrophobicContact CG-CD1 4.19Å; L449-F478 HydrophobicContact CG-CE1 4.41Å; E462-F478 CarbonylContact O-C 3.45Å; E462-F478 WeakPolarHBondContact O-CA 3.13Å; L463-F478 HydrophobicContact CB-CD1 3.93Å; L463-F478 HydrophobicContact CB-CE1 3.78Å; L463-F478 HydrophobicContact CD1-CD1 4.25Å; L463-F478 HydrophobicContact CD1-CE1 3.78Å; L463-F478 HydrophobicContact CD1-CE2 4.08Å; L463-F478 HydrophobicContact CD1-CZ 3.69Å; L463-F478 HydrophobicContact CD2-CE1 4.06Å; L463-F478 HydrophobicContact CD2-CZ 4.28Å; L463-F478 HydrophobicContact CG-CE1 4.07Å; L463-F478 HydrophobicContact CG-CZ 4.39Å; T476-F478 HydrophobicContact CG2-CD2 4.29Å; T476-F478 HydrophobicContact CG2-CE2 3.76Å; T476-F478 HydrophobicContact CG2-CZ 4.43Å; F478-I481 HydrophobicContact CB-CD1 3.97Å; F478-I481 HydrophobicContact CB-CG1 4.1Å; F478-I481 WeakPolarHBondContact O-CG1 3.15Å; F478-L495 HydrophobicContact CE2-CB 3.85Å; F478-L495 HydrophobicContact CE2-CD1 4.16Å; F478-L495 HydrophobicContact CE2-CG 4.47Å; F478-L495 HydrophobicContact CZ-CB 3.93Å; F478-L495 HydrophobicContact CZ-CD1 4.19Å; F478-L495 HydrophobicContact CZ-CD2 4.09Å; F478-L495 HydrophobicContact CZ-CG 4.3Å; F478-I643 CarbonylContact O-C 3.58Å; F478-I643 VanDerWaalsContact O-CA 3.27Å; F478-I643 WeakPolarHBondContact O-CA 3.25Å; F478-I643 WeakPolarHBondContact O-CG2 3.23Å; F478-V644 PolarHBondContact N-O 3.15Å; F478-V644 PolarHBondContact O-N 2.71Å; F478-Y646 HydrophobicContact CD2-CD2 4.11Å; F478-Y646 AromaticContact CD2-CE2 3.73Å; F478-Y646 HydrophobicContact CD2-CE2 3.73Å; F478-Y646 AromaticContact CE2-CD2 3.96Å; F478-Y646 HydrophobicContact CE2-CD2 3.96Å; F478-Y646 AromaticContact CE2-CE2 3.67Å; F478-Y646 HydrophobicContact CE2-CE2 3.67Å |
| 479 | S | 91.2 | Very high | 89 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | trans | -93.5 | 169 | 179.4 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | S461 E462 I481 | S461-S479 CarbonylContact C-O 3.59Å; S461-S479 WeakPolarHBondContact CA-O 3.34Å; S461-S479 WeakPolarHBondContact CB-O 3.35Å; E462-S479 WeakPolarHBondContact CB-OG 3.16Å; E462-S479 PolarHBondContact N-O 2.8Å; E462-S479 PolarHBondContact O-N 2.8Å; S479-I481 VanDerWaalsContact C-N 3.33Å; S479-I481 PolarHBondContact O-N 3.43Å | ||
| 480 | R | 89.5 | Confident | 89.5 | Confident | 117 Ų | 117 | 33.6 Ų | 33.6 | 44% | 0.442 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 53.7 | 47.5 | -177.7 | -52.2 | -167.6 | -74.3 | -110.8 | 4.2 | 111.8 | D460 S461 E462 Q642 | D460-R480 VanDerWaalsContact O-CZ 3.23Å; D460-R480 PolarHBondContact O-NE 2.82Å; D460-R480 PolarHBondContact O-NH2 3Å; S461-R480 PolarHBondContact OG-O 2.82Å; E462-R480 VanDerWaalsContact CD-NH2 3.34Å; E462-R480 IonicContact OE1-CZ 3.7Å; E462-R480 IonicContact OE1-NH1 3.66Å; E462-R480 PolarHBondContact OE1-NH1 2.92Å; E462-R480 IonicContact OE1-NH2 3.83Å; E462-R480 PolarHBondContact OE1-NH2 2.98Å; R480-Q642 PolarHBondContact N-O 2.82Å |
| 481 | I | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -95.6 | 123.7 | 177.4 | -60.1 | -66.7 | 0 | 0 | 0 | 110.3 | L449 I458 F478 S479 Q483 I485 M489 Y637 Q642 V644 | L449-I481 HydrophobicContact CD2-CD1 3.67Å; I458-I481 HydrophobicContact CG2-CD1 4.43Å; F478-I481 HydrophobicContact CB-CD1 3.97Å; F478-I481 HydrophobicContact CB-CG1 4.1Å; F478-I481 WeakPolarHBondContact O-CG1 3.15Å; S479-I481 VanDerWaalsContact C-N 3.33Å; S479-I481 PolarHBondContact O-N 3.43Å; I481-Q483 PolarHBondContact O-N 2.88Å; I481-I485 HydrophobicContact CG2-CG2 3.93Å; I481-M489 HydrophobicContact CD1-CE 4.31Å; I481-M489 HydrophobicContact CD1-SD 4.01Å; I481-M489 HydrophobicContact CG2-SD 3.73Å; I481-Y637 HydrophobicContact CB-CE2 4.29Å; I481-Y637 HydrophobicContact CG2-CE2 4.33Å; I481-Y637 PolarHBondContact O-OH 2.76Å; I481-Y637 VanDerWaalsContact O-OH 3.06Å; I481-Q642 PolarHBondContact N-O 2.9Å; I481-V644 HydrophobicContact CB-CG2 4.21Å; I481-V644 HydrophobicContact CG1-CB 4.48Å; I481-V644 HydrophobicContact CG1-CG2 4.02Å; I481-V644 HydrophobicContact CG2-CG2 3.89Å | ||
| 482 | P | 88.1 | Confident | 90.8 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 18% | 0.175 | 13% | 0.131 | C | C | . | . | trans | -52.6 | 136.7 | 177.6 | -25.3 | 32.8 | 0 | 0 | 0 | 112.6 | I456 E484 I485 G486 | I456-P482 HydrophobicContact CG2-CB 3.86Å; I456-P482 HydrophobicContact CG2-CG 4.07Å; P482-E484 WeakPolarHBondContact CB-OE2 2.89Å; P482-E484 PolarHBondContact O-N 2.94Å; P482-I485 HydrophobicContact CB-CG2 4.18Å; P482-I485 HydrophobicContact CG-CG2 4.43Å; P482-I485 WeakPolarHBondContact O-CG2 3.36Å; P482-I485 PolarHBondContact O-N 3.45Å; P482-I485 VanDerWaalsContact O-N 3.08Å; P482-G486 PolarHBondContact O-N 3.35Å | ||
| 483 | Q | 85.9 | Confident | 91 | Very high | 93 Ų | 93 | 29.2 Ų | 29.2 | 44% | 0.435 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -27.6 | -173.4 | -66.1 | -175.3 | -24.6 | 0 | 0 | 112.4 | I481 I485 P487 Y637 L639 Q642 | I481-Q483 PolarHBondContact O-N 2.88Å; Q483-I485 PolarHBondContact O-N 3.06Å; Q483-P487 VanDerWaalsContact O-CD 3.26Å; Q483-P487 WeakPolarHBondContact O-CD 3.35Å; Q483-Y637 WeakPolarHBondContact CA-OH 3.48Å; Q483-L639 HydrophobicContact CB-CD1 4.02Å; Q483-L639 HydrophobicContact CG-CD1 3.75Å; Q483-L639 PolarHBondContact NE2-O 3.3Å; Q483-L639 VanDerWaalsContact NE2-O 3.08Å; Q483-Q642 HydrophobicContact CG-CG 4.28Å |
| 484 | E | 85.5 | Confident | 91 | Very high | 134 Ų | 134 | 25 Ų | 25 | 63% | 0.626 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.3 | 177.3 | -48.6 | 86 | 165.6 | 0 | 0 | 112.9 | I456 P482 | I456-E484 HydrophobicContact CD1-CB 3.54Å; I456-E484 HydrophobicContact CG1-CB 4.18Å; P482-E484 WeakPolarHBondContact CB-OE2 2.89Å; P482-E484 PolarHBondContact O-N 2.94Å |
| 485 | I | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -22.1 | 178 | -155.6 | 72.3 | 0 | 0 | 0 | 114.2 | L453 N454 I456 I458 I481 P482 Q483 S488 M489 | L453-I485 HydrophobicContact CB-CD1 3.71Å; L453-I485 HydrophobicContact CB-CG1 3.73Å; L453-I485 HydrophobicContact CD1-CG1 4.28Å; N454-I485 HydrophobicContact CB-CD1 3.84Å; I456-I485 HydrophobicContact CD1-CB 4.14Å; I456-I485 HydrophobicContact CD1-CD1 4.15Å; I458-I485 HydrophobicContact CD1-CG2 4.05Å; I458-I485 HydrophobicContact CG1-CG2 4.42Å; I481-I485 HydrophobicContact CG2-CG2 3.93Å; P482-I485 HydrophobicContact CB-CG2 4.18Å; P482-I485 HydrophobicContact CG-CG2 4.43Å; P482-I485 WeakPolarHBondContact O-CG2 3.36Å; P482-I485 PolarHBondContact O-N 3.45Å; P482-I485 VanDerWaalsContact O-N 3.08Å; Q483-I485 PolarHBondContact O-N 3.06Å; I485-S488 CarbonylContact O-C 3.59Å; I485-S488 WeakPolarHBondContact O-CA 3.14Å; I485-S488 WeakPolarHBondContact O-CB 3.14Å; I485-S488 PolarHBondContact O-N 3.47Å; I485-M489 HydrophobicContact CG1-CG 4.01Å; I485-M489 HydrophobicContact CG2-CG 4.35Å; I485-M489 HydrophobicContact CG2-SD 4.15Å; I485-M489 PolarHBondContact O-N 2.91Å |
| 486 | G | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -47.7 | -50.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P482 M489 | P482-G486 PolarHBondContact O-N 3.35Å; G486-M489 PolarHBondContact O-N 3.34Å |
| 487 | P | 90 | Very high | 90.3 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 175 | -22 | 33.6 | 0 | 0 | 0 | 112.5 | Q483 M489 L490 V564 P566 Y637 | Q483-P487 VanDerWaalsContact O-CD 3.26Å; Q483-P487 WeakPolarHBondContact O-CD 3.35Å; P487-M489 VanDerWaalsContact C-N 3.28Å; P487-M489 PolarHBondContact O-N 3.46Å; P487-L490 VanDerWaalsContact O-CB 3.31Å; P487-L490 WeakPolarHBondContact O-CB 3.01Å; P487-L490 VanDerWaalsContact O-CG 3.26Å; P487-L490 WeakPolarHBondContact O-CG 3.35Å; P487-L490 PolarHBondContact O-N 3.06Å; P487-L490 VanDerWaalsContact O-N 3.15Å; P487-V564 HydrophobicContact CB-CB 4.13Å; P487-V564 HydrophobicContact CB-CG1 4.14Å; P487-V564 WeakPolarHBondContact CB-O 3.47Å; P487-P566 HydrophobicContact CG-CB 4.07Å; P487-P566 HydrophobicContact CG-CG 4.09Å; P487-Y637 HydrophobicContact CG-CD1 3.89Å; P487-Y637 HydrophobicContact CG-CE1 4.32Å |
| 488 | S | 92.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.9 | -37 | 179.4 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | I485 L490 L491 P562 | I485-S488 CarbonylContact O-C 3.59Å; I485-S488 WeakPolarHBondContact O-CA 3.14Å; I485-S488 WeakPolarHBondContact O-CB 3.14Å; I485-S488 PolarHBondContact O-N 3.47Å; S488-L490 PolarHBondContact O-N 2.76Å; S488-L490 VanDerWaalsContact O-N 3.16Å; S488-L491 PolarHBondContact O-N 3.08Å; S488-P562 WeakPolarHBondContact CB-O 3.08Å; S488-P562 PolarHBondContact OG-O 3.11Å |
| 489 | M | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.2 | -20.3 | 177.7 | -78.9 | -169.2 | 68.5 | 0 | 0 | 113.6 | L449 L453 I458 I481 I485 G486 P487 L491 L492 L495 L561 V644 Y646 | L449-M489 HydrophobicContact CD2-CE 3.89Å; L453-M489 HydrophobicContact CD1-CG 3.96Å; L453-M489 HydrophobicContact CD1-SD 4.27Å; I458-M489 HydrophobicContact CD1-SD 4.02Å; I481-M489 HydrophobicContact CD1-CE 4.31Å; I481-M489 HydrophobicContact CD1-SD 4.01Å; I481-M489 HydrophobicContact CG2-SD 3.73Å; I485-M489 HydrophobicContact CG1-CG 4.01Å; I485-M489 HydrophobicContact CG2-CG 4.35Å; I485-M489 HydrophobicContact CG2-SD 4.15Å; I485-M489 PolarHBondContact O-N 2.91Å; G486-M489 PolarHBondContact O-N 3.34Å; P487-M489 VanDerWaalsContact C-N 3.28Å; P487-M489 PolarHBondContact O-N 3.46Å; M489-L491 PolarHBondContact O-N 3Å; M489-L491 VanDerWaalsContact O-N 3.09Å; M489-L492 WeakPolarHBondContact O-CA 3.01Å; M489-L492 VanDerWaalsContact O-CB 3.3Å; M489-L492 WeakPolarHBondContact O-CB 3.42Å; M489-L492 PolarHBondContact O-N 3.09Å; M489-L495 HydrophobicContact CE-CD1 3.91Å; M489-L561 HydrophobicContact CG-CD1 4.49Å; M489-V644 HydrophobicContact CB-CG1 4.49Å; M489-V644 HydrophobicContact CB-CG2 4.09Å; M489-V644 HydrophobicContact SD-CG2 4.49Å; M489-Y646 PolarHBondContact O-OH 2.82Å |
| 490 | L | 91.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.8 | 178.1 | -58.1 | 177.1 | 0 | 0 | 0 | 113.4 | P487 S488 L492 V570 V644 | P487-L490 VanDerWaalsContact O-CB 3.31Å; P487-L490 WeakPolarHBondContact O-CB 3.01Å; P487-L490 VanDerWaalsContact O-CG 3.26Å; P487-L490 WeakPolarHBondContact O-CG 3.35Å; P487-L490 PolarHBondContact O-N 3.06Å; P487-L490 VanDerWaalsContact O-N 3.15Å; S488-L490 PolarHBondContact O-N 2.76Å; S488-L490 VanDerWaalsContact O-N 3.16Å; L490-L492 PolarHBondContact O-N 3.23Å; L490-V570 HydrophobicContact CB-CB 3.83Å; L490-V570 HydrophobicContact CB-CG1 4.41Å; L490-V570 HydrophobicContact CB-CG2 3.55Å; L490-V570 HydrophobicContact CD1-CG2 4.08Å; L490-V570 HydrophobicContact CG-CG2 4.46Å; L490-V644 HydrophobicContact CD2-CG1 3.95Å |
| 491 | L | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.4 | 170.5 | -71.7 | 162.4 | 0 | 0 | 0 | 113.9 | S488 M489 V530 L561 P562 V564 V570 A595 V597 | S488-L491 PolarHBondContact O-N 3.08Å; M489-L491 PolarHBondContact O-N 3Å; M489-L491 VanDerWaalsContact O-N 3.09Å; L491-V530 HydrophobicContact CD1-CG1 4.23Å; L491-V530 HydrophobicContact CD2-CG1 4.29Å; L491-L561 HydrophobicContact CB-CD2 4.2Å; L491-P562 HydrophobicContact CD1-CB 4.14Å; L491-P562 HydrophobicContact CD1-CG 3.86Å; L491-V564 HydrophobicContact CD1-CG2 3.56Å; L491-V564 HydrophobicContact CG-CG2 4.32Å; L491-V570 HydrophobicContact CD2-CG1 4.2Å; L491-A595 HydrophobicContact CD2-CB 3.49Å; L491-A595 VanDerWaalsContact CD2-CB 3.49Å; L491-V597 HydrophobicContact CD2-CG2 3.77Å; L491-V597 HydrophobicContact CG-CG2 4.43Å |
| 492 | L | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -100.1 | 43.3 | 177 | -60.6 | -178.3 | 0 | 0 | 0 | 113 | L453 M489 L490 T494 L495 V528 V536 I538 L561 Y646 | L453-L492 HydrophobicContact CD1-CD1 4.02Å; M489-L492 WeakPolarHBondContact O-CA 3.01Å; M489-L492 VanDerWaalsContact O-CB 3.3Å; M489-L492 WeakPolarHBondContact O-CB 3.42Å; M489-L492 PolarHBondContact O-N 3.09Å; L490-L492 PolarHBondContact O-N 3.23Å; L492-T494 PolarHBondContact O-N 3.47Å; L492-L495 HydrophobicContact CB-CD1 3.86Å; L492-L495 HydrophobicContact CB-CG 4.19Å; L492-L495 HydrophobicContact CD1-CD1 4.22Å; L492-L495 WeakPolarHBondContact O-CB 3.21Å; L492-L495 PolarHBondContact O-N 2.83Å; L492-V528 HydrophobicContact CD2-CB 4.38Å; L492-V528 HydrophobicContact CD2-CG1 4.37Å; L492-V528 HydrophobicContact CD2-CG2 4.33Å; L492-V536 HydrophobicContact CD1-CG1 4.08Å; L492-V536 HydrophobicContact CD2-CB 3.99Å; L492-V536 HydrophobicContact CD2-CG1 4.08Å; L492-V536 HydrophobicContact CD2-CG2 4.07Å; L492-I538 HydrophobicContact CD2-CD1 4.45Å; L492-L561 HydrophobicContact CD1-CD1 4Å; L492-L561 HydrophobicContact CD2-CD2 3.91Å; L492-L561 HydrophobicContact CG-CD1 4.14Å; L492-L561 HydrophobicContact CG-CD2 4.06Å; L492-Y646 PolarHBondContact O-OH 2.04Å | ||
| 493 | S | 88.3 | Confident | 90.6 | Very high | 20 Ų | 20 | 13.4 Ų | 13.4 | 14% | 0.14 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -24.8 | 170.6 | 59.7 | 0 | 0 | 0 | 0 | 114 | L495 G496 S497 F572 | S493-L495 PolarHBondContact O-N 3.04Å; S493-G496 WeakPolarHBondContact O-CA 3.39Å; S493-G496 PolarHBondContact O-N 3.2Å; S493-S497 PolarHBondContact O-N 2.79Å; S493-F572 VanDerWaalsContact CB-CE2 3.48Å; S493-F572 VanDerWaalsContact OG-CE1 3.23Å; S493-F572 WeakPolarHBondContact OG-CE1 3.48Å; S493-F572 VanDerWaalsContact OG-CE2 3.3Å; S493-F572 WeakPolarHBondContact OG-CE2 3.35Å; S493-F572 WeakPolarHBondContact OG-CZ 3.19Å |
| 494 | T | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -55.9 | -24.5 | 170.7 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | L492 G496 R524 V528 I538 V606 | L492-T494 PolarHBondContact O-N 3.47Å; T494-G496 VanDerWaalsContact C-N 3.31Å; T494-R524 VanDerWaalsContact O-CZ 3.3Å; T494-R524 PolarHBondContact O-NH1 3.06Å; T494-R524 PolarHBondContact O-NH2 3.11Å; T494-V528 HydrophobicContact CG2-CG2 4.07Å; T494-I538 WeakPolarHBondContact OG1-CD1 3.29Å; T494-V606 HydrophobicContact CG2-CB 4.26Å; T494-V606 HydrophobicContact CG2-CG1 3.7Å; T494-V606 HydrophobicContact CG2-CG2 3.48Å; T494-V606 VanDerWaalsContact CG2-CG2 3.48Å |
| 495 | L | 92 | Very high | 91 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.8 | -35.6 | 170.9 | -72.6 | 169.4 | 0 | 0 | 0 | 111.6 | F478 M489 L492 S493 I538 T555 V557 Y646 | F478-L495 HydrophobicContact CE2-CB 3.85Å; F478-L495 HydrophobicContact CE2-CD1 4.16Å; F478-L495 HydrophobicContact CE2-CG 4.47Å; F478-L495 HydrophobicContact CZ-CB 3.93Å; F478-L495 HydrophobicContact CZ-CD1 4.19Å; F478-L495 HydrophobicContact CZ-CD2 4.09Å; F478-L495 HydrophobicContact CZ-CG 4.3Å; M489-L495 HydrophobicContact CE-CD1 3.91Å; L492-L495 HydrophobicContact CB-CD1 3.86Å; L492-L495 HydrophobicContact CB-CG 4.19Å; L492-L495 HydrophobicContact CD1-CD1 4.22Å; L492-L495 WeakPolarHBondContact O-CB 3.21Å; L492-L495 PolarHBondContact O-N 2.83Å; S493-L495 PolarHBondContact O-N 3.04Å; L495-I538 HydrophobicContact CD2-CD1 4.05Å; L495-I538 HydrophobicContact CD2-CG2 3.8Å; L495-I538 HydrophobicContact CG-CD1 4.17Å; L495-T555 HydrophobicContact CD2-CG2 4.04Å; L495-V557 HydrophobicContact CD2-CG1 4.37Å; L495-Y646 HydrophobicContact CB-CE2 3.97Å; L495-Y646 HydrophobicContact CD1-CE2 4.23Å |
| 496 | G | 85.1 | Confident | 90.7 | Very high | 6 Ų | 6 | 9.1 Ų | 9.1 | 6% | 0.062 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -83.1 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S493 T494 V498 M499 G500 | S493-G496 WeakPolarHBondContact O-CA 3.39Å; S493-G496 PolarHBondContact O-N 3.2Å; T494-G496 VanDerWaalsContact C-N 3.31Å; G496-V498 VanDerWaalsContact C-N 3.28Å; G496-V498 PolarHBondContact O-N 3.08Å; G496-M499 WeakPolarHBondContact O-CA 3.17Å; G496-M499 VanDerWaalsContact O-CB 3.26Å; G496-M499 WeakPolarHBondContact O-CB 3.38Å; G496-M499 PolarHBondContact O-N 2.71Å; G496-G500 PolarHBondContact O-N 3.24Å |
| 497 | S | 86.8 | Confident | 90.2 | Very high | 9 Ų | 9 | 12.2 Ų | 12.2 | 6% | 0.063 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.3 | -25.2 | -169.8 | 81 | 0 | 0 | 0 | 0 | 114.8 | S493 M499 G500 W501 E577 | S493-S497 PolarHBondContact O-N 2.79Å; S497-M499 VanDerWaalsContact C-N 3.27Å; S497-M499 PolarHBondContact O-N 2.65Å; S497-G500 WeakPolarHBondContact O-CA 3.24Å; S497-G500 PolarHBondContact O-N 3.2Å; S497-G500 VanDerWaalsContact O-N 3.13Å; S497-W501 PolarHBondContact O-N 3.38Å; S497-E577 WeakPolarHBondContact CB-OE1 3.34Å; S497-E577 PolarHBondContact OG-OE1 3.29Å |
| 498 | V | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -32.3 | 169.5 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | G496 G500 W501 L502 F542 | G496-V498 VanDerWaalsContact C-N 3.28Å; G496-V498 PolarHBondContact O-N 3.08Å; V498-G500 VanDerWaalsContact C-N 3.33Å; V498-W501 PolarHBondContact O-N 3.42Å; V498-L502 HydrophobicContact CG2-CD1 4.25Å; V498-L502 HydrophobicContact CG2-CG 4.46Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.06Å; V498-F542 HydrophobicContact CG1-CZ 3.92Å; V498-F542 HydrophobicContact CG2-CE2 4.11Å; V498-F542 HydrophobicContact CG2-CZ 3.74Å |
| 499 | M | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.5 | -39.5 | 174.3 | -50.2 | -52.5 | -178.2 | 0 | 0 | 109.8 | L445 L463 T465 T474 G496 S497 W501 L502 F503 F542 | L445-M499 HydrophobicContact CD1-CE 3.8Å; L445-M499 HydrophobicContact CD1-SD 3.77Å; L445-M499 HydrophobicContact CD2-CE 3.68Å; L445-M499 HydrophobicContact CG-CE 4.44Å; L463-M499 HydrophobicContact CD1-CE 4.36Å; L463-M499 HydrophobicContact CD2-CE 4.2Å; T465-M499 HydrophobicContact CG2-CB 4.33Å; T465-M499 HydrophobicContact CG2-CG 4.06Å; T465-M499 HydrophobicContact CG2-SD 4.41Å; T474-M499 HydrophobicContact CG2-CB 4.08Å; G496-M499 WeakPolarHBondContact O-CA 3.17Å; G496-M499 VanDerWaalsContact O-CB 3.26Å; G496-M499 WeakPolarHBondContact O-CB 3.38Å; G496-M499 PolarHBondContact O-N 2.71Å; S497-M499 VanDerWaalsContact C-N 3.27Å; S497-M499 PolarHBondContact O-N 2.65Å; M499-W501 PolarHBondContact O-N 2.72Å; M499-L502 PolarHBondContact O-N 2.93Å; M499-L502 HydrophobicContact SD-CD1 4.22Å; M499-F503 HydrophobicContact CB-CD2 4.21Å; M499-F503 HydrophobicContact CB-CE2 4.42Å; M499-F503 VanDerWaalsContact O-CD2 3.27Å; M499-F503 WeakPolarHBondContact O-CD2 3.42Å; M499-F503 PolarHBondContact O-N 2.82Å; M499-F503 HydrophobicContact SD-CE2 4.28Å; M499-F542 HydrophobicContact CE-CE1 4.05Å; M499-F542 HydrophobicContact CE-CZ 4.21Å; M499-F542 HydrophobicContact SD-CE1 4Å; M499-F542 HydrophobicContact SD-CZ 4.36Å |
| 500 | G | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G496 S497 V498 G504 L628 N650 | G496-G500 PolarHBondContact O-N 3.24Å; S497-G500 WeakPolarHBondContact O-CA 3.24Å; S497-G500 PolarHBondContact O-N 3.2Å; S497-G500 VanDerWaalsContact O-N 3.13Å; V498-G500 VanDerWaalsContact C-N 3.33Å; G500-G504 WeakPolarHBondContact O-CA 3.31Å; G500-G504 PolarHBondContact O-N 2.89Å; G500-L628 WeakPolarHBondContact O-CD1 3.36Å; G500-N650 VanDerWaalsContact CA-OD1 3.31Å; G500-N650 WeakPolarHBondContact CA-OD1 3.49Å |
| 501 | W | 93.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 173.2 | -178.3 | 78.8 | 0 | 0 | 0 | 113.1 | S497 V498 M499 G514 L517 T518 L522 F579 V587 I610 L628 I652 | S497-W501 PolarHBondContact O-N 3.38Å; V498-W501 PolarHBondContact O-N 3.42Å; M499-W501 PolarHBondContact O-N 2.72Å; W501-G514 PolarHBondContact O-N 3.23Å; W501-L517 HydrophobicContact CZ2-CD1 4.08Å; W501-T518 HydrophobicContact CH2-CG2 3.95Å; W501-T518 HydrophobicContact CZ3-CG2 4.2Å; W501-L522 HydrophobicContact CZ3-CD2 3.8Å; W501-F579 HydrophobicContact CB-CE1 4.38Å; W501-F579 HydrophobicContact CB-CE2 4.21Å; W501-F579 HydrophobicContact CB-CZ 3.91Å; W501-F579 AromaticContact CD1-CD1 3.65Å; W501-F579 AromaticContact CD1-CD2 3.49Å; W501-F579 VanDerWaalsContact CD1-CD2 3.49Å; W501-F579 AromaticContact CD1-CE1 3.74Å; W501-F579 AromaticContact CD1-CE2 3.57Å; W501-F579 AromaticContact CD1-CG 3.51Å; W501-F579 AromaticContact CD1-CZ 3.7Å; W501-F579 HydrophobicContact CD2-CE1 4.44Å; W501-F579 HydrophobicContact CG-CD1 4.24Å; W501-F579 HydrophobicContact CG-CD2 4.42Å; W501-F579 AromaticContact CG-CE1 3.94Å; W501-F579 HydrophobicContact CG-CE1 3.94Å; W501-F579 HydrophobicContact CG-CE2 4.12Å; W501-F579 HydrophobicContact CG-CG 4.47Å; W501-F579 AromaticContact CG-CZ 3.87Å; W501-F579 HydrophobicContact CG-CZ 3.87Å; W501-F579 AromaticContact NE1-CD1 3.63Å; W501-F579 AromaticContact NE1-CG 3.57Å; W501-V587 HydrophobicContact CZ2-CG2 4.49Å; W501-I610 HydrophobicContact CD2-CD1 4.18Å; W501-I610 HydrophobicContact CE3-CD1 3.92Å; W501-I610 HydrophobicContact CH2-CD1 4.27Å; W501-I610 HydrophobicContact CH2-CG2 4.1Å; W501-I610 HydrophobicContact CZ3-CD1 3.97Å; W501-I610 HydrophobicContact CZ3-CG2 4.24Å; W501-L628 HydrophobicContact CB-CD2 4.22Å; W501-I652 WeakPolarHBondContact O-CD1 3Å |
| 502 | L | 93.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -49.9 | 179.5 | -81.7 | 170 | 0 | 0 | 0 | 112.8 | V498 M499 N513 L515 L522 F542 | V498-L502 HydrophobicContact CG2-CD1 4.25Å; V498-L502 HydrophobicContact CG2-CG 4.46Å; V498-L502 WeakPolarHBondContact O-CB 3.37Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.06Å; M499-L502 PolarHBondContact O-N 2.93Å; M499-L502 HydrophobicContact SD-CD1 4.22Å; L502-N513 PolarHBondContact O-ND2 3.3Å; L502-N513 PolarHBondContact O-OD1 2.99Å; L502-L515 VanDerWaalsContact O-CB 3.26Å; L502-L515 WeakPolarHBondContact O-CB 3.43Å; L502-L515 PolarHBondContact O-N 3.47Å; L502-L522 HydrophobicContact CD2-CD2 3.91Å; L502-F542 HydrophobicContact CD1-CD1 3.87Å; L502-F542 HydrophobicContact CD1-CE1 3.38Å; L502-F542 HydrophobicContact CD1-CZ 3.98Å |
| 503 | F | 92.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -109.1 | -5 | -168.3 | -54 | -68.2 | 0 | 0 | 0 | 114.2 | Q443 A467 L469 T474 M499 L515 I551 | Q443-F503 HydrophobicContact CB-CD1 4.27Å; Q443-F503 HydrophobicContact CB-CE1 3.86Å; Q443-F503 HydrophobicContact CB-CZ 4.43Å; Q443-F503 HydrophobicContact CG-CD1 4.36Å; Q443-F503 HydrophobicContact CG-CE1 4.18Å; A467-F503 HydrophobicContact CB-CB 3.82Å; A467-F503 HydrophobicContact CB-CD1 4.08Å; A467-F503 HydrophobicContact CB-CD2 3.51Å; A467-F503 HydrophobicContact CB-CE2 4.06Å; A467-F503 HydrophobicContact CB-CG 3.53Å; L469-F503 HydrophobicContact CD2-CB 4.27Å; L469-F503 HydrophobicContact CD2-CD1 4.17Å; T474-F503 HydrophobicContact CG2-CB 4Å; T474-F503 HydrophobicContact CG2-CD2 4.09Å; M499-F503 HydrophobicContact CB-CD2 4.21Å; M499-F503 HydrophobicContact CB-CE2 4.42Å; M499-F503 VanDerWaalsContact O-CD2 3.27Å; M499-F503 WeakPolarHBondContact O-CD2 3.42Å; M499-F503 PolarHBondContact O-N 2.82Å; M499-F503 HydrophobicContact SD-CE2 4.28Å; F503-L515 HydrophobicContact CD1-CD2 4.24Å; F503-L515 HydrophobicContact CE1-CD2 4.29Å; F503-I551 HydrophobicContact CE1-CD1 3.84Å; F503-I551 HydrophobicContact CZ-CD1 3.77Å |
| 504 | G | 90.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 145.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G500 P506 N513 N650 | G500-G504 WeakPolarHBondContact O-CA 3.31Å; G500-G504 PolarHBondContact O-N 2.89Å; G504-P506 WeakPolarHBondContact O-CD 3.39Å; G504-N513 VanDerWaalsContact O-CB 3.29Å; G504-N513 WeakPolarHBondContact O-CB 3.43Å; G504-N513 PolarHBondContact O-ND2 2.87Å; G504-N650 CarbonylContact C-O 3.53Å; G504-N650 WeakPolarHBondContact CA-O 3.36Å |
| 505 | K | 88.5 | Confident | 85.7 | Confident | 96 Ų | 96 | 27.4 Ų | 27.4 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119 | -173.3 | -179.6 | 168.2 | -175.6 | 164.6 | 0 | 111.2 | A470 T507 N650 S651 I652 | A470-K505 WeakPolarHBondContact O-CD 3.21Å; A470-K505 WeakPolarHBondContact O-CE 3.14Å; A470-K505 PolarHBondContact O-NZ 3.34Å; K505-T507 PolarHBondContact O-N 3.45Å; K505-N650 PolarHBondContact N-O 3.48Å; K505-S651 CarbonylContact O-C 3.56Å; K505-S651 VanDerWaalsContact O-CA 3.3Å; K505-S651 WeakPolarHBondContact O-CA 3.33Å; K505-I652 PolarHBondContact O-N 2.03Å |
| 506 | P | 86.3 | Confident | 85.6 | Confident | 40 Ų | 40 | 30 Ų | 30 | 26% | 0.26 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.2 | 171.2 | -19.6 | 33.3 | 0 | 0 | 0 | 110.1 | G504 V511 M516 I652 | G504-P506 WeakPolarHBondContact O-CD 3.39Å; P506-V511 HydrophobicContact CB-CB 4.01Å; P506-V511 HydrophobicContact CB-CG1 4.14Å; P506-M516 HydrophobicContact CG-SD 4.25Å; P506-I652 WeakPolarHBondContact CA-O 3.36Å |
| 507 | T | 80.8 | Confident | 85.8 | Confident | 65 Ų | 65 | 30.5 Ų | 30.5 | 40% | 0.399 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -75.8 | -35.2 | -178.3 | 54.8 | 0 | 0 | 0 | 0 | 113 | K505 I652 E653 | K505-T507 PolarHBondContact O-N 3.45Å; T507-I652 PolarHBondContact N-O 2.74Å; T507-I652 PolarHBondContact OG1-O 2.93Å; T507-E653 HydrophobicContact CG2-CB 4.13Å; T507-E653 VanDerWaalsContact OG1-CB 3.27Å; T507-E653 WeakPolarHBondContact OG1-CB 3.39Å |
| 508 | D | 67.1 | Low | 86 | Confident | 83 Ų | 83 | 30.4 Ų | 30.4 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -142.8 | 154.1 | -176.4 | -106.4 | -45.5 | 0 | 0 | 0 | 111.4 | V511 | D508-V511 WeakPolarHBondContact O-CB 3.06Å; D508-V511 WeakPolarHBondContact O-CG2 3.5Å; D508-V511 PolarHBondContact O-N 3.37Å |
| 509 | A | 59.3 | Low | 85.8 | Confident | 99 Ų | 99 | 30.5 Ų | 30.5 | 82% | 0.818 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | 128.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 510 | P | 70.3 | Confident | 85.7 | Confident | 110 Ų | 110 | 30.5 Ų | 30.5 | 71% | 0.714 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -112.5 | 38.8 | 24.9 | 42.8 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 511 | V | 79.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | trans | -63.1 | 146.4 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | P506 D508 L626 I652 I654 | P506-V511 HydrophobicContact CB-CB 4.01Å; P506-V511 HydrophobicContact CB-CG1 4.14Å; D508-V511 WeakPolarHBondContact O-CB 3.06Å; D508-V511 WeakPolarHBondContact O-CG2 3.5Å; D508-V511 PolarHBondContact O-N 3.37Å; V511-L626 HydrophobicContact CG1-CD2 4.15Å; V511-I652 HydrophobicContact CG1-CB 4.19Å; V511-I652 HydrophobicContact CG1-CG2 3.72Å; V511-I652 WeakPolarHBondContact CG1-O 3.21Å; V511-I654 HydrophobicContact CG2-CD1 3.81Å; V511-I654 HydrophobicContact CG2-CG1 3.95Å | ||
| 512 | Q | 86.2 | Confident | 85.9 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | trans | -132.7 | 126.2 | -178.4 | -61.7 | -177.6 | -75 | 0 | 0 | 109.7 | M516 L517 | Q512-M516 HydrophobicContact CB-CB 3.99Å; Q512-M516 HydrophobicContact CB-SD 4.29Å; Q512-M516 HydrophobicContact CG-CB 4.46Å; Q512-M516 HydrophobicContact CG-CE 4.19Å; Q512-L517 HydrophobicContact CB-CD2 3.7Å; Q512-L517 HydrophobicContact CB-CG 4.17Å; Q512-L517 HydrophobicContact CG-CD2 4.28Å; Q512-L517 VanDerWaalsContact OE1-CD2 3.32Å | ||
| 513 | N | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -80.2 | 170.6 | 170.8 | 68.9 | 13.3 | 0 | 0 | 0 | 111.6 | L502 G504 L515 M516 L517 I652 | L502-N513 PolarHBondContact O-ND2 3.3Å; L502-N513 PolarHBondContact O-OD1 2.99Å; G504-N513 VanDerWaalsContact O-CB 3.29Å; G504-N513 WeakPolarHBondContact O-CB 3.43Å; G504-N513 PolarHBondContact O-ND2 2.87Å; N513-L515 PolarHBondContact O-N 2.83Å; N513-L515 PolarHBondContact OD1-N 3.48Å; N513-M516 WeakPolarHBondContact O-CB 3.41Å; N513-M516 PolarHBondContact O-N 2.86Å; N513-M516 VanDerWaalsContact OD1-CG 3.31Å; N513-M516 WeakPolarHBondContact OD1-CG 3.33Å; N513-M516 PolarHBondContact OD1-N 2.8Å; N513-M516 VanDerWaalsContact OD1-N 3.13Å; N513-L517 WeakPolarHBondContact O-CG 3.49Å; N513-L517 PolarHBondContact O-N 3.11Å; N513-I652 HydrophobicContact CB-CD1 3.63Å | ||
| 514 | G | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -34.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | W501 M516 L517 T518 | W501-G514 PolarHBondContact O-N 3.23Å; G514-M516 PolarHBondContact O-N 3.13Å; G514-L517 PolarHBondContact O-N 3.1Å; G514-L517 VanDerWaalsContact O-N 3.11Å; G514-T518 WeakPolarHBondContact O-CB 3.1Å; G514-T518 WeakPolarHBondContact O-CG2 3.23Å; G514-T518 PolarHBondContact O-N 3.3Å; G514-T518 PolarHBondContact O-OG1 2.78Å |
| 515 | L | 91.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 174.7 | -177.6 | 63.1 | 0 | 0 | 0 | 111.7 | I430 L469 L502 F503 N513 L517 G519 A520 I551 | I430-L515 HydrophobicContact CG2-CD2 4.26Å; L469-L515 HydrophobicContact CD2-CD2 4.19Å; L502-L515 VanDerWaalsContact O-CB 3.26Å; L502-L515 WeakPolarHBondContact O-CB 3.43Å; L502-L515 PolarHBondContact O-N 3.47Å; F503-L515 HydrophobicContact CD1-CD2 4.24Å; F503-L515 HydrophobicContact CE1-CD2 4.29Å; N513-L515 PolarHBondContact O-N 2.83Å; N513-L515 PolarHBondContact OD1-N 3.48Å; L515-L517 PolarHBondContact O-N 3.3Å; L515-G519 PolarHBondContact O-N 3.34Å; L515-G519 VanDerWaalsContact O-N 3.08Å; L515-A520 HydrophobicContact CD1-CB 4.1Å; L515-I551 HydrophobicContact CD1-CD1 4.46Å |
| 516 | M | 90.3 | Very high | 86.5 | Confident | 53 Ų | 53 | 38.1 Ų | 38.1 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.4 | -13.8 | 174.3 | -66.1 | 171.3 | 83.5 | 0 | 0 | 114.6 | I430 P506 Q512 N513 G514 | I430-M516 HydrophobicContact CD1-CG 3.81Å; I430-M516 HydrophobicContact CD1-SD 3.78Å; I430-M516 HydrophobicContact CG1-CG 3.33Å; I430-M516 HydrophobicContact CG1-SD 3.82Å; P506-M516 HydrophobicContact CG-SD 4.25Å; Q512-M516 HydrophobicContact CB-CB 3.99Å; Q512-M516 HydrophobicContact CB-SD 4.29Å; Q512-M516 HydrophobicContact CG-CB 4.46Å; Q512-M516 HydrophobicContact CG-CE 4.19Å; N513-M516 WeakPolarHBondContact O-CB 3.41Å; N513-M516 PolarHBondContact O-N 2.86Å; N513-M516 VanDerWaalsContact OD1-CG 3.31Å; N513-M516 WeakPolarHBondContact OD1-CG 3.33Å; N513-M516 PolarHBondContact OD1-N 2.8Å; N513-M516 VanDerWaalsContact OD1-N 3.13Å; G514-M516 PolarHBondContact O-N 3.13Å |
| 517 | L | 89.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -103.5 | -29 | -178.8 | -59.5 | -177.9 | 0 | 0 | 0 | 113.5 | W501 Q512 N513 G514 L515 F612 L626 | W501-L517 HydrophobicContact CZ2-CD1 4.08Å; Q512-L517 HydrophobicContact CB-CD2 3.7Å; Q512-L517 HydrophobicContact CB-CG 4.17Å; Q512-L517 HydrophobicContact CG-CD2 4.28Å; Q512-L517 VanDerWaalsContact OE1-CD2 3.32Å; N513-L517 WeakPolarHBondContact O-CG 3.49Å; N513-L517 PolarHBondContact O-N 3.11Å; G514-L517 PolarHBondContact O-N 3.1Å; G514-L517 VanDerWaalsContact O-N 3.11Å; L515-L517 PolarHBondContact O-N 3.3Å; L517-F612 HydrophobicContact CB-CE2 4.19Å; L517-F612 HydrophobicContact CB-CZ 4.35Å; L517-F612 VanDerWaalsContact O-CD2 3.29Å; L517-F612 WeakPolarHBondContact O-CD2 3.36Å; L517-F612 WeakPolarHBondContact O-CE2 3.16Å; L517-L626 HydrophobicContact CD1-CD1 4.45Å |
| 518 | T | 91.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -124.2 | -15.9 | -165 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | W501 G514 A520 R521 L522 F612 | W501-T518 HydrophobicContact CH2-CG2 3.95Å; W501-T518 HydrophobicContact CZ3-CG2 4.2Å; G514-T518 WeakPolarHBondContact O-CB 3.1Å; G514-T518 WeakPolarHBondContact O-CG2 3.23Å; G514-T518 PolarHBondContact O-N 3.3Å; G514-T518 PolarHBondContact O-OG1 2.78Å; T518-A520 PolarHBondContact O-N 2.9Å; T518-A520 WeakPolarHBondContact OG1-CA 3.44Å; T518-A520 PolarHBondContact OG1-N 3.12Å; T518-R521 WeakPolarHBondContact O-CB 3.43Å; T518-R521 PolarHBondContact O-N 2.82Å; T518-L522 HydrophobicContact CG2-CB 4.22Å; T518-L522 HydrophobicContact CG2-CD2 3.83Å; T518-F612 HydrophobicContact CG2-CB 3.89Å; T518-F612 HydrophobicContact CG2-CD1 4.09Å; T518-F612 HydrophobicContact CG2-CD2 3.78Å; T518-F612 HydrophobicContact CG2-CE2 4.26Å; T518-F612 HydrophobicContact CG2-CG 3.68Å |
| 519 | G | 89.1 | Confident | 88.5 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 20.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E435 L515 R521 | E435-G519 WeakPolarHBondContact CG-O 3.33Å; L515-G519 PolarHBondContact O-N 3.34Å; L515-G519 VanDerWaalsContact O-N 3.08Å; G519-R521 PolarHBondContact O-N 3.29Å |
| 520 | A | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L515 T518 F542 G544 I551 | L515-A520 HydrophobicContact CD1-CB 4.1Å; T518-A520 PolarHBondContact O-N 2.9Å; T518-A520 WeakPolarHBondContact OG1-CA 3.44Å; T518-A520 PolarHBondContact OG1-N 3.12Å; A520-F542 CarbonylContact O-C 3.47Å; A520-F542 WeakPolarHBondContact O-CB 3.32Å; A520-G544 WeakPolarHBondContact O-CA 3.19Å; A520-G544 PolarHBondContact O-N 3.21Å; A520-I551 HydrophobicContact CB-CB 4.48Å; A520-I551 HydrophobicContact CB-CD1 3.75Å; A520-I551 HydrophobicContact CB-CG1 4.02Å; A520-I551 HydrophobicContact CB-CG2 3.62Å |
| 521 | R | 92.2 | Very high | 90.2 | Very high | 107 Ų | 107 | 25.2 Ų | 25.2 | 40% | 0.404 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 89 | 171.2 | -64.9 | 175.6 | -177.2 | -81.5 | -6 | 108.8 | E435 T518 G519 F542 L543 | E435-R521 IonicContact OE1-CZ 2.7Å; E435-R521 IonicContact OE1-NE 3.8Å; E435-R521 PolarHBondContact OE1-NE 3.03Å; E435-R521 IonicContact OE1-NH2 2.68Å; E435-R521 PolarHBondContact OE1-NH2 2.89Å; T518-R521 WeakPolarHBondContact O-CB 3.43Å; T518-R521 PolarHBondContact O-N 2.82Å; G519-R521 PolarHBondContact O-N 3.29Å; R521-F542 WeakPolarHBondContact CA-O 3.49Å; R521-L543 PolarHBondContact NH1-O 3.39Å |
| 522 | L | 94.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 155 | -174.2 | 71.9 | 86.6 | 0 | 0 | 0 | 113.1 | W501 L502 T518 R524 F542 I610 R611 F612 | W501-L522 HydrophobicContact CZ3-CD2 3.8Å; L502-L522 HydrophobicContact CD2-CD2 3.91Å; T518-L522 HydrophobicContact CG2-CB 4.22Å; T518-L522 HydrophobicContact CG2-CD2 3.83Å; L522-R524 HydrophobicContact CD1-CB 3.95Å; L522-F542 HydrophobicContact CD1-CD2 3.38Å; L522-F542 HydrophobicContact CD1-CE2 3.74Å; L522-F542 HydrophobicContact CD1-CG 4.19Å; L522-F542 HydrophobicContact CG-CB 4.13Å; L522-F542 HydrophobicContact CG-CD2 3.79Å; L522-F542 HydrophobicContact CG-CE2 4.47Å; L522-F542 HydrophobicContact CG-CG 4.09Å; L522-F542 PolarHBondContact N-O 3.37Å; L522-F542 VanDerWaalsContact N-O 3.15Å; L522-F542 PolarHBondContact O-N 3.28Å; L522-I610 HydrophobicContact CB-CG2 4.33Å; L522-I610 HydrophobicContact CD1-CG2 4.16Å; L522-I610 HydrophobicContact CD2-CG2 4.18Å; L522-I610 HydrophobicContact CG-CG2 4.48Å; L522-R611 CarbonylContact C-O 3.6Å; L522-R611 WeakPolarHBondContact CA-O 2.97Å; L522-F612 HydrophobicContact CB-CB 4.06Å |
| 523 | N | 93.9 | Very high | 89.3 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 43% | 0.428 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.2 | 168.1 | -66.3 | 29.7 | 0 | 0 | 0 | 108.8 | Q540 R611 | N523-Q540 CarbonylContact C-O 3.58Å; N523-Q540 WeakPolarHBondContact CA-O 3.09Å; N523-R611 PolarHBondContact N-O 2.92Å; N523-R611 PolarHBondContact O-N 2.83Å |
| 524 | R | 95.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.1 | 176.3 | 179.3 | 177.3 | 178.8 | -130.5 | 14.1 | 109.7 | T494 L522 V526 Q539 Q540 T609 I610 | T494-R524 VanDerWaalsContact O-CZ 3.3Å; T494-R524 PolarHBondContact O-NH1 3.06Å; T494-R524 PolarHBondContact O-NH2 3.11Å; L522-R524 HydrophobicContact CD1-CB 3.95Å; R524-V526 HydrophobicContact CG-CG2 3.84Å; R524-Q539 WeakPolarHBondContact O-CA 3.47Å; R524-Q540 HydrophobicContact CB-CB 4.33Å; R524-Q540 PolarHBondContact N-O 3.02Å; R524-Q540 PolarHBondContact O-N 3.37Å; R524-T609 WeakPolarHBondContact CA-O 3.5Å; R524-I610 HydrophobicContact CB-CG1 4.11Å; R524-I610 HydrophobicContact CG-CG1 3.89Å |
| 525 | S | 93.9 | Very high | 89.2 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | 170.7 | -51.7 | 0 | 0 | 0 | 0 | 108.7 | I538 Q608 T609 | S525-I538 CarbonylContact C-O 3.5Å; S525-I538 WeakPolarHBondContact CA-O 3.25Å; S525-Q608 WeakPolarHBondContact O-CA 3.41Å; S525-T609 PolarHBondContact N-O 2.59Å; S525-T609 PolarHBondContact O-N 3.33Å |
| 526 | V | 94.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.5 | -176.8 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | R524 V528 T537 I538 V606 D607 Q608 | R524-V526 HydrophobicContact CG-CG2 3.84Å; V526-V528 HydrophobicContact CG1-CG2 3.69Å; V526-T537 CarbonylContact O-C 3.59Å; V526-T537 WeakPolarHBondContact O-CA 3.36Å; V526-I538 HydrophobicContact CB-CB 4.04Å; V526-I538 HydrophobicContact CB-CD1 4.49Å; V526-I538 HydrophobicContact CB-CG1 4.39Å; V526-I538 HydrophobicContact CG2-CB 4.31Å; V526-I538 PolarHBondContact N-O 2.74Å; V526-I538 PolarHBondContact O-N 3.15Å; V526-V606 HydrophobicContact CG1-CG1 3.77Å; V526-D607 CarbonylContact C-O 3.48Å; V526-D607 WeakPolarHBondContact CA-O 3.39Å; V526-Q608 HydrophobicContact CB-CB 4.33Å; V526-Q608 HydrophobicContact CG1-CB 4.1Å; V526-Q608 HydrophobicContact CG2-CB 3.91Å |
| 527 | T | 92.1 | Very high | 89.5 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.6 | 160.1 | -55.8 | 0 | 0 | 0 | 0 | 107.8 | T535 D607 | T527-T535 HydrophobicContact CG2-CG2 3.9Å; T527-D607 PolarHBondContact N-O 3.29Å; T527-D607 PolarHBondContact O-N 2.79Å |
| 528 | V | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.6 | 175.1 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | L492 T494 V526 V530 T535 V536 I538 V604 I605 | L492-V528 HydrophobicContact CD2-CB 4.38Å; L492-V528 HydrophobicContact CD2-CG1 4.37Å; L492-V528 HydrophobicContact CD2-CG2 4.33Å; T494-V528 HydrophobicContact CG2-CG2 4.07Å; V526-V528 HydrophobicContact CG1-CG2 3.69Å; V528-V530 HydrophobicContact CG1-CG2 3.89Å; V528-T535 CarbonylContact O-C 3.59Å; V528-T535 VanDerWaalsContact O-CA 3.27Å; V528-T535 WeakPolarHBondContact O-CA 3.37Å; V528-V536 PolarHBondContact N-O 3.28Å; V528-V536 PolarHBondContact O-N 2.85Å; V528-I538 HydrophobicContact CG2-CD1 4.18Å; V528-V604 HydrophobicContact CG1-CG1 3.64Å; V528-I605 CarbonylContact C-O 3.57Å; V528-I605 WeakPolarHBondContact CA-O 3.38Å |
| 529 | H | 90.7 | Very high | 90 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.222 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.4 | 168.1 | -57.8 | -62.9 | 0 | 0 | 0 | 108.6 | T535 V604 I605 | H529-T535 WeakPolarHBondContact ND1-CG2 3.38Å; H529-T535 PolarHBondContact ND1-OG1 2.89Å; H529-V604 WeakPolarHBondContact O-CA 3.34Å; H529-I605 HydrophobicContact CB-CB 4.32Å; H529-I605 PolarHBondContact N-O 2.86Å; H529-I605 PolarHBondContact O-N 3.38Å |
| 530 | V | 87.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 110.6 | -179.2 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | L491 V528 H534 L561 P562 Y602 V604 | L491-V530 HydrophobicContact CD1-CG1 4.23Å; L491-V530 HydrophobicContact CD2-CG1 4.29Å; V528-V530 HydrophobicContact CG1-CG2 3.89Å; V530-H534 HydrophobicContact CB-CB 4.24Å; V530-H534 PolarHBondContact N-O 2.66Å; V530-H534 WeakPolarHBondContact O-CB 3.34Å; V530-H534 PolarHBondContact O-N 2.89Å; V530-L561 HydrophobicContact CG2-CD2 4.26Å; V530-P562 HydrophobicContact CB-CG 4.3Å; V530-P562 HydrophobicContact CG1-CG 3.56Å; V530-Y602 HydrophobicContact CG1-CD1 4.1Å; V530-Y602 HydrophobicContact CG1-CG 4.31Å; V530-V604 HydrophobicContact CG1-CG2 4.22Å; V530-V604 HydrophobicContact CG2-CG1 4.46Å; V530-V604 HydrophobicContact CG2-CG2 4.35Å |
| 531 | A | 78.9 | Confident | 90.5 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -162.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R533 Y602 P603 | A531-R533 VanDerWaalsContact C-N 3.28Å; A531-R533 PolarHBondContact O-N 2.81Å; A531-Y602 HydrophobicContact CB-CD1 4.08Å; A531-P603 PolarHBondContact N-O 3.08Å |
| 532 | D | 70.3 | Confident | 90.6 | Very high | 161 Ų | 161 | 49.2 Ų | 49.2 | 86% | 0.861 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.1 | -171.3 | -45.9 | -62.3 | 0 | 0 | 0 | 114.1 | ||
| 533 | R | 76.6 | Confident | 90.3 | Very high | 214 Ų | 214 | 52.1 Ų | 52.1 | 81% | 0.808 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | -22.9 | -165.1 | -63.8 | -173.4 | -178.5 | -175.9 | 1.7 | 116 | A531 | A531-R533 VanDerWaalsContact C-N 3.28Å; A531-R533 PolarHBondContact O-N 2.81Å |
| 534 | H | 88 | Confident | 89.9 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.3 | -175.1 | -61.9 | -89.2 | 0 | 0 | 0 | 110.1 | V530 S560 L561 P562 | V530-H534 HydrophobicContact CB-CB 4.24Å; V530-H534 PolarHBondContact N-O 2.66Å; V530-H534 WeakPolarHBondContact O-CB 3.34Å; V530-H534 PolarHBondContact O-N 2.89Å; H534-S560 WeakPolarHBondContact CB-O 3.23Å; H534-L561 PolarHBondContact CE1-O 2.83Å; H534-L561 VanDerWaalsContact CE1-O 3.3Å; H534-L561 PolarHBondContact ND1-O 3.33Å; H534-P562 HydrophobicContact CB-CG 4.37Å |
| 535 | T | 90.6 | Very high | 89.4 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 126.9 | -179.2 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | T527 V528 H529 G559 S560 | T527-T535 HydrophobicContact CG2-CG2 3.9Å; V528-T535 CarbonylContact O-C 3.59Å; V528-T535 VanDerWaalsContact O-CA 3.27Å; V528-T535 WeakPolarHBondContact O-CA 3.37Å; H529-T535 WeakPolarHBondContact ND1-CG2 3.38Å; H529-T535 PolarHBondContact ND1-OG1 2.89Å; T535-G559 VanDerWaalsContact O-CA 3.29Å; T535-G559 WeakPolarHBondContact O-CA 3.19Å; T535-S560 CarbonylContact C-O 3.59Å; T535-S560 PolarHBondContact N-O 2.98Å; T535-S560 VanDerWaalsContact N-O 3.14Å; T535-S560 PolarHBondContact O-N 3.49Å |
| 536 | V | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.1 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L453 L492 V528 I538 S560 L561 | L453-V536 HydrophobicContact CD2-CB 4.43Å; L453-V536 HydrophobicContact CD2-CG1 3.78Å; L453-V536 HydrophobicContact CD2-CG2 3.79Å; L492-V536 HydrophobicContact CD1-CG1 4.08Å; L492-V536 HydrophobicContact CD2-CB 3.99Å; L492-V536 HydrophobicContact CD2-CG1 4.08Å; L492-V536 HydrophobicContact CD2-CG2 4.07Å; V528-V536 PolarHBondContact N-O 3.28Å; V528-V536 PolarHBondContact O-N 2.85Å; V536-I538 HydrophobicContact CG1-CG1 3.98Å; V536-S560 VanDerWaalsContact CG2-O 3.26Å; V536-S560 WeakPolarHBondContact CG2-O 2.78Å; V536-L561 HydrophobicContact CG2-CD1 4.32Å; V536-L561 HydrophobicContact CG2-CD2 3.61Å; V536-L561 HydrophobicContact CG2-CG 3.62Å |
| 537 | T | 94.1 | Very high | 87.8 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137.9 | 165.5 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | V526 V557 S558 | V526-T537 CarbonylContact O-C 3.59Å; V526-T537 WeakPolarHBondContact O-CA 3.36Å; T537-V557 WeakPolarHBondContact O-CA 3.43Å; T537-S558 PolarHBondContact N-O 2.71Å; T537-S558 PolarHBondContact O-N 2.71Å; T537-S558 PolarHBondContact OG1-O 3.04Å |
| 538 | I | 95.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.4 | 177.8 | -45.3 | 177.5 | 0 | 0 | 0 | 108.2 | L492 T494 L495 S525 V526 V528 V536 Q540 T555 F556 V557 | L492-I538 HydrophobicContact CD2-CD1 4.45Å; T494-I538 WeakPolarHBondContact OG1-CD1 3.29Å; L495-I538 HydrophobicContact CD2-CD1 4.05Å; L495-I538 HydrophobicContact CD2-CG2 3.8Å; L495-I538 HydrophobicContact CG-CD1 4.17Å; S525-I538 CarbonylContact C-O 3.5Å; S525-I538 WeakPolarHBondContact CA-O 3.25Å; V526-I538 HydrophobicContact CB-CB 4.04Å; V526-I538 HydrophobicContact CB-CD1 4.49Å; V526-I538 HydrophobicContact CB-CG1 4.39Å; V526-I538 HydrophobicContact CG2-CB 4.31Å; V526-I538 PolarHBondContact N-O 2.74Å; V526-I538 PolarHBondContact O-N 3.15Å; V528-I538 HydrophobicContact CG2-CD1 4.18Å; V536-I538 HydrophobicContact CG1-CG1 3.98Å; I538-Q540 HydrophobicContact CG2-CG 4.06Å; I538-T555 HydrophobicContact CG2-CG2 4.23Å; I538-F556 WeakPolarHBondContact CA-O 3.43Å; I538-V557 HydrophobicContact CG1-CG1 4.32Å; I538-V557 HydrophobicContact CG2-CG1 4.12Å |
| 539 | Q | 94.6 | Very high | 86.4 | Confident | 117 Ų | 117 | 68 Ų | 68 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.4 | 168.8 | -57.3 | -173.3 | 11.1 | 0 | 0 | 108.7 | R524 T555 F556 | R524-Q539 WeakPolarHBondContact O-CA 3.47Å; Q539-T555 WeakPolarHBondContact O-CA 3.48Å; Q539-F556 HydrophobicContact CB-CB 4.48Å; Q539-F556 PolarHBondContact N-O 2.84Å; Q539-F556 PolarHBondContact O-N 2.84Å |
| 540 | Q | 94.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.9 | 177.8 | -66.4 | -179.9 | -66.6 | 0 | 0 | 110.1 | N523 R524 I538 F542 D554 T555 | N523-Q540 CarbonylContact C-O 3.58Å; N523-Q540 WeakPolarHBondContact CA-O 3.09Å; R524-Q540 HydrophobicContact CB-CB 4.33Å; R524-Q540 PolarHBondContact N-O 3.02Å; R524-Q540 PolarHBondContact O-N 3.37Å; I538-Q540 HydrophobicContact CG2-CG 4.06Å; Q540-F542 HydrophobicContact CB-CD2 4.27Å; Q540-F542 HydrophobicContact CB-CE2 3.71Å; Q540-D554 WeakPolarHBondContact CA-O 3.01Å; Q540-T555 HydrophobicContact CG-CG2 3.73Å; Q540-T555 PolarHBondContact NE2-OG1 3.24Å |
| 541 | Q | 94.1 | Very high | 86.3 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 105.7 | 178.5 | 178.6 | 166.7 | -21.7 | 0 | 0 | 109.6 | L543 C553 D554 | Q541-L543 HydrophobicContact CG-CD2 3.76Å; Q541-L543 HydrophobicContact CG-CG 4.47Å; Q541-C553 WeakPolarHBondContact O-CA 3.46Å; Q541-D554 PolarHBondContact N-O 3.02Å; Q541-D554 PolarHBondContact O-N 3.42Å |
| 542 | F | 94.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.6 | 176.8 | -60.8 | -113.6 | 0 | 0 | 0 | 108.8 | L445 V498 M499 L502 A520 R521 L522 Q540 I551 R552 C553 | L445-F542 HydrophobicContact CD1-CD1 3.91Å; L445-F542 HydrophobicContact CD1-CE1 3.68Å; V498-F542 HydrophobicContact CG1-CZ 3.92Å; V498-F542 HydrophobicContact CG2-CE2 4.11Å; V498-F542 HydrophobicContact CG2-CZ 3.74Å; M499-F542 HydrophobicContact CE-CE1 4.05Å; M499-F542 HydrophobicContact CE-CZ 4.21Å; M499-F542 HydrophobicContact SD-CE1 4Å; M499-F542 HydrophobicContact SD-CZ 4.36Å; L502-F542 HydrophobicContact CD1-CD1 3.87Å; L502-F542 HydrophobicContact CD1-CE1 3.38Å; L502-F542 HydrophobicContact CD1-CZ 3.98Å; A520-F542 CarbonylContact O-C 3.47Å; A520-F542 WeakPolarHBondContact O-CB 3.32Å; R521-F542 WeakPolarHBondContact CA-O 3.49Å; L522-F542 HydrophobicContact CD1-CD2 3.38Å; L522-F542 HydrophobicContact CD1-CE2 3.74Å; L522-F542 HydrophobicContact CD1-CG 4.19Å; L522-F542 HydrophobicContact CG-CB 4.13Å; L522-F542 HydrophobicContact CG-CD2 3.79Å; L522-F542 HydrophobicContact CG-CE2 4.47Å; L522-F542 HydrophobicContact CG-CG 4.09Å; L522-F542 PolarHBondContact N-O 3.37Å; L522-F542 VanDerWaalsContact N-O 3.15Å; L522-F542 PolarHBondContact O-N 3.28Å; Q540-F542 HydrophobicContact CB-CD2 4.27Å; Q540-F542 HydrophobicContact CB-CE2 3.71Å; F542-I551 HydrophobicContact CD1-CG2 4.39Å; F542-R552 CarbonylContact C-O 3.55Å; F542-R552 WeakPolarHBondContact CA-O 3.34Å; F542-C553 HydrophobicContact CD1-CB 3.76Å; F542-C553 HydrophobicContact CE1-CB 3.94Å; F542-C553 HydrophobicContact CG-CB 4.11Å; F542-C553 HydrophobicContact CZ-CB 4.43Å; F542-C553 VanDerWaalsContact CZ-SG 3.52Å |
| 543 | L | 89.2 | Confident | 88 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 7.6 | -169.8 | -61.7 | 178.1 | 0 | 0 | 0 | 113.7 | R521 Q541 R552 | R521-L543 PolarHBondContact NH1-O 3.39Å; Q541-L543 HydrophobicContact CG-CD2 3.76Å; Q541-L543 HydrophobicContact CG-CG 4.47Å; L543-R552 HydrophobicContact CB-CB 4.31Å; L543-R552 HydrophobicContact CD1-CG 4.06Å; L543-R552 PolarHBondContact N-O 2.81Å |
| 544 | G | 85.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75 | -158.6 | -168 | 0 | 0 | 0 | 0 | 0 | 111.7 | A520 I551 R552 | A520-G544 WeakPolarHBondContact O-CA 3.19Å; A520-G544 PolarHBondContact O-N 3.21Å; G544-I551 CarbonylContact O-C 3.47Å; G544-I551 VanDerWaalsContact O-CA 3.3Å; G544-I551 WeakPolarHBondContact O-CA 3.34Å; G544-R552 PolarHBondContact O-N 3.15Å |
| 545 | R | 85.1 | Confident | 89 | Confident | 41 Ų | 41 | 56 Ų | 56 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 145.6 | 177.5 | -68.3 | -173.6 | -163.2 | -85.1 | -7.4 | 113.1 | Q443 Q549 Y550 I551 | Q443-R545 VanDerWaalsContact OE1-CZ 3.29Å; R545-Q549 PolarHBondContact NH1-O 2.73Å; R545-Y550 CarbonylContact C-O 3.58Å; R545-Y550 VanDerWaalsContact CA-O 3.27Å; R545-Y550 WeakPolarHBondContact CA-O 3.18Å; R545-I551 HydrophobicContact CG-CG1 4.17Å |
| 546 | D | 79.8 | Confident | 89.2 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | trans | -86 | -173.2 | 164.2 | 81.8 | -20.5 | 0 | 0 | 0 | 111.9 | H548 Q549 Y550 | D546-H548 VanDerWaalsContact C-N 3.32Å; D546-H548 PolarHBondContact O-N 3.48Å; D546-H548 WeakPolarHBondContact OD1-CA 3.48Å; D546-H548 WeakPolarHBondContact OD1-CB 3.37Å; D546-H548 PolarHBondContact OD1-N 2.9Å; D546-H548 IonicContact OD2-CG 2.76Å; D546-H548 IonicContact OD2-ND1 3.2Å; D546-H548 PolarHBondContact OD2-ND1 3.14Å; D546-Q549 PolarHBondContact O-N 2.76Å; D546-Q549 PolarHBondContact O-NE2 3.29Å; D546-Q549 PolarHBondContact OD1-N 2.81Å; D546-Y550 PolarHBondContact N-O 2.8Å; D546-Y550 PolarHBondContact OD1-N 2.89Å; D546-Y550 VanDerWaalsContact OD1-O 3.11Å | ||
| 547 | E | 74.4 | Confident | 89.2 | Confident | 186 Ų | 186 | 57.8 Ų | 57.8 | 87% | 0.869 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -31.9 | 179.1 | -53.5 | -160.1 | 151.7 | 0 | 0 | 112.5 | Q549 | E547-Q549 PolarHBondContact O-N 2.04Å; E547-Q549 PolarHBondContact O-NE2 3.3Å |
| 548 | H | 76.8 | Confident | 89.1 | Confident | 142 Ų | 142 | 57.2 Ų | 57.2 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 2 | 174.1 | -52.7 | 104.7 | 0 | 0 | 0 | 114.2 | D546 Y550 | D546-H548 VanDerWaalsContact C-N 3.32Å; D546-H548 PolarHBondContact O-N 3.48Å; D546-H548 WeakPolarHBondContact OD1-CA 3.48Å; D546-H548 WeakPolarHBondContact OD1-CB 3.37Å; D546-H548 PolarHBondContact OD1-N 2.9Å; D546-H548 IonicContact OD2-CG 2.76Å; D546-H548 IonicContact OD2-ND1 3.2Å; D546-H548 PolarHBondContact OD2-ND1 3.14Å; H548-Y550 HydrophobicContact CB-CD1 4.43Å; H548-Y550 HydrophobicContact CB-CG 4.42Å; H548-Y550 WeakPolarHBondContact O-CD1 3.42Å; H548-Y550 PolarHBondContact O-N 3.01Å |
| 549 | Q | 79.2 | Confident | 88.9 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 68.1 | 12 | -174.3 | -51.8 | -61.2 | -77.1 | 0 | 0 | 114.8 | R545 D546 E547 | R545-Q549 PolarHBondContact NH1-O 2.73Å; D546-Q549 PolarHBondContact O-N 2.76Å; D546-Q549 PolarHBondContact O-NE2 3.29Å; D546-Q549 PolarHBondContact OD1-N 2.81Å; E547-Q549 PolarHBondContact O-N 2.04Å; E547-Q549 PolarHBondContact O-NE2 3.3Å |
| 550 | Y | 86.4 | Confident | 88.8 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -84 | 143.1 | 173.2 | -62.5 | -0.1 | 0 | 0 | 0 | 109.4 | R444 R545 D546 H548 | R444-Y550 HydrophobicContact CB-CD1 3.58Å; R444-Y550 HydrophobicContact CB-CD2 4.41Å; R444-Y550 HydrophobicContact CB-CE1 3.89Å; R444-Y550 HydrophobicContact CB-CG 3.88Å; R444-Y550 VanDerWaalsContact CD-CE1 3.41Å; R444-Y550 HydrophobicContact CG-CD1 4.42Å; R444-Y550 HydrophobicContact CG-CE1 4.25Å; R444-Y550 PolarHBondContact NH1-OH 3.28Å; R444-Y550 WeakPolarHBondContact O-CA 3.34Å; R545-Y550 CarbonylContact C-O 3.58Å; R545-Y550 VanDerWaalsContact CA-O 3.27Å; R545-Y550 WeakPolarHBondContact CA-O 3.18Å; D546-Y550 PolarHBondContact N-O 2.8Å; D546-Y550 PolarHBondContact OD1-N 2.89Å; D546-Y550 VanDerWaalsContact OD1-O 3.11Å; H548-Y550 HydrophobicContact CB-CD1 4.43Å; H548-Y550 HydrophobicContact CB-CG 4.42Å; H548-Y550 WeakPolarHBondContact O-CD1 3.42Å; H548-Y550 PolarHBondContact O-N 3.01Å |
| 551 | I | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.3 | 174.1 | -67.2 | 160.3 | 0 | 0 | 0 | 108.4 | R444 L445 S446 F503 L515 A520 F542 G544 R545 | R444-I551 PolarHBondContact O-N 3.29Å; L445-I551 CarbonylContact C-O 3.53Å; L445-I551 WeakPolarHBondContact CA-O 2.95Å; L445-I551 HydrophobicContact CB-CB 4.03Å; L445-I551 HydrophobicContact CB-CG2 4.49Å; L445-I551 WeakPolarHBondContact CB-O 2.91Å; L445-I551 HydrophobicContact CD1-CB 4.22Å; L445-I551 HydrophobicContact CD1-CG2 3.78Å; L445-I551 HydrophobicContact CG-CB 4.23Å; L445-I551 HydrophobicContact CG-CG2 4.18Å; L445-I551 VanDerWaalsContact CG-O 3.32Å; L445-I551 WeakPolarHBondContact CG-O 3.46Å; S446-I551 PolarHBondContact N-O 3.43Å; F503-I551 HydrophobicContact CE1-CD1 3.84Å; F503-I551 HydrophobicContact CZ-CD1 3.77Å; L515-I551 HydrophobicContact CD1-CD1 4.46Å; A520-I551 HydrophobicContact CB-CB 4.48Å; A520-I551 HydrophobicContact CB-CD1 3.75Å; A520-I551 HydrophobicContact CB-CG1 4.02Å; A520-I551 HydrophobicContact CB-CG2 3.62Å; F542-I551 HydrophobicContact CD1-CG2 4.39Å; G544-I551 CarbonylContact O-C 3.47Å; G544-I551 VanDerWaalsContact O-CA 3.3Å; G544-I551 WeakPolarHBondContact O-CA 3.34Å; R545-I551 HydrophobicContact CG-CG1 4.17Å |
| 552 | R | 91.9 | Very high | 88.5 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 45% | 0.445 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.5 | 175.8 | -179.7 | 170.3 | 166.7 | 164.6 | 1.5 | 111.7 | S446 F542 L543 G544 D554 | S446-R552 CarbonylContact O-C 3.44Å; S446-R552 VanDerWaalsContact O-CA 3.3Å; S446-R552 WeakPolarHBondContact O-CA 3.34Å; F542-R552 CarbonylContact C-O 3.55Å; F542-R552 WeakPolarHBondContact CA-O 3.34Å; L543-R552 HydrophobicContact CB-CB 4.31Å; L543-R552 HydrophobicContact CD1-CG 4.06Å; L543-R552 PolarHBondContact N-O 2.81Å; G544-R552 PolarHBondContact O-N 3.15Å; R552-D554 IonicContact CZ-OD1 3.23Å; R552-D554 IonicContact CZ-OD2 3.43Å; R552-D554 IonicContact NE-OD1 3.49Å; R552-D554 PolarHBondContact NE-OD1 3.24Å; R552-D554 IonicContact NE-OD2 3.33Å; R552-D554 PolarHBondContact NE-OD2 3.17Å; R552-D554 IonicContact NH2-OD1 2.74Å; R552-D554 PolarHBondContact NH2-OD1 3.35Å; R552-D554 IonicContact NH2-OD2 3.2Å; R552-D554 PolarHBondContact NH2-OD2 3Å |
| 553 | C | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 102.5 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | L445 S446 L463 Q541 F542 | L445-C553 HydrophobicContact CD1-CB 4.1Å; L445-C553 HydrophobicContact CD2-CB 4.02Å; L445-C553 HydrophobicContact CG-CB 4.18Å; S446-C553 PolarHBondContact O-N 2.04Å; L463-C553 HydrophobicContact CD2-CB 4.05Å; Q541-C553 WeakPolarHBondContact O-CA 3.46Å; F542-C553 HydrophobicContact CD1-CB 3.76Å; F542-C553 HydrophobicContact CE1-CB 3.94Å; F542-C553 HydrophobicContact CG-CB 4.11Å; F542-C553 HydrophobicContact CZ-CB 4.43Å; F542-C553 VanDerWaalsContact CZ-SG 3.52Å |
| 554 | D | 91.3 | Very high | 88 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.1 | 174.4 | -54.5 | -47 | 0 | 0 | 0 | 109.7 | Q540 Q541 R552 | Q540-D554 WeakPolarHBondContact CA-O 3.01Å; Q541-D554 PolarHBondContact N-O 3.02Å; Q541-D554 PolarHBondContact O-N 3.42Å; R552-D554 IonicContact CZ-OD1 3.23Å; R552-D554 IonicContact CZ-OD2 3.43Å; R552-D554 IonicContact NE-OD1 3.49Å; R552-D554 PolarHBondContact NE-OD1 3.24Å; R552-D554 IonicContact NE-OD2 3.33Å; R552-D554 PolarHBondContact NE-OD2 3.17Å; R552-D554 IonicContact NH2-OD1 2.74Å; R552-D554 PolarHBondContact NH2-OD1 3.35Å; R552-D554 IonicContact NH2-OD2 3.2Å; R552-D554 PolarHBondContact NH2-OD2 3Å |
| 555 | T | 93.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.5 | -172.9 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | K448 L449 T450 L495 I538 Q539 Q540 V557 | K448-T555 PolarHBondContact O-N 2.78Å; L449-T555 CarbonylContact C-O 3.5Å; L449-T555 WeakPolarHBondContact CA-O 3.27Å; L449-T555 HydrophobicContact CD1-CG2 3.53Å; T450-T555 PolarHBondContact N-O 3.18Å; T450-T555 PolarHBondContact OG1-O 3.3Å; L495-T555 HydrophobicContact CD2-CG2 4.04Å; I538-T555 HydrophobicContact CG2-CG2 4.23Å; Q539-T555 WeakPolarHBondContact O-CA 3.48Å; Q540-T555 HydrophobicContact CG-CG2 3.73Å; Q540-T555 PolarHBondContact NE2-OG1 3.24Å; T555-V557 HydrophobicContact CG2-CG1 4.4Å |
| 556 | F | 94.6 | Very high | 87.1 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 40% | 0.395 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.9 | 172 | -178.1 | -95.8 | 0 | 0 | 0 | 111.2 | T450 I538 Q539 | T450-F556 CarbonylContact O-C 3.47Å; T450-F556 VanDerWaalsContact O-CA 3.28Å; T450-F556 WeakPolarHBondContact O-CA 3.01Å; I538-F556 WeakPolarHBondContact CA-O 3.43Å; Q539-F556 HydrophobicContact CB-CB 4.48Å; Q539-F556 PolarHBondContact N-O 2.84Å; Q539-F556 PolarHBondContact O-N 2.84Å |
| 557 | V | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.8 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | L449 T450 G451 R452 L453 I458 L495 T537 I538 T555 | L449-V557 HydrophobicContact CD1-CB 4.44Å; L449-V557 HydrophobicContact CD1-CG1 3.8Å; L449-V557 HydrophobicContact CD1-CG2 3.87Å; T450-V557 PolarHBondContact O-N 2.71Å; G451-V557 CarbonylContact C-O 3.54Å; G451-V557 VanDerWaalsContact CA-O 3.26Å; G451-V557 WeakPolarHBondContact CA-O 3.38Å; R452-V557 PolarHBondContact N-O 3.04Å; L453-V557 HydrophobicContact CD1-CB 4.27Å; L453-V557 HydrophobicContact CD1-CG2 3.87Å; L453-V557 HydrophobicContact CD2-CB 4.32Å; L453-V557 HydrophobicContact CD2-CG2 4.49Å; L453-V557 HydrophobicContact CG-CB 4.31Å; L453-V557 HydrophobicContact CG-CG2 3.94Å; I458-V557 HydrophobicContact CD1-CG2 4.16Å; L495-V557 HydrophobicContact CD2-CG1 4.37Å; T537-V557 WeakPolarHBondContact O-CA 3.43Å; I538-V557 HydrophobicContact CG1-CG1 4.32Å; I538-V557 HydrophobicContact CG2-CG1 4.12Å; T555-V557 HydrophobicContact CG2-CG1 4.4Å |
| 558 | S | 92.8 | Very high | 86.2 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 129.9 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 113 | R452 T537 | R452-S558 VanDerWaalsContact O-CA 3.31Å; R452-S558 WeakPolarHBondContact O-CA 3.44Å; T537-S558 PolarHBondContact N-O 2.71Å; T537-S558 PolarHBondContact O-N 2.71Å; T537-S558 PolarHBondContact OG1-O 3.04Å |
| 559 | G | 92.4 | Very high | 86 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | -146.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R452 L453 N454 T535 | R452-G559 PolarHBondContact O-N 2.61Å; L453-G559 WeakPolarHBondContact CA-O 3.36Å; N454-G559 PolarHBondContact N-O 3.48Å; T535-G559 VanDerWaalsContact O-CA 3.29Å; T535-G559 WeakPolarHBondContact O-CA 3.19Å |
| 560 | S | 91.9 | Very high | 86.2 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -132.6 | 152.7 | 177.8 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | N454 H534 T535 V536 | N454-S560 WeakPolarHBondContact OD1-CA 3.28Å; N454-S560 WeakPolarHBondContact OD1-CB 3.33Å; H534-S560 WeakPolarHBondContact CB-O 3.23Å; T535-S560 CarbonylContact C-O 3.59Å; T535-S560 PolarHBondContact N-O 2.98Å; T535-S560 VanDerWaalsContact N-O 3.14Å; T535-S560 PolarHBondContact O-N 3.49Å; V536-S560 VanDerWaalsContact CG2-O 3.26Å; V536-S560 WeakPolarHBondContact CG2-O 2.78Å | ||
| 561 | L | 92.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -131.6 | 151.7 | 178.7 | -72.4 | 165.8 | 0 | 0 | 0 | 109.2 | L453 N454 M489 L491 L492 V530 H534 V536 | L453-L561 HydrophobicContact CD1-CD1 4.05Å; N454-L561 PolarHBondContact ND2-O 3.4Å; N454-L561 PolarHBondContact OD1-N 2.86Å; N454-L561 PolarHBondContact OD1-O 3.32Å; N454-L561 VanDerWaalsContact OD1-O 3.05Å; M489-L561 HydrophobicContact CG-CD1 4.49Å; L491-L561 HydrophobicContact CB-CD2 4.2Å; L492-L561 HydrophobicContact CD1-CD1 4Å; L492-L561 HydrophobicContact CD2-CD2 3.91Å; L492-L561 HydrophobicContact CG-CD1 4.14Å; L492-L561 HydrophobicContact CG-CD2 4.06Å; V530-L561 HydrophobicContact CG2-CD2 4.26Å; H534-L561 PolarHBondContact CE1-O 2.83Å; H534-L561 VanDerWaalsContact CE1-O 3.3Å; H534-L561 PolarHBondContact ND1-O 3.33Å; V536-L561 HydrophobicContact CG2-CD1 4.32Å; V536-L561 HydrophobicContact CG2-CD2 3.61Å; V536-L561 HydrophobicContact CG2-CG 3.62Å | ||
| 562 | P | 89.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -54.9 | 145.1 | 164 | -18.7 | 30.6 | 0 | 0 | 0 | 109.9 | S488 L491 V530 H534 Y602 | S488-P562 WeakPolarHBondContact CB-O 3.08Å; S488-P562 PolarHBondContact OG-O 3.11Å; L491-P562 HydrophobicContact CD1-CB 4.14Å; L491-P562 HydrophobicContact CD1-CG 3.86Å; V530-P562 HydrophobicContact CB-CG 4.3Å; V530-P562 HydrophobicContact CG1-CG 3.56Å; H534-P562 HydrophobicContact CB-CG 4.37Å; P562-Y602 HydrophobicContact CB-CD1 4.26Å; P562-Y602 HydrophobicContact CB-CE1 3.58Å; P562-Y602 HydrophobicContact CG-CD1 3.7Å; P562-Y602 HydrophobicContact CG-CE1 3.53Å | ||
| 563 | E | 85.9 | Confident | 85 | Confident | 173 Ų | 173 | 44.4 Ų | 44.4 | 81% | 0.808 | 25% | 0.249 | S | C | * | . | trans | -65.3 | 134.8 | 164.4 | -171.2 | 172.5 | -172.3 | 0 | 0 | 108.8 | ||||
| 564 | V | 86.1 | Confident | 84.5 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -125.1 | 131.2 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | P487 L491 A568 V570 V597 | P487-V564 HydrophobicContact CB-CB 4.13Å; P487-V564 HydrophobicContact CB-CG1 4.14Å; P487-V564 WeakPolarHBondContact CB-O 3.47Å; L491-V564 HydrophobicContact CD1-CG2 3.56Å; L491-V564 HydrophobicContact CG-CG2 4.32Å; V564-A568 HydrophobicContact CG1-CB 4.07Å; V564-V570 HydrophobicContact CG1-CG2 4.31Å; V564-V597 HydrophobicContact CG1-CG1 3.77Å; V564-V597 HydrophobicContact CG2-CG1 4.19Å | ||
| 565 | D | 78.9 | Confident | 84.2 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | trans | -57.2 | 131.2 | 174.8 | -175.7 | -45 | 0 | 0 | 0 | 110 | Q567 A568 | D565-Q567 PolarHBondContact O-N 2.95Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.22Å; D565-Q567 PolarHBondContact OD1-N 3.23Å; D565-A568 HydrophobicContact CB-CB 3.94Å; D565-A568 WeakPolarHBondContact O-CB 3.45Å; D565-A568 PolarHBondContact O-N 3.02Å | ||
| 566 | P | 73.1 | Confident | 83.8 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 58% | 0.578 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.3 | 178.1 | -26.5 | 34.6 | 0 | 0 | 0 | 115.6 | P487 | P487-P566 HydrophobicContact CG-CB 4.07Å; P487-P566 HydrophobicContact CG-CG 4.09Å |
| 567 | Q | 68.6 | Low | 83.5 | Confident | 178 Ų | 178 | 49.2 Ų | 49.2 | 83% | 0.832 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -7.7 | 175.8 | -56.1 | -171.4 | 1.1 | 0 | 0 | 113.6 | D565 T569 | D565-Q567 PolarHBondContact O-N 2.95Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.22Å; D565-Q567 PolarHBondContact OD1-N 3.23Å; Q567-T569 PolarHBondContact O-N 3.39Å |
| 568 | A | 66.5 | Low | 83.2 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | trans | -75.7 | 118.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V564 D565 V597 | V564-A568 HydrophobicContact CG1-CB 4.07Å; D565-A568 HydrophobicContact CB-CB 3.94Å; D565-A568 WeakPolarHBondContact O-CB 3.45Å; D565-A568 PolarHBondContact O-N 3.02Å; A568-V597 HydrophobicContact CB-CG1 3.97Å | ||
| 569 | T | 71.9 | Confident | 83.1 | Confident | 46 Ų | 46 | 50 Ų | 50 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | trans | -65.1 | 132.4 | 166.8 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | Q567 G598 | Q567-T569 PolarHBondContact O-N 3.39Å; T569-G598 PolarHBondContact O-N 2.53Å | ||
| 570 | V | 83.6 | Confident | 82.8 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.3 | 172 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | L490 L491 V564 F572 A595 R596 V597 S635 | L490-V570 HydrophobicContact CB-CB 3.83Å; L490-V570 HydrophobicContact CB-CG1 4.41Å; L490-V570 HydrophobicContact CB-CG2 3.55Å; L490-V570 HydrophobicContact CD1-CG2 4.08Å; L490-V570 HydrophobicContact CG-CG2 4.46Å; L491-V570 HydrophobicContact CD2-CG1 4.2Å; V564-V570 HydrophobicContact CG1-CG2 4.31Å; V570-F572 HydrophobicContact CG1-CD2 4.32Å; V570-F572 HydrophobicContact CG1-CE2 3.76Å; V570-A595 HydrophobicContact CG1-CB 4.31Å; V570-R596 CarbonylContact C-O 3.6Å; V570-R596 VanDerWaalsContact CA-O 3.29Å; V570-R596 WeakPolarHBondContact CA-O 3.48Å; V570-V597 HydrophobicContact CG1-CG2 4.15Å; V570-V597 HydrophobicContact CG2-CG1 4.29Å; V570-V597 HydrophobicContact CG2-CG2 4.02Å; V570-S635 PolarHBondContact O-OG 3.07Å |
| 571 | D | 81.9 | Confident | 82.5 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.6 | 179.3 | 172.2 | 41.3 | 0 | 0 | 0 | 111.1 | G573 A595 R596 | D571-G573 PolarHBondContact OD1-N 2.76Å; D571-A595 CarbonylContact O-C 3.52Å; D571-A595 WeakPolarHBondContact O-CA 3.34Å; D571-R596 HydrophobicContact CB-CB 4.37Å; D571-R596 PolarHBondContact N-O 3.07Å; D571-R596 PolarHBondContact O-N 2.65Å; D571-R596 IonicContact OD2-CZ 3.08Å; D571-R596 IonicContact OD2-NH1 2.65Å; D571-R596 PolarHBondContact OD2-NH1 3.49Å |
| 572 | F | 86 | Confident | 82 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | trans | -106.9 | -8.1 | 174.9 | -75.7 | -99.1 | 0 | 0 | 0 | 112.9 | S493 V570 L593 A595 V604 | S493-F572 VanDerWaalsContact CB-CE2 3.48Å; S493-F572 VanDerWaalsContact OG-CE1 3.23Å; S493-F572 WeakPolarHBondContact OG-CE1 3.48Å; S493-F572 VanDerWaalsContact OG-CE2 3.3Å; S493-F572 WeakPolarHBondContact OG-CE2 3.35Å; S493-F572 WeakPolarHBondContact OG-CZ 3.19Å; V570-F572 HydrophobicContact CG1-CD2 4.32Å; V570-F572 HydrophobicContact CG1-CE2 3.76Å; F572-L593 HydrophobicContact CD1-CB 4.05Å; F572-L593 HydrophobicContact CD1-CD1 3.96Å; F572-L593 HydrophobicContact CE1-CB 4.41Å; F572-L593 HydrophobicContact CE1-CD1 4.28Å; F572-A595 HydrophobicContact CD1-CB 4.3Å; F572-A595 HydrophobicContact CE1-CB 3.8Å; F572-A595 HydrophobicContact CE2-CB 4.15Å; F572-A595 HydrophobicContact CZ-CB 3.71Å; F572-V604 HydrophobicContact CE1-CB 4.2Å; F572-V604 HydrophobicContact CE1-CG1 4.25Å; F572-V604 HydrophobicContact CE1-CG2 4.08Å; F572-V604 HydrophobicContact CZ-CG2 4.47Å | ||
| 573 | G | 75.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | 67.4 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D571 H575 S633 | D571-G573 PolarHBondContact OD1-N 2.76Å; G573-H575 PolarHBondContact O-N 2.73Å; G573-H575 PolarHBondContact O-ND1 2.84Å; G573-S633 PolarHBondContact O-OG 3.07Å | ||
| 574 | E | 82.4 | Confident | 81.7 | Confident | 116 Ų | 116 | 53.5 Ų | 53.5 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.2 | 126.9 | 164.7 | -63.4 | -156.2 | 166.2 | 0 | 0 | 109.6 | K629 V630 | E574-K629 WeakPolarHBondContact OE2-CE 3.38Å; E574-K629 IonicContact OE2-NZ 3.18Å; E574-K629 PolarHBondContact OE2-NZ 3.02Å; E574-V630 WeakPolarHBondContact CA-O 3.28Å |
| 575 | H | 84.8 | Confident | 81.8 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 171.8 | -175.8 | 61 | -87.1 | 0 | 0 | 0 | 111.7 | G573 L593 V630 | G573-H575 PolarHBondContact O-N 2.73Å; G573-H575 PolarHBondContact O-ND1 2.84Å; H575-L593 HydrophobicContact CB-CD2 4.07Å; H575-V630 PolarHBondContact N-O 2.97Å; H575-V630 PolarHBondContact O-N 3.12Å |
| 576 | F | 86.6 | Confident | 82.3 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.8 | 179.9 | -59.5 | -95.6 | 0 | 0 | 0 | 110.3 | L627 L628 K629 | F576-L627 HydrophobicContact CB-CD1 3.95Å; F576-L627 HydrophobicContact CB-CD2 4.26Å; F576-L627 HydrophobicContact CB-CG 4.01Å; F576-L627 HydrophobicContact CD1-CD2 3.44Å; F576-L627 VanDerWaalsContact CD1-CD2 3.44Å; F576-L627 HydrophobicContact CD1-CG 3.77Å; F576-L627 HydrophobicContact CE1-CD2 3.96Å; F576-L627 HydrophobicContact CG-CD2 4.08Å; F576-L627 HydrophobicContact CG-CG 4.29Å; F576-L628 CarbonylContact C-O 3.6Å; F576-L628 VanDerWaalsContact CA-O 3.26Å; F576-L628 WeakPolarHBondContact CA-O 3.38Å; F576-K629 HydrophobicContact CD1-CB 3.75Å; F576-K629 HydrophobicContact CD1-CG 3.83Å; F576-K629 HydrophobicContact CE1-CB 3.68Å; F576-K629 HydrophobicContact CE1-CD 3.77Å; F576-K629 HydrophobicContact CE1-CG 3.47Å; F576-K629 VanDerWaalsContact CE1-CG 3.47Å; F576-K629 HydrophobicContact CZ-CD 3.99Å; F576-K629 HydrophobicContact CZ-CG 3.99Å |
| 577 | E | 87.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.9 | 167.8 | -66.7 | -168.5 | -159 | 0 | 0 | 109.9 | S497 F579 Q608 L628 | S497-E577 WeakPolarHBondContact CB-OE1 3.34Å; S497-E577 PolarHBondContact OG-OE1 3.29Å; E577-F579 HydrophobicContact CB-CD2 4.18Å; E577-F579 HydrophobicContact CB-CE2 3.58Å; E577-F579 HydrophobicContact CB-CZ 4.32Å; E577-F579 WeakPolarHBondContact OE2-CE2 3.32Å; E577-F579 WeakPolarHBondContact OE2-CZ 3.31Å; E577-Q608 PolarHBondContact OE2-NE2 2.89Å; E577-L628 HydrophobicContact CB-CB 4.32Å; E577-L628 HydrophobicContact CB-CD2 4.47Å; E577-L628 PolarHBondContact N-O 3.43Å; E577-L628 PolarHBondContact O-N 2.81Å |
| 578 | E | 88 | Confident | 84.2 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115 | 175.4 | -166.6 | -170.3 | 92.4 | 0 | 0 | 111.7 | V580 S589 K625 L627 | E578-V580 HydrophobicContact CG-CG2 4.29Å; E578-V580 WeakPolarHBondContact OE1-CG2 3.29Å; E578-S589 VanDerWaalsContact O-CA 3.3Å; E578-S589 WeakPolarHBondContact O-CA 3.31Å; E578-S589 WeakPolarHBondContact O-CB 3.48Å; E578-S589 PolarHBondContact O-OG 3.09Å; E578-K625 HydrophobicContact CG-CB 4.41Å; E578-K625 HydrophobicContact CG-CD 4.49Å; E578-K625 VanDerWaalsContact OE1-CE 3.26Å; E578-K625 WeakPolarHBondContact OE1-CE 3.37Å; E578-K625 IonicContact OE1-NZ 2.66Å; E578-K625 PolarHBondContact OE1-NZ 2.91Å; E578-K625 WeakPolarHBondContact OE2-CD 3.44Å; E578-K625 IonicContact OE2-NZ 3.56Å; E578-K625 PolarHBondContact OE2-NZ 3.08Å; E578-L627 HydrophobicContact CB-CD1 4.17Å; E578-L627 HydrophobicContact CG-CD1 4.46Å |
| 579 | F | 90.5 | Very high | 85.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.5 | 176.8 | -70.9 | -92.8 | 0 | 0 | 0 | 111.2 | W501 E577 V587 I610 K625 L626 L628 | W501-F579 HydrophobicContact CB-CE1 4.38Å; W501-F579 HydrophobicContact CB-CE2 4.21Å; W501-F579 HydrophobicContact CB-CZ 3.91Å; W501-F579 AromaticContact CD1-CD1 3.65Å; W501-F579 AromaticContact CD1-CD2 3.49Å; W501-F579 VanDerWaalsContact CD1-CD2 3.49Å; W501-F579 AromaticContact CD1-CE1 3.74Å; W501-F579 AromaticContact CD1-CE2 3.57Å; W501-F579 AromaticContact CD1-CG 3.51Å; W501-F579 AromaticContact CD1-CZ 3.7Å; W501-F579 HydrophobicContact CD2-CE1 4.44Å; W501-F579 HydrophobicContact CG-CD1 4.24Å; W501-F579 HydrophobicContact CG-CD2 4.42Å; W501-F579 AromaticContact CG-CE1 3.94Å; W501-F579 HydrophobicContact CG-CE1 3.94Å; W501-F579 HydrophobicContact CG-CE2 4.12Å; W501-F579 HydrophobicContact CG-CG 4.47Å; W501-F579 AromaticContact CG-CZ 3.87Å; W501-F579 HydrophobicContact CG-CZ 3.87Å; W501-F579 AromaticContact NE1-CD1 3.63Å; W501-F579 AromaticContact NE1-CG 3.57Å; E577-F579 HydrophobicContact CB-CD2 4.18Å; E577-F579 HydrophobicContact CB-CE2 3.58Å; E577-F579 HydrophobicContact CB-CZ 4.32Å; E577-F579 WeakPolarHBondContact OE2-CE2 3.32Å; E577-F579 WeakPolarHBondContact OE2-CZ 3.31Å; F579-V587 HydrophobicContact CB-CG1 3.87Å; F579-V587 HydrophobicContact CD1-CG1 3.78Å; F579-V587 HydrophobicContact CG-CG1 4.32Å; F579-I610 HydrophobicContact CD1-CD1 4.48Å; F579-I610 HydrophobicContact CE1-CD1 4.05Å; F579-K625 CarbonylContact O-C 3.48Å; F579-K625 WeakPolarHBondContact O-CA 3.45Å; F579-L626 HydrophobicContact CB-CB 4.45Å; F579-L626 PolarHBondContact N-O 3.46Å; F579-L626 PolarHBondContact O-N 3.29Å; F579-L628 HydrophobicContact CD2-CB 4.1Å; F579-L628 HydrophobicContact CE2-CB 3.83Å; F579-L628 HydrophobicContact CE2-CD2 3.82Å; F579-L628 HydrophobicContact CE2-CG 4.48Å; F579-L628 HydrophobicContact CZ-CD2 4.41Å |
| 580 | V | 86.3 | Confident | 86.1 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | -176 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | E578 F582 V587 K588 K625 | E578-V580 HydrophobicContact CG-CG2 4.29Å; E578-V580 WeakPolarHBondContact OE1-CG2 3.29Å; V580-F582 PolarHBondContact O-N 3.5Å; V580-F582 VanDerWaalsContact O-N 3.11Å; V580-V587 WeakPolarHBondContact O-CA 3.2Å; V580-K588 PolarHBondContact N-O 3.48Å; V580-K588 PolarHBondContact O-N 2.76Å; V580-K625 HydrophobicContact CG1-CG 4.43Å; V580-K625 HydrophobicContact CG2-CG 4.25Å |
| 581 | R | 85.5 | Confident | 86 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 101 | 170.7 | -65.8 | -174.2 | 180 | 178.1 | -6 | 109.8 | V587 Y620 S623 E624 | R581-V587 HydrophobicContact CG-CG2 4.18Å; R581-Y620 VanDerWaalsContact C-OH 3.27Å; R581-Y620 HydrophobicContact CB-CE2 4.07Å; R581-Y620 PolarHBondContact O-OH 2.88Å; R581-Y620 VanDerWaalsContact O-OH 3.09Å; R581-S623 PolarHBondContact O-N 2.75Å; R581-E624 HydrophobicContact CB-CB 4.38Å; R581-E624 HydrophobicContact CG-CB 4.47Å; R581-E624 IonicContact CZ-OE2 3.12Å; R581-E624 PolarHBondContact N-O 2.8Å; R581-E624 IonicContact NE-OE2 3.26Å; R581-E624 IonicContact NH1-OE2 3.84Å; R581-E624 PolarHBondContact NH1-OE2 2.94Å |
| 582 | F | 83.3 | Confident | 86.1 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -55.5 | -171.1 | -171.4 | -80.4 | 0 | 0 | 0 | 111.7 | V580 V586 K588 Y620 Q622 Y887 | V580-F582 PolarHBondContact O-N 3.5Å; V580-F582 VanDerWaalsContact O-N 3.11Å; F582-V586 PolarHBondContact N-O 2.99Å; F582-K588 HydrophobicContact CB-CG 4.29Å; F582-K588 HydrophobicContact CD2-CD 3.81Å; F582-K588 HydrophobicContact CD2-CG 4.17Å; F582-K588 HydrophobicContact CE2-CD 4.11Å; F582-K588 HydrophobicContact CG-CD 4.41Å; F582-K588 HydrophobicContact CG-CG 4.4Å; F582-Y620 PolarHBondContact O-OH 3.02Å; F582-Q622 WeakPolarHBondContact O-CG 3.27Å; F582-Q622 PolarHBondContact O-NE2 2.93Å; F582-Y887 HydrophobicContact CE2-CE1 4.47Å; F582-Y887 AromaticContact CE2-CZ 3.87Å; F582-Y887 WeakPolarHBondContact CE2-OH 3.48Å; F582-Y887 HydrophobicContact CZ-CE2 4.19Å; F582-Y887 AromaticContact CZ-CZ 3.85Å; F582-Y887 WeakPolarHBondContact CZ-OH 3.34Å |
| 583 | E | 83 | Confident | 86.2 | Confident | 92 Ų | 92 | 46.6 Ų | 46.6 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 171.5 | 171.2 | 61 | 179.5 | 172.2 | 0 | 0 | 110 | G585 V586 R611 Y620 | E583-G585 PolarHBondContact O-N 3.18Å; E583-V586 HydrophobicContact CG-CB 3.59Å; E583-V586 HydrophobicContact CG-CG2 3.53Å; E583-V586 PolarHBondContact N-O 3.49Å; E583-V586 PolarHBondContact O-N 3.45Å; E583-V586 VanDerWaalsContact O-O 3.12Å; E583-V586 WeakPolarHBondContact OE1-CG2 3.38Å; E583-R611 IonicContact OE1-NH1 3.65Å; E583-Y620 VanDerWaalsContact C-CZ 3.42Å; E583-Y620 WeakPolarHBondContact CA-OH 3.37Å; E583-Y620 PolarHBondContact N-OH 3.22Å; E583-Y620 VanDerWaalsContact N-OH 3.11Å; E583-Y620 PolarHBondContact O-OH 2.7Å |
| 584 | R | 85.3 | Confident | 86.7 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 111.5 | -177.3 | 177.7 | -175.5 | -75.3 | -81.9 | 4.1 | 109.8 | P614 C615 P616 L618 Y620 | R584-P614 HydrophobicContact CG-CG 3.78Å; R584-C615 PolarHBondContact NH1-O 2.87Å; R584-P616 PolarHBondContact NH1-O 2.74Å; R584-P616 PolarHBondContact NH2-O 2.91Å; R584-P616 VanDerWaalsContact NH2-O 3.09Å; R584-L618 PolarHBondContact NH1-O 3.25Å; R584-L618 PolarHBondContact NH2-O 3.27Å; R584-Y620 HydrophobicContact CB-CD1 4.47Å; R584-Y620 HydrophobicContact CB-CD2 4.31Å; R584-Y620 HydrophobicContact CB-CG 4.27Å |
| 585 | G | 87.7 | Confident | 86.9 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 11.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E583 R611 F612 P614 | E583-G585 PolarHBondContact O-N 3.18Å; G585-R611 CarbonylContact O-C 3.48Å; G585-R611 WeakPolarHBondContact O-CA 3.14Å; G585-F612 VanDerWaalsContact CA-O 3.31Å; G585-F612 WeakPolarHBondContact CA-O 3.45Å; G585-F612 VanDerWaalsContact O-CD1 3.3Å; G585-F612 WeakPolarHBondContact O-CD1 3.34Å; G585-F612 PolarHBondContact O-N 2.78Å; G585-P614 VanDerWaalsContact CA-CD 3.42Å |
| 586 | V | 91.1 | Very high | 87 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 121.5 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | F582 E583 T609 I610 R611 | F582-V586 PolarHBondContact N-O 2.99Å; E583-V586 HydrophobicContact CG-CB 3.59Å; E583-V586 HydrophobicContact CG-CG2 3.53Å; E583-V586 PolarHBondContact N-O 3.49Å; E583-V586 PolarHBondContact O-N 3.45Å; E583-V586 VanDerWaalsContact O-O 3.12Å; E583-V586 WeakPolarHBondContact OE1-CG2 3.38Å; V586-T609 HydrophobicContact CG1-CG2 3.67Å; V586-I610 VanDerWaalsContact CA-O 3.31Å; V586-I610 WeakPolarHBondContact CA-O 2.94Å; V586-R611 HydrophobicContact CG2-CG 4.27Å |
| 587 | V | 90.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140 | 170.1 | 169.1 | 0 | 0 | 0 | 0 | 108 | W501 F579 V580 R581 I610 F612 | W501-V587 HydrophobicContact CZ2-CG2 4.49Å; F579-V587 HydrophobicContact CB-CG1 3.87Å; F579-V587 HydrophobicContact CD1-CG1 3.78Å; F579-V587 HydrophobicContact CG-CG1 4.32Å; V580-V587 WeakPolarHBondContact O-CA 3.2Å; R581-V587 HydrophobicContact CG-CG2 4.18Å; V587-I610 HydrophobicContact CB-CB 4.37Å; V587-I610 PolarHBondContact N-O 3.4Å; V587-I610 PolarHBondContact O-N 2.94Å; V587-F612 HydrophobicContact CG2-CE1 4.1Å |
| 588 | K | 89.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 27% | 0.274 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.6 | 169.6 | -70.1 | -159.8 | 170.9 | -155.4 | 0 | 110.6 | V580 F582 Q608 T609 | V580-K588 PolarHBondContact N-O 3.48Å; V580-K588 PolarHBondContact O-N 2.76Å; F582-K588 HydrophobicContact CB-CG 4.29Å; F582-K588 HydrophobicContact CD2-CD 3.81Å; F582-K588 HydrophobicContact CD2-CG 4.17Å; F582-K588 HydrophobicContact CE2-CD 4.11Å; F582-K588 HydrophobicContact CG-CD 4.41Å; F582-K588 HydrophobicContact CG-CG 4.4Å; K588-Q608 VanDerWaalsContact CA-O 3.32Å; K588-Q608 WeakPolarHBondContact CA-O 3.32Å; K588-T609 WeakPolarHBondContact CE-OG1 3.45Å; K588-T609 HydrophobicContact CG-CG2 4.33Å |
| 589 | S | 89.8 | Confident | 85.2 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.3 | 165.9 | 156.8 | 0 | 0 | 0 | 0 | 108.4 | E578 Q608 | E578-S589 VanDerWaalsContact O-CA 3.3Å; E578-S589 WeakPolarHBondContact O-CA 3.31Å; E578-S589 WeakPolarHBondContact O-CB 3.48Å; E578-S589 PolarHBondContact O-OG 3.09Å; S589-Q608 PolarHBondContact N-O 2.69Å; S589-Q608 WeakPolarHBondContact O-CG 3.09Å; S589-Q608 PolarHBondContact O-N 3.3Å; S589-Q608 PolarHBondContact OG-NE2 3.26Å; S589-Q608 VanDerWaalsContact OG-NE2 3.08Å |
| 590 | Y | 88.4 | Confident | 84.2 | Confident | 129 Ų | 129 | 51 Ų | 51 | 51% | 0.506 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.9 | 171.9 | 176.7 | -89.6 | 0 | 0 | 0 | 107.2 | N592 I605 V606 D607 | Y590-N592 VanDerWaalsContact CE1-OD1 3.26Å; Y590-N592 WeakPolarHBondContact CE1-OD1 3.44Å; Y590-N592 VanDerWaalsContact CZ-OD1 3.25Å; Y590-N592 PolarHBondContact OH-OD1 3.09Å; Y590-I605 HydrophobicContact CE2-CG2 3.6Å; Y590-I605 VanDerWaalsContact OH-CG2 3.28Å; Y590-I605 WeakPolarHBondContact OH-CG2 3.4Å; Y590-V606 CarbonylContact C-O 3.5Å; Y590-V606 VanDerWaalsContact CA-O 3.27Å; Y590-V606 WeakPolarHBondContact CA-O 3.47Å; Y590-D607 HydrophobicContact CD2-CB 4.34Å |
| 591 | S | 82.9 | Confident | 84 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.4 | -173.3 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | V606 | S591-V606 PolarHBondContact N-O 2.82Å; S591-V606 PolarHBondContact O-N 2.84Å |
| 592 | N | 83.4 | Confident | 83.9 | Confident | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 104.4 | 173.4 | -70 | -16.8 | 0 | 0 | 0 | 107.7 | Y590 | Y590-N592 VanDerWaalsContact CE1-OD1 3.26Å; Y590-N592 WeakPolarHBondContact CE1-OD1 3.44Å; Y590-N592 VanDerWaalsContact CZ-OD1 3.25Å; Y590-N592 PolarHBondContact OH-OD1 3.09Å |
| 593 | L | 87.4 | Confident | 84 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 165.9 | -179.9 | -53.1 | 178.4 | 0 | 0 | 0 | 110.1 | F572 H575 V604 V606 | F572-L593 HydrophobicContact CD1-CB 4.05Å; F572-L593 HydrophobicContact CD1-CD1 3.96Å; F572-L593 HydrophobicContact CE1-CB 4.41Å; F572-L593 HydrophobicContact CE1-CD1 4.28Å; H575-L593 HydrophobicContact CB-CD2 4.07Å; L593-V604 HydrophobicContact CB-CB 4.33Å; L593-V604 PolarHBondContact N-O 2.82Å; L593-V604 PolarHBondContact O-N 3.45Å; L593-V606 HydrophobicContact CD1-CG2 4.45Å |
| 594 | V | 86.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 42% | 0.418 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 110.4 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | Q601 | V594-Q601 HydrophobicContact CG1-CB 3.89Å; V594-Q601 HydrophobicContact CG1-CG 4.2Å |
| 595 | A | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L491 V570 D571 F572 Q601 Y602 V604 | L491-A595 HydrophobicContact CD2-CB 3.49Å; L491-A595 VanDerWaalsContact CD2-CB 3.49Å; V570-A595 HydrophobicContact CG1-CB 4.31Å; D571-A595 CarbonylContact O-C 3.52Å; D571-A595 WeakPolarHBondContact O-CA 3.34Å; F572-A595 HydrophobicContact CD1-CB 4.3Å; F572-A595 HydrophobicContact CE1-CB 3.8Å; F572-A595 HydrophobicContact CE2-CB 4.15Å; F572-A595 HydrophobicContact CZ-CB 3.71Å; A595-Q601 WeakPolarHBondContact O-CA 3.41Å; A595-Y602 PolarHBondContact N-O 3.11Å; A595-Y602 PolarHBondContact O-N 2.87Å; A595-V604 HydrophobicContact CB-CG2 3.73Å |
| 596 | R | 87.5 | Confident | 84.5 | Confident | 95 Ų | 95 | 49.2 Ų | 49.2 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.5 | 172.3 | -57.3 | 169.6 | -178.1 | 159.8 | -6.8 | 107.5 | V570 D571 M600 Q601 | V570-R596 CarbonylContact C-O 3.6Å; V570-R596 VanDerWaalsContact CA-O 3.29Å; V570-R596 WeakPolarHBondContact CA-O 3.48Å; D571-R596 HydrophobicContact CB-CB 4.37Å; D571-R596 PolarHBondContact N-O 3.07Å; D571-R596 PolarHBondContact O-N 2.65Å; D571-R596 IonicContact OD2-CZ 3.08Å; D571-R596 IonicContact OD2-NH1 2.65Å; D571-R596 PolarHBondContact OD2-NH1 3.49Å; R596-M600 CarbonylContact C-O 3.6Å; R596-M600 WeakPolarHBondContact CA-O 3.22Å; R596-Q601 HydrophobicContact CG-CG 4.34Å |
| 597 | V | 84.3 | Confident | 84.4 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 98.3 | -177.1 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | L491 V564 A568 V570 Q599 M600 Y602 | L491-V597 HydrophobicContact CD2-CG2 3.77Å; L491-V597 HydrophobicContact CG-CG2 4.43Å; V564-V597 HydrophobicContact CG1-CG1 3.77Å; V564-V597 HydrophobicContact CG2-CG1 4.19Å; A568-V597 HydrophobicContact CB-CG1 3.97Å; V570-V597 HydrophobicContact CG1-CG2 4.15Å; V570-V597 HydrophobicContact CG2-CG1 4.29Å; V570-V597 HydrophobicContact CG2-CG2 4.02Å; V597-Q599 PolarHBondContact O-N 3.36Å; V597-M600 PolarHBondContact N-O 3.5Å; V597-M600 PolarHBondContact O-N 2.61Å; V597-Y602 HydrophobicContact CB-CD2 4.02Å; V597-Y602 HydrophobicContact CB-CE2 3.84Å; V597-Y602 HydrophobicContact CG1-CE2 4.39Å; V597-Y602 HydrophobicContact CG2-CD2 3.61Å; V597-Y602 HydrophobicContact CG2-CE2 3.85Å |
| 598 | G | 72.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -124.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T569 L962 | T569-G598 PolarHBondContact O-N 2.53Å; G598-L962 WeakPolarHBondContact O-CD2 3.26Å |
| 599 | Q | 65.5 | Low | 84.7 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.6 | 176.6 | -49.8 | -158.4 | -6.1 | 0 | 0 | 114.7 | V597 L962 | V597-Q599 PolarHBondContact O-N 3.36Å; Q599-L962 HydrophobicContact CB-CD1 4.14Å; Q599-L962 HydrophobicContact CG-CD1 3.71Å |
| 600 | M | 70.9 | Confident | 85 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 52% | 0.517 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 147.7 | -174.1 | -59.8 | -170.1 | 76.3 | 0 | 0 | 111.4 | R596 V597 Y602 | R596-M600 CarbonylContact C-O 3.6Å; R596-M600 WeakPolarHBondContact CA-O 3.22Å; V597-M600 PolarHBondContact N-O 3.5Å; V597-M600 PolarHBondContact O-N 2.61Å; M600-Y602 HydrophobicContact CB-CD2 4.36Å; M600-Y602 HydrophobicContact CB-CE2 3.74Å |
| 601 | Q | 82.2 | Confident | 85.2 | Confident | 130 Ų | 130 | 49.7 Ų | 49.7 | 61% | 0.607 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.2 | 174.6 | -69.1 | -172.8 | 8.3 | 0 | 0 | 109.9 | V594 A595 R596 | V594-Q601 HydrophobicContact CG1-CB 3.89Å; V594-Q601 HydrophobicContact CG1-CG 4.2Å; A595-Q601 WeakPolarHBondContact O-CA 3.41Å; R596-Q601 HydrophobicContact CG-CG 4.34Å |
| 602 | Y | 83 | Confident | 85.7 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.2 | 175.5 | -65.1 | -97.2 | 0 | 0 | 0 | 108.6 | V530 A531 P562 A595 V597 M600 V604 | V530-Y602 HydrophobicContact CG1-CD1 4.1Å; V530-Y602 HydrophobicContact CG1-CG 4.31Å; A531-Y602 HydrophobicContact CB-CD1 4.08Å; P562-Y602 HydrophobicContact CB-CD1 4.26Å; P562-Y602 HydrophobicContact CB-CE1 3.58Å; P562-Y602 HydrophobicContact CG-CD1 3.7Å; P562-Y602 HydrophobicContact CG-CE1 3.53Å; A595-Y602 PolarHBondContact N-O 3.11Å; A595-Y602 PolarHBondContact O-N 2.87Å; V597-Y602 HydrophobicContact CB-CD2 4.02Å; V597-Y602 HydrophobicContact CB-CE2 3.84Å; V597-Y602 HydrophobicContact CG1-CE2 4.39Å; V597-Y602 HydrophobicContact CG2-CD2 3.61Å; V597-Y602 HydrophobicContact CG2-CE2 3.85Å; M600-Y602 HydrophobicContact CB-CD2 4.36Å; M600-Y602 HydrophobicContact CB-CE2 3.74Å; Y602-V604 PolarHBondContact O-N 3.22Å |
| 603 | P | 85.2 | Confident | 85.9 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.8 | 166.5 | 29.1 | -30.9 | 0 | 0 | 0 | 108.2 | A531 | A531-P603 PolarHBondContact N-O 3.08Å |
| 604 | V | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107.1 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | V528 H529 V530 F572 L593 A595 Y602 V606 | V528-V604 HydrophobicContact CG1-CG1 3.64Å; H529-V604 WeakPolarHBondContact O-CA 3.34Å; V530-V604 HydrophobicContact CG1-CG2 4.22Å; V530-V604 HydrophobicContact CG2-CG1 4.46Å; V530-V604 HydrophobicContact CG2-CG2 4.35Å; F572-V604 HydrophobicContact CE1-CB 4.2Å; F572-V604 HydrophobicContact CE1-CG1 4.25Å; F572-V604 HydrophobicContact CE1-CG2 4.08Å; F572-V604 HydrophobicContact CZ-CG2 4.47Å; L593-V604 HydrophobicContact CB-CB 4.33Å; L593-V604 PolarHBondContact N-O 2.82Å; L593-V604 PolarHBondContact O-N 3.45Å; A595-V604 HydrophobicContact CB-CG2 3.73Å; Y602-V604 PolarHBondContact O-N 3.22Å; V604-V606 HydrophobicContact CG1-CG2 4.13Å |
| 605 | I | 88 | Confident | 85.7 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.6 | 179.7 | -58.5 | 177.4 | 0 | 0 | 0 | 108.4 | V528 H529 Y590 | V528-I605 CarbonylContact C-O 3.57Å; V528-I605 WeakPolarHBondContact CA-O 3.38Å; H529-I605 HydrophobicContact CB-CB 4.32Å; H529-I605 PolarHBondContact N-O 2.86Å; H529-I605 PolarHBondContact O-N 3.38Å; Y590-I605 HydrophobicContact CE2-CG2 3.6Å; Y590-I605 VanDerWaalsContact OH-CG2 3.28Å; Y590-I605 WeakPolarHBondContact OH-CG2 3.4Å |
| 606 | V | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.2 | -177 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | T494 V526 Y590 S591 L593 V604 Q608 | T494-V606 HydrophobicContact CG2-CB 4.26Å; T494-V606 HydrophobicContact CG2-CG1 3.7Å; T494-V606 HydrophobicContact CG2-CG2 3.48Å; T494-V606 VanDerWaalsContact CG2-CG2 3.48Å; V526-V606 HydrophobicContact CG1-CG1 3.77Å; Y590-V606 CarbonylContact C-O 3.5Å; Y590-V606 VanDerWaalsContact CA-O 3.27Å; Y590-V606 WeakPolarHBondContact CA-O 3.47Å; S591-V606 PolarHBondContact N-O 2.82Å; S591-V606 PolarHBondContact O-N 2.84Å; L593-V606 HydrophobicContact CD1-CG2 4.45Å; V604-V606 HydrophobicContact CG1-CG2 4.13Å; V606-Q608 HydrophobicContact CG1-CG 4.46Å |
| 607 | D | 89 | Confident | 85.1 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.5 | 164.3 | -178.1 | -4.7 | 0 | 0 | 0 | 108.1 | V526 T527 Y590 | V526-D607 CarbonylContact C-O 3.48Å; V526-D607 WeakPolarHBondContact CA-O 3.39Å; T527-D607 PolarHBondContact N-O 3.29Å; T527-D607 PolarHBondContact O-N 2.79Å; Y590-D607 HydrophobicContact CD2-CB 4.34Å |
| 608 | Q | 93.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.7 | -178.7 | 59.6 | -177.6 | -40.3 | 0 | 0 | 112.7 | S525 V526 E577 K588 S589 V606 | S525-Q608 WeakPolarHBondContact O-CA 3.41Å; V526-Q608 HydrophobicContact CB-CB 4.33Å; V526-Q608 HydrophobicContact CG1-CB 4.1Å; V526-Q608 HydrophobicContact CG2-CB 3.91Å; E577-Q608 PolarHBondContact OE2-NE2 2.89Å; K588-Q608 VanDerWaalsContact CA-O 3.32Å; K588-Q608 WeakPolarHBondContact CA-O 3.32Å; S589-Q608 PolarHBondContact N-O 2.69Å; S589-Q608 WeakPolarHBondContact O-CG 3.09Å; S589-Q608 PolarHBondContact O-N 3.3Å; S589-Q608 PolarHBondContact OG-NE2 3.26Å; S589-Q608 VanDerWaalsContact OG-NE2 3.08Å; V606-Q608 HydrophobicContact CG1-CG 4.46Å |
| 609 | T | 93.4 | Very high | 84.8 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.1 | 174 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | R524 S525 V586 K588 R611 | R524-T609 WeakPolarHBondContact CA-O 3.5Å; S525-T609 PolarHBondContact N-O 2.59Å; S525-T609 PolarHBondContact O-N 3.33Å; V586-T609 HydrophobicContact CG1-CG2 3.67Å; K588-T609 WeakPolarHBondContact CE-OG1 3.45Å; K588-T609 HydrophobicContact CG-CG2 4.33Å; T609-R611 HydrophobicContact CG2-CG 4.27Å |
| 610 | I | 94.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | 176.4 | -69.8 | 168.8 | 0 | 0 | 0 | 108.4 | W501 L522 R524 F579 V586 V587 F612 | W501-I610 HydrophobicContact CD2-CD1 4.18Å; W501-I610 HydrophobicContact CE3-CD1 3.92Å; W501-I610 HydrophobicContact CH2-CD1 4.27Å; W501-I610 HydrophobicContact CH2-CG2 4.1Å; W501-I610 HydrophobicContact CZ3-CD1 3.97Å; W501-I610 HydrophobicContact CZ3-CG2 4.24Å; L522-I610 HydrophobicContact CB-CG2 4.33Å; L522-I610 HydrophobicContact CD1-CG2 4.16Å; L522-I610 HydrophobicContact CD2-CG2 4.18Å; L522-I610 HydrophobicContact CG-CG2 4.48Å; R524-I610 HydrophobicContact CB-CG1 4.11Å; R524-I610 HydrophobicContact CG-CG1 3.89Å; F579-I610 HydrophobicContact CD1-CD1 4.48Å; F579-I610 HydrophobicContact CE1-CD1 4.05Å; V586-I610 VanDerWaalsContact CA-O 3.31Å; V586-I610 WeakPolarHBondContact CA-O 2.94Å; V587-I610 HydrophobicContact CB-CB 4.37Å; V587-I610 PolarHBondContact N-O 3.4Å; V587-I610 PolarHBondContact O-N 2.94Å; I610-F612 HydrophobicContact CG2-CD1 4.28Å |
| 611 | R | 93.8 | Very high | 85.2 | Confident | 138 Ų | 138 | 57 Ų | 57 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134 | 177.7 | -60.8 | -171.6 | 175.8 | -86.2 | 4.6 | 110.7 | L522 N523 E583 G585 V586 T609 | L522-R611 CarbonylContact C-O 3.6Å; L522-R611 WeakPolarHBondContact CA-O 2.97Å; N523-R611 PolarHBondContact N-O 2.92Å; N523-R611 PolarHBondContact O-N 2.83Å; E583-R611 IonicContact OE1-NH1 3.65Å; G585-R611 CarbonylContact O-C 3.48Å; G585-R611 WeakPolarHBondContact O-CA 3.14Å; V586-R611 HydrophobicContact CG2-CG 4.27Å; T609-R611 HydrophobicContact CG2-CG 4.27Å |
| 612 | F | 93.2 | Very high | 84.7 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 169.5 | -179.3 | 64.1 | -75.8 | 0 | 0 | 0 | 110.6 | L517 T518 L522 G585 V587 I610 P614 | L517-F612 HydrophobicContact CB-CE2 4.19Å; L517-F612 HydrophobicContact CB-CZ 4.35Å; L517-F612 VanDerWaalsContact O-CD2 3.29Å; L517-F612 WeakPolarHBondContact O-CD2 3.36Å; L517-F612 WeakPolarHBondContact O-CE2 3.16Å; T518-F612 HydrophobicContact CG2-CB 3.89Å; T518-F612 HydrophobicContact CG2-CD1 4.09Å; T518-F612 HydrophobicContact CG2-CD2 3.78Å; T518-F612 HydrophobicContact CG2-CE2 4.26Å; T518-F612 HydrophobicContact CG2-CG 3.68Å; L522-F612 HydrophobicContact CB-CB 4.06Å; G585-F612 VanDerWaalsContact CA-O 3.31Å; G585-F612 WeakPolarHBondContact CA-O 3.45Å; G585-F612 VanDerWaalsContact O-CD1 3.3Å; G585-F612 WeakPolarHBondContact O-CD1 3.34Å; G585-F612 PolarHBondContact O-N 2.78Å; V587-F612 HydrophobicContact CG2-CE1 4.1Å; I610-F612 HydrophobicContact CG2-CD1 4.28Å; F612-P614 HydrophobicContact CD2-CB 4.17Å; F612-P614 HydrophobicContact CD2-CG 4.31Å; F612-P614 HydrophobicContact CE2-CB 3.78Å; F612-P614 HydrophobicContact CE2-CG 4.03Å; F612-P614 WeakPolarHBondContact O-CD 3.39Å |
| 613 | Q | 87.3 | Confident | 84.2 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | trans | -111.7 | 77.9 | -176.1 | -165.6 | 174.4 | -18.5 | 0 | 0 | 112.8 | Y397 | Y397-Q613 HydrophobicContact CD2-CG 4.42Å; Y397-Q613 HydrophobicContact CE2-CG 3.77Å; Y397-Q613 PolarHBondContact OH-O 3.33Å | ||
| 614 | P | 86.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | trans | -68.2 | 157.2 | -179.2 | 29.9 | -36.5 | 0 | 0 | 0 | 112.2 | R584 G585 F612 | R584-P614 HydrophobicContact CG-CG 3.78Å; G585-P614 VanDerWaalsContact CA-CD 3.42Å; F612-P614 HydrophobicContact CD2-CB 4.17Å; F612-P614 HydrophobicContact CD2-CG 4.31Å; F612-P614 HydrophobicContact CE2-CB 3.78Å; F612-P614 HydrophobicContact CE2-CG 4.03Å; F612-P614 WeakPolarHBondContact O-CD 3.39Å | ||
| 615 | C | 82.7 | Confident | 83.7 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 10% | 0.101 | 31% | 0.308 | C | S | . | . | trans | -56 | 123 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | Y397 S421 C422 R584 Y617 L618 | Y397-C615 HydrophobicContact CE1-CB 4.24Å; Y397-C615 WeakPolarHBondContact OH-CA 3.29Å; Y397-C615 PolarHBondContact OH-N 2.88Å; S421-C615 PolarHBondContact O-SG 2.61Å; C422-C615 WeakPolarHBondContact CA-SG 3.33Å; C422-C615 HydrophobicContact CB-CB 3.73Å; C422-C615 WeakPolarHBondContact CB-SG 3.2Å; C422-C615 WeakPolarHBondContact SG-CB 3Å; C422-C615 CovalentContact SG-SG 2.03Å; C422-C615 PolarHBondContact SG-SG 2.95Å; R584-C615 PolarHBondContact NH1-O 2.87Å; C615-Y617 PolarHBondContact O-N 2.7Å; C615-L618 HydrophobicContact CB-CB 4.29Å; C615-L618 WeakPolarHBondContact O-CB 3.33Å; C615-L618 PolarHBondContact O-N 2.85Å | ||
| 616 | P | 79.2 | Confident | 83.6 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.4 | -172.3 | 27.1 | -34.7 | 0 | 0 | 0 | 112.6 | Y397 R584 | Y397-P616 HydrophobicContact CD1-CG 3.9Å; Y397-P616 HydrophobicContact CE1-CG 4.29Å; R584-P616 PolarHBondContact NH1-O 2.74Å; R584-P616 PolarHBondContact NH2-O 2.91Å; R584-P616 VanDerWaalsContact NH2-O 3.09Å |
| 617 | Y | 83.6 | Confident | 83.4 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -13.3 | -179.3 | -44.3 | -65.1 | 0 | 0 | 0 | 113.6 | E419 S421 C615 | E419-Y617 VanDerWaalsContact C-CE1 3.47Å; E419-Y617 HydrophobicContact CB-CD1 3.84Å; E419-Y617 HydrophobicContact CB-CE1 4.04Å; E419-Y617 WeakPolarHBondContact O-CE1 3.46Å; S421-Y617 VanDerWaalsContact O-CD2 3.29Å; S421-Y617 WeakPolarHBondContact O-CD2 3.08Å; C615-Y617 PolarHBondContact O-N 2.7Å |
| 618 | L | 78.2 | Confident | 83.5 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -67.9 | 135.4 | 176 | -155.9 | 97.4 | 0 | 0 | 0 | 109.2 | C422 R584 C615 Y620 | C422-L618 HydrophobicContact CB-CD1 4.23Å; C422-L618 PolarHBondContact SG-N 2.74Å; C422-L618 VanDerWaalsContact SG-N 3.37Å; R584-L618 PolarHBondContact NH1-O 3.25Å; R584-L618 PolarHBondContact NH2-O 3.27Å; C615-L618 HydrophobicContact CB-CB 4.29Å; C615-L618 WeakPolarHBondContact O-CB 3.33Å; C615-L618 PolarHBondContact O-N 2.85Å; L618-Y620 PolarHBondContact O-N 2.96Å |
| 619 | P | 72.4 | Confident | 83.4 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 63% | 0.63 | 30% | 0.299 | S | S | * | . | trans | -57.6 | 127.1 | 175.1 | -26.6 | 35.9 | 0 | 0 | 0 | 111.9 | Y417 | Y417-P619 HydrophobicContact CE1-CG 4.35Š| ||
| 620 | Y | 73.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | -108.7 | 136.6 | 177.9 | 174.6 | -102.6 | 0 | 0 | 0 | 110.2 | R581 F582 E583 R584 L618 Q622 | R581-Y620 VanDerWaalsContact C-OH 3.27Å; R581-Y620 HydrophobicContact CB-CE2 4.07Å; R581-Y620 PolarHBondContact O-OH 2.88Å; R581-Y620 VanDerWaalsContact O-OH 3.09Å; F582-Y620 PolarHBondContact O-OH 3.02Å; E583-Y620 VanDerWaalsContact C-CZ 3.42Å; E583-Y620 WeakPolarHBondContact CA-OH 3.37Å; E583-Y620 PolarHBondContact N-OH 3.22Å; E583-Y620 VanDerWaalsContact N-OH 3.11Å; E583-Y620 PolarHBondContact O-OH 2.7Å; R584-Y620 HydrophobicContact CB-CD1 4.47Å; R584-Y620 HydrophobicContact CB-CD2 4.31Å; R584-Y620 HydrophobicContact CB-CG 4.27Å; L618-Y620 PolarHBondContact O-N 2.96Å; Y620-Q622 HydrophobicContact CE1-CB 3.81Å; Y620-Q622 HydrophobicContact CE1-CG 4.39Å | ||
| 621 | R | 72.4 | Confident | 82.6 | Confident | 168 Ų | 168 | 63.7 Ų | 63.7 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | trans | -115.6 | 121.7 | 170.4 | -75.3 | 169.9 | 168.6 | -178.7 | -1.6 | 109 | E624 | R621-E624 HydrophobicContact CB-CB 3.96Å; R621-E624 WeakPolarHBondContact CD-OE1 3.12Å; R621-E624 IonicContact CZ-OE1 2.75Å; R621-E624 IonicContact NE-OE1 3.8Å; R621-E624 IonicContact NH1-OE1 3.67Å; R621-E624 PolarHBondContact NH1-OE1 3.4Å | ||
| 622 | Q | 71.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 144.7 | 173.4 | -167.7 | 163.9 | 25.6 | 0 | 0 | 110.4 | F582 Y620 E624 | F582-Q622 WeakPolarHBondContact O-CG 3.27Å; F582-Q622 PolarHBondContact O-NE2 2.93Å; Y620-Q622 HydrophobicContact CE1-CB 3.81Å; Y620-Q622 HydrophobicContact CE1-CG 4.39Å; Q622-E624 PolarHBondContact O-N 2.66Å |
| 623 | S | 72.3 | Confident | 81 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 22.4 | -178.7 | -49.8 | 0 | 0 | 0 | 0 | 114.3 | R581 K625 | R581-S623 PolarHBondContact O-N 2.75Å; S623-K625 PolarHBondContact O-N 2.9Å |
| 624 | E | 79.3 | Confident | 80.5 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | trans | -73.5 | 122.9 | 168.9 | -175.9 | 164.6 | -115.1 | 0 | 0 | 108.8 | R581 R621 Q622 | R581-E624 HydrophobicContact CB-CB 4.38Å; R581-E624 HydrophobicContact CG-CB 4.47Å; R581-E624 IonicContact CZ-OE2 3.12Å; R581-E624 PolarHBondContact N-O 2.8Å; R581-E624 IonicContact NE-OE2 3.26Å; R581-E624 IonicContact NH1-OE2 3.84Å; R581-E624 PolarHBondContact NH1-OE2 2.94Å; R621-E624 HydrophobicContact CB-CB 3.96Å; R621-E624 WeakPolarHBondContact CD-OE1 3.12Å; R621-E624 IonicContact CZ-OE1 2.75Å; R621-E624 IonicContact NE-OE1 3.8Å; R621-E624 IonicContact NH1-OE1 3.67Å; R621-E624 PolarHBondContact NH1-OE1 3.4Å; Q622-E624 PolarHBondContact O-N 2.66Å | ||
| 625 | K | 82.7 | Confident | 80.4 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.7 | -174.7 | -60.2 | 178.2 | 163.3 | -131.3 | 0 | 110.8 | E578 F579 V580 S623 P655 | E578-K625 HydrophobicContact CG-CB 4.41Å; E578-K625 HydrophobicContact CG-CD 4.49Å; E578-K625 VanDerWaalsContact OE1-CE 3.26Å; E578-K625 WeakPolarHBondContact OE1-CE 3.37Å; E578-K625 IonicContact OE1-NZ 2.66Å; E578-K625 PolarHBondContact OE1-NZ 2.91Å; E578-K625 WeakPolarHBondContact OE2-CD 3.44Å; E578-K625 IonicContact OE2-NZ 3.56Å; E578-K625 PolarHBondContact OE2-NZ 3.08Å; F579-K625 CarbonylContact O-C 3.48Å; F579-K625 WeakPolarHBondContact O-CA 3.45Å; V580-K625 HydrophobicContact CG1-CG 4.43Å; V580-K625 HydrophobicContact CG2-CG 4.25Å; S623-K625 PolarHBondContact O-N 2.9Å; K625-P655 HydrophobicContact CB-CG 3.8Å; K625-P655 HydrophobicContact CD-CG 4.49Å; K625-P655 WeakPolarHBondContact O-CD 3.46Å |
| 626 | L | 86.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.2 | 169.3 | -65.1 | 173.6 | 0 | 0 | 0 | 108 | V511 L517 F579 I652 I654 | V511-L626 HydrophobicContact CG1-CD2 4.15Å; L517-L626 HydrophobicContact CD1-CD1 4.45Å; F579-L626 HydrophobicContact CB-CB 4.45Å; F579-L626 PolarHBondContact N-O 3.46Å; F579-L626 PolarHBondContact O-N 3.29Å; L626-I652 HydrophobicContact CB-CG2 4.24Å; L626-I652 HydrophobicContact CD2-CG2 4.5Å; L626-I654 HydrophobicContact CD2-CG1 4.25Å |
| 627 | L | 87.4 | Confident | 80.8 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120 | 175.2 | -156.3 | 67.1 | 0 | 0 | 0 | 108.1 | F576 E578 I652 E653 P655 | F576-L627 HydrophobicContact CB-CD1 3.95Å; F576-L627 HydrophobicContact CB-CD2 4.26Å; F576-L627 HydrophobicContact CB-CG 4.01Å; F576-L627 HydrophobicContact CD1-CD2 3.44Å; F576-L627 VanDerWaalsContact CD1-CD2 3.44Å; F576-L627 HydrophobicContact CD1-CG 3.77Å; F576-L627 HydrophobicContact CE1-CD2 3.96Å; F576-L627 HydrophobicContact CG-CD2 4.08Å; F576-L627 HydrophobicContact CG-CG 4.29Å; E578-L627 HydrophobicContact CB-CD1 4.17Å; E578-L627 HydrophobicContact CG-CD1 4.46Å; L627-I652 WeakPolarHBondContact O-CA 3.18Å; L627-E653 HydrophobicContact CB-CG 3.96Å; L627-E653 HydrophobicContact CD2-CG 4.43Å; L627-E653 PolarHBondContact N-O 2.79Å; L627-E653 PolarHBondContact O-N 2.85Å; L627-P655 HydrophobicContact CB-CG 4.11Å |
| 628 | L | 91 | Very high | 80.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.3 | 167.7 | 172.8 | 67.8 | 0 | 0 | 0 | 107.3 | G500 W501 F576 E577 F579 V630 N650 I652 | G500-L628 WeakPolarHBondContact O-CD1 3.36Å; W501-L628 HydrophobicContact CB-CD2 4.22Å; F576-L628 CarbonylContact C-O 3.6Å; F576-L628 VanDerWaalsContact CA-O 3.26Å; F576-L628 WeakPolarHBondContact CA-O 3.38Å; E577-L628 HydrophobicContact CB-CB 4.32Å; E577-L628 HydrophobicContact CB-CD2 4.47Å; E577-L628 PolarHBondContact N-O 3.43Å; E577-L628 PolarHBondContact O-N 2.81Å; F579-L628 HydrophobicContact CD2-CB 4.1Å; F579-L628 HydrophobicContact CE2-CB 3.83Å; F579-L628 HydrophobicContact CE2-CD2 3.82Å; F579-L628 HydrophobicContact CE2-CG 4.48Å; F579-L628 HydrophobicContact CZ-CD2 4.41Å; L628-V630 HydrophobicContact CD2-CG2 4.02Å; L628-V630 HydrophobicContact CG-CG2 3.93Å; L628-N650 HydrophobicContact CD1-CB 4.05Å; L628-I652 HydrophobicContact CD1-CD1 4.21Å; L628-I652 HydrophobicContact CD1-CG1 3.77Å |
| 629 | K | 89.3 | Confident | 80.7 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.6 | 166.7 | -171 | -176.6 | -174.2 | -154.7 | 0 | 108.7 | E574 F576 E631 N650 S651 | E574-K629 WeakPolarHBondContact OE2-CE 3.38Å; E574-K629 IonicContact OE2-NZ 3.18Å; E574-K629 PolarHBondContact OE2-NZ 3.02Å; F576-K629 HydrophobicContact CD1-CB 3.75Å; F576-K629 HydrophobicContact CD1-CG 3.83Å; F576-K629 HydrophobicContact CE1-CB 3.68Å; F576-K629 HydrophobicContact CE1-CD 3.77Å; F576-K629 HydrophobicContact CE1-CG 3.47Å; F576-K629 VanDerWaalsContact CE1-CG 3.47Å; F576-K629 HydrophobicContact CZ-CD 3.99Å; F576-K629 HydrophobicContact CZ-CG 3.99Å; K629-E631 HydrophobicContact CD-CG 3.83Å; K629-E631 WeakPolarHBondContact CE-OE1 3.41Å; K629-E631 HydrophobicContact CG-CG 4.06Å; K629-E631 IonicContact NZ-OE1 3.66Å; K629-E631 PolarHBondContact NZ-OE1 2.84Å; K629-N650 WeakPolarHBondContact O-CA 3.33Å; K629-S651 PolarHBondContact N-O 3.48Å; K629-S651 PolarHBondContact O-N 2.89Å |
| 630 | V | 89.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.3 | 174.7 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | E574 H575 L628 | E574-V630 WeakPolarHBondContact CA-O 3.28Å; H575-V630 PolarHBondContact N-O 2.97Å; H575-V630 PolarHBondContact O-N 3.12Å; L628-V630 HydrophobicContact CD2-CG2 4.02Å; L628-V630 HydrophobicContact CG-CG2 3.93Å |
| 631 | E | 82.2 | Confident | 80.8 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.1 | 177.5 | -61.1 | -175.5 | 150.8 | 0 | 0 | 110.1 | K629 S633 G649 | K629-E631 HydrophobicContact CD-CG 3.83Å; K629-E631 WeakPolarHBondContact CE-OE1 3.41Å; K629-E631 HydrophobicContact CG-CG 4.06Å; K629-E631 IonicContact NZ-OE1 3.66Å; K629-E631 PolarHBondContact NZ-OE1 2.84Å; E631-S633 PolarHBondContact O-N 3.15Å; E631-S633 VanDerWaalsContact O-N 3.08Å; E631-G649 PolarHBondContact N-O 3.27Å; E631-G649 PolarHBondContact O-N 3.19Å; E631-G649 VanDerWaalsContact O-O 3.12Å |
| 632 | R | 76.9 | Confident | 81.5 | Confident | 184 Ų | 184 | 61.5 Ų | 61.5 | 69% | 0.694 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 36.6 | 172.2 | -52 | 176.5 | -172.4 | 177.4 | 1.6 | 113.6 | ||
| 633 | S | 78 | Confident | 82.3 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.4 | 177.2 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | G573 E631 A647 | G573-S633 PolarHBondContact O-OG 3.07Å; E631-S633 PolarHBondContact O-N 3.15Å; E631-S633 VanDerWaalsContact O-N 3.08Å; S633-A647 CarbonylContact C-O 3.53Å; S633-A647 VanDerWaalsContact CA-O 3.26Å; S633-A647 WeakPolarHBondContact CA-O 3.42Å |
| 634 | Y | 77 | Confident | 83.3 | Confident | 109 Ų | 109 | 52.2 Ų | 52.2 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.1 | 167.9 | 66.2 | -93.4 | 0 | 0 | 0 | 111.9 | V636 Y646 A647 | Y634-V636 HydrophobicContact CD2-CG2 4.03Å; Y634-Y646 WeakPolarHBondContact O-CA 3.32Å; Y634-A647 HydrophobicContact CD1-CB 4.11Å; Y634-A647 HydrophobicContact CD2-CB 4.46Å; Y634-A647 HydrophobicContact CE1-CB 3.57Å; Y634-A647 HydrophobicContact CE2-CB 3.96Å; Y634-A647 VanDerWaalsContact CZ-CB 3.5Å; Y634-A647 PolarHBondContact N-O 2.74Å; Y634-A647 PolarHBondContact O-N 3.29Å |
| 635 | S | 83.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.4 | 177.3 | 20.4 | 0 | 0 | 0 | 0 | 108.7 | V570 R645 | V570-S635 PolarHBondContact O-OG 3.07Å; S635-R645 WeakPolarHBondContact CA-O 3.23Å |
| 636 | V | 84 | Confident | 84.2 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.9 | -172.4 | 163.7 | 0 | 0 | 0 | 0 | 109.5 | Y634 V644 R645 Q967 | Y634-V636 HydrophobicContact CD2-CG2 4.03Å; V636-V644 CarbonylContact O-C 3.57Å; V636-R645 HydrophobicContact CB-CB 4.49Å; V636-R645 PolarHBondContact N-O 3.21Å; V636-R645 PolarHBondContact O-N 3.05Å; V636-Q967 VanDerWaalsContact CG1-NE2 3.25Å; V636-Q967 HydrophobicContact CG2-CG 3.59Å |
| 637 | Y | 87.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.3 | 160.9 | -176.4 | -125.4 | 0 | 0 | 0 | 109 | I481 Q483 P487 L639 I643 V644 | I481-Y637 HydrophobicContact CB-CE2 4.29Å; I481-Y637 HydrophobicContact CG2-CE2 4.33Å; I481-Y637 PolarHBondContact O-OH 2.76Å; I481-Y637 VanDerWaalsContact O-OH 3.06Å; Q483-Y637 WeakPolarHBondContact CA-OH 3.48Å; P487-Y637 HydrophobicContact CG-CD1 3.89Å; P487-Y637 HydrophobicContact CG-CE1 4.32Å; Y637-L639 HydrophobicContact CE1-CB 4.26Å; Y637-L639 HydrophobicContact CE1-CD1 3.78Å; Y637-I643 WeakPolarHBondContact CD2-O 3.14Å; Y637-V644 HydrophobicContact CD2-CB 4.46Å; Y637-V644 HydrophobicContact CD2-CG2 3.53Å; Y637-V644 HydrophobicContact CE2-CG2 4.05Å; Y637-V644 HydrophobicContact CG-CG2 4.48Å |
| 638 | D | 82.5 | Confident | 84.5 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 100.1 | 175.2 | -166.8 | -32.4 | 0 | 0 | 0 | 108.1 | G640 E641 Q642 I643 R645 | D638-G640 VanDerWaalsContact C-N 3.27Å; D638-G640 PolarHBondContact O-N 2.89Å; D638-G640 PolarHBondContact OD1-N 2.7Å; D638-E641 HydrophobicContact CB-CB 4.21Å; D638-E641 PolarHBondContact O-N 3.36Å; D638-E641 PolarHBondContact OD1-N 3.13Å; D638-E641 WeakPolarHBondContact OD2-CG 3.42Å; D638-Q642 VanDerWaalsContact O-CA 3.29Å; D638-Q642 WeakPolarHBondContact O-CA 3.27Å; D638-Q642 PolarHBondContact O-N 3.23Å; D638-I643 HydrophobicContact CB-CB 4.41Å; D638-I643 PolarHBondContact N-O 2.97Å; D638-I643 PolarHBondContact O-N 3.14Å; D638-I643 VanDerWaalsContact O-N 3.12Å; D638-R645 IonicContact OD2-CZ 3.71Å; D638-R645 VanDerWaalsContact OD2-CZ 3.23Å; D638-R645 IonicContact OD2-NH1 2.71Å; D638-R645 PolarHBondContact OD2-NH1 2.88Å; D638-R645 IonicContact OD2-NH2 3.64Å; D638-R645 PolarHBondContact OD2-NH2 2.95Å |
| 639 | L | 77.5 | Confident | 84.4 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.2 | -174.5 | -176.5 | 67.2 | 0 | 0 | 0 | 112.6 | Q483 Y637 | Q483-L639 HydrophobicContact CB-CD1 4.02Å; Q483-L639 HydrophobicContact CG-CD1 3.75Å; Q483-L639 PolarHBondContact NE2-O 3.3Å; Q483-L639 VanDerWaalsContact NE2-O 3.08Å; Y637-L639 HydrophobicContact CE1-CB 4.26Å; Y637-L639 HydrophobicContact CE1-CD1 3.78Å |
| 640 | G | 69.2 | Low | 84.5 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 74% | 0.742 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -39.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D638 | D638-G640 VanDerWaalsContact C-N 3.27Å; D638-G640 PolarHBondContact O-N 2.89Å; D638-G640 PolarHBondContact OD1-N 2.7Å |
| 641 | E | 77.8 | Confident | 84.6 | Confident | 126 Ų | 126 | 48.4 Ų | 48.4 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.1 | 178 | -57.2 | -80.8 | 144.1 | 0 | 0 | 112.9 | D638 I643 | D638-E641 HydrophobicContact CB-CB 4.21Å; D638-E641 PolarHBondContact O-N 3.36Å; D638-E641 PolarHBondContact OD1-N 3.13Å; D638-E641 WeakPolarHBondContact OD2-CG 3.42Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 HydrophobicContact CB-CB 4.31Å; E641-I643 HydrophobicContact CB-CD1 3.81Å; E641-I643 HydrophobicContact CB-CG1 3.66Å; E641-I643 WeakPolarHBondContact O-CG1 3.27Å; E641-I643 PolarHBondContact O-N 3.27Å |
| 642 | Q | 86.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 40.5 | -167.2 | -64.7 | -174.7 | -15.3 | 0 | 0 | 113.3 | R480 I481 Q483 D638 | R480-Q642 PolarHBondContact N-O 2.82Å; I481-Q642 PolarHBondContact N-O 2.9Å; Q483-Q642 HydrophobicContact CG-CG 4.28Å; D638-Q642 VanDerWaalsContact O-CA 3.29Å; D638-Q642 WeakPolarHBondContact O-CA 3.27Å; D638-Q642 PolarHBondContact O-N 3.23Å |
| 643 | I | 89.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.2 | -176 | -53.6 | -176.4 | 0 | 0 | 0 | 112.1 | A477 F478 Y637 D638 E641 R645 | A477-I643 HydrophobicContact CB-CG2 3.81Å; F478-I643 CarbonylContact O-C 3.58Å; F478-I643 VanDerWaalsContact O-CA 3.27Å; F478-I643 WeakPolarHBondContact O-CA 3.25Å; F478-I643 WeakPolarHBondContact O-CG2 3.23Å; Y637-I643 WeakPolarHBondContact CD2-O 3.14Å; D638-I643 HydrophobicContact CB-CB 4.41Å; D638-I643 PolarHBondContact N-O 2.97Å; D638-I643 PolarHBondContact O-N 3.14Å; D638-I643 VanDerWaalsContact O-N 3.12Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 HydrophobicContact CB-CB 4.31Å; E641-I643 HydrophobicContact CB-CD1 3.81Å; E641-I643 HydrophobicContact CB-CG1 3.66Å; E641-I643 WeakPolarHBondContact O-CG1 3.27Å; E641-I643 PolarHBondContact O-N 3.27Å; I643-R645 HydrophobicContact CB-CG 4.39Å; I643-R645 HydrophobicContact CG2-CG 3.51Å |
| 644 | V | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119 | 164.7 | 179 | 0 | 0 | 0 | 0 | 109.1 | A477 F478 I481 M489 L490 V636 Y637 Y646 | A477-V644 CarbonylContact C-O 3.59Å; A477-V644 WeakPolarHBondContact CA-O 2.97Å; F478-V644 PolarHBondContact N-O 3.15Å; F478-V644 PolarHBondContact O-N 2.71Å; I481-V644 HydrophobicContact CB-CG2 4.21Å; I481-V644 HydrophobicContact CG1-CB 4.48Å; I481-V644 HydrophobicContact CG1-CG2 4.02Å; I481-V644 HydrophobicContact CG2-CG2 3.89Å; M489-V644 HydrophobicContact CB-CG1 4.49Å; M489-V644 HydrophobicContact CB-CG2 4.09Å; M489-V644 HydrophobicContact SD-CG2 4.49Å; L490-V644 HydrophobicContact CD2-CG1 3.95Å; V636-V644 CarbonylContact O-C 3.57Å; Y637-V644 HydrophobicContact CD2-CB 4.46Å; Y637-V644 HydrophobicContact CD2-CG2 3.53Å; Y637-V644 HydrophobicContact CE2-CG2 4.05Å; Y637-V644 HydrophobicContact CG-CG2 4.48Å; V644-Y646 HydrophobicContact CG1-CD2 4.39Å; V644-Y646 HydrophobicContact CG1-CE1 4.25Å; V644-Y646 HydrophobicContact CG1-CE2 3.62Å; V644-Y646 WeakPolarHBondContact CG1-OH 3.09Å |
| 645 | R | 90.8 | Very high | 84.5 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.9 | -179 | -54.7 | -170.6 | -170 | 104.9 | 0.3 | 111.3 | T476 A477 S635 V636 D638 I643 | T476-R645 CarbonylContact O-C 3.5Å; T476-R645 VanDerWaalsContact O-CA 3.31Å; T476-R645 WeakPolarHBondContact O-CA 3.46Å; A477-R645 HydrophobicContact CB-CG 4.22Å; S635-R645 WeakPolarHBondContact CA-O 3.23Å; V636-R645 HydrophobicContact CB-CB 4.49Å; V636-R645 PolarHBondContact N-O 3.21Å; V636-R645 PolarHBondContact O-N 3.05Å; D638-R645 IonicContact OD2-CZ 3.71Å; D638-R645 VanDerWaalsContact OD2-CZ 3.23Å; D638-R645 IonicContact OD2-NH1 2.71Å; D638-R645 PolarHBondContact OD2-NH1 2.88Å; D638-R645 IonicContact OD2-NH2 3.64Å; D638-R645 PolarHBondContact OD2-NH2 2.95Å; I643-R645 HydrophobicContact CB-CG 4.39Å; I643-R645 HydrophobicContact CG2-CG 3.51Å |
| 646 | Y | 91.8 | Very high | 83.1 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.5 | 171.8 | -51.9 | -84.3 | 0 | 0 | 0 | 109.5 | T476 F478 M489 L492 L495 Y634 V644 | T476-Y646 HydrophobicContact CG2-CD2 4.42Å; T476-Y646 PolarHBondContact N-O 2.69Å; T476-Y646 PolarHBondContact O-N 3.22Å; T476-Y646 VanDerWaalsContact O-O 3.11Å; F478-Y646 HydrophobicContact CD2-CD2 4.11Å; F478-Y646 AromaticContact CD2-CE2 3.73Å; F478-Y646 HydrophobicContact CD2-CE2 3.73Å; F478-Y646 AromaticContact CE2-CD2 3.96Å; F478-Y646 HydrophobicContact CE2-CD2 3.96Å; F478-Y646 AromaticContact CE2-CE2 3.67Å; F478-Y646 HydrophobicContact CE2-CE2 3.67Å; M489-Y646 PolarHBondContact O-OH 2.82Å; L492-Y646 PolarHBondContact O-OH 2.04Å; L495-Y646 HydrophobicContact CB-CE2 3.97Å; L495-Y646 HydrophobicContact CD1-CE2 4.23Å; Y634-Y646 WeakPolarHBondContact O-CA 3.32Å; V644-Y646 HydrophobicContact CG1-CD2 4.39Å; V644-Y646 HydrophobicContact CG1-CE1 4.25Å; V644-Y646 HydrophobicContact CG1-CE2 3.62Å; V644-Y646 WeakPolarHBondContact CG1-OH 3.09Å |
| 647 | A | 88.5 | Confident | 81.3 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T474 Y475 S633 Y634 | T474-A647 WeakPolarHBondContact O-CA 3.47Å; T474-A647 WeakPolarHBondContact O-CB 3.43Å; Y475-A647 HydrophobicContact CD1-CB 3.58Å; Y475-A647 HydrophobicContact CE1-CB 4.12Å; Y475-A647 HydrophobicContact CG-CB 4.28Å; S633-A647 CarbonylContact C-O 3.53Å; S633-A647 VanDerWaalsContact CA-O 3.26Å; S633-A647 WeakPolarHBondContact CA-O 3.42Å; Y634-A647 HydrophobicContact CD1-CB 4.11Å; Y634-A647 HydrophobicContact CD2-CB 4.46Å; Y634-A647 HydrophobicContact CE1-CB 3.57Å; Y634-A647 HydrophobicContact CE2-CB 3.96Å; Y634-A647 VanDerWaalsContact CZ-CB 3.5Å; Y634-A647 PolarHBondContact N-O 2.74Å; Y634-A647 PolarHBondContact O-N 3.29Å |
| 648 | S | 90 | Very high | 79 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 157.5 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | R473 T474 N650 | R473-S648 WeakPolarHBondContact CA-O 3.49Å; T474-S648 PolarHBondContact N-O 2.86Å; T474-S648 PolarHBondContact O-N 3.38Å; T474-S648 VanDerWaalsContact O-N 3.1Å; T474-S648 PolarHBondContact OG1-OG 3.14Å; S648-N650 PolarHBondContact O-ND2 3.39Å; S648-N650 VanDerWaalsContact OG-CG 3.23Å; S648-N650 PolarHBondContact OG-ND2 3.02Å; S648-N650 PolarHBondContact OG-OD1 3.04Å |
| 649 | G | 89 | Confident | 76.6 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E631 | E631-G649 PolarHBondContact N-O 3.27Å; E631-G649 PolarHBondContact O-N 3.19Å; E631-G649 VanDerWaalsContact O-O 3.12Å |
| 650 | N | 92.9 | Very high | 75.1 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.7 | -170.5 | -50.1 | -85.9 | 0 | 0 | 0 | 110.9 | G472 T474 G500 G504 K505 L628 K629 S648 | G472-N650 WeakPolarHBondContact CA-O 3.5Å; G472-N650 WeakPolarHBondContact O-CB 3.44Å; G472-N650 PolarHBondContact O-N 3.37Å; G472-N650 PolarHBondContact O-ND2 2.83Å; T474-N650 PolarHBondContact OG1-ND2 2.71Å; G500-N650 VanDerWaalsContact CA-OD1 3.31Å; G500-N650 WeakPolarHBondContact CA-OD1 3.49Å; G504-N650 CarbonylContact C-O 3.53Å; G504-N650 WeakPolarHBondContact CA-O 3.36Å; K505-N650 PolarHBondContact N-O 3.48Å; L628-N650 HydrophobicContact CD1-CB 4.05Å; K629-N650 WeakPolarHBondContact O-CA 3.33Å; S648-N650 PolarHBondContact O-ND2 3.39Å; S648-N650 VanDerWaalsContact OG-CG 3.23Å; S648-N650 PolarHBondContact OG-ND2 3.02Å; S648-N650 PolarHBondContact OG-OD1 3.04Å |
| 651 | S | 90.6 | Very high | 74.1 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | K505 K629 | K505-S651 CarbonylContact O-C 3.56Å; K505-S651 VanDerWaalsContact O-CA 3.3Å; K505-S651 WeakPolarHBondContact O-CA 3.33Å; K629-S651 PolarHBondContact N-O 3.48Å; K629-S651 PolarHBondContact O-N 2.89Å |
| 652 | I | 88.8 | Confident | 73 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.9 | -176.4 | -55.7 | -178 | 0 | 0 | 0 | 108.8 | W501 K505 P506 T507 V511 N513 L626 L627 L628 | W501-I652 WeakPolarHBondContact O-CD1 3Å; K505-I652 PolarHBondContact O-N 2.03Å; P506-I652 WeakPolarHBondContact CA-O 3.36Å; T507-I652 PolarHBondContact N-O 2.74Å; T507-I652 PolarHBondContact OG1-O 2.93Å; V511-I652 HydrophobicContact CG1-CB 4.19Å; V511-I652 HydrophobicContact CG1-CG2 3.72Å; V511-I652 WeakPolarHBondContact CG1-O 3.21Å; N513-I652 HydrophobicContact CB-CD1 3.63Å; L626-I652 HydrophobicContact CB-CG2 4.24Å; L626-I652 HydrophobicContact CD2-CG2 4.5Å; L627-I652 WeakPolarHBondContact O-CA 3.18Å; L628-I652 HydrophobicContact CD1-CD1 4.21Å; L628-I652 HydrophobicContact CD1-CG1 3.77Å |
| 653 | E | 83.9 | Confident | 72 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 172 | -178.2 | 63.2 | -173.9 | -178.7 | 0 | 0 | 111.4 | T507 L627 | T507-E653 HydrophobicContact CG2-CB 4.13Å; T507-E653 VanDerWaalsContact OG1-CB 3.27Å; T507-E653 WeakPolarHBondContact OG1-CB 3.39Å; L627-E653 HydrophobicContact CB-CG 3.96Å; L627-E653 HydrophobicContact CD2-CG 4.43Å; L627-E653 PolarHBondContact N-O 2.79Å; L627-E653 PolarHBondContact O-N 2.85Å |
| 654 | I | 74.2 | Confident | 71.4 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 32% | 0.323 | 26% | 0.256 | S | S | . | . | trans | -94.8 | 130.9 | 170.5 | -73.5 | 154.5 | 0 | 0 | 0 | 107.7 | V511 L626 G656 A657 | V511-I654 HydrophobicContact CG2-CD1 3.81Å; V511-I654 HydrophobicContact CG2-CG1 3.95Å; L626-I654 HydrophobicContact CD2-CG1 4.25Å; I654-G656 PolarHBondContact O-N 3.02Å; I654-A657 HydrophobicContact CB-CB 3.8Å; I654-A657 HydrophobicContact CG2-CB 4.2Å; I654-A657 VanDerWaalsContact O-CB 3.26Å; I654-A657 WeakPolarHBondContact O-CB 3.48Å; I654-A657 PolarHBondContact O-N 2.95Å | ||
| 655 | P | 65.9 | Low | 70.4 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 116.1 | 176.2 | -28.2 | 34 | 0 | 0 | 0 | 112.3 | K625 L627 | K625-P655 HydrophobicContact CB-CG 3.8Å; K625-P655 HydrophobicContact CD-CG 4.49Å; K625-P655 WeakPolarHBondContact O-CD 3.46Å; L627-P655 HydrophobicContact CB-CG 4.11Å |
| 656 | G | 53.5 | Low | 69.2 | Low | 60 Ų | 60 | 52.5 Ų | 52.5 | 62% | 0.619 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | I654 V658 | I654-G656 PolarHBondContact O-N 3.02Å; G656-V658 PolarHBondContact O-N 2.91Å |
| 657 | A | 45.6 | Very low | 68.1 | Low | 43 Ų | 43 | 54.7 Ų | 54.7 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | trans | -78 | 54.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I654 A659 | I654-A657 HydrophobicContact CB-CB 3.8Å; I654-A657 HydrophobicContact CG2-CB 4.2Å; I654-A657 VanDerWaalsContact O-CB 3.26Å; I654-A657 WeakPolarHBondContact O-CB 3.48Å; I654-A657 PolarHBondContact O-N 2.95Å; A657-A659 PolarHBondContact O-N 3.41Å | ||
| 658 | V | 38 | Very low | 67.2 | Low | 71 Ų | 71 | 59 Ų | 59 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | trans | -76.6 | 97.2 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | G656 Q660 N662 | G656-V658 PolarHBondContact O-N 2.91Å; V658-Q660 HydrophobicContact CG1-CB 4.32Å; V658-Q660 WeakPolarHBondContact CG1-O 3.48Å; V658-N662 HydrophobicContact CG1-CB 3.91Å | ||
| 659 | A | 33.7 | Very low | 66.7 | Low | 81 Ų | 81 | 60.6 Ų | 60.6 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | trans | -100.7 | 3.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A657 | A657-A659 PolarHBondContact O-N 3.41Š| ||
| 660 | Q | 44.9 | Very low | 66 | Low | 120 Ų | 120 | 66.2 Ų | 66.2 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -70.8 | 150.8 | 155.5 | -63.6 | 179.2 | -0.4 | 0 | 0 | 108.7 | V658 N662 | V658-Q660 HydrophobicContact CG1-CB 4.32Å; V658-Q660 WeakPolarHBondContact CG1-O 3.48Å; Q660-N662 PolarHBondContact O-N 3.17Å |
| 661 | Q | 48.3 | Very low | 65.3 | Low | 126 Ų | 126 | 66.6 Ų | 66.6 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | trans | -65.5 | 95.9 | 176.5 | -69.8 | -166.7 | -87.2 | 0 | 0 | 110 | P663 E666 | Q661-P663 WeakPolarHBondContact O-CD 3.46Å; Q661-E666 WeakPolarHBondContact CA-OE1 3.35Å; Q661-E666 PolarHBondContact NE2-OE2 2.79Å | ||
| 662 | N | 55.6 | Low | 64.5 | Low | 29 Ų | 29 | 71 Ų | 71 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | trans | -75.5 | 106.1 | 179.3 | -177.3 | -49.5 | 0 | 0 | 0 | 107.9 | V658 Q660 C664 R665 E666 | V658-N662 HydrophobicContact CG1-CB 3.91Å; Q660-N662 PolarHBondContact O-N 3.17Å; N662-C664 PolarHBondContact O-N 2.84Å; N662-C664 WeakPolarHBondContact OD1-CB 3.45Å; N662-C664 PolarHBondContact OD1-N 2.8Å; N662-R665 HydrophobicContact CB-CB 3.81Å; N662-R665 PolarHBondContact O-N 3.41Å; N662-R665 PolarHBondContact OD1-N 2.82Å; N662-E666 PolarHBondContact O-N 3.17Å | ||
| 663 | P | 65.9 | Low | 63.8 | Low | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.058 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.7 | -32.9 | -168 | -18.4 | 33.8 | 0 | 0 | 0 | 110.8 | Q661 R665 G667 I668 H669 Y685 | Q661-P663 WeakPolarHBondContact O-CD 3.46Å; P663-R665 VanDerWaalsContact C-N 3.33Å; P663-R665 PolarHBondContact O-N 3.32Å; P663-G667 PolarHBondContact O-N 3.46Å; P663-I668 HydrophobicContact CB-CB 4.36Å; P663-I668 VanDerWaalsContact CB-O 3.24Å; P663-I668 WeakPolarHBondContact CB-O 3.35Å; P663-I668 PolarHBondContact O-N 3.27Å; P663-H669 PolarHBondContact O-CD2 3.15Å; P663-Y685 HydrophobicContact CB-CD1 3.55Å; P663-Y685 HydrophobicContact CB-CE1 4.41Å; P663-Y685 HydrophobicContact CB-CG 4.12Å; P663-Y685 HydrophobicContact CG-CD1 3.96Å; P663-Y685 HydrophobicContact CG-CG 4.49Å |
| 664 | C | 77 | Confident | 63.5 | Low | 33 Ų | 33 | 73.1 Ų | 73.1 | 22% | 0.223 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.6 | -29.9 | 174.4 | -47.8 | 0 | 0 | 0 | 0 | 113.8 | N662 C678 I679 | N662-C664 PolarHBondContact O-N 2.84Å; N662-C664 WeakPolarHBondContact OD1-CB 3.45Å; N662-C664 PolarHBondContact OD1-N 2.8Å; C664-C678 WeakPolarHBondContact CA-SG 3.28Å; C664-C678 HydrophobicContact CB-CB 3.55Å; C664-C678 WeakPolarHBondContact CB-SG 3.22Å; C664-C678 WeakPolarHBondContact SG-CB 3.44Å; C664-C678 PolarHBondContact SG-O 3.46Å; C664-C678 VanDerWaalsContact SG-O 3.36Å; C664-C678 CovalentContact SG-SG 2.03Å; C664-C678 PolarHBondContact SG-SG 3.44Å; C664-I679 VanDerWaalsContact SG-C 3.6Å |
| 665 | R | 70.5 | Confident | 64 | Low | 186 Ų | 186 | 72.5 Ų | 72.5 | 70% | 0.702 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -92.8 | -27.6 | -178.9 | -156.9 | -177.5 | -164.1 | 176.9 | 8.8 | 112.8 | N662 P663 | N662-R665 HydrophobicContact CB-CB 3.81Å; N662-R665 PolarHBondContact O-N 3.41Å; N662-R665 PolarHBondContact OD1-N 2.82Å; P663-R665 VanDerWaalsContact C-N 3.33Å; P663-R665 PolarHBondContact O-N 3.32Å |
| 666 | E | 65.6 | Low | 64.9 | Low | 101 Ų | 101 | 71.3 Ų | 71.3 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -87.7 | -10.7 | 175.9 | -67.6 | -177.2 | -165.3 | 0 | 0 | 113 | Q661 N662 I668 | Q661-E666 WeakPolarHBondContact CA-OE1 3.35Å; Q661-E666 PolarHBondContact NE2-OE2 2.79Å; N662-E666 PolarHBondContact O-N 3.17Å; E666-I668 HydrophobicContact CB-CD1 3.81Å; E666-I668 HydrophobicContact CB-CG1 3.81Å; E666-I668 WeakPolarHBondContact OE2-CD1 3.27Å |
| 667 | G | 67 | Low | 66.4 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 58% | 0.577 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 21.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | P663 H669 | P663-G667 PolarHBondContact O-N 3.46Å; G667-H669 VanDerWaalsContact C-N 3.33Å; G667-H669 PolarHBondContact O-N 3.06Å |
| 668 | I | 70.9 | Confident | 68.2 | Low | 98 Ų | 98 | 71.9 Ų | 71.9 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | trans | -98.3 | 53.8 | -179.1 | -46.1 | 177.1 | 0 | 0 | 0 | 108.6 | P663 E666 Y685 | P663-I668 HydrophobicContact CB-CB 4.36Å; P663-I668 VanDerWaalsContact CB-O 3.24Å; P663-I668 WeakPolarHBondContact CB-O 3.35Å; P663-I668 PolarHBondContact O-N 3.27Å; E666-I668 HydrophobicContact CB-CD1 3.81Å; E666-I668 HydrophobicContact CB-CG1 3.81Å; E666-I668 WeakPolarHBondContact OE2-CD1 3.27Å; I668-Y685 WeakPolarHBondContact O-CE1 3.29Å | ||
| 669 | H | 78.3 | Confident | 70.2 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | trans | -145.1 | 142.2 | -177.8 | 68.7 | 90.9 | 0 | 0 | 0 | 113 | P663 G667 C671 C678 Y685 | P663-H669 PolarHBondContact O-CD2 3.15Å; G667-H669 VanDerWaalsContact C-N 3.33Å; G667-H669 PolarHBondContact O-N 3.06Å; H669-C671 VanDerWaalsContact C-N 3.3Å; H669-C671 WeakPolarHBondContact ND1-CB 3.47Å; H669-C671 PolarHBondContact ND1-N 3.03Å; H669-C671 PolarHBondContact O-N 3.4Å; H669-C678 VanDerWaalsContact CB-SG 3.58Å; H669-C678 VanDerWaalsContact CG-SG 3.58Å; H669-Y685 HydrophobicContact CB-CD1 4.15Å; H669-Y685 HydrophobicContact CB-CD2 3.85Å; H669-Y685 HydrophobicContact CB-CE1 4.07Å; H669-Y685 HydrophobicContact CB-CE2 3.81Å; H669-Y685 HydrophobicContact CB-CG 4.04Å | ||
| 670 | D | 74.1 | Confident | 71.9 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 70% | 0.695 | 38% | 0.382 | S | S | * | . | trans | -86.4 | 7 | 177.1 | -70.6 | -45.2 | 0 | 0 | 0 | 114.1 | V672 Y685 | D670-V672 PolarHBondContact O-N 2.6Å; D670-Y685 PolarHBondContact N-OH 2.9Å; D670-Y685 PolarHBondContact OD2-OH 2.79Å | ||
| 671 | C | 79.9 | Confident | 72.9 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | trans | -71.9 | 71.2 | 174.4 | -42.5 | 0 | 0 | 0 | 0 | 111.5 | H669 M676 C678 C687 | H669-C671 VanDerWaalsContact C-N 3.3Å; H669-C671 WeakPolarHBondContact ND1-CB 3.47Å; H669-C671 PolarHBondContact ND1-N 3.03Å; H669-C671 PolarHBondContact O-N 3.4Å; C671-M676 HydrophobicContact CB-CB 4.47Å; C671-C678 HydrophobicContact CB-CB 4.09Å; C671-C687 WeakPolarHBondContact CA-SG 3.42Å; C671-C687 HydrophobicContact CB-CB 3.8Å; C671-C687 WeakPolarHBondContact CB-SG 3.46Å; C671-C687 WeakPolarHBondContact SG-CA 3.06Å; C671-C687 WeakPolarHBondContact SG-CB 3.22Å; C671-C687 CovalentContact SG-SG 2.04Å; C671-C687 PolarHBondContact SG-SG 3.11Å | ||
| 672 | V | 73.6 | Confident | 73.2 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 72% | 0.715 | 36% | 0.36 | S | S | * | . | trans | -110.5 | 6.7 | -173.1 | -58.1 | 0 | 0 | 0 | 0 | 114 | D670 | D670-V672 PolarHBondContact O-N 2.6Š| ||
| 673 | G | 73.1 | Confident | 73.1 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -72.1 | 155.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M676 | G673-M676 PolarHBondContact N-SD 3.1Å; G673-M676 PolarHBondContact O-N 3.12Å |
| 674 | A | 78.5 | Confident | 72.6 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 142.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M676 C707 | A674-M676 PolarHBondContact O-N 3.01Å; A674-C707 WeakPolarHBondContact O-CB 3.43Å |
| 675 | H | 84.6 | Confident | 72.7 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 15.9 | 179.9 | -45.5 | -48.3 | 0 | 0 | 0 | 115.3 | C689 Q690 Y693 C707 E730 | H675-C689 CarbonylContact O-C 3.56Å; H675-C689 WeakPolarHBondContact O-CA 3.4Å; H675-Q690 PolarHBondContact O-N 3.4Å; H675-Y693 HydrophobicContact CB-CD1 3.82Å; H675-Y693 HydrophobicContact CB-CD2 3.96Å; H675-Y693 HydrophobicContact CB-CE1 4.02Å; H675-Y693 HydrophobicContact CB-CE2 4.12Å; H675-Y693 HydrophobicContact CB-CG 3.8Å; H675-Y693 AromaticContact CD2-CD1 3.51Å; H675-Y693 AromaticContact CD2-CE1 3.03Å; H675-Y693 WeakPolarHBondContact CD2-CE1 3.43Å; H675-Y693 AromaticContact CD2-CZ 3.51Å; H675-Y693 AromaticContact CE1-CZ 3.76Å; H675-Y693 PolarHBondContact CE1-OH 2.86Å; H675-Y693 AromaticContact CG-CD1 3.82Å; H675-Y693 AromaticContact CG-CE1 3.5Å; H675-Y693 VanDerWaalsContact CG-CE1 3.5Å; H675-Y693 AromaticContact CG-CE2 3.99Å; H675-Y693 AromaticContact CG-CZ 3.57Å; H675-Y693 AromaticContact ND1-CZ 3.82Å; H675-Y693 AromaticContact NE2-CE1 3.42Å; H675-Y693 WeakPolarHBondContact NE2-CE1 3.13Å; H675-Y693 AromaticContact NE2-CZ 3.61Å; H675-Y693 PolarHBondContact NE2-OH 2.88Å; H675-C707 HydrophobicContact CB-CB 3.96Å; H675-E730 IonicContact CD2-OE1 3.31Å; H675-E730 IonicContact CE1-OE1 2.79Å; H675-E730 IonicContact NE2-OE1 2.71Å; H675-E730 PolarHBondContact NE2-OE1 3.44Å |
| 676 | M | 84.7 | Confident | 73.2 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 142.7 | 168.4 | -77.5 | -174.8 | 152.1 | 0 | 0 | 111.8 | C671 G673 A674 C687 A688 M695 M705 C707 | C671-M676 HydrophobicContact CB-CB 4.47Å; G673-M676 PolarHBondContact N-SD 3.1Å; G673-M676 PolarHBondContact O-N 3.12Å; A674-M676 PolarHBondContact O-N 3.01Å; M676-C687 HydrophobicContact CE-CB 4.38Å; M676-C687 HydrophobicContact SD-CB 4.48Å; M676-A688 CarbonylContact C-O 3.45Å; M676-A688 WeakPolarHBondContact CA-O 3.35Å; M676-M695 HydrophobicContact CE-SD 3.68Å; M676-M705 HydrophobicContact CE-CB 3.73Å; M676-M705 VanDerWaalsContact CE-O 3.22Å; M676-M705 WeakPolarHBondContact CE-O 3.43Å; M676-C707 VanDerWaalsContact CG-SG 3.52Å |
| 677 | M | 84.6 | Confident | 74.1 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.2 | 167.6 | -55.5 | -161.3 | -68.8 | 0 | 0 | 109.7 | C687 A688 C689 Q690 | M677-C687 WeakPolarHBondContact O-CA 3.19Å; M677-A688 PolarHBondContact N-O 2.78Å; M677-A688 PolarHBondContact O-N 2.78Å; M677-C689 WeakPolarHBondContact CE-O 3.03Å; M677-Q690 HydrophobicContact CG-CG 3.5Å; M677-Q690 HydrophobicContact SD-CG 3.88Å |
| 678 | C | 82.9 | Confident | 74.9 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.6 | 167.3 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | C664 H669 C671 | C664-C678 WeakPolarHBondContact CA-SG 3.28Å; C664-C678 HydrophobicContact CB-CB 3.55Å; C664-C678 WeakPolarHBondContact CB-SG 3.22Å; C664-C678 WeakPolarHBondContact SG-CB 3.44Å; C664-C678 PolarHBondContact SG-O 3.46Å; C664-C678 VanDerWaalsContact SG-O 3.36Å; C664-C678 CovalentContact SG-SG 2.03Å; C664-C678 PolarHBondContact SG-SG 3.44Å; H669-C678 VanDerWaalsContact CB-SG 3.58Å; H669-C678 VanDerWaalsContact CG-SG 3.58Å; C671-C678 HydrophobicContact CB-CB 4.09Å |
| 679 | I | 81 | Confident | 75.6 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.2 | 174.1 | -57.3 | 174.8 | 0 | 0 | 0 | 107.4 | C664 Y685 R686 A688 | C664-I679 VanDerWaalsContact SG-C 3.6Å; I679-Y685 CarbonylContact O-C 3.56Å; I679-Y685 VanDerWaalsContact O-CA 3.32Å; I679-Y685 WeakPolarHBondContact O-CA 3.25Å; I679-R686 HydrophobicContact CB-CG 3.88Å; I679-R686 HydrophobicContact CG2-CG 4.41Å; I679-R686 PolarHBondContact N-O 2.04Å; I679-R686 PolarHBondContact O-N 2.99Å; I679-A688 HydrophobicContact CD1-CB 3.67Å; I679-A688 HydrophobicContact CG1-CB 4.38Å |
| 680 | A | 68.9 | Low | 75.9 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 681 | E | 64.9 | Low | 76.1 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 66.4 | 178.2 | -67.5 | -177.7 | 160.5 | 0 | 0 | 108.2 | S683 R684 R686 | E681-S683 PolarHBondContact O-N 2.85Å; E681-R684 CarbonylContact C-O 3.53Å; E681-R684 HydrophobicContact CB-CB 4.02Å; E681-R684 PolarHBondContact N-O 3.05Å; E681-R684 PolarHBondContact O-N 2.75Å; E681-R686 VanDerWaalsContact OE1-CD 3.23Å; E681-R686 WeakPolarHBondContact OE1-CD 3.44Å; E681-R686 IonicContact OE1-CZ 3.99Å; E681-R686 IonicContact OE1-NE 3.01Å; E681-R686 IonicContact OE1-NH1 3.66Å; E681-R686 PolarHBondContact OE1-NH1 3.3Å |
| 682 | G | 56.6 | Low | 76 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -104.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 683 | S | 52.7 | Low | 76.7 | Confident | 95 Ų | 95 | 63.2 Ų | 63.2 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.4 | 173.5 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | E681 | E681-S683 PolarHBondContact O-N 2.85Š|
| 684 | R | 54.9 | Low | 77.1 | Confident | 148 Ų | 148 | 65.5 Ų | 65.5 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 170.4 | 170.5 | -63.9 | -178.6 | 179.9 | -179.1 | -0.3 | 109.6 | E681 D1300 | E681-R684 CarbonylContact C-O 3.53Å; E681-R684 HydrophobicContact CB-CB 4.02Å; E681-R684 PolarHBondContact N-O 3.05Å; E681-R684 PolarHBondContact O-N 2.75Å; R684-D1300 IonicContact CZ-OD2 2.92Å; R684-D1300 IonicContact NH1-OD2 2.98Å; R684-D1300 IonicContact NH2-OD2 2.7Å; R684-D1300 PolarHBondContact NH2-OD2 3.2Å |
| 685 | Y | 79 | Confident | 77.2 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.4 | 168.8 | 69.5 | -89.7 | 0 | 0 | 0 | 110.4 | P663 I668 H669 D670 I679 | P663-Y685 HydrophobicContact CB-CD1 3.55Å; P663-Y685 HydrophobicContact CB-CE1 4.41Å; P663-Y685 HydrophobicContact CB-CG 4.12Å; P663-Y685 HydrophobicContact CG-CD1 3.96Å; P663-Y685 HydrophobicContact CG-CG 4.49Å; I668-Y685 WeakPolarHBondContact O-CE1 3.29Å; H669-Y685 HydrophobicContact CB-CD1 4.15Å; H669-Y685 HydrophobicContact CB-CD2 3.85Å; H669-Y685 HydrophobicContact CB-CE1 4.07Å; H669-Y685 HydrophobicContact CB-CE2 3.81Å; H669-Y685 HydrophobicContact CB-CG 4.04Å; D670-Y685 PolarHBondContact N-OH 2.9Å; D670-Y685 PolarHBondContact OD2-OH 2.79Å; I679-Y685 CarbonylContact O-C 3.56Å; I679-Y685 VanDerWaalsContact O-CA 3.32Å; I679-Y685 WeakPolarHBondContact O-CA 3.25Å |
| 686 | R | 82.2 | Confident | 76.6 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.1 | 165.7 | 67.5 | 173.2 | -173.8 | -108 | 5.4 | 110.5 | I679 E681 | I679-R686 HydrophobicContact CB-CG 3.88Å; I679-R686 HydrophobicContact CG2-CG 4.41Å; I679-R686 PolarHBondContact N-O 2.04Å; I679-R686 PolarHBondContact O-N 2.99Å; E681-R686 VanDerWaalsContact OE1-CD 3.23Å; E681-R686 WeakPolarHBondContact OE1-CD 3.44Å; E681-R686 IonicContact OE1-CZ 3.99Å; E681-R686 IonicContact OE1-NE 3.01Å; E681-R686 IonicContact OE1-NH1 3.66Å; E681-R686 PolarHBondContact OE1-NH1 3.3Å |
| 687 | C | 83.9 | Confident | 75.4 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.1 | 168.3 | -50.1 | 0 | 0 | 0 | 0 | 108.9 | C671 M676 M677 | C671-C687 WeakPolarHBondContact CA-SG 3.42Å; C671-C687 HydrophobicContact CB-CB 3.8Å; C671-C687 WeakPolarHBondContact CB-SG 3.46Å; C671-C687 WeakPolarHBondContact SG-CA 3.06Å; C671-C687 WeakPolarHBondContact SG-CB 3.22Å; C671-C687 CovalentContact SG-SG 2.04Å; C671-C687 PolarHBondContact SG-SG 3.11Å; M676-C687 HydrophobicContact CE-CB 4.38Å; M676-C687 HydrophobicContact SD-CB 4.48Å; M677-C687 WeakPolarHBondContact O-CA 3.19Å |
| 688 | A | 83.7 | Confident | 74.1 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 168.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | M676 M677 I679 | M676-A688 CarbonylContact C-O 3.45Å; M676-A688 WeakPolarHBondContact CA-O 3.35Å; M677-A688 PolarHBondContact N-O 2.78Å; M677-A688 PolarHBondContact O-N 2.78Å; I679-A688 HydrophobicContact CD1-CB 3.67Å; I679-A688 HydrophobicContact CG1-CB 4.38Å |
| 689 | C | 86.2 | Confident | 72.4 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 156.9 | 166.6 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | H675 M677 Y693 Q694 C707 | H675-C689 CarbonylContact O-C 3.56Å; H675-C689 WeakPolarHBondContact O-CA 3.4Å; M677-C689 WeakPolarHBondContact CE-O 3.03Å; C689-Y693 VanDerWaalsContact CB-O 3.23Å; C689-Y693 WeakPolarHBondContact CB-O 3.32Å; C689-Q694 VanDerWaalsContact SG-C 3.59Å; C689-C707 WeakPolarHBondContact CA-SG 3.09Å; C689-C707 HydrophobicContact CB-CB 3.82Å; C689-C707 WeakPolarHBondContact CB-SG 3.35Å; C689-C707 WeakPolarHBondContact SG-CB 3.45Å; C689-C707 CovalentContact SG-SG 2.04Å; C689-C707 PolarHBondContact SG-SG 2.75Å |
| 690 | Q | 84.1 | Confident | 70.8 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156.5 | 165.1 | -72.1 | 176.4 | -4.6 | 0 | 0 | 110.2 | H675 M677 Y693 | H675-Q690 PolarHBondContact O-N 3.4Å; M677-Q690 HydrophobicContact CG-CG 3.5Å; M677-Q690 HydrophobicContact SD-CG 3.88Å; Q690-Y693 HydrophobicContact CB-CD2 3.78Å; Q690-Y693 HydrophobicContact CB-CE2 4.24Å; Q690-Y693 WeakPolarHBondContact O-CB 3.44Å; Q690-Y693 PolarHBondContact O-N 2.04Å |
| 691 | E | 77.8 | Confident | 70 | Confident | 183 Ų | 183 | 86 Ų | 86 | 86% | 0.855 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 141.7 | 173.4 | -163.7 | 159.6 | -169.2 | 0 | 0 | 110.1 | Y693 | E691-Y693 VanDerWaalsContact C-N 3.34Å; E691-Y693 WeakPolarHBondContact O-CD2 3.22Å |
| 692 | G | 77.9 | Confident | 69.1 | Low | 14 Ų | 14 | 85.7 Ų | 85.7 | 14% | 0.144 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V710 | G692-V710 WeakPolarHBondContact O-CB 3.29Å; G692-V710 PolarHBondContact O-N 2.76Å |
| 693 | Y | 88.1 | Confident | 68.9 | Low | 31 Ų | 31 | 94.1 Ų | 94.1 | 12% | 0.122 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.9 | -179.5 | -57.4 | -92.5 | 0 | 0 | 0 | 113.4 | H675 C689 Q690 E691 T708 D709 E730 G731 | H675-Y693 HydrophobicContact CB-CD1 3.82Å; H675-Y693 HydrophobicContact CB-CD2 3.96Å; H675-Y693 HydrophobicContact CB-CE1 4.02Å; H675-Y693 HydrophobicContact CB-CE2 4.12Å; H675-Y693 HydrophobicContact CB-CG 3.8Å; H675-Y693 AromaticContact CD2-CD1 3.51Å; H675-Y693 AromaticContact CD2-CE1 3.03Å; H675-Y693 WeakPolarHBondContact CD2-CE1 3.43Å; H675-Y693 AromaticContact CD2-CZ 3.51Å; H675-Y693 AromaticContact CE1-CZ 3.76Å; H675-Y693 PolarHBondContact CE1-OH 2.86Å; H675-Y693 AromaticContact CG-CD1 3.82Å; H675-Y693 AromaticContact CG-CE1 3.5Å; H675-Y693 VanDerWaalsContact CG-CE1 3.5Å; H675-Y693 AromaticContact CG-CE2 3.99Å; H675-Y693 AromaticContact CG-CZ 3.57Å; H675-Y693 AromaticContact ND1-CZ 3.82Å; H675-Y693 AromaticContact NE2-CE1 3.42Å; H675-Y693 WeakPolarHBondContact NE2-CE1 3.13Å; H675-Y693 AromaticContact NE2-CZ 3.61Å; H675-Y693 PolarHBondContact NE2-OH 2.88Å; C689-Y693 VanDerWaalsContact CB-O 3.23Å; C689-Y693 WeakPolarHBondContact CB-O 3.32Å; Q690-Y693 HydrophobicContact CB-CD2 3.78Å; Q690-Y693 HydrophobicContact CB-CE2 4.24Å; Q690-Y693 WeakPolarHBondContact O-CB 3.44Å; Q690-Y693 PolarHBondContact O-N 2.04Å; E691-Y693 VanDerWaalsContact C-N 3.34Å; E691-Y693 WeakPolarHBondContact O-CD2 3.22Å; Y693-T708 CarbonylContact C-O 3.58Å; Y693-T708 VanDerWaalsContact CA-O 3.26Å; Y693-T708 WeakPolarHBondContact CA-O 3.22Å; Y693-D709 HydrophobicContact CE1-CB 4.41Å; Y693-E730 HydrophobicContact CE1-CG 4.2Å; Y693-E730 PolarHBondContact OH-O 3.03Å; Y693-G731 VanDerWaalsContact CE2-CA 3.43Å; Y693-G731 VanDerWaalsContact CZ-CA 3.43Å; Y693-G731 WeakPolarHBondContact OH-CA 3.14Å; Y693-G731 PolarHBondContact OH-N 2.7Å |
| 694 | Q | 82.4 | Confident | 69.2 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.8 | 177.4 | 62.8 | -179.6 | -35.4 | 0 | 0 | 111.7 | C689 C707 T708 V710 | C689-Q694 VanDerWaalsContact SG-C 3.59Å; Q694-C707 CarbonylContact O-C 3.53Å; Q694-C707 WeakPolarHBondContact O-CA 3.47Å; Q694-T708 VanDerWaalsContact CG-OG1 3.27Å; Q694-T708 WeakPolarHBondContact CG-OG1 3.41Å; Q694-T708 PolarHBondContact N-O 3.19Å; Q694-T708 PolarHBondContact O-N 2.85Å; Q694-T708 PolarHBondContact O-OG1 2.85Å; Q694-V710 HydrophobicContact CB-CG2 3.67Å; Q694-V710 HydrophobicContact CG-CG2 3.8Å |
| 695 | M | 80.2 | Confident | 69.8 | Low | 80 Ų | 80 | 94.8 Ų | 94.8 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.6 | -178.9 | -164.7 | 127.5 | 66.1 | 0 | 0 | 111.6 | M676 M705 | M676-M695 HydrophobicContact CE-SD 3.68Å; M695-M705 HydrophobicContact CE-SD 4.02Å; M695-M705 HydrophobicContact CG-CB 3.84Å; M695-M705 HydrophobicContact CG-CG 4.21Å; M695-M705 HydrophobicContact CG-SD 4.12Å; M695-M705 HydrophobicContact SD-CB 3.81Å; M695-M705 HydrophobicContact SD-CG 4.42Å; M695-M705 HydrophobicContact SD-SD 4.01Å |
| 696 | Q | 72.3 | Confident | 69.8 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.2 | 173 | -64.6 | -171.5 | 3.9 | 0 | 0 | 110.8 | M705 F706 T708 | Q696-M705 CarbonylContact O-C 3.44Å; Q696-M705 WeakPolarHBondContact O-CA 3.2Å; Q696-F706 HydrophobicContact CB-CD1 4.35Å; Q696-F706 HydrophobicContact CB-CE1 3.78Å; Q696-F706 HydrophobicContact CB-CE2 4.17Å; Q696-F706 HydrophobicContact CB-CZ 3.68Å; Q696-F706 PolarHBondContact N-O 3.39Å; Q696-F706 WeakPolarHBondContact O-CD1 3.42Å; Q696-F706 PolarHBondContact O-N 3.37Å; Q696-T708 HydrophobicContact CB-CG2 4.42Å; Q696-T708 VanDerWaalsContact CD-OG1 3.26Å; Q696-T708 HydrophobicContact CG-CG2 4.16Å; Q696-T708 PolarHBondContact NE2-OG1 2.83Å |
| 697 | A | 59.4 | Low | 69.9 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 60% | 0.603 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 139.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 698 | T | 57.1 | Low | 70 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | trans | -74.7 | 144.5 | 171.3 | 47 | 0 | 0 | 0 | 0 | 111.9 | E700 D702 R704 F706 | T698-E700 PolarHBondContact O-N 3.44Å; T698-E700 VanDerWaalsContact O-N 3.09Å; T698-D702 PolarHBondContact OG1-O 2.81Å; T698-R704 PolarHBondContact N-O 3.03Å; T698-R704 VanDerWaalsContact N-O 3.11Å; T698-R704 PolarHBondContact OG1-O 3.49Å; T698-R704 VanDerWaalsContact OG1-O 3.12Å; T698-F706 HydrophobicContact CG2-CD1 3.79Å; T698-F706 HydrophobicContact CG2-CE1 3.61Å | ||
| 699 | N | 47.9 | Very low | 70.2 | Confident | 149 Ų | 149 | 90.5 Ų | 90.5 | 80% | 0.797 | 45% | 0.452 | S | S | * | . | trans | -55.4 | 110.8 | -174.1 | -67.1 | -15.9 | 0 | 0 | 0 | 114 | V701 | N699-V701 PolarHBondContact O-N 2.04Š| ||
| 700 | E | 46.1 | Very low | 70.1 | Confident | 200 Ų | 200 | 90.4 Ų | 90.4 | 94% | 0.935 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 53.5 | -8.1 | 149.1 | -61.1 | -173.9 | 155.9 | 0 | 0 | 121.1 | T698 | T698-E700 PolarHBondContact O-N 3.44Å; T698-E700 VanDerWaalsContact O-N 3.09Å |
| 701 | V | 53.2 | Low | 70.2 | Confident | 143 Ų | 143 | 89.3 Ų | 89.3 | 87% | 0.867 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -125.6 | -20.7 | -174 | -170.3 | 0 | 0 | 0 | 0 | 113.7 | N699 | N699-V701 PolarHBondContact O-N 2.04Š|
| 702 | D | 45 | Very low | 70.8 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -137.4 | 111.8 | 175.6 | -166.4 | 8.5 | 0 | 0 | 0 | 106.5 | T698 R704 | T698-D702 PolarHBondContact OG1-O 2.81Å; D702-R704 PolarHBondContact O-N 2.72Å; D702-R704 IonicContact OD1-NH1 3.86Å; D702-R704 WeakPolarHBondContact OD2-CD 3.24Å; D702-R704 IonicContact OD2-CZ 2.74Å; D702-R704 IonicContact OD2-NE 2.73Å; D702-R704 IonicContact OD2-NH1 2.72Å; D702-R704 PolarHBondContact OD2-NH1 2.97Å |
| 703 | R | 52.7 | Low | 71.4 | Confident | 205 Ų | 205 | 82.4 Ų | 82.4 | 77% | 0.774 | 41% | 0.414 | S | S | * | . | trans | -75.4 | 41.5 | -172.5 | -78.1 | -170.4 | 173.2 | 165.8 | 2.5 | 112.6 | D1523 | R703-D1523 IonicContact CZ-OD2 2.85Å; R703-D1523 IonicContact NH1-OD2 3.97Å; R703-D1523 PolarHBondContact NH1-OD2 3.19Å; R703-D1523 IonicContact NH2-OD1 2.92Å; R703-D1523 PolarHBondContact NH2-OD1 2.84Å; R703-D1523 IonicContact NH2-OD2 3.92Å; R703-D1523 PolarHBondContact NH2-OD2 3.07Å | ||
| 704 | R | 59.1 | Low | 71.3 | Confident | 157 Ų | 157 | 84.4 Ų | 84.4 | 59% | 0.592 | 43% | 0.433 | S | S | * | . | trans | -85.4 | 122 | 177.4 | -74.4 | -177.9 | 163.6 | 122.9 | -2.2 | 110.6 | T698 D702 | T698-R704 PolarHBondContact N-O 3.03Å; T698-R704 VanDerWaalsContact N-O 3.11Å; T698-R704 PolarHBondContact OG1-O 3.49Å; T698-R704 VanDerWaalsContact OG1-O 3.12Å; D702-R704 PolarHBondContact O-N 2.72Å; D702-R704 IonicContact OD1-NH1 3.86Å; D702-R704 WeakPolarHBondContact OD2-CD 3.24Å; D702-R704 IonicContact OD2-CZ 2.74Å; D702-R704 IonicContact OD2-NE 2.73Å; D702-R704 IonicContact OD2-NH1 2.72Å; D702-R704 PolarHBondContact OD2-NH1 2.97Å | ||
| 705 | M | 68.5 | Low | 71.3 | Confident | 99 Ų | 99 | 84.8 Ų | 84.8 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 147.8 | 164.3 | -67.6 | 179.1 | -73.3 | 0 | 0 | 109.4 | M676 M695 Q696 | M676-M705 HydrophobicContact CE-CB 3.73Å; M676-M705 VanDerWaalsContact CE-O 3.22Å; M676-M705 WeakPolarHBondContact CE-O 3.43Å; M695-M705 HydrophobicContact CE-SD 4.02Å; M695-M705 HydrophobicContact CG-CB 3.84Å; M695-M705 HydrophobicContact CG-CG 4.21Å; M695-M705 HydrophobicContact CG-SD 4.12Å; M695-M705 HydrophobicContact SD-CB 3.81Å; M695-M705 HydrophobicContact SD-CG 4.42Å; M695-M705 HydrophobicContact SD-SD 4.01Å; Q696-M705 CarbonylContact O-C 3.44Å; Q696-M705 WeakPolarHBondContact O-CA 3.2Å |
| 706 | F | 77.8 | Confident | 71.3 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 32% | 0.316 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.8 | 176 | 65 | -75 | 0 | 0 | 0 | 109.7 | Q696 T698 T708 | Q696-F706 HydrophobicContact CB-CD1 4.35Å; Q696-F706 HydrophobicContact CB-CE1 3.78Å; Q696-F706 HydrophobicContact CB-CE2 4.17Å; Q696-F706 HydrophobicContact CB-CZ 3.68Å; Q696-F706 PolarHBondContact N-O 3.39Å; Q696-F706 WeakPolarHBondContact O-CD1 3.42Å; Q696-F706 PolarHBondContact O-N 3.37Å; T698-F706 HydrophobicContact CG2-CD1 3.79Å; T698-F706 HydrophobicContact CG2-CE1 3.61Å; F706-T708 HydrophobicContact CD2-CG2 3.7Å; F706-T708 HydrophobicContact CE2-CG2 3.29Å; F706-T708 HydrophobicContact CZ-CG2 4.23Å |
| 707 | C | 85.5 | Confident | 71.7 | Confident | 11 Ų | 11 | 88.1 Ų | 88.1 | 7% | 0.074 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.1 | 179.2 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | A674 H675 M676 C689 Q694 | A674-C707 WeakPolarHBondContact O-CB 3.43Å; H675-C707 HydrophobicContact CB-CB 3.96Å; M676-C707 VanDerWaalsContact CG-SG 3.52Å; C689-C707 WeakPolarHBondContact CA-SG 3.09Å; C689-C707 HydrophobicContact CB-CB 3.82Å; C689-C707 WeakPolarHBondContact CB-SG 3.35Å; C689-C707 WeakPolarHBondContact SG-CB 3.45Å; C689-C707 CovalentContact SG-SG 2.04Å; C689-C707 PolarHBondContact SG-SG 2.75Å; Q694-C707 CarbonylContact O-C 3.53Å; Q694-C707 WeakPolarHBondContact O-CA 3.47Å |
| 708 | T | 85.7 | Confident | 72.9 | Confident | 30 Ų | 30 | 87.6 Ų | 87.6 | 18% | 0.184 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | Y693 Q694 Q696 F706 V710 | Y693-T708 CarbonylContact C-O 3.58Å; Y693-T708 VanDerWaalsContact CA-O 3.26Å; Y693-T708 WeakPolarHBondContact CA-O 3.22Å; Q694-T708 VanDerWaalsContact CG-OG1 3.27Å; Q694-T708 WeakPolarHBondContact CG-OG1 3.41Å; Q694-T708 PolarHBondContact N-O 3.19Å; Q694-T708 PolarHBondContact O-N 2.85Å; Q694-T708 PolarHBondContact O-OG1 2.85Å; Q696-T708 HydrophobicContact CB-CG2 4.42Å; Q696-T708 VanDerWaalsContact CD-OG1 3.26Å; Q696-T708 HydrophobicContact CG-CG2 4.16Å; Q696-T708 PolarHBondContact NE2-OG1 2.83Å; F706-T708 HydrophobicContact CD2-CG2 3.7Å; F706-T708 HydrophobicContact CE2-CG2 3.29Å; F706-T708 HydrophobicContact CZ-CG2 4.23Å; T708-V710 PolarHBondContact O-N 2.7Å |
| 709 | D | 86.9 | Confident | 74.3 | Confident | 51 Ų | 51 | 92 Ų | 92 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 132.5 | 170.7 | -170.6 | 56.3 | 0 | 0 | 0 | 111.2 | Y693 D711 N728 E730 G731 | Y693-D709 HydrophobicContact CE1-CB 4.41Å; D709-D711 PolarHBondContact O-N 3.24Å; D709-N728 PolarHBondContact OD2-ND2 3Å; D709-E730 WeakPolarHBondContact OD1-CA 3.4Å; D709-G731 PolarHBondContact OD1-N 3.25Å |
| 710 | V | 83.7 | Confident | 76.3 | Confident | 21 Ų | 21 | 85.7 Ų | 85.7 | 13% | 0.127 | 42% | 0.418 | C | S | . | . | trans | -93.5 | 91.9 | 175 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | G692 Q694 T708 E712 Q715 L717 | G692-V710 WeakPolarHBondContact O-CB 3.29Å; G692-V710 PolarHBondContact O-N 2.76Å; Q694-V710 HydrophobicContact CB-CG2 3.67Å; Q694-V710 HydrophobicContact CG-CG2 3.8Å; T708-V710 PolarHBondContact O-N 2.7Å; V710-E712 VanDerWaalsContact C-N 3.34Å; V710-E712 HydrophobicContact CG1-CG 4.23Å; V710-E712 WeakPolarHBondContact O-CG 3.19Å; V710-E712 PolarHBondContact O-N 2.98Å; V710-E712 VanDerWaalsContact O-OE2 3.07Å; V710-Q715 VanDerWaalsContact CG1-NE2 3.34Å; V710-L717 HydrophobicContact CG1-CD1 4.08Å | ||
| 711 | D | 87.7 | Confident | 78.2 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | trans | -65.5 | 91.3 | 179.6 | -178.7 | -23 | 0 | 0 | 0 | 110.7 | D709 C713 S714 Q715 N728 | D709-D711 PolarHBondContact O-N 3.24Å; D711-C713 VanDerWaalsContact C-N 3.27Å; D711-C713 PolarHBondContact O-N 2.94Å; D711-C713 PolarHBondContact OD1-N 3.27Å; D711-S714 WeakPolarHBondContact CB-OG 3.39Å; D711-S714 VanDerWaalsContact CG-CB 3.46Å; D711-S714 VanDerWaalsContact CG-OG 3.25Å; D711-S714 PolarHBondContact O-N 2.91Å; D711-S714 PolarHBondContact O-OG 3.41Å; D711-S714 WeakPolarHBondContact OD1-CB 3.13Å; D711-S714 PolarHBondContact OD1-N 2.95Å; D711-S714 PolarHBondContact OD1-OG 2.93Å; D711-Q715 WeakPolarHBondContact O-CB 3.45Å; D711-Q715 WeakPolarHBondContact O-CG 3.38Å; D711-Q715 PolarHBondContact O-N 3.14Å; D711-Q715 PolarHBondContact O-NE2 2.61Å; D711-N728 VanDerWaalsContact CA-OD1 3.29Å; D711-N728 WeakPolarHBondContact CA-OD1 3.2Å | ||
| 712 | E | 90.4 | Very high | 79.8 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.4 | -24.9 | -173.1 | -58.9 | 103.5 | 153.2 | 0 | 0 | 111.9 | V710 N716 L717 H718 N728 S732 Y733 | V710-E712 VanDerWaalsContact C-N 3.34Å; V710-E712 HydrophobicContact CG1-CG 4.23Å; V710-E712 WeakPolarHBondContact O-CG 3.19Å; V710-E712 PolarHBondContact O-N 2.98Å; V710-E712 VanDerWaalsContact O-OE2 3.07Å; E712-N716 WeakPolarHBondContact O-CA 3.11Å; E712-N716 PolarHBondContact O-N 3.15Å; E712-L717 HydrophobicContact CB-CB 3.88Å; E712-L717 HydrophobicContact CG-CB 4.02Å; E712-L717 PolarHBondContact O-N 3.28Å; E712-H718 HydrophobicContact CB-CB 4.42Å; E712-H718 PolarHBondContact O-N 2.85Å; E712-N728 PolarHBondContact N-OD1 3.11Å; E712-N728 PolarHBondContact OE2-OD1 2.83Å; E712-S732 VanDerWaalsContact OE2-C 3.32Å; E712-Y733 HydrophobicContact CB-CD1 3.75Å; E712-Y733 HydrophobicContact CB-CE1 4.34Å; E712-Y733 HydrophobicContact CB-CG 4.29Å; E712-Y733 VanDerWaalsContact CD-CD1 3.49Å; E712-Y733 HydrophobicContact CG-CD1 3.89Å; E712-Y733 HydrophobicContact CG-CE1 4.33Å; E712-Y733 WeakPolarHBondContact OE2-CD1 3.19Å |
| 713 | C | 89.6 | Confident | 81.8 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 172.7 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | D711 C726 H727 N728 | D711-C713 VanDerWaalsContact C-N 3.27Å; D711-C713 PolarHBondContact O-N 2.94Å; D711-C713 PolarHBondContact OD1-N 3.27Å; C713-C726 WeakPolarHBondContact CA-SG 3.36Å; C713-C726 HydrophobicContact CB-CB 3.88Å; C713-C726 WeakPolarHBondContact CB-SG 3.21Å; C713-C726 WeakPolarHBondContact SG-CB 3.36Å; C713-C726 CovalentContact SG-SG 2.04Å; C713-C726 PolarHBondContact SG-SG 2.86Å; C713-H727 VanDerWaalsContact SG-C 3.55Å; C713-H727 PolarHBondContact SG-N 2.84Å; C713-H727 VanDerWaalsContact SG-N 3.37Å; C713-N728 HydrophobicContact CB-CB 4.39Å; C713-N728 PolarHBondContact SG-N 3.35Å |
| 714 | S | 87.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -76.1 | -33.5 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 113 | D711 | D711-S714 WeakPolarHBondContact CB-OG 3.39Å; D711-S714 VanDerWaalsContact CG-CB 3.46Å; D711-S714 VanDerWaalsContact CG-OG 3.25Å; D711-S714 PolarHBondContact O-N 2.91Å; D711-S714 PolarHBondContact O-OG 3.41Å; D711-S714 WeakPolarHBondContact OD1-CB 3.13Å; D711-S714 PolarHBondContact OD1-N 2.95Å; D711-S714 PolarHBondContact OD1-OG 2.93Å |
| 715 | Q | 81.1 | Confident | 85.1 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -88.5 | -7.5 | -177 | -68.7 | 176.1 | 84.4 | 0 | 0 | 113.4 | V710 D711 L717 | V710-Q715 VanDerWaalsContact CG1-NE2 3.34Å; D711-Q715 WeakPolarHBondContact O-CB 3.45Å; D711-Q715 WeakPolarHBondContact O-CG 3.38Å; D711-Q715 PolarHBondContact O-N 3.14Å; D711-Q715 PolarHBondContact O-NE2 2.61Å; Q715-L717 VanDerWaalsContact C-N 3.3Å; Q715-L717 HydrophobicContact CB-CD1 3.84Å; Q715-L717 HydrophobicContact CB-CG 3.83Å |
| 716 | N | 79.7 | Confident | 86.2 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 37.9 | -172 | -53.1 | -93.8 | 0 | 0 | 0 | 112.6 | E712 | E712-N716 WeakPolarHBondContact O-CA 3.11Å; E712-N716 PolarHBondContact O-N 3.15Å |
| 717 | L | 81.9 | Confident | 86.9 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | trans | -95.4 | -6.1 | 174.3 | -60.7 | 173.9 | 0 | 0 | 0 | 112.1 | V710 E712 Q715 | V710-L717 HydrophobicContact CG1-CD1 4.08Å; E712-L717 HydrophobicContact CB-CB 3.88Å; E712-L717 HydrophobicContact CG-CB 4.02Å; E712-L717 PolarHBondContact O-N 3.28Å; Q715-L717 VanDerWaalsContact C-N 3.3Å; Q715-L717 HydrophobicContact CB-CD1 3.84Å; Q715-L717 HydrophobicContact CB-CG 3.83Å | ||
| 718 | H | 84.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | trans | -68.8 | 151.5 | 179.8 | 73.5 | 75.8 | 0 | 0 | 0 | 113.2 | E712 C726 Y733 | E712-H718 HydrophobicContact CB-CB 4.42Å; E712-H718 PolarHBondContact O-N 2.85Å; H718-C726 WeakPolarHBondContact CB-SG 3.04Å; H718-C726 VanDerWaalsContact CG-SG 3.51Å; H718-Y733 HydrophobicContact CB-CD1 4.43Å; H718-Y733 HydrophobicContact CB-CD2 3.59Å; H718-Y733 HydrophobicContact CB-CE2 3.68Å; H718-Y733 HydrophobicContact CB-CG 4Å | ||
| 719 | R | 86.9 | Confident | 86.9 | Confident | 154 Ų | 154 | 60.5 Ų | 60.5 | 58% | 0.581 | 33% | 0.333 | S | S | * | . | trans | -106.3 | 10.3 | 178.2 | -60.8 | -167.9 | -103.3 | -176.7 | -1.5 | 115.4 | Y733 Y746 H926 | R719-Y733 WeakPolarHBondContact CB-OH 3.47Å; R719-Y733 VanDerWaalsContact N-CE2 3.3Å; R719-Y733 PolarHBondContact N-OH 2.88Å; R719-Y733 VanDerWaalsContact N-OH 3.08Å; R719-Y746 HydrophobicContact CB-CD1 4.18Å; R719-Y746 HydrophobicContact CB-CE1 4.07Å; R719-Y746 WeakPolarHBondContact O-CD1 3.22Å; R719-H926 PolarHBondContact NH1-CD2 2.04Å; R719-H926 PolarHBondContact NH1-NE2 3.49Å | ||
| 720 | C | 88.5 | Confident | 86.7 | Confident | 16 Ų | 16 | 65 Ų | 65 | 11% | 0.108 | 35% | 0.352 | C | S | . | . | trans | -52.6 | 147.8 | 178.6 | -51.1 | 0 | 0 | 0 | 0 | 114.4 | A724 C735 | C720-A724 HydrophobicContact CB-CB 4.05Å; C720-C735 WeakPolarHBondContact CA-SG 3.47Å; C720-C735 HydrophobicContact CB-CB 3.61Å; C720-C735 WeakPolarHBondContact CB-SG 3.02Å; C720-C735 PolarHBondContact N-SG 2.85Å; C720-C735 WeakPolarHBondContact SG-CA 3.08Å; C720-C735 WeakPolarHBondContact SG-CB 3.1Å; C720-C735 CovalentContact SG-SG 2.03Å; C720-C735 PolarHBondContact SG-SG 3.14Å | ||
| 721 | D | 87.4 | Confident | 86.4 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | trans | -55.9 | 149.3 | 175 | -167.7 | -72.1 | 0 | 0 | 0 | 111.5 | N723 A724 G745 R747 C748 | D721-N723 PolarHBondContact O-N 2.79Å; D721-N723 WeakPolarHBondContact OD1-CA 3.29Å; D721-N723 VanDerWaalsContact OD1-CB 3.31Å; D721-N723 WeakPolarHBondContact OD1-CB 3.2Å; D721-N723 PolarHBondContact OD1-N 3.25Å; D721-N723 PolarHBondContact OD1-ND2 3.31Å; D721-A724 HydrophobicContact CB-CB 4.04Å; D721-A724 WeakPolarHBondContact O-CB 3.42Å; D721-A724 PolarHBondContact O-N 2.76Å; D721-G745 PolarHBondContact N-O 2.93Å; D721-R747 WeakPolarHBondContact OD2-CA 3.27Å; D721-C748 HydrophobicContact CB-CB 3.89Å; D721-C748 PolarHBondContact OD2-N 3Å | ||
| 722 | G | 84.9 | Confident | 86.2 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R738 | G722-R738 PolarHBondContact O-NH1 2.7Š|
| 723 | N | 89 | Confident | 86.1 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.1 | 174.3 | -49.6 | -84.9 | 0 | 0 | 0 | 112.8 | D721 R738 F741 C748 | D721-N723 PolarHBondContact O-N 2.79Å; D721-N723 WeakPolarHBondContact OD1-CA 3.29Å; D721-N723 VanDerWaalsContact OD1-CB 3.31Å; D721-N723 WeakPolarHBondContact OD1-CB 3.2Å; D721-N723 PolarHBondContact OD1-N 3.25Å; D721-N723 PolarHBondContact OD1-ND2 3.31Å; N723-R738 WeakPolarHBondContact O-CB 3.46Å; N723-R738 VanDerWaalsContact O-CG 3.24Å; N723-R738 WeakPolarHBondContact O-CG 3.45Å; N723-R738 PolarHBondContact O-N 3.42Å; N723-F741 HydrophobicContact CB-CD1 3.94Å; N723-F741 HydrophobicContact CB-CD2 3.96Å; N723-F741 HydrophobicContact CB-CE1 3.84Å; N723-F741 HydrophobicContact CB-CE2 3.88Å; N723-F741 HydrophobicContact CB-CG 4Å; N723-F741 HydrophobicContact CB-CZ 3.81Å; N723-F741 WeakPolarHBondContact OD1-CE1 3.36Å; N723-F741 WeakPolarHBondContact OD1-CZ 3.37Å; N723-C748 HydrophobicContact CB-CB 4.11Å |
| 724 | A | 90.2 | Very high | 86.1 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 163.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C720 D721 Q736 R738 G745 | C720-A724 HydrophobicContact CB-CB 4.05Å; D721-A724 HydrophobicContact CB-CB 4.04Å; D721-A724 WeakPolarHBondContact O-CB 3.42Å; D721-A724 PolarHBondContact O-N 2.76Å; A724-Q736 CarbonylContact C-O 3.55Å; A724-Q736 WeakPolarHBondContact CA-O 3.39Å; A724-Q736 WeakPolarHBondContact CB-O 3.24Å; A724-R738 PolarHBondContact O-NE 3.07Å; A724-R738 PolarHBondContact O-NH2 2.88Å; A724-G745 VanDerWaalsContact CB-O 3.22Å; A724-G745 WeakPolarHBondContact CB-O 3.45Å |
| 725 | D | 90.3 | Very high | 86.2 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.8 | 165.8 | -68.4 | -45.9 | 0 | 0 | 0 | 109.7 | Q736 R738 | D725-Q736 PolarHBondContact N-O 2.79Å; D725-Q736 PolarHBondContact O-N 2.91Å; D725-R738 IonicContact OD1-CZ 2.71Å; D725-R738 IonicContact OD1-NE 3.71Å; D725-R738 PolarHBondContact OD1-NE 3.16Å; D725-R738 IonicContact OD1-NH2 2.79Å; D725-R738 PolarHBondContact OD1-NH2 3.23Å; D725-R738 WeakPolarHBondContact OD2-CG 3.37Å; D725-R738 IonicContact OD2-NE 3.16Å; D725-R738 PolarHBondContact OD2-NE 3.42Å |
| 726 | C | 91.7 | Very high | 86.6 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.4 | 179 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | C713 H718 | C713-C726 WeakPolarHBondContact CA-SG 3.36Å; C713-C726 HydrophobicContact CB-CB 3.88Å; C713-C726 WeakPolarHBondContact CB-SG 3.21Å; C713-C726 WeakPolarHBondContact SG-CB 3.36Å; C713-C726 CovalentContact SG-SG 2.04Å; C713-C726 PolarHBondContact SG-SG 2.86Å; H718-C726 WeakPolarHBondContact CB-SG 3.04Å; H718-C726 VanDerWaalsContact CG-SG 3.51Å |
| 727 | H | 91.1 | Very high | 86.9 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 109.1 | 176.7 | -64.2 | -42.9 | 0 | 0 | 0 | 110.5 | C713 L734 | C713-H727 VanDerWaalsContact SG-C 3.55Å; C713-H727 PolarHBondContact SG-N 2.84Å; C713-H727 VanDerWaalsContact SG-N 3.37Å; H727-L734 HydrophobicContact CB-CB 4.43Å; H727-L734 PolarHBondContact N-O 2.92Å; H727-L734 PolarHBondContact O-N 2.99Å |
| 728 | N | 86.7 | Confident | 87.1 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 138.7 | -180 | -162.9 | 63.5 | 0 | 0 | 0 | 111.5 | D709 D711 E712 C713 | D709-N728 PolarHBondContact OD2-ND2 3Å; D711-N728 VanDerWaalsContact CA-OD1 3.29Å; D711-N728 WeakPolarHBondContact CA-OD1 3.2Å; E712-N728 PolarHBondContact N-OD1 3.11Å; E712-N728 PolarHBondContact OE2-OD1 2.83Å; C713-N728 HydrophobicContact CB-CB 4.39Å; C713-N728 PolarHBondContact SG-N 3.35Å |
| 729 | V | 85.7 | Confident | 87 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 159.6 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 109.3 | G731 S732 | V729-G731 PolarHBondContact O-N 2.82Å; V729-S732 CarbonylContact C-O 3.51Å; V729-S732 WeakPolarHBondContact CG2-O 3.37Å; V729-S732 PolarHBondContact N-O 3.14Å; V729-S732 PolarHBondContact O-N 2.92Å |
| 730 | E | 82.3 | Confident | 86.3 | Confident | 144 Ų | 144 | 60.6 Ų | 60.6 | 67% | 0.673 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 107.5 | -173.5 | -149.6 | -176.2 | 148.5 | 0 | 0 | 110.9 | H675 Y693 D709 | H675-E730 IonicContact CD2-OE1 3.31Å; H675-E730 IonicContact CE1-OE1 2.79Å; H675-E730 IonicContact NE2-OE1 2.71Å; H675-E730 PolarHBondContact NE2-OE1 3.44Å; Y693-E730 HydrophobicContact CE1-CG 4.2Å; Y693-E730 PolarHBondContact OH-O 3.03Å; D709-E730 WeakPolarHBondContact OD1-CA 3.4Å |
| 731 | G | 77.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 11.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y693 D709 V729 | Y693-G731 VanDerWaalsContact CE2-CA 3.43Å; Y693-G731 VanDerWaalsContact CZ-CA 3.43Å; Y693-G731 WeakPolarHBondContact OH-CA 3.14Å; Y693-G731 PolarHBondContact OH-N 2.7Å; D709-G731 PolarHBondContact OD1-N 3.25Å; V729-G731 PolarHBondContact O-N 2.82Å |
| 732 | S | 82.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | -173.6 | 174.7 | -152.8 | 0 | 0 | 0 | 0 | 113 | E712 V729 | E712-S732 VanDerWaalsContact OE2-C 3.32Å; V729-S732 CarbonylContact C-O 3.51Å; V729-S732 WeakPolarHBondContact CG2-O 3.37Å; V729-S732 PolarHBondContact N-O 3.14Å; V729-S732 PolarHBondContact O-N 2.92Å |
| 733 | Y | 89.1 | Confident | 84.8 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.4 | 169.8 | 61.4 | -79.2 | 0 | 0 | 0 | 111.5 | E712 H718 R719 C735 Y746 | E712-Y733 HydrophobicContact CB-CD1 3.75Å; E712-Y733 HydrophobicContact CB-CE1 4.34Å; E712-Y733 HydrophobicContact CB-CG 4.29Å; E712-Y733 VanDerWaalsContact CD-CD1 3.49Å; E712-Y733 HydrophobicContact CG-CD1 3.89Å; E712-Y733 HydrophobicContact CG-CE1 4.33Å; E712-Y733 WeakPolarHBondContact OE2-CD1 3.19Å; H718-Y733 HydrophobicContact CB-CD1 4.43Å; H718-Y733 HydrophobicContact CB-CD2 3.59Å; H718-Y733 HydrophobicContact CB-CE2 3.68Å; H718-Y733 HydrophobicContact CB-CG 4Å; R719-Y733 WeakPolarHBondContact CB-OH 3.47Å; R719-Y733 VanDerWaalsContact N-CE2 3.3Å; R719-Y733 PolarHBondContact N-OH 2.88Å; R719-Y733 VanDerWaalsContact N-OH 3.08Å; Y733-C735 VanDerWaalsContact CE2-SG 3.54Å; Y733-Y746 AromaticContact CE2-CE1 3.82Å; Y733-Y746 HydrophobicContact CE2-CE1 3.82Å |
| 734 | L | 88.5 | Confident | 84.3 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.2 | 172.2 | 179.5 | 67.5 | 0 | 0 | 0 | 109.9 | H727 | H727-L734 HydrophobicContact CB-CB 4.43Å; H727-L734 PolarHBondContact N-O 2.92Å; H727-L734 PolarHBondContact O-N 2.99Å |
| 735 | C | 90.7 | Very high | 83.8 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.054 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.1 | 171.2 | -57 | 0 | 0 | 0 | 0 | 110.5 | C720 Y733 G745 Y746 | C720-C735 WeakPolarHBondContact CA-SG 3.47Å; C720-C735 HydrophobicContact CB-CB 3.61Å; C720-C735 WeakPolarHBondContact CB-SG 3.02Å; C720-C735 PolarHBondContact N-SG 2.85Å; C720-C735 WeakPolarHBondContact SG-CA 3.08Å; C720-C735 WeakPolarHBondContact SG-CB 3.1Å; C720-C735 CovalentContact SG-SG 2.03Å; C720-C735 PolarHBondContact SG-SG 3.14Å; Y733-C735 VanDerWaalsContact CE2-SG 3.54Å; C735-G745 VanDerWaalsContact CB-O 3.32Å; C735-G745 WeakPolarHBondContact CB-O 3.47Å; C735-Y746 VanDerWaalsContact SG-CE1 3.51Å |
| 736 | Q | 88.5 | Confident | 83.6 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.2 | 177.5 | -175.8 | 171.1 | -6.9 | 0 | 0 | 111.2 | A724 D725 R738 | A724-Q736 CarbonylContact C-O 3.55Å; A724-Q736 WeakPolarHBondContact CA-O 3.39Å; A724-Q736 WeakPolarHBondContact CB-O 3.24Å; D725-Q736 PolarHBondContact N-O 2.79Å; D725-Q736 PolarHBondContact O-N 2.91Å; Q736-R738 PolarHBondContact O-N 2.8Å |
| 737 | C | 86.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 133.2 | 176.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | F741 C748 | C737-F741 HydrophobicContact CB-CB 4.31Å; C737-C748 WeakPolarHBondContact CA-SG 3.24Å; C737-C748 HydrophobicContact CB-CB 3.87Å; C737-C748 WeakPolarHBondContact CB-SG 3.48Å; C737-C748 VanDerWaalsContact SG-CA 3.57Å; C737-C748 WeakPolarHBondContact SG-CB 3.39Å; C737-C748 CovalentContact SG-SG 2.04Å; C737-C748 PolarHBondContact SG-SG 2.96Å |
| 738 | R | 86.7 | Confident | 82.6 | Confident | 107 Ų | 107 | 70.3 Ų | 70.3 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | trans | -66.9 | 150.4 | 177.5 | -69.9 | 173.9 | 179.1 | 133.6 | 11.6 | 111.3 | G722 N723 A724 D725 Q736 G740 F741 | G722-R738 PolarHBondContact O-NH1 2.7Å; N723-R738 WeakPolarHBondContact O-CB 3.46Å; N723-R738 VanDerWaalsContact O-CG 3.24Å; N723-R738 WeakPolarHBondContact O-CG 3.45Å; N723-R738 PolarHBondContact O-N 3.42Å; A724-R738 PolarHBondContact O-NE 3.07Å; A724-R738 PolarHBondContact O-NH2 2.88Å; D725-R738 IonicContact OD1-CZ 2.71Å; D725-R738 IonicContact OD1-NE 3.71Å; D725-R738 PolarHBondContact OD1-NE 3.16Å; D725-R738 IonicContact OD1-NH2 2.79Å; D725-R738 PolarHBondContact OD1-NH2 3.23Å; D725-R738 WeakPolarHBondContact OD2-CG 3.37Å; D725-R738 IonicContact OD2-NE 3.16Å; D725-R738 PolarHBondContact OD2-NE 3.42Å; Q736-R738 PolarHBondContact O-N 2.8Å; R738-G740 PolarHBondContact O-N 2.81Å; R738-F741 PolarHBondContact O-N 3.25Å | ||
| 739 | S | 82.3 | Confident | 81.8 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 94% | 0.944 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 112.2 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 740 | G | 72 | Confident | 80.8 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 62% | 0.619 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.7 | 2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R738 | R738-G740 PolarHBondContact O-N 2.81Š|
| 741 | F | 78.7 | Confident | 79.6 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | trans | -123.8 | 152.7 | 172 | -61.9 | -98.7 | 0 | 0 | 0 | 110.9 | N723 C737 R738 C748 T749 K750 | N723-F741 HydrophobicContact CB-CD1 3.94Å; N723-F741 HydrophobicContact CB-CD2 3.96Å; N723-F741 HydrophobicContact CB-CE1 3.84Å; N723-F741 HydrophobicContact CB-CE2 3.88Å; N723-F741 HydrophobicContact CB-CG 4Å; N723-F741 HydrophobicContact CB-CZ 3.81Å; N723-F741 WeakPolarHBondContact OD1-CE1 3.36Å; N723-F741 WeakPolarHBondContact OD1-CZ 3.37Å; C737-F741 HydrophobicContact CB-CB 4.31Å; R738-F741 PolarHBondContact O-N 3.25Å; F741-C748 HydrophobicContact CB-CB 3.96Å; F741-C748 VanDerWaalsContact CD1-O 3.28Å; F741-C748 WeakPolarHBondContact CD1-O 3.27Å; F741-T749 CarbonylContact C-O 3.53Å; F741-T749 WeakPolarHBondContact CA-O 3.18Å; F741-T749 WeakPolarHBondContact CB-O 3.06Å; F741-K750 HydrophobicContact CD1-CG 3.86Å; F741-K750 HydrophobicContact CE1-CD 4.4Å; F741-K750 HydrophobicContact CE1-CG 3.9Å | ||
| 742 | E | 72.9 | Confident | 78.3 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | B | Isolated β-bridge | trans | -125.3 | 135.9 | 176.1 | -70.7 | 179.1 | -161.7 | 0 | 0 | 109.5 | T749 P751 | E742-T749 PolarHBondContact N-O 3.41Å; E742-T749 PolarHBondContact O-N 3.34Å; E742-T749 PolarHBondContact O-OG1 3.49Å; E742-P751 HydrophobicContact CG-CB 4.47Å; E742-P751 HydrophobicContact CG-CG 4.25Å; E742-P751 WeakPolarHBondContact OE1-CG 3.24Å |
| 743 | G | 77.4 | Confident | 77 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 165.7 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R747 | G743-R747 WeakPolarHBondContact CA-O 3.49Š|
| 744 | D | 77.5 | Confident | 75.4 | Confident | 107 Ų | 107 | 79.1 Ų | 79.1 | 57% | 0.572 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -84.4 | -5.7 | 177.9 | 46 | 36.2 | 0 | 0 | 0 | 114 | Y746 R747 | D744-Y746 WeakPolarHBondContact OD1-CA 3.33Å; D744-Y746 WeakPolarHBondContact OD1-CB 3.18Å; D744-Y746 PolarHBondContact OD1-N 3.07Å; D744-R747 PolarHBondContact OD1-N 2.85Å |
| 745 | G | 81.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.435 | C | S | . | . | S | Bend | trans | 98.4 | -22.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D721 A724 C735 | D721-G745 PolarHBondContact N-O 2.93Å; A724-G745 VanDerWaalsContact CB-O 3.22Å; A724-G745 WeakPolarHBondContact CB-O 3.45Å; C735-G745 VanDerWaalsContact CB-O 3.32Å; C735-G745 WeakPolarHBondContact CB-O 3.47Å |
| 746 | Y | 84.5 | Confident | 72.6 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -95.3 | -25.3 | 174.5 | -63.7 | -77.5 | 0 | 0 | 0 | 112.4 | R719 Y733 C735 D744 E928 | R719-Y746 HydrophobicContact CB-CD1 4.18Å; R719-Y746 HydrophobicContact CB-CE1 4.07Å; R719-Y746 WeakPolarHBondContact O-CD1 3.22Å; Y733-Y746 AromaticContact CE2-CE1 3.82Å; Y733-Y746 HydrophobicContact CE2-CE1 3.82Å; C735-Y746 VanDerWaalsContact SG-CE1 3.51Å; D744-Y746 WeakPolarHBondContact OD1-CA 3.33Å; D744-Y746 WeakPolarHBondContact OD1-CB 3.18Å; D744-Y746 PolarHBondContact OD1-N 3.07Å; Y746-E928 WeakPolarHBondContact CE2-OE2 3.35Å |
| 747 | R | 78.9 | Confident | 71.5 | Confident | 154 Ų | 154 | 83.6 Ų | 83.6 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -137.3 | 78.1 | 178.9 | -159.4 | 171.3 | -171.7 | -179.9 | 0.2 | 110.8 | D721 G743 D744 T749 E907 | D721-R747 WeakPolarHBondContact OD2-CA 3.27Å; G743-R747 WeakPolarHBondContact CA-O 3.49Å; D744-R747 PolarHBondContact OD1-N 2.85Å; R747-T749 PolarHBondContact O-N 3.18Å; R747-E907 IonicContact NH2-OE2 3.23Å; R747-E907 PolarHBondContact NH2-OE2 3.08Å |
| 748 | C | 83.5 | Confident | 70.8 | Confident | 5 Ų | 5 | 86.6 Ų | 86.6 | 3% | 0.034 | 50% | 0.497 | C | S | . | . | trans | -87.5 | 96.2 | -175.8 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | D721 N723 C737 F741 | D721-C748 HydrophobicContact CB-CB 3.89Å; D721-C748 PolarHBondContact OD2-N 3Å; N723-C748 HydrophobicContact CB-CB 4.11Å; C737-C748 WeakPolarHBondContact CA-SG 3.24Å; C737-C748 HydrophobicContact CB-CB 3.87Å; C737-C748 WeakPolarHBondContact CB-SG 3.48Å; C737-C748 VanDerWaalsContact SG-CA 3.57Å; C737-C748 WeakPolarHBondContact SG-CB 3.39Å; C737-C748 CovalentContact SG-SG 2.04Å; C737-C748 PolarHBondContact SG-SG 2.96Å; F741-C748 HydrophobicContact CB-CB 3.96Å; F741-C748 VanDerWaalsContact CD1-O 3.28Å; F741-C748 WeakPolarHBondContact CD1-O 3.27Å | ||
| 749 | T | 69.7 | Low | 70.6 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 171 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | F741 E742 R747 | F741-T749 CarbonylContact C-O 3.53Å; F741-T749 WeakPolarHBondContact CA-O 3.18Å; F741-T749 WeakPolarHBondContact CB-O 3.06Å; E742-T749 PolarHBondContact N-O 3.41Å; E742-T749 PolarHBondContact O-N 3.34Å; E742-T749 PolarHBondContact O-OG1 3.49Å; R747-T749 PolarHBondContact O-N 3.18Å |
| 750 | K | 65.2 | Low | 70.7 | Confident | 150 Ų | 150 | 78 Ų | 78 | 65% | 0.652 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -95 | 131.4 | 165.3 | -72.5 | 179 | 179.1 | 168 | 0 | 109.2 | F741 N752 | F741-K750 HydrophobicContact CD1-CG 3.86Å; F741-K750 HydrophobicContact CE1-CD 4.4Å; F741-K750 HydrophobicContact CE1-CG 3.9Å; K750-N752 PolarHBondContact O-N 2.93Å |
| 751 | P | 56.6 | Low | 71.5 | Confident | 44 Ų | 44 | 80 Ų | 80 | 29% | 0.286 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 124.7 | -178.6 | 19.1 | -31.7 | 0 | 0 | 0 | 112.1 | E742 L753 | E742-P751 HydrophobicContact CG-CB 4.47Å; E742-P751 HydrophobicContact CG-CG 4.25Å; E742-P751 WeakPolarHBondContact OE1-CG 3.24Å; P751-L753 HydrophobicContact CB-CD1 4.33Å; P751-L753 HydrophobicContact CB-CG 4.37Å; P751-L753 HydrophobicContact CG-CD1 4.27Å; P751-L753 WeakPolarHBondContact O-CD1 3.05Å; P751-L753 PolarHBondContact O-N 3.22Å; P751-L753 VanDerWaalsContact O-N 3.12Å |
| 752 | N | 51.6 | Low | 72 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 78% | 0.781 | 46% | 0.461 | S | S | * | . | trans | -89.9 | 74.6 | -173.5 | -167.9 | 0.4 | 0 | 0 | 0 | 111.5 | K750 C754 | K750-N752 PolarHBondContact O-N 2.93Å; N752-C754 PolarHBondContact O-N 3.06Å | ||
| 753 | L | 54 | Low | 72.7 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 7.5 | -164.5 | -70.4 | 131.3 | 0 | 0 | 0 | 117.3 | P751 P767 | P751-L753 HydrophobicContact CB-CD1 4.33Å; P751-L753 HydrophobicContact CB-CG 4.37Å; P751-L753 HydrophobicContact CG-CD1 4.27Å; P751-L753 WeakPolarHBondContact O-CD1 3.05Å; P751-L753 PolarHBondContact O-N 3.22Å; P751-L753 VanDerWaalsContact O-N 3.12Å; L753-P767 HydrophobicContact CB-CB 4.1Å; L753-P767 HydrophobicContact CB-CG 4.23Å; L753-P767 HydrophobicContact CD1-CG 4.33Å; L753-P767 HydrophobicContact CD2-CB 3.96Å; L753-P767 HydrophobicContact CD2-CG 4.37Å; L753-P767 HydrophobicContact CG-CB 4.49Å |
| 754 | C | 56.5 | Low | 73 | Confident | 35 Ų | 35 | 76.5 Ų | 76.5 | 24% | 0.236 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -18.3 | -173.3 | -73.1 | 0 | 0 | 0 | 0 | 116.1 | N752 L757 C765 | N752-C754 PolarHBondContact O-N 3.06Å; C754-L757 WeakPolarHBondContact O-CB 3.27Å; C754-L757 PolarHBondContact O-N 2.04Å; C754-C765 VanDerWaalsContact CA-SG 3.59Å; C754-C765 HydrophobicContact CB-CB 3.88Å; C754-C765 WeakPolarHBondContact CB-SG 3.09Å; C754-C765 WeakPolarHBondContact SG-CB 3.44Å; C754-C765 CovalentContact SG-SG 2.03Å; C754-C765 PolarHBondContact SG-SG 3.42Å |
| 755 | G | 63.1 | Low | 73 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -137.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L757 | G755-L757 VanDerWaalsContact C-N 3.33Å; G755-L757 PolarHBondContact O-N 3.45Å |
| 756 | N | 57 | Low | 72.5 | Confident | 178 Ų | 178 | 76.8 Ų | 76.8 | 95% | 0.952 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 19.9 | -178.3 | -71.5 | -20.2 | 0 | 0 | 0 | 114.1 | A758 | N756-A758 PolarHBondContact O-N 3.34Å; N756-A758 VanDerWaalsContact O-N 3.15Å |
| 757 | L | 64.9 | Low | 71.4 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | trans | -79.2 | 99.4 | -175.4 | -173 | 65.6 | 0 | 0 | 0 | 111.8 | C754 G755 C759 P774 C776 | C754-L757 WeakPolarHBondContact O-CB 3.27Å; C754-L757 PolarHBondContact O-N 2.04Å; G755-L757 VanDerWaalsContact C-N 3.33Å; G755-L757 PolarHBondContact O-N 3.45Å; L757-C759 PolarHBondContact O-N 2.03Å; L757-P774 HydrophobicContact CD2-CB 3.89Å; L757-P774 HydrophobicContact CD2-CG 4.04Å; L757-P774 WeakPolarHBondContact CD2-O 3.37Å; L757-C776 VanDerWaalsContact CD2-SG 3.56Å | ||
| 758 | A | 73.1 | Confident | 70.3 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 74% | 0.736 | 43% | 0.427 | S | S | * | . | trans | -75.8 | 83.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N756 | N756-A758 PolarHBondContact O-N 3.34Å; N756-A758 VanDerWaalsContact O-N 3.15Å | ||
| 759 | C | 81.6 | Confident | 68.6 | Low | 35 Ų | 35 | 79.4 Ų | 79.4 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | trans | -67.8 | 166.4 | 171.9 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | L757 A763 C776 | L757-C759 PolarHBondContact O-N 2.03Å; C759-A763 HydrophobicContact CB-CB 4.04Å; C759-C776 WeakPolarHBondContact CA-SG 3.41Å; C759-C776 HydrophobicContact CB-CB 3.73Å; C759-C776 WeakPolarHBondContact CB-SG 3.42Å; C759-C776 VanDerWaalsContact SG-CA 3.6Å; C759-C776 WeakPolarHBondContact SG-CB 3.35Å; C759-C776 CovalentContact SG-SG 2.04Å; C759-C776 PolarHBondContact SG-SG 3.03Å | ||
| 760 | S | 85 | Confident | 67.9 | Low | 28 Ų | 28 | 79.7 Ų | 79.7 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | trans | -57.2 | 151 | 172.3 | -144.2 | 0 | 0 | 0 | 0 | 112.2 | D762 A763 G786 L787 | S760-D762 PolarHBondContact O-N 3.44Å; S760-A763 WeakPolarHBondContact O-CB 3.44Å; S760-A763 PolarHBondContact O-N 3.4Å; S760-G786 VanDerWaalsContact CB-O 3.3Å; S760-G786 WeakPolarHBondContact CB-O 3.3Å; S760-G786 PolarHBondContact N-O 2.04Å; S760-L787 VanDerWaalsContact CB-O 3.23Å; S760-L787 WeakPolarHBondContact CB-O 3.43Å; S760-L787 PolarHBondContact OG-O 2.75Å; S760-L787 VanDerWaalsContact OG-O 3.07Å | ||
| 761 | S | 88.4 | Confident | 67.7 | Low | 101 Ų | 101 | 75.5 Ų | 75.5 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34.6 | 171.2 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | A763 R779 | S761-A763 VanDerWaalsContact C-N 3.28Å; S761-A763 PolarHBondContact O-N 3.41Å; S761-R779 PolarHBondContact O-NE 3.04Å |
| 762 | D | 88.6 | Confident | 67.6 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 25.8 | 177.8 | -61 | -60.8 | 0 | 0 | 0 | 112.9 | S760 R779 F782 C789 | S760-D762 PolarHBondContact O-N 3.44Å; D762-R779 WeakPolarHBondContact O-CB 3.15Å; D762-R779 WeakPolarHBondContact O-CG 3.34Å; D762-R779 PolarHBondContact O-N 2.04Å; D762-F782 HydrophobicContact CB-CD1 3.66Å; D762-F782 HydrophobicContact CB-CD2 4.21Å; D762-F782 HydrophobicContact CB-CE1 3.59Å; D762-F782 HydrophobicContact CB-CE2 4.17Å; D762-F782 HydrophobicContact CB-CG 3.98Å; D762-F782 HydrophobicContact CB-CZ 3.86Å; D762-F782 VanDerWaalsContact CG-CZ 3.42Å; D762-F782 WeakPolarHBondContact OD1-CZ 3.25Å; D762-C789 HydrophobicContact CB-CB 3.89Å |
| 763 | A | 87.7 | Confident | 68 | Low | 3 Ų | 3 | 75.9 Ų | 75.9 | 3% | 0.025 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 169.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | C759 S760 S761 V777 R779 G786 | C759-A763 HydrophobicContact CB-CB 4.04Å; S760-A763 WeakPolarHBondContact O-CB 3.44Å; S760-A763 PolarHBondContact O-N 3.4Å; S761-A763 VanDerWaalsContact C-N 3.28Å; S761-A763 PolarHBondContact O-N 3.41Å; A763-V777 CarbonylContact C-O 3.58Å; A763-V777 VanDerWaalsContact CA-O 3.26Å; A763-V777 WeakPolarHBondContact CA-O 3.47Å; A763-V777 WeakPolarHBondContact CB-O 3.03Å; A763-R779 VanDerWaalsContact O-CZ 3.26Å; A763-R779 PolarHBondContact O-NE 2.87Å; A763-R779 PolarHBondContact O-NH2 3.46Å; A763-G786 WeakPolarHBondContact CB-O 3.31Å |
| 764 | Y | 83.5 | Confident | 68.5 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 38% | 0.376 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.2 | 166.3 | 51.8 | -105.8 | 0 | 0 | 0 | 109.3 | L766 V777 R779 | Y764-L766 HydrophobicContact CD2-CD1 4.33Å; Y764-L766 HydrophobicContact CD2-CD2 4.15Å; Y764-L766 HydrophobicContact CD2-CG 3.87Å; Y764-L766 HydrophobicContact CE2-CD1 3.79Å; Y764-L766 HydrophobicContact CE2-CD2 4.3Å; Y764-L766 HydrophobicContact CE2-CG 3.86Å; Y764-V777 HydrophobicContact CD2-CB 4.06Å; Y764-V777 HydrophobicContact CE2-CB 3.58Å; Y764-V777 HydrophobicContact CE2-CG1 3.73Å; Y764-V777 HydrophobicContact CE2-CG2 4.48Å; Y764-V777 PolarHBondContact N-O 2.93Å; Y764-V777 PolarHBondContact O-N 3.07Å; Y764-R779 HydrophobicContact CD1-CG 3.89Å; Y764-R779 HydrophobicContact CE1-CG 4.45Å |
| 765 | C | 78.2 | Confident | 69.4 | Low | 30 Ų | 30 | 77.4 Ų | 77.4 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140.7 | 174.6 | 161 | 0 | 0 | 0 | 0 | 110.6 | C754 P774 E775 | C754-C765 VanDerWaalsContact CA-SG 3.59Å; C754-C765 HydrophobicContact CB-CB 3.88Å; C754-C765 WeakPolarHBondContact CB-SG 3.09Å; C754-C765 WeakPolarHBondContact SG-CB 3.44Å; C754-C765 CovalentContact SG-SG 2.03Å; C754-C765 PolarHBondContact SG-SG 3.42Å; C765-P774 VanDerWaalsContact SG-CB 3.54Å; C765-E775 CarbonylContact C-O 3.35Å; C765-E775 WeakPolarHBondContact CA-O 3.08Å |
| 766 | L | 71.6 | Confident | 70.5 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.1 | 170.6 | -65.2 | -178.1 | 0 | 0 | 0 | 110.6 | Y764 E775 V777 | Y764-L766 HydrophobicContact CD2-CD1 4.33Å; Y764-L766 HydrophobicContact CD2-CD2 4.15Å; Y764-L766 HydrophobicContact CD2-CG 3.87Å; Y764-L766 HydrophobicContact CE2-CD1 3.79Å; Y764-L766 HydrophobicContact CE2-CD2 4.3Å; Y764-L766 HydrophobicContact CE2-CG 3.86Å; L766-E775 PolarHBondContact N-O 3.36Å; L766-E775 PolarHBondContact O-N 3.46Å; L766-V777 HydrophobicContact CD1-CG2 4.34Å |
| 767 | P | 60.3 | Low | 71.9 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.6 | 166.9 | 29.7 | -32.8 | 0 | 0 | 0 | 111.4 | L753 | L753-P767 HydrophobicContact CB-CB 4.1Å; L753-P767 HydrophobicContact CB-CG 4.23Å; L753-P767 HydrophobicContact CD1-CG 4.33Å; L753-P767 HydrophobicContact CD2-CB 3.96Å; L753-P767 HydrophobicContact CD2-CG 4.37Å; L753-P767 HydrophobicContact CG-CB 4.49Å |
| 768 | E | 56.3 | Low | 73 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | trans | -71.5 | 130.5 | 177.3 | -167.7 | -167.2 | -149.2 | 0 | 0 | 111 | G770 S771 M773 | E768-G770 VanDerWaalsContact C-N 3.3Å; E768-G770 PolarHBondContact O-N 2.03Å; E768-S771 WeakPolarHBondContact OE2-CB 3.47Å; E768-S771 PolarHBondContact OE2-OG 3.24Å; E768-M773 PolarHBondContact N-O 2.68Å | ||
| 769 | P | 46.7 | Very low | 73.6 | Confident | 136 Ų | 136 | 67.4 Ų | 67.4 | 88% | 0.883 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 75.4 | -175.2 | 31.1 | -36.8 | 0 | 0 | 0 | 112.9 | ||
| 770 | G | 55.9 | Low | 73.1 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 86% | 0.856 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153 | -18.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E768 | E768-G770 VanDerWaalsContact C-N 3.3Å; E768-G770 PolarHBondContact O-N 2.03Å |
| 771 | S | 60.8 | Low | 72.2 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -23.4 | -178 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | E768 M773 | E768-S771 WeakPolarHBondContact OE2-CB 3.47Å; E768-S771 PolarHBondContact OE2-OG 3.24Å; S771-M773 PolarHBondContact O-N 2.9Å; S771-M773 PolarHBondContact OG-N 2.83Å |
| 772 | G | 54.6 | Low | 71.8 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | trans | 74.7 | 7.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 773 | M | 60.2 | Low | 71.5 | Confident | 138 Ų | 138 | 71.6 Ų | 71.6 | 68% | 0.68 | 40% | 0.404 | S | S | * | . | trans | -89.1 | 143.7 | 172.4 | -68.1 | -167.1 | 174.7 | 0 | 0 | 111.6 | E768 S771 | E768-M773 PolarHBondContact N-O 2.68Å; S771-M773 PolarHBondContact O-N 2.9Å; S771-M773 PolarHBondContact OG-N 2.83Å | ||
| 774 | P | 64.7 | Low | 71.3 | Confident | 51 Ų | 51 | 74 Ų | 74 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 136.4 | 172 | 27.4 | -31 | 0 | 0 | 0 | 112.7 | L757 C765 | L757-P774 HydrophobicContact CD2-CB 3.89Å; L757-P774 HydrophobicContact CD2-CG 4.04Å; L757-P774 WeakPolarHBondContact CD2-O 3.37Å; C765-P774 VanDerWaalsContact SG-CB 3.54Å |
| 775 | E | 76.2 | Confident | 71.2 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.3 | 171.6 | -178.2 | 179.3 | -155.5 | 0 | 0 | 109.8 | C765 L766 V777 | C765-E775 CarbonylContact C-O 3.35Å; C765-E775 WeakPolarHBondContact CA-O 3.08Å; L766-E775 PolarHBondContact N-O 3.36Å; L766-E775 PolarHBondContact O-N 3.46Å; E775-V777 HydrophobicContact CG-CG2 4.21Å |
| 776 | C | 85.5 | Confident | 71.2 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.8 | 168.9 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | L757 C759 G786 | L757-C776 VanDerWaalsContact CD2-SG 3.56Å; C759-C776 WeakPolarHBondContact CA-SG 3.41Å; C759-C776 HydrophobicContact CB-CB 3.73Å; C759-C776 WeakPolarHBondContact CB-SG 3.42Å; C759-C776 VanDerWaalsContact SG-CA 3.6Å; C759-C776 WeakPolarHBondContact SG-CB 3.35Å; C759-C776 CovalentContact SG-SG 2.04Å; C759-C776 PolarHBondContact SG-SG 3.03Å; C776-G786 VanDerWaalsContact CB-C 3.46Å; C776-G786 WeakPolarHBondContact CB-O 3.35Å; C776-G786 WeakPolarHBondContact O-CA 3.05Å |
| 777 | V | 85.8 | Confident | 71.8 | Confident | 42 Ų | 42 | 74 Ų | 74 | 26% | 0.255 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.8 | -179.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | A763 Y764 L766 E775 | A763-V777 CarbonylContact C-O 3.58Å; A763-V777 VanDerWaalsContact CA-O 3.26Å; A763-V777 WeakPolarHBondContact CA-O 3.47Å; A763-V777 WeakPolarHBondContact CB-O 3.03Å; Y764-V777 HydrophobicContact CD2-CB 4.06Å; Y764-V777 HydrophobicContact CE2-CB 3.58Å; Y764-V777 HydrophobicContact CE2-CG1 3.73Å; Y764-V777 HydrophobicContact CE2-CG2 4.48Å; Y764-V777 PolarHBondContact N-O 2.93Å; Y764-V777 PolarHBondContact O-N 3.07Å; L766-V777 HydrophobicContact CD1-CG2 4.34Å; E775-V777 HydrophobicContact CG-CG2 4.21Å |
| 778 | C | 88 | Confident | 73 | Confident | 14 Ų | 14 | 75 Ų | 75 | 10% | 0.095 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 146.3 | -179.6 | -66 | 0 | 0 | 0 | 0 | 112.4 | F782 G784 C789 | C778-F782 HydrophobicContact CB-CB 4.03Å; C778-G784 VanDerWaalsContact SG-CA 3.54Å; C778-G784 PolarHBondContact SG-N 3.48Å; C778-G784 VanDerWaalsContact SG-N 3.44Å; C778-C789 WeakPolarHBondContact CA-SG 3.43Å; C778-C789 HydrophobicContact CB-CB 3.94Å; C778-C789 WeakPolarHBondContact CB-SG 3.25Å; C778-C789 WeakPolarHBondContact SG-CB 3.43Å; C778-C789 CovalentContact SG-SG 2.04Å; C778-C789 PolarHBondContact SG-SG 3.3Å |
| 779 | R | 85.4 | Confident | 74.4 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 161.4 | 177.9 | -74.6 | 172.9 | -167.9 | -106.7 | -9.5 | 111.6 | S761 D762 A763 Y764 G781 F782 | S761-R779 PolarHBondContact O-NE 3.04Å; D762-R779 WeakPolarHBondContact O-CB 3.15Å; D762-R779 WeakPolarHBondContact O-CG 3.34Å; D762-R779 PolarHBondContact O-N 2.04Å; A763-R779 VanDerWaalsContact O-CZ 3.26Å; A763-R779 PolarHBondContact O-NE 2.87Å; A763-R779 PolarHBondContact O-NH2 3.46Å; Y764-R779 HydrophobicContact CD1-CG 3.89Å; Y764-R779 HydrophobicContact CE1-CG 4.45Å; R779-G781 PolarHBondContact O-N 3.43Å; R779-F782 HydrophobicContact CB-CD2 4.11Å; R779-F782 WeakPolarHBondContact O-CA 3.21Å; R779-F782 WeakPolarHBondContact O-CB 3.46Å; R779-F782 PolarHBondContact O-N 2.83Å |
| 780 | E | 71.3 | Confident | 76.1 | Confident | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 139.4 | 169.4 | -70.9 | -137.3 | 108.3 | 0 | 0 | 112.1 | F782 G795 P796 | E780-F782 PolarHBondContact O-N 3.05Å; E780-G795 WeakPolarHBondContact OE1-CA 3.28Å; E780-P796 VanDerWaalsContact CD-CD 3.45Å; E780-P796 VanDerWaalsContact OE1-CB 3.31Å; E780-P796 WeakPolarHBondContact OE1-CB 3.33Å; E780-P796 WeakPolarHBondContact OE1-CD 3.19Å; E780-P796 WeakPolarHBondContact OE1-CG 3.14Å; E780-P796 WeakPolarHBondContact OE2-CD 3.31Å; E780-P796 VanDerWaalsContact OE2-CG 3.25Å; E780-P796 WeakPolarHBondContact OE2-CG 3.37Å |
| 781 | G | 66.3 | Low | 76.7 | Confident | 20 Ų | 20 | 75 Ų | 75 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 23.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R779 R791 S792 | R779-G781 PolarHBondContact O-N 3.43Å; G781-R791 CarbonylContact O-C 3.55Å; G781-R791 WeakPolarHBondContact O-CA 3.29Å; G781-R791 WeakPolarHBondContact O-CG 3.41Å; G781-S792 VanDerWaalsContact C-N 3.29Å; G781-S792 CarbonylContact C-O 3.51Å; G781-S792 WeakPolarHBondContact CA-O 3.25Å; G781-S792 PolarHBondContact O-N 3.4Å |
| 782 | F | 80.6 | Confident | 76.6 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.4 | 167.1 | -64.8 | -101.8 | 0 | 0 | 0 | 112.4 | D762 C778 R779 E780 C789 H790 R791 | D762-F782 HydrophobicContact CB-CD1 3.66Å; D762-F782 HydrophobicContact CB-CD2 4.21Å; D762-F782 HydrophobicContact CB-CE1 3.59Å; D762-F782 HydrophobicContact CB-CE2 4.17Å; D762-F782 HydrophobicContact CB-CG 3.98Å; D762-F782 HydrophobicContact CB-CZ 3.86Å; D762-F782 VanDerWaalsContact CG-CZ 3.42Å; D762-F782 WeakPolarHBondContact OD1-CZ 3.25Å; C778-F782 HydrophobicContact CB-CB 4.03Å; R779-F782 HydrophobicContact CB-CD2 4.11Å; R779-F782 WeakPolarHBondContact O-CA 3.21Å; R779-F782 WeakPolarHBondContact O-CB 3.46Å; R779-F782 PolarHBondContact O-N 2.83Å; E780-F782 PolarHBondContact O-N 3.05Å; F782-C789 HydrophobicContact CB-CB 4.19Å; F782-C789 HydrophobicContact CD1-CB 4.31Å; F782-H790 CarbonylContact C-O 3.53Å; F782-H790 WeakPolarHBondContact CA-O 3.44Å; F782-H790 WeakPolarHBondContact CB-O 3.2Å; F782-R791 HydrophobicContact CD1-CB 4.46Å; F782-R791 HydrophobicContact CD1-CG 4.25Å; F782-R791 HydrophobicContact CE1-CB 4.42Å; F782-R791 HydrophobicContact CE1-CG 3.95Å; F782-R791 HydrophobicContact CE2-CG 4.45Å; F782-R791 HydrophobicContact CZ-CG 4.05Å |
| 783 | Y | 82.8 | Confident | 76.1 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149 | 175.6 | 69 | -92.3 | 0 | 0 | 0 | 110.2 | C789 H790 R791 | Y783-C789 CarbonylContact O-C 3.55Å; Y783-C789 WeakPolarHBondContact O-CA 3.47Å; Y783-H790 HydrophobicContact CD1-CB 4.2Å; Y783-H790 WeakPolarHBondContact CD1-O 3.31Å; Y783-H790 HydrophobicContact CD2-CB 4.25Å; Y783-H790 HydrophobicContact CE1-CB 3.77Å; Y783-H790 HydrophobicContact CE2-CB 3.83Å; Y783-H790 AromaticContact CE2-CD2 3.96Å; Y783-H790 HydrophobicContact CG-CB 4.42Å; Y783-H790 PolarHBondContact N-O 3.1Å; Y783-H790 PolarHBondContact O-N 3.28Å; Y783-R791 VanDerWaalsContact CE1-O 3.29Å; Y783-R791 WeakPolarHBondContact CE1-O 3.34Å |
| 784 | G | 82.3 | Confident | 75.2 | Confident | 54 Ų | 54 | 83.1 Ų | 83.1 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -161.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C778 V788 | C778-G784 VanDerWaalsContact SG-CA 3.54Å; C778-G784 PolarHBondContact SG-N 3.48Å; C778-G784 VanDerWaalsContact SG-N 3.44Å; G784-V788 VanDerWaalsContact CA-O 3.31Å; G784-V788 WeakPolarHBondContact CA-O 3.24Å |
| 785 | D | 81.3 | Confident | 73.9 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -102.7 | 11.9 | -179 | 64.9 | 12.6 | 0 | 0 | 0 | 113.3 | L787 V788 | D785-L787 PolarHBondContact O-N 3.32Å; D785-L787 PolarHBondContact OD1-N 3.3Å; D785-L787 VanDerWaalsContact OD1-N 3.07Å; D785-V788 PolarHBondContact N-O 3.48Å; D785-V788 VanDerWaalsContact N-O 3.11Å; D785-V788 PolarHBondContact OD1-N 2.85Å |
| 786 | G | 78.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 75.4 | -18.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S760 A763 C776 | S760-G786 VanDerWaalsContact CB-O 3.3Å; S760-G786 WeakPolarHBondContact CB-O 3.3Å; S760-G786 PolarHBondContact N-O 2.04Å; A763-G786 WeakPolarHBondContact CB-O 3.31Å; C776-G786 VanDerWaalsContact CB-C 3.46Å; C776-G786 WeakPolarHBondContact CB-O 3.35Å; C776-G786 WeakPolarHBondContact O-CA 3.05Å |
| 787 | L | 84.9 | Confident | 70.7 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -87.2 | -35.2 | 165.3 | -59.9 | 176.7 | 0 | 0 | 0 | 110 | S760 D785 | S760-L787 VanDerWaalsContact CB-O 3.23Å; S760-L787 WeakPolarHBondContact CB-O 3.43Å; S760-L787 PolarHBondContact OG-O 2.75Å; S760-L787 VanDerWaalsContact OG-O 3.07Å; D785-L787 PolarHBondContact O-N 3.32Å; D785-L787 PolarHBondContact OD1-N 3.3Å; D785-L787 VanDerWaalsContact OD1-N 3.07Å |
| 788 | V | 83.9 | Confident | 68.3 | Low | 76 Ų | 76 | 92.1 Ų | 92.1 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -126.4 | 127.2 | 173.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | G784 D785 | G784-V788 VanDerWaalsContact CA-O 3.31Å; G784-V788 WeakPolarHBondContact CA-O 3.24Å; D785-V788 PolarHBondContact N-O 3.48Å; D785-V788 VanDerWaalsContact N-O 3.11Å; D785-V788 PolarHBondContact OD1-N 2.85Å |
| 789 | C | 86.4 | Confident | 65.8 | Low | 14 Ų | 14 | 100.6 Ų | 100.6 | 10% | 0.095 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 149.9 | -179.7 | -65 | 0 | 0 | 0 | 0 | 111.9 | D762 C778 F782 Y783 | D762-C789 HydrophobicContact CB-CB 3.89Å; C778-C789 WeakPolarHBondContact CA-SG 3.43Å; C778-C789 HydrophobicContact CB-CB 3.94Å; C778-C789 WeakPolarHBondContact CB-SG 3.25Å; C778-C789 WeakPolarHBondContact SG-CB 3.43Å; C778-C789 CovalentContact SG-SG 2.04Å; C778-C789 PolarHBondContact SG-SG 3.3Å; F782-C789 HydrophobicContact CB-CB 4.19Å; F782-C789 HydrophobicContact CD1-CB 4.31Å; Y783-C789 CarbonylContact O-C 3.55Å; Y783-C789 WeakPolarHBondContact O-CA 3.47Å |
| 790 | H | 82.9 | Confident | 63.4 | Low | 97 Ų | 97 | 99.6 Ų | 99.6 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.4 | -174.7 | -62.6 | -17.4 | 0 | 0 | 0 | 110.3 | F782 Y783 S792 | F782-H790 CarbonylContact C-O 3.53Å; F782-H790 WeakPolarHBondContact CA-O 3.44Å; F782-H790 WeakPolarHBondContact CB-O 3.2Å; Y783-H790 HydrophobicContact CD1-CB 4.2Å; Y783-H790 WeakPolarHBondContact CD1-O 3.31Å; Y783-H790 HydrophobicContact CD2-CB 4.25Å; Y783-H790 HydrophobicContact CE1-CB 3.77Å; Y783-H790 HydrophobicContact CE2-CB 3.83Å; Y783-H790 AromaticContact CE2-CD2 3.96Å; Y783-H790 HydrophobicContact CG-CB 4.42Å; Y783-H790 PolarHBondContact N-O 3.1Å; Y783-H790 PolarHBondContact O-N 3.28Å; H790-S792 PolarHBondContact O-N 3.26Å |
| 791 | R | 68.3 | Low | 61.6 | Low | 208 Ų | 208 | 106.6 Ų | 106.6 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.4 | -169.4 | -127.5 | 177.8 | -156.1 | 178.2 | 7.6 | 114.3 | G781 F782 Y783 | G781-R791 CarbonylContact O-C 3.55Å; G781-R791 WeakPolarHBondContact O-CA 3.29Å; G781-R791 WeakPolarHBondContact O-CG 3.41Å; F782-R791 HydrophobicContact CD1-CB 4.46Å; F782-R791 HydrophobicContact CD1-CG 4.25Å; F782-R791 HydrophobicContact CE1-CB 4.42Å; F782-R791 HydrophobicContact CE1-CG 3.95Å; F782-R791 HydrophobicContact CE2-CG 4.45Å; F782-R791 HydrophobicContact CZ-CG 4.05Å; Y783-R791 VanDerWaalsContact CE1-O 3.29Å; Y783-R791 WeakPolarHBondContact CE1-O 3.34Å |
| 792 | S | 58.3 | Low | 60.1 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 40% | 0.399 | 60% | 0.596 | S | S | . | * | trans | -119.5 | 179.4 | 174.6 | -160.3 | 0 | 0 | 0 | 0 | 110.7 | G781 H790 | G781-S792 VanDerWaalsContact C-N 3.29Å; G781-S792 CarbonylContact C-O 3.51Å; G781-S792 WeakPolarHBondContact CA-O 3.25Å; G781-S792 PolarHBondContact O-N 3.4Å; H790-S792 PolarHBondContact O-N 3.26Å | ||
| 793 | E | 44.7 | Very low | 58 | Low | 156 Ų | 156 | 115 Ų | 115 | 73% | 0.729 | 63% | 0.627 | S | S | * | * | trans | -129.5 | 139.7 | -178.8 | -56.7 | 178.1 | 149.7 | 0 | 0 | 110 | ||||
| 794 | Y | 41.6 | Very low | 55.7 | Low | 216 Ų | 216 | 116.7 Ų | 116.7 | 85% | 0.847 | 64% | 0.644 | S | S | * | * | trans | 84.3 | 161.2 | 174.2 | -48.1 | -80.7 | 0 | 0 | 0 | 119.5 | ||||
| 795 | G | 36.2 | Very low | 53.3 | Low | 62 Ų | 62 | 117.7 Ų | 117.7 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -152 | -154.2 | -160.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | E780 | E780-G795 WeakPolarHBondContact OE1-CA 3.28Š| ||
| 796 | P | 51.6 | Low | 51 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 62% | 0.617 | 67% | 0.669 | S | S | * | * | trans | -137.7 | -179.9 | -137.7 | 49.8 | -35.8 | 0 | 0 | 0 | 121.8 | E780 | E780-P796 VanDerWaalsContact CD-CD 3.45Å; E780-P796 VanDerWaalsContact OE1-CB 3.31Å; E780-P796 WeakPolarHBondContact OE1-CB 3.33Å; E780-P796 WeakPolarHBondContact OE1-CD 3.19Å; E780-P796 WeakPolarHBondContact OE1-CG 3.14Å; E780-P796 WeakPolarHBondContact OE2-CD 3.31Å; E780-P796 VanDerWaalsContact OE2-CG 3.25Å; E780-P796 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 797 | V | 44.3 | Very low | 49.2 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 95% | 0.945 | 71% | 0.708 | S | S | * | * | trans | -158.8 | 171 | 167 | -164.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 798 | A | 35.2 | Very low | 46.8 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | -149 | -178.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 799 | Q | 35.9 | Very low | 44.3 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | 136.7 | 124.3 | 146.1 | -73.1 | -174.3 | -6.8 | 0 | 0 | 125.8 | ||||
| 800 | S | 33.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 52.8 | 142.3 | 130 | 83.1 | 0 | 0 | 0 | 0 | 133.6 | |||||
| 801 | R | 32.8 | Very low | 39.2 | Very low | 254 Ų | 254 | 141.7 Ų | 141.7 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | 100.4 | 136.6 | 126.3 | -145.8 | 177.8 | -166.7 | 175 | 4.5 | 126.9 | |||||
| 802 | G | 35.2 | Very low | 37.9 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 151.3 | 150.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 803 | D | 37.5 | Very low | 37.4 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -150 | 172.1 | -164 | -171.9 | 22.5 | 0 | 0 | 0 | 118.8 | ||||
| 804 | L | 33.4 | Very low | 38.2 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | 119.4 | 135.6 | 155.7 | -67.5 | 164.5 | 0 | 0 | 0 | 124.1 | ||||
| 805 | G | 33.4 | Very low | 39.5 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 151.4 | 146.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 806 | I | 33.1 | Very low | 40.9 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -137.9 | -166.6 | -172.9 | -10.6 | 174.4 | 0 | 0 | 0 | 115.7 | ||||
| 807 | P | 40.3 | Very low | 41.6 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | -115.5 | -178 | -90.1 | 33.3 | -11.6 | 0 | 0 | 0 | 118.6 | |||||
| 808 | G | 33.2 | Very low | 42.8 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | 161.9 | 103.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 809 | Q | 32.6 | Very low | 44.8 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | 65.8 | 136.4 | 139.1 | -109.8 | -174.7 | 0.8 | 0 | 0 | 128.2 | ||||
| 810 | Q | 33 | Very low | 47.1 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | 93 | 144.6 | 151 | -67.2 | -167.2 | 0.9 | 0 | 0 | 123.2 | ||||
| 811 | N | 29.8 | Very low | 49.3 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -99.1 | 151.9 | -163.6 | -79.3 | -3.5 | 0 | 0 | 0 | 116.1 | ||||
| 812 | V | 40.9 | Very low | 51.5 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | trans | -141.6 | 153 | 163.4 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 813 | S | 47.8 | Very low | 54 | Low | 76 Ų | 76 | 113.4 Ų | 113.4 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | trans | -65.6 | 134.8 | 177.9 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | D816 | S813-D816 VanDerWaalsContact CB-OD2 3.3Å; S813-D816 WeakPolarHBondContact CB-OD2 3.27Å; S813-D816 PolarHBondContact OG-OD2 2.82Å | ||
| 814 | T | 60.6 | Low | 56.3 | Low | 61 Ų | 61 | 106.7 Ų | 106.7 | 37% | 0.374 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -91.5 | -34.3 | -162.7 | 47.2 | 0 | 0 | 0 | 0 | 114.9 | D816 G832 A834 | T814-D816 VanDerWaalsContact C-N 3.33Å; T814-D816 PolarHBondContact O-N 2.81Å; T814-G832 PolarHBondContact OG1-O 3.45Å; T814-A834 WeakPolarHBondContact O-CB 3.45Å |
| 815 | C | 68 | Low | 59 | Low | 43 Ų | 43 | 104.4 Ų | 104.4 | 29% | 0.291 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -75.1 | -10.5 | -177.8 | -91.3 | 0 | 0 | 0 | 0 | 115.4 | Y817 V818 C826 A834 | C815-Y817 PolarHBondContact O-N 2.03Å; C815-Y817 VanDerWaalsContact O-N 3.09Å; C815-V818 PolarHBondContact O-N 2.91Å; C815-C826 VanDerWaalsContact CA-SG 3.53Å; C815-C826 HydrophobicContact CB-CB 4.01Å; C815-C826 WeakPolarHBondContact CB-SG 3.17Å; C815-C826 WeakPolarHBondContact SG-CB 3.04Å; C815-C826 CovalentContact SG-SG 2.05Å; C815-C826 PolarHBondContact SG-SG 3.2Å; C815-A834 HydrophobicContact CB-CB 4.29Å |
| 816 | D | 67.7 | Low | 61.6 | Low | 118 Ų | 118 | 102.8 Ų | 102.8 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -65.2 | -14.5 | -176.2 | -70.6 | -63.7 | 0 | 0 | 0 | 114.4 | S813 T814 | S813-D816 VanDerWaalsContact CB-OD2 3.3Å; S813-D816 WeakPolarHBondContact CB-OD2 3.27Å; S813-D816 PolarHBondContact OG-OD2 2.82Å; T814-D816 VanDerWaalsContact C-N 3.33Å; T814-D816 PolarHBondContact O-N 2.81Å |
| 817 | Y | 66.2 | Low | 63.9 | Low | 195 Ų | 195 | 95.5 Ų | 95.5 | 77% | 0.765 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -117.7 | -6.9 | -175 | -64.6 | -81.1 | 0 | 0 | 0 | 114.6 | C815 | C815-Y817 PolarHBondContact O-N 2.03Å; C815-Y817 VanDerWaalsContact O-N 3.09Å |
| 818 | V | 68.3 | Low | 65.6 | Low | 38 Ų | 38 | 93.6 Ų | 93.6 | 23% | 0.23 | 52% | 0.518 | C | S | . | . | trans | -92.1 | 123.6 | -173.7 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | C815 A834 C836 Y847 | C815-V818 PolarHBondContact O-N 2.91Å; V818-A834 HydrophobicContact CG2-CB 3.73Å; V818-C836 WeakPolarHBondContact CG1-SG 3.06Å; V818-Y847 HydrophobicContact CG1-CE1 4.37Å | ||
| 819 | R | 77.8 | Confident | 67.2 | Low | 227 Ų | 227 | 91.6 Ų | 91.6 | 86% | 0.857 | 49% | 0.488 | S | S | * | . | trans | -108.6 | 105.4 | 177.1 | -70.2 | -170.2 | -179.4 | -161.1 | 1.3 | 111.1 | Y847 | R819-Y847 WeakPolarHBondContact O-CD1 3.39Å; R819-Y847 WeakPolarHBondContact O-CE1 3.5Å | ||
| 820 | C | 84.7 | Confident | 68.7 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | trans | -78.6 | 167 | 177 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | Y825 C826 C836 G846 | C820-Y825 PolarHBondContact SG-O 3.47Å; C820-C826 PolarHBondContact SG-N 2.94Å; C820-C826 VanDerWaalsContact SG-N 3.42Å; C820-C836 WeakPolarHBondContact CA-SG 3.49Å; C820-C836 HydrophobicContact CB-CB 3.7Å; C820-C836 WeakPolarHBondContact CB-SG 3.17Å; C820-C836 VanDerWaalsContact SG-CA 3.55Å; C820-C836 WeakPolarHBondContact SG-CB 3.4Å; C820-C836 CovalentContact SG-SG 2.04Å; C820-C836 PolarHBondContact SG-SG 3.26Å; C820-G846 WeakPolarHBondContact CB-O 3.41Å | ||
| 821 | G | 78.9 | Confident | 70 | Confident | 19 Ų | 19 | 87.8 Ų | 87.8 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | trans | -69.9 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N823 G824 G846 Y847 | G821-N823 PolarHBondContact O-N 2.86Å; G821-G824 PolarHBondContact O-N 3.17Å; G821-G846 PolarHBondContact N-O 2.87Å; G821-Y847 WeakPolarHBondContact CA-O 3.32Å | ||
| 822 | A | 79.9 | Confident | 71.5 | Confident | 81 Ų | 81 | 81.8 Ų | 81.8 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 126.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G824 C849 | A822-G824 VanDerWaalsContact C-N 3.31Å; A822-C849 WeakPolarHBondContact O-CB 3.37Å |
| 823 | N | 86.1 | Confident | 72.9 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 35% | 0.353 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 21.6 | -172 | -35.4 | -68.1 | 0 | 0 | 0 | 114.7 | G821 C838 T839 Y842 C849 | G821-N823 PolarHBondContact O-N 2.86Å; N823-C838 WeakPolarHBondContact O-CA 3.32Å; N823-T839 PolarHBondContact O-N 2.68Å; N823-T839 PolarHBondContact O-OG1 2.76Å; N823-T839 VanDerWaalsContact O-OG1 3.13Å; N823-Y842 HydrophobicContact CB-CD1 3.76Å; N823-Y842 HydrophobicContact CB-CD2 3.79Å; N823-Y842 HydrophobicContact CB-CE1 4.03Å; N823-Y842 HydrophobicContact CB-CE2 4.06Å; N823-Y842 HydrophobicContact CB-CG 3.66Å; N823-Y842 VanDerWaalsContact CG-CE1 3.47Å; N823-Y842 WeakPolarHBondContact ND2-CE1 3.39Å; N823-C849 HydrophobicContact CB-CB 4.15Å; N823-C849 PolarHBondContact O-SG 2.7Å |
| 824 | G | 85.9 | Confident | 74.2 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 152.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G821 A822 F837 | G821-G824 PolarHBondContact O-N 3.17Å; A822-G824 VanDerWaalsContact C-N 3.31Å; G824-F837 CarbonylContact C-O 3.52Å; G824-F837 VanDerWaalsContact CA-O 3.22Å; G824-F837 WeakPolarHBondContact CA-O 3.49Å |
| 825 | Y | 90.4 | Very high | 75.2 | Confident | 122 Ų | 122 | 84 Ų | 84 | 48% | 0.478 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.7 | 176.7 | 71.2 | -85 | 0 | 0 | 0 | 111.6 | C820 C836 F837 T839 | C820-Y825 PolarHBondContact SG-O 3.47Å; Y825-C836 CarbonylContact O-C 3.56Å; Y825-C836 WeakPolarHBondContact O-CA 3.22Å; Y825-F837 HydrophobicContact CD1-CB 4.07Å; Y825-F837 WeakPolarHBondContact CD1-O 3.46Å; Y825-F837 HydrophobicContact CE1-CB 3.54Å; Y825-F837 HydrophobicContact CE2-CB 4.06Å; Y825-F837 HydrophobicContact CE2-CD2 4.32Å; Y825-F837 HydrophobicContact CE2-CG 4.44Å; Y825-F837 PolarHBondContact N-O 3.25Å; Y825-F837 PolarHBondContact O-N 2.83Å; Y825-T839 HydrophobicContact CD1-CG2 3.94Å |
| 826 | C | 88 | Confident | 76.2 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.3 | 175.3 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | C815 C820 R835 | C815-C826 VanDerWaalsContact CA-SG 3.53Å; C815-C826 HydrophobicContact CB-CB 4.01Å; C815-C826 WeakPolarHBondContact CB-SG 3.17Å; C815-C826 WeakPolarHBondContact SG-CB 3.04Å; C815-C826 CovalentContact SG-SG 2.05Å; C815-C826 PolarHBondContact SG-SG 3.2Å; C820-C826 PolarHBondContact SG-N 2.94Å; C820-C826 VanDerWaalsContact SG-N 3.42Å; C826-R835 WeakPolarHBondContact CA-O 3.49Å |
| 827 | G | 82.4 | Confident | 77.2 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 176.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A834 R835 | G827-A834 WeakPolarHBondContact O-CA 3.3Å; G827-R835 PolarHBondContact N-O 3.28Å; G827-R835 PolarHBondContact O-N 3.3Å; G827-R835 VanDerWaalsContact O-O 3.13Å |
| 828 | V | 75.3 | Confident | 78.3 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 53% | 0.527 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.3 | 176 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | G832 Q833 | V828-G832 VanDerWaalsContact CG1-C 3.48Å; V828-G832 WeakPolarHBondContact CG1-O 3.45Å; V828-Q833 WeakPolarHBondContact CA-O 3.3Å |
| 829 | D | 66.7 | Low | 79 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | trans | -84.7 | 178.4 | 175.8 | 66.6 | 38.8 | 0 | 0 | 0 | 112.5 | T831 G832 Q833 | D829-T831 PolarHBondContact O-N 3.01Å; D829-T831 WeakPolarHBondContact OD1-CA 3.4Å; D829-T831 WeakPolarHBondContact OD1-CB 3.09Å; D829-T831 PolarHBondContact OD1-N 2.94Å; D829-T831 PolarHBondContact OD1-OG1 3.46Å; D829-G832 PolarHBondContact O-N 2.85Å; D829-Q833 PolarHBondContact N-O 2.92Å; D829-Q833 PolarHBondContact OD1-N 3.13Å | ||
| 830 | H | 63.8 | Low | 78.9 | Confident | 191 Ų | 191 | 69.9 Ų | 69.9 | 88% | 0.884 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14 | -177.7 | 58.1 | -103.3 | 0 | 0 | 0 | 114 | ||
| 831 | T | 60.8 | Low | 78.2 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.9 | 175.4 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | D829 Q833 | D829-T831 PolarHBondContact O-N 3.01Å; D829-T831 WeakPolarHBondContact OD1-CA 3.4Å; D829-T831 WeakPolarHBondContact OD1-CB 3.09Å; D829-T831 PolarHBondContact OD1-N 2.94Å; D829-T831 PolarHBondContact OD1-OG1 3.46Å; T831-Q833 VanDerWaalsContact C-N 3.3Å; T831-Q833 WeakPolarHBondContact OG1-CG 3.09Å; T831-Q833 PolarHBondContact OG1-N 3.31Å |
| 832 | G | 62.7 | Low | 78.4 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 39% | 0.392 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 83.4 | -0.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T814 V828 D829 | T814-G832 PolarHBondContact OG1-O 3.45Å; V828-G832 VanDerWaalsContact CG1-C 3.48Å; V828-G832 WeakPolarHBondContact CG1-O 3.45Å; D829-G832 PolarHBondContact O-N 2.85Å |
| 833 | Q | 68.8 | Low | 78.2 | Confident | 133 Ų | 133 | 74.8 Ų | 74.8 | 62% | 0.621 | 40% | 0.403 | S | S | * | . | trans | -74.7 | 143.1 | 175.1 | -71.4 | -166.5 | 20.9 | 0 | 0 | 111.7 | V828 D829 T831 | V828-Q833 WeakPolarHBondContact CA-O 3.3Å; D829-Q833 PolarHBondContact N-O 2.92Å; D829-Q833 PolarHBondContact OD1-N 3.13Å; T831-Q833 VanDerWaalsContact C-N 3.3Å; T831-Q833 WeakPolarHBondContact OG1-CG 3.09Å; T831-Q833 PolarHBondContact OG1-N 3.31Å | ||
| 834 | A | 74.5 | Confident | 78 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T814 C815 V818 G827 | T814-A834 WeakPolarHBondContact O-CB 3.45Å; C815-A834 HydrophobicContact CB-CB 4.29Å; V818-A834 HydrophobicContact CG2-CB 3.73Å; G827-A834 WeakPolarHBondContact O-CA 3.3Å |
| 835 | R | 82.9 | Confident | 77.6 | Confident | 149 Ų | 149 | 77.9 Ų | 77.9 | 56% | 0.562 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.3 | -175.3 | -169.3 | 169 | -179.6 | 162.3 | -1.1 | 110.1 | C826 G827 F837 | C826-R835 WeakPolarHBondContact CA-O 3.49Å; G827-R835 PolarHBondContact N-O 3.28Å; G827-R835 PolarHBondContact O-N 3.3Å; G827-R835 VanDerWaalsContact O-O 3.13Å; R835-F837 HydrophobicContact CB-CE2 3.97Å; R835-F837 HydrophobicContact CB-CZ 4.14Å; R835-F837 VanDerWaalsContact O-CD2 3.32Å; R835-F837 WeakPolarHBondContact O-CD2 3.04Å; R835-F837 VanDerWaalsContact O-CE2 3.25Å; R835-F837 WeakPolarHBondContact O-CE2 3.39Å |
| 836 | C | 89.4 | Confident | 77.1 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145.2 | 175.2 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | V818 C820 Y825 G846 Y847 | V818-C836 WeakPolarHBondContact CG1-SG 3.06Å; C820-C836 WeakPolarHBondContact CA-SG 3.49Å; C820-C836 HydrophobicContact CB-CB 3.7Å; C820-C836 WeakPolarHBondContact CB-SG 3.17Å; C820-C836 VanDerWaalsContact SG-CA 3.55Å; C820-C836 WeakPolarHBondContact SG-CB 3.4Å; C820-C836 CovalentContact SG-SG 2.04Å; C820-C836 PolarHBondContact SG-SG 3.26Å; Y825-C836 CarbonylContact O-C 3.56Å; Y825-C836 WeakPolarHBondContact O-CA 3.22Å; C836-G846 VanDerWaalsContact CB-C 3.4Å; C836-G846 WeakPolarHBondContact CB-O 3.22Å; C836-Y847 HydrophobicContact CB-CD2 4.19Å; C836-Y847 HydrophobicContact CB-CE1 4.45Å; C836-Y847 HydrophobicContact CB-CE2 4.06Å; C836-Y847 HydrophobicContact CB-CG 4.45Å; C836-Y847 VanDerWaalsContact SG-CE1 3.53Å |
| 837 | F | 88.4 | Confident | 76.9 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 31% | 0.311 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.5 | -179.4 | -59 | -93 | 0 | 0 | 0 | 109 | G824 Y825 R835 | G824-F837 CarbonylContact C-O 3.52Å; G824-F837 VanDerWaalsContact CA-O 3.22Å; G824-F837 WeakPolarHBondContact CA-O 3.49Å; Y825-F837 HydrophobicContact CD1-CB 4.07Å; Y825-F837 WeakPolarHBondContact CD1-O 3.46Å; Y825-F837 HydrophobicContact CE1-CB 3.54Å; Y825-F837 HydrophobicContact CE2-CB 4.06Å; Y825-F837 HydrophobicContact CE2-CD2 4.32Å; Y825-F837 HydrophobicContact CE2-CG 4.44Å; Y825-F837 PolarHBondContact N-O 3.25Å; Y825-F837 PolarHBondContact O-N 2.83Å; R835-F837 HydrophobicContact CB-CE2 3.97Å; R835-F837 HydrophobicContact CB-CZ 4.14Å; R835-F837 VanDerWaalsContact O-CD2 3.32Å; R835-F837 WeakPolarHBondContact O-CD2 3.04Å; R835-F837 VanDerWaalsContact O-CE2 3.25Å; R835-F837 WeakPolarHBondContact O-CE2 3.39Å |
| 838 | C | 88.5 | Confident | 76.9 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 17% | 0.169 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 147.7 | 177.4 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | N823 Y842 G846 C849 | N823-C838 WeakPolarHBondContact O-CA 3.32Å; C838-Y842 WeakPolarHBondContact CB-O 3.06Å; C838-G846 PolarHBondContact SG-N 2.92Å; C838-C849 WeakPolarHBondContact CA-SG 3.23Å; C838-C849 HydrophobicContact CB-CB 3.83Å; C838-C849 WeakPolarHBondContact CB-SG 3.14Å; C838-C849 VanDerWaalsContact SG-CA 3.56Å; C838-C849 WeakPolarHBondContact SG-CB 3.45Å; C838-C849 CovalentContact SG-SG 2.04Å; C838-C849 PolarHBondContact SG-SG 2.9Å |
| 839 | T | 83.2 | Confident | 77.3 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | trans | -80.2 | 146 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | N823 Y825 G841 Y842 | N823-T839 PolarHBondContact O-N 2.68Å; N823-T839 PolarHBondContact O-OG1 2.76Å; N823-T839 VanDerWaalsContact O-OG1 3.13Å; Y825-T839 HydrophobicContact CD1-CG2 3.94Å; T839-G841 PolarHBondContact O-N 2.72Å; T839-Y842 WeakPolarHBondContact O-CB 3.46Å; T839-Y842 PolarHBondContact O-N 3.1Å | ||
| 840 | N | 76.5 | Confident | 78 | Confident | 170 Ų | 170 | 77.6 Ų | 77.6 | 91% | 0.909 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.8 | 127.2 | -179.4 | -66 | 0.9 | 0 | 0 | 0 | 113.9 | ||
| 841 | G | 68.8 | Low | 78.2 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -5.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | T839 V852 | T839-G841 PolarHBondContact O-N 2.72Å; G841-V852 PolarHBondContact O-N 3.45Å; G841-V852 VanDerWaalsContact O-N 3.07Å |
| 842 | Y | 84.6 | Confident | 77.8 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.1 | 174.2 | -63 | -103.8 | 0 | 0 | 0 | 111.3 | N823 C838 T839 T850 P851 | N823-Y842 HydrophobicContact CB-CD1 3.76Å; N823-Y842 HydrophobicContact CB-CD2 3.79Å; N823-Y842 HydrophobicContact CB-CE1 4.03Å; N823-Y842 HydrophobicContact CB-CE2 4.06Å; N823-Y842 HydrophobicContact CB-CG 3.66Å; N823-Y842 VanDerWaalsContact CG-CE1 3.47Å; N823-Y842 WeakPolarHBondContact ND2-CE1 3.39Å; C838-Y842 WeakPolarHBondContact CB-O 3.06Å; T839-Y842 WeakPolarHBondContact O-CB 3.46Å; T839-Y842 PolarHBondContact O-N 3.1Å; Y842-T850 CarbonylContact C-O 3.6Å; Y842-T850 WeakPolarHBondContact CA-O 3.07Å; Y842-T850 WeakPolarHBondContact CB-O 3.41Å; Y842-T850 VanDerWaalsContact CD1-C 3.49Å; Y842-P851 HydrophobicContact CD1-CB 4.09Å; Y842-P851 HydrophobicContact CD1-CG 4.18Å; Y842-P851 HydrophobicContact CE1-CB 3.79Å; Y842-P851 HydrophobicContact CE1-CG 3.7Å |
| 843 | E | 75.4 | Confident | 77 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 154.6 | 178.9 | 68.3 | -164.7 | 154.6 | 0 | 0 | 111.3 | C849 T850 V852 | E843-C849 CarbonylContact O-C 3.57Å; E843-C849 VanDerWaalsContact O-CA 3.32Å; E843-C849 WeakPolarHBondContact O-CA 3.39Å; E843-T850 PolarHBondContact N-O 2.78Å; E843-T850 PolarHBondContact O-N 3Å; E843-T850 PolarHBondContact O-OG1 2.94Å; E843-V852 HydrophobicContact CB-CG2 4.06Å; E843-V852 HydrophobicContact CG-CG2 4.23Å |
| 844 | G | 80.4 | Confident | 75.2 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 58% | 0.577 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 135.2 | -168.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | G846 T848 | G844-G846 VanDerWaalsContact C-N 3.27Å; G844-G846 PolarHBondContact O-N 2.87Å; G844-T848 WeakPolarHBondContact CA-O 3.48Å |
| 845 | D | 77.7 | Confident | 73.2 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -83.5 | 8.4 | -171.6 | 70.7 | -5.6 | 0 | 0 | 0 | 114.7 | Y847 T848 | D845-Y847 PolarHBondContact O-N 3Å; D845-Y847 WeakPolarHBondContact OD1-CA 3.04Å; D845-Y847 WeakPolarHBondContact OD1-CB 3.38Å; D845-Y847 PolarHBondContact OD1-N 2.87Å; D845-T848 PolarHBondContact OD1-N 3.46Å |
| 846 | G | 80 | Confident | 70.6 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 48% | 0.481 | C | S | . | . | S | Bend | trans | 78.5 | -20 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C820 G821 C836 C838 G844 C849 | C820-G846 WeakPolarHBondContact CB-O 3.41Å; G821-G846 PolarHBondContact N-O 2.87Å; C836-G846 VanDerWaalsContact CB-C 3.4Å; C836-G846 WeakPolarHBondContact CB-O 3.22Å; C838-G846 PolarHBondContact SG-N 2.92Å; G844-G846 VanDerWaalsContact C-N 3.27Å; G844-G846 PolarHBondContact O-N 2.87Å; G846-C849 VanDerWaalsContact CA-SG 3.56Å |
| 847 | Y | 84.1 | Confident | 67.7 | Low | 117 Ų | 117 | 96.2 Ų | 96.2 | 46% | 0.459 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -91.2 | -26.2 | 170.4 | -64.5 | -80.5 | 0 | 0 | 0 | 111.6 | V818 R819 G821 C836 D845 | V818-Y847 HydrophobicContact CG1-CE1 4.37Å; R819-Y847 WeakPolarHBondContact O-CD1 3.39Å; R819-Y847 WeakPolarHBondContact O-CE1 3.5Å; G821-Y847 WeakPolarHBondContact CA-O 3.32Å; C836-Y847 HydrophobicContact CB-CD2 4.19Å; C836-Y847 HydrophobicContact CB-CE1 4.45Å; C836-Y847 HydrophobicContact CB-CE2 4.06Å; C836-Y847 HydrophobicContact CB-CG 4.45Å; C836-Y847 VanDerWaalsContact SG-CE1 3.53Å; D845-Y847 PolarHBondContact O-N 3Å; D845-Y847 WeakPolarHBondContact OD1-CA 3.04Å; D845-Y847 WeakPolarHBondContact OD1-CB 3.38Å; D845-Y847 PolarHBondContact OD1-N 2.87Å |
| 848 | T | 82.2 | Confident | 64.8 | Low | 93 Ų | 93 | 98.7 Ų | 98.7 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -133.8 | 95.4 | -179.9 | -47.5 | 0 | 0 | 0 | 0 | 108 | G844 D845 | G844-T848 WeakPolarHBondContact CA-O 3.48Å; D845-T848 PolarHBondContact OD1-N 3.46Å |
| 849 | C | 85 | Confident | 62 | Low | 15 Ų | 15 | 103.2 Ų | 103.2 | 10% | 0.101 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.3 | -178.8 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | A822 N823 C838 E843 G846 | A822-C849 WeakPolarHBondContact O-CB 3.37Å; N823-C849 HydrophobicContact CB-CB 4.15Å; N823-C849 PolarHBondContact O-SG 2.7Å; C838-C849 WeakPolarHBondContact CA-SG 3.23Å; C838-C849 HydrophobicContact CB-CB 3.83Å; C838-C849 WeakPolarHBondContact CB-SG 3.14Å; C838-C849 VanDerWaalsContact SG-CA 3.56Å; C838-C849 WeakPolarHBondContact SG-CB 3.45Å; C838-C849 CovalentContact SG-SG 2.04Å; C838-C849 PolarHBondContact SG-SG 2.9Å; E843-C849 CarbonylContact O-C 3.57Å; E843-C849 VanDerWaalsContact O-CA 3.32Å; E843-C849 WeakPolarHBondContact O-CA 3.39Å; G846-C849 VanDerWaalsContact CA-SG 3.56Å |
| 850 | T | 81.1 | Confident | 59.5 | Low | 72 Ų | 72 | 111 Ų | 111 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 143.4 | 179.8 | 40.6 | 0 | 0 | 0 | 0 | 111.6 | Y842 E843 V852 | Y842-T850 CarbonylContact C-O 3.6Å; Y842-T850 WeakPolarHBondContact CA-O 3.07Å; Y842-T850 WeakPolarHBondContact CB-O 3.41Å; Y842-T850 VanDerWaalsContact CD1-C 3.49Å; E843-T850 PolarHBondContact N-O 2.78Å; E843-T850 PolarHBondContact O-N 3Å; E843-T850 PolarHBondContact O-OG1 2.94Å; T850-V852 PolarHBondContact O-N 2.96Å |
| 851 | P | 66.7 | Low | 57.7 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 130.9 | 176.9 | 0.7 | 10.6 | 0 | 0 | 0 | 110.1 | Y842 Q853 | Y842-P851 HydrophobicContact CD1-CB 4.09Å; Y842-P851 HydrophobicContact CD1-CG 4.18Å; Y842-P851 HydrophobicContact CE1-CB 3.79Å; Y842-P851 HydrophobicContact CE1-CG 3.7Å; P851-Q853 PolarHBondContact O-N 3.05Å; P851-Q853 VanDerWaalsContact O-N 3.14Å |
| 852 | V | 54 | Low | 56.5 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 53% | 0.533 | 60% | 0.602 | S | S | . | * | trans | -63.1 | 115 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | G841 E843 T850 | G841-V852 PolarHBondContact O-N 3.45Å; G841-V852 VanDerWaalsContact O-N 3.07Å; E843-V852 HydrophobicContact CB-CG2 4.06Å; E843-V852 HydrophobicContact CG-CG2 4.23Å; T850-V852 PolarHBondContact O-N 2.96Å | ||
| 853 | Q | 44.3 | Very low | 55 | Low | 164 Ų | 164 | 115.3 Ų | 115.3 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141.5 | -177.7 | -60.8 | -169.5 | 14.8 | 0 | 0 | 111.1 | P851 | P851-Q853 PolarHBondContact O-N 3.05Å; P851-Q853 VanDerWaalsContact O-N 3.14Å |
| 854 | Q | 30.9 | Very low | 54.5 | Low | 184 Ų | 184 | 113.6 Ų | 113.6 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.2 | 173.6 | -69 | -179.9 | -17.1 | 0 | 0 | 109.4 | Q856 | Q854-Q856 PolarHBondContact O-N 3.36Å; Q854-Q856 VanDerWaalsContact O-N 3.17Å |
| 855 | P | 33.2 | Very low | 54.3 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 86% | 0.864 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -63 | 118.1 | -176.2 | -25.1 | 34.8 | 0 | 0 | 0 | 112.8 | ||
| 856 | Q | 28 | Very low | 54.4 | Low | 186 Ų | 186 | 111 Ų | 111 | 87% | 0.869 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -88 | 165.7 | 150.7 | -65.1 | -160 | -93.5 | 0 | 0 | 109.5 | Q854 | Q854-Q856 PolarHBondContact O-N 3.36Å; Q854-Q856 VanDerWaalsContact O-N 3.17Å |
| 857 | E | 29.6 | Very low | 54 | Low | 188 Ų | 188 | 121.6 Ų | 121.6 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -65.3 | 150.2 | -168.7 | -61.8 | 162.8 | 113.1 | 0 | 0 | 114.6 | ||
| 858 | S | 27 | Very low | 53 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | trans | 102.9 | 142.7 | 160.6 | 77 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 859 | D | 29.6 | Very low | 52.7 | Low | 121 Ų | 121 | 117 Ų | 117 | 65% | 0.647 | 58% | 0.584 | S | S | * | * | trans | 87.7 | 77.4 | 159.6 | -118.8 | 3.8 | 0 | 0 | 0 | 122.1 | ||||
| 860 | R | 30.1 | Very low | 52.2 | Low | 217 Ų | 217 | 122.1 Ų | 122.1 | 82% | 0.819 | 61% | 0.606 | S | S | * | * | trans | 52.1 | 97 | 130.6 | -62.9 | 177.7 | -175.4 | 119.5 | -10.4 | 119.8 | ||||
| 861 | R | 39.1 | Very low | 51.9 | Low | 250 Ų | 250 | 122.8 Ų | 122.8 | 94% | 0.943 | 61% | 0.605 | S | S | * | * | trans | -171.8 | -5.2 | 130.7 | -111.7 | 177.1 | -160 | -143.8 | 3.1 | 116.1 | ||||
| 862 | L | 44.3 | Very low | 52.8 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 67% | 0.67 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -75.5 | 144.6 | 170.5 | -67.2 | 85.8 | 0 | 0 | 0 | 110 | I884 | L862-I884 HydrophobicContact CD2-CG2 3.68Š|
| 863 | G | 52.8 | Low | 54.3 | Low | 18 Ų | 18 | 117 Ų | 117 | 19% | 0.186 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -56.8 | 145.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I865 | G863-I865 PolarHBondContact O-N 2.76Š|
| 864 | T | 64.4 | Low | 55.9 | Low | 67 Ų | 67 | 116.8 Ų | 116.8 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 123.7 | -171.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | C866 Q888 C889 V900 | T864-C866 PolarHBondContact O-N 2.89Å; T864-Q888 CarbonylContact O-C 3.49Å; T864-Q888 WeakPolarHBondContact O-CA 3.27Å; T864-C889 PolarHBondContact O-N 2.85Å; T864-V900 HydrophobicContact CG2-CG2 4.38Å; T864-V900 WeakPolarHBondContact OG1-CG2 3.3Å |
| 865 | I | 75.8 | Confident | 58.5 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 119.9 | 173.3 | -67.3 | 175.6 | 0 | 0 | 0 | 107.8 | G863 H886 Y887 | G863-I865 PolarHBondContact O-N 2.76Å; I865-H886 HydrophobicContact CD1-CB 4.31Å; I865-H886 HydrophobicContact CG1-CB 4.38Å; I865-H886 HydrophobicContact CG2-CB 4.21Å; I865-Y887 CarbonylContact C-O 3.57Å; I865-Y887 VanDerWaalsContact CA-O 3.25Å; I865-Y887 WeakPolarHBondContact CA-O 3.37Å |
| 866 | C | 80.2 | Confident | 60.8 | Low | 4 Ų | 4 | 106.2 Ų | 106.2 | 3% | 0.027 | 51% | 0.505 | C | S | . | . | trans | -112.2 | 161 | -174.4 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | T864 E871 C878 Y887 Q888 | T864-C866 PolarHBondContact O-N 2.89Å; C866-E871 VanDerWaalsContact CA-OE2 3.24Å; C866-E871 WeakPolarHBondContact CA-OE2 3.39Å; C866-E871 HydrophobicContact CB-CB 4.05Å; C866-C878 HydrophobicContact CB-CB 3.93Å; C866-C878 WeakPolarHBondContact CB-SG 3.33Å; C866-C878 WeakPolarHBondContact SG-CA 3.46Å; C866-C878 WeakPolarHBondContact SG-CB 3.3Å; C866-C878 CovalentContact SG-SG 2.03Å; C866-C878 PolarHBondContact SG-SG 2.87Å; C866-Y887 PolarHBondContact N-O 2.84Å; C866-Y887 WeakPolarHBondContact O-CB 3.26Å; C866-Y887 VanDerWaalsContact SG-C 3.59Å; C866-Q888 PolarHBondContact SG-O 2.92Å | ||
| 867 | R | 71.3 | Confident | 63.5 | Low | 223 Ų | 223 | 99.6 Ų | 99.6 | 84% | 0.842 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -125.1 | -22.3 | 177.7 | -56.7 | 175.1 | -179.3 | -170.7 | 0.5 | 112.2 | E871 | R867-E871 PolarHBondContact N-OE2 2.86Š|
| 868 | S | 64 | Low | 66.3 | Low | 38 Ų | 38 | 91.1 Ų | 91.1 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -138.6 | 169.7 | 169.1 | 75.2 | 0 | 0 | 0 | 0 | 109.3 | E870 E871 C878 | S868-E870 PolarHBondContact O-N 2.87Å; S868-E870 PolarHBondContact OG-N 2.78Å; S868-E871 PolarHBondContact O-N 2.84Å; S868-C878 WeakPolarHBondContact O-CB 3.29Å |
| 869 | H | 75.8 | Confident | 68.9 | Low | 77 Ų | 77 | 86.9 Ų | 86.9 | 36% | 0.356 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -69.1 | -17.5 | 175.6 | -63.1 | -105.9 | 0 | 0 | 0 | 112.4 | E871 C872 C878 | H869-E871 VanDerWaalsContact C-N 3.31Å; H869-C872 WeakPolarHBondContact O-CB 3.03Å; H869-C872 PolarHBondContact O-N 2.9Å; H869-C878 PolarHBondContact CE1-O 2.69Å; H869-C878 PolarHBondContact ND1-N 2.83Å |
| 870 | E | 73.2 | Confident | 71.2 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -78.4 | -13.5 | 179.5 | -48.5 | -179.7 | 116.6 | 0 | 0 | 113.3 | W350 S868 C872 | W350-E870 VanDerWaalsContact CE2-OE1 3.3Å; W350-E870 WeakPolarHBondContact CZ2-OE1 3.29Å; W350-E870 VanDerWaalsContact NE1-CD 3.34Å; W350-E870 PolarHBondContact NE1-OE1 2.93Å; W350-E870 PolarHBondContact NE1-OE2 2.74Å; S868-E870 PolarHBondContact O-N 2.87Å; S868-E870 PolarHBondContact OG-N 2.78Å; E870-C872 PolarHBondContact O-N 2.91Å |
| 871 | E | 76.1 | Confident | 73.1 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -81.9 | 2.5 | 171.5 | -64.7 | -179.4 | 177.4 | 0 | 0 | 112.1 | C866 R867 S868 H869 C889 | C866-E871 VanDerWaalsContact CA-OE2 3.24Å; C866-E871 WeakPolarHBondContact CA-OE2 3.39Å; C866-E871 HydrophobicContact CB-CB 4.05Å; R867-E871 PolarHBondContact N-OE2 2.86Å; S868-E871 PolarHBondContact O-N 2.84Å; H869-E871 VanDerWaalsContact C-N 3.31Å; E871-C889 PolarHBondContact O-SG 2.91Å |
| 872 | C | 85.7 | Confident | 74.3 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -113.1 | 174.6 | 177.2 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | H869 E870 C889 | H869-C872 WeakPolarHBondContact O-CB 3.03Å; H869-C872 PolarHBondContact O-N 2.9Å; E870-C872 PolarHBondContact O-N 2.91Å; C872-C889 WeakPolarHBondContact CA-SG 3.5Å; C872-C889 HydrophobicContact CB-CB 3.74Å; C872-C889 WeakPolarHBondContact CB-SG 3.35Å; C872-C889 WeakPolarHBondContact SG-CA 3.21Å; C872-C889 WeakPolarHBondContact SG-CB 3.34Å; C872-C889 CovalentContact SG-SG 2.04Å; C872-C889 PolarHBondContact SG-SG 3.04Å |
| 873 | S | 84.1 | Confident | 75.2 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | trans | -68.1 | 163 | 174.8 | 97 | 0 | 0 | 0 | 0 | 111.8 | Y875 G876 G899 V900 C902 | S873-Y875 PolarHBondContact O-N 3.21Å; S873-Y875 VanDerWaalsContact O-N 3.13Å; S873-Y875 PolarHBondContact OG-N 2.83Å; S873-G876 WeakPolarHBondContact O-CA 3.02Å; S873-G876 PolarHBondContact O-N 3.47Å; S873-G876 PolarHBondContact OG-N 3.48Å; S873-G876 VanDerWaalsContact OG-N 3.14Å; S873-G899 PolarHBondContact N-O 3.09Å; S873-V900 WeakPolarHBondContact CB-O 3.41Å; S873-C902 PolarHBondContact OG-SG 2.86Å | ||
| 874 | Q | 79.5 | Confident | 76.2 | Confident | 158 Ų | 158 | 73.4 Ų | 73.4 | 74% | 0.738 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.9 | 172.2 | 70.6 | -174.9 | 4.8 | 0 | 0 | 113.9 | ||
| 875 | Y | 84.4 | Confident | 76.4 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 16.2 | 172.7 | -46 | -58.6 | 0 | 0 | 0 | 112 | S873 R892 Y895 | S873-Y875 PolarHBondContact O-N 3.21Å; S873-Y875 VanDerWaalsContact O-N 3.13Å; S873-Y875 PolarHBondContact OG-N 2.83Å; Y875-R892 PolarHBondContact O-N 2.85Å; Y875-Y895 HydrophobicContact CD1-CD1 4.45Å; Y875-Y895 HydrophobicContact CD1-CD2 4.36Å; Y875-Y895 AromaticContact CD1-CE1 3.83Å; Y875-Y895 HydrophobicContact CD1-CE1 3.83Å; Y875-Y895 AromaticContact CD1-CE2 3.74Å; Y875-Y895 HydrophobicContact CD1-CE2 3.74Å; Y875-Y895 AromaticContact CD1-CZ 3.44Å; Y875-Y895 VanDerWaalsContact CD1-CZ 3.44Å; Y875-Y895 AromaticContact CD2-CD1 3.73Å; Y875-Y895 HydrophobicContact CD2-CD1 3.73Å; Y875-Y895 AromaticContact CD2-CE1 3.49Å; Y875-Y895 HydrophobicContact CD2-CE1 3.49Å; Y875-Y895 VanDerWaalsContact CD2-CE1 3.49Å; Y875-Y895 HydrophobicContact CD2-CG 4.44Å; Y875-Y895 HydrophobicContact CE1-CE1 4.04Å; Y875-Y895 HydrophobicContact CE1-CE2 4.35Å; Y875-Y895 AromaticContact CE1-CZ 3.66Å; Y875-Y895 VanDerWaalsContact CE1-OH 3.3Å; Y875-Y895 WeakPolarHBondContact CE1-OH 3.41Å; Y875-Y895 HydrophobicContact CE2-CD1 4.35Å; Y875-Y895 AromaticContact CE2-CE1 3.71Å; Y875-Y895 HydrophobicContact CE2-CE1 3.71Å; Y875-Y895 AromaticContact CG-CD1 3.78Å; Y875-Y895 HydrophobicContact CG-CD1 3.78Å; Y875-Y895 HydrophobicContact CG-CD2 4.13Å; Y875-Y895 AromaticContact CG-CE1 3.55Å; Y875-Y895 HydrophobicContact CG-CE1 3.55Å; Y875-Y895 AromaticContact CG-CE2 3.93Å; Y875-Y895 HydrophobicContact CG-CE2 3.93Å; Y875-Y895 HydrophobicContact CG-CG 4.08Å; Y875-Y895 AromaticContact CG-CZ 3.64Å; Y875-Y895 AromaticContact CZ-CE1 3.96Å |
| 876 | G | 82.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 80 Ų | 80 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S873 Q890 R892 | S873-G876 WeakPolarHBondContact O-CA 3.02Å; S873-G876 PolarHBondContact O-N 3.47Å; S873-G876 PolarHBondContact OG-N 3.48Å; S873-G876 VanDerWaalsContact OG-N 3.14Å; G876-Q890 CarbonylContact C-O 3.51Å; G876-Q890 VanDerWaalsContact CA-O 3.3Å; G876-Q890 WeakPolarHBondContact CA-O 3.01Å; G876-R892 PolarHBondContact O-NE 2.82Å |
| 877 | H | 85.4 | Confident | 76.4 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 22% | 0.222 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 150.8 | 168.9 | 59.4 | -40.5 | 0 | 0 | 0 | 110.2 | V879 C889 Q890 C891 R892 | H877-V879 WeakPolarHBondContact CD2-CG1 3.19Å; H877-C889 WeakPolarHBondContact O-CA 3.4Å; H877-Q890 PolarHBondContact N-O 2.95Å; H877-Q890 PolarHBondContact ND1-O 2.86Å; H877-Q890 PolarHBondContact O-N 2.86Å; H877-C891 PolarHBondContact CE1-O 2.89Å; H877-R892 HydrophobicContact CB-CG 4.37Å |
| 878 | C | 87.4 | Confident | 77.1 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.7 | -177.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | C866 S868 H869 Y887 | C866-C878 HydrophobicContact CB-CB 3.93Å; C866-C878 WeakPolarHBondContact CB-SG 3.33Å; C866-C878 WeakPolarHBondContact SG-CA 3.46Å; C866-C878 WeakPolarHBondContact SG-CB 3.3Å; C866-C878 CovalentContact SG-SG 2.03Å; C866-C878 PolarHBondContact SG-SG 2.87Å; S868-C878 WeakPolarHBondContact O-CB 3.29Å; H869-C878 PolarHBondContact CE1-O 2.69Å; H869-C878 PolarHBondContact ND1-N 2.83Å; C878-Y887 VanDerWaalsContact SG-CB 3.57Å |
| 879 | V | 82.2 | Confident | 78.2 | Confident | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.8 | -170.3 | -67.3 | 0 | 0 | 0 | 0 | 112 | H877 N881 Y887 Q888 Q890 | H877-V879 WeakPolarHBondContact CD2-CG1 3.19Å; V879-N881 PolarHBondContact O-N 2.91Å; V879-Y887 CarbonylContact O-C 3.53Å; V879-Y887 VanDerWaalsContact O-CA 3.25Å; V879-Y887 WeakPolarHBondContact O-CA 3.29Å; V879-Q888 HydrophobicContact CG2-CG 4.19Å; V879-Q888 WeakPolarHBondContact CG2-O 3.09Å; V879-Q888 PolarHBondContact N-O 3.35Å; V879-Q888 PolarHBondContact O-N 3.47Å; V879-Q890 HydrophobicContact CG2-CB 3.63Å |
| 880 | Y | 77.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 74 Ų | 74 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 115.9 | 178.3 | -170.3 | -106 | 0 | 0 | 0 | 110.6 | E882 R885 Y887 | Y880-E882 HydrophobicContact CD1-CG 4.16Å; Y880-E882 HydrophobicContact CE1-CG 4.22Å; Y880-R885 VanDerWaalsContact CE2-C 3.49Å; Y880-R885 WeakPolarHBondContact OH-CA 3.43Å; Y880-Y887 HydrophobicContact CD2-CD1 4.37Å; Y880-Y887 AromaticContact CD2-CD2 3.99Å; Y880-Y887 HydrophobicContact CD2-CD2 3.99Å; Y880-Y887 HydrophobicContact CD2-CE1 4.09Å; Y880-Y887 AromaticContact CD2-CE2 3.67Å; Y880-Y887 HydrophobicContact CD2-CE2 3.67Å; Y880-Y887 HydrophobicContact CD2-CG 4.28Å; Y880-Y887 AromaticContact CD2-CZ 3.68Å; Y880-Y887 HydrophobicContact CE2-CE2 4.33Å; Y880-Y887 HydrophobicContact CG-CE1 4.3Å |
| 881 | N | 70.7 | Confident | 79.1 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 108.5 | 173 | 173.9 | -5.4 | 0 | 0 | 0 | 109.3 | V879 A883 I884 R885 H886 Q888 | V879-N881 PolarHBondContact O-N 2.91Å; N881-A883 PolarHBondContact O-N 2.92Å; N881-A883 WeakPolarHBondContact OD1-CB 3.45Å; N881-A883 PolarHBondContact OD1-N 2.96Å; N881-I884 HydrophobicContact CB-CD1 4.05Å; N881-I884 HydrophobicContact CB-CG1 3.75Å; N881-I884 WeakPolarHBondContact O-CG1 3.21Å; N881-I884 PolarHBondContact O-N 2.75Å; N881-I884 VanDerWaalsContact O-N 3.14Å; N881-R885 PolarHBondContact O-N 3.07Å; N881-H886 PolarHBondContact N-O 3.12Å; N881-Q888 HydrophobicContact CB-CG 3.93Å; N881-Q888 PolarHBondContact ND2-NE2 2.88Å; N881-Q888 PolarHBondContact ND2-OE1 3.22Å |
| 882 | E | 63.6 | Low | 79.1 | Confident | 160 Ų | 160 | 69.6 Ų | 69.6 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.6 | -177.5 | -59.9 | -160 | 133.5 | 0 | 0 | 113.6 | Y880 I884 R885 | Y880-E882 HydrophobicContact CD1-CG 4.16Å; Y880-E882 HydrophobicContact CE1-CG 4.22Å; E882-I884 VanDerWaalsContact C-N 3.29Å; E882-I884 PolarHBondContact O-N 3.16Å; E882-R885 PolarHBondContact O-N 3.29Å |
| 883 | A | 64.1 | Low | 77.9 | Confident | 93 Ų | 93 | 72 Ų | 72 | 77% | 0.769 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N881 | N881-A883 PolarHBondContact O-N 2.92Å; N881-A883 WeakPolarHBondContact OD1-CB 3.45Å; N881-A883 PolarHBondContact OD1-N 2.96Å |
| 884 | I | 73.8 | Confident | 76.6 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -8.2 | 178 | 65.2 | 173.7 | 0 | 0 | 0 | 113.7 | L862 N881 E882 H886 Q888 | L862-I884 HydrophobicContact CD2-CG2 3.68Å; N881-I884 HydrophobicContact CB-CD1 4.05Å; N881-I884 HydrophobicContact CB-CG1 3.75Å; N881-I884 WeakPolarHBondContact O-CG1 3.21Å; N881-I884 PolarHBondContact O-N 2.75Å; N881-I884 VanDerWaalsContact O-N 3.14Å; E882-I884 VanDerWaalsContact C-N 3.29Å; E882-I884 PolarHBondContact O-N 3.16Å; I884-H886 HydrophobicContact CD1-CB 4.13Å; I884-H886 HydrophobicContact CG1-CB 4.13Å; I884-H886 PolarHBondContact O-N 3.3Å; I884-H886 PolarHBondContact O-ND1 2.93Å; I884-Q888 HydrophobicContact CD1-CB 4.25Å |
| 885 | R | 68.8 | Low | 76 | Confident | 197 Ų | 197 | 67.9 Ų | 67.9 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 28.6 | -176.7 | -58.3 | -176.3 | 172.3 | -157.2 | -4.9 | 114.6 | Y880 N881 E882 | Y880-R885 VanDerWaalsContact CE2-C 3.49Å; Y880-R885 WeakPolarHBondContact OH-CA 3.43Å; N881-R885 PolarHBondContact O-N 3.07Å; E882-R885 PolarHBondContact O-N 3.29Å |
| 886 | H | 75.6 | Confident | 75.2 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157 | 179 | -73.4 | 79.3 | 0 | 0 | 0 | 108.9 | I865 N881 I884 | I865-H886 HydrophobicContact CD1-CB 4.31Å; I865-H886 HydrophobicContact CG1-CB 4.38Å; I865-H886 HydrophobicContact CG2-CB 4.21Å; N881-H886 PolarHBondContact N-O 3.12Å; I884-H886 HydrophobicContact CD1-CB 4.13Å; I884-H886 HydrophobicContact CG1-CB 4.13Å; I884-H886 PolarHBondContact O-N 3.3Å; I884-H886 PolarHBondContact O-ND1 2.93Å |
| 887 | Y | 79.3 | Confident | 74.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.3 | 167.9 | -62.9 | -95.5 | 0 | 0 | 0 | 109.5 | F582 I865 C866 C878 V879 Y880 | F582-Y887 HydrophobicContact CE2-CE1 4.47Å; F582-Y887 AromaticContact CE2-CZ 3.87Å; F582-Y887 WeakPolarHBondContact CE2-OH 3.48Å; F582-Y887 HydrophobicContact CZ-CE2 4.19Å; F582-Y887 AromaticContact CZ-CZ 3.85Å; F582-Y887 WeakPolarHBondContact CZ-OH 3.34Å; I865-Y887 CarbonylContact C-O 3.57Å; I865-Y887 VanDerWaalsContact CA-O 3.25Å; I865-Y887 WeakPolarHBondContact CA-O 3.37Å; C866-Y887 PolarHBondContact N-O 2.84Å; C866-Y887 WeakPolarHBondContact O-CB 3.26Å; C866-Y887 VanDerWaalsContact SG-C 3.59Å; C878-Y887 VanDerWaalsContact SG-CB 3.57Å; V879-Y887 CarbonylContact O-C 3.53Å; V879-Y887 VanDerWaalsContact O-CA 3.25Å; V879-Y887 WeakPolarHBondContact O-CA 3.29Å; Y880-Y887 HydrophobicContact CD2-CD1 4.37Å; Y880-Y887 AromaticContact CD2-CD2 3.99Å; Y880-Y887 HydrophobicContact CD2-CD2 3.99Å; Y880-Y887 HydrophobicContact CD2-CE1 4.09Å; Y880-Y887 AromaticContact CD2-CE2 3.67Å; Y880-Y887 HydrophobicContact CD2-CE2 3.67Å; Y880-Y887 HydrophobicContact CD2-CG 4.28Å; Y880-Y887 AromaticContact CD2-CZ 3.68Å; Y880-Y887 HydrophobicContact CE2-CE2 4.33Å; Y880-Y887 HydrophobicContact CG-CE1 4.3Å |
| 888 | Q | 87.2 | Confident | 74.4 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.2 | 174.7 | 70.5 | -179.7 | 17 | 0 | 0 | 109.9 | T864 C866 V879 N881 I884 | T864-Q888 CarbonylContact O-C 3.49Å; T864-Q888 WeakPolarHBondContact O-CA 3.27Å; C866-Q888 PolarHBondContact SG-O 2.92Å; V879-Q888 HydrophobicContact CG2-CG 4.19Å; V879-Q888 WeakPolarHBondContact CG2-O 3.09Å; V879-Q888 PolarHBondContact N-O 3.35Å; V879-Q888 PolarHBondContact O-N 3.47Å; N881-Q888 HydrophobicContact CB-CG 3.93Å; N881-Q888 PolarHBondContact ND2-NE2 2.88Å; N881-Q888 PolarHBondContact ND2-OE1 3.22Å; I884-Q888 HydrophobicContact CD1-CB 4.25Å |
| 889 | C | 86.5 | Confident | 73.8 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.8 | 166.1 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | T864 E871 C872 H877 V900 | T864-C889 PolarHBondContact O-N 2.85Å; E871-C889 PolarHBondContact O-SG 2.91Å; C872-C889 WeakPolarHBondContact CA-SG 3.5Å; C872-C889 HydrophobicContact CB-CB 3.74Å; C872-C889 WeakPolarHBondContact CB-SG 3.35Å; C872-C889 WeakPolarHBondContact SG-CA 3.21Å; C872-C889 WeakPolarHBondContact SG-CB 3.34Å; C872-C889 CovalentContact SG-SG 2.04Å; C872-C889 PolarHBondContact SG-SG 3.04Å; H877-C889 WeakPolarHBondContact O-CA 3.4Å; C889-V900 HydrophobicContact CB-CG2 4.15Å |
| 890 | Q | 84.9 | Confident | 73.7 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.8 | 169.2 | -177.8 | 169.1 | -23.4 | 0 | 0 | 108.7 | G876 H877 V879 | G876-Q890 CarbonylContact C-O 3.51Å; G876-Q890 VanDerWaalsContact CA-O 3.3Å; G876-Q890 WeakPolarHBondContact CA-O 3.01Å; H877-Q890 PolarHBondContact N-O 2.95Å; H877-Q890 PolarHBondContact ND1-O 2.86Å; H877-Q890 PolarHBondContact O-N 2.86Å; V879-Q890 HydrophobicContact CG2-CB 3.63Å |
| 891 | C | 83.6 | Confident | 73.7 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 145.3 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | H877 Y895 G897 G899 C902 | H877-C891 PolarHBondContact CE1-O 2.89Å; C891-Y895 WeakPolarHBondContact CB-O 3.46Å; C891-G897 VanDerWaalsContact SG-C 3.53Å; C891-G897 VanDerWaalsContact SG-CA 3.56Å; C891-G899 PolarHBondContact SG-N 3.46Å; C891-G899 VanDerWaalsContact SG-N 3.35Å; C891-C902 WeakPolarHBondContact CA-SG 3.43Å; C891-C902 HydrophobicContact CB-CB 3.83Å; C891-C902 WeakPolarHBondContact CB-SG 3.28Å; C891-C902 WeakPolarHBondContact SG-CA 3.37Å; C891-C902 WeakPolarHBondContact SG-CB 3.28Å; C891-C902 CovalentContact SG-SG 2.04Å; C891-C902 PolarHBondContact SG-SG 2.83Å |
| 892 | R | 75.2 | Confident | 74.2 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -79 | 132.7 | 169.1 | -60.7 | -177.3 | -176.5 | -135.4 | 4 | 108 | Y875 G876 H877 Y895 | Y875-R892 PolarHBondContact O-N 2.85Å; G876-R892 PolarHBondContact O-NE 2.82Å; H877-R892 HydrophobicContact CB-CG 4.37Å; R892-Y895 WeakPolarHBondContact O-CA 3.41Å; R892-Y895 WeakPolarHBondContact O-CB 3.26Å; R892-Y895 WeakPolarHBondContact O-CD2 3.16Å; R892-Y895 PolarHBondContact O-N 3.22Å |
| 893 | P | 59.9 | Low | 74.8 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 143.3 | 167.4 | -23.7 | 34.1 | 0 | 0 | 0 | 110.5 | Y895 Y923 | P893-Y895 VanDerWaalsContact C-N 3.33Å; P893-Y923 HydrophobicContact CB-CD1 4.48Å; P893-Y923 HydrophobicContact CB-CE1 3.96Å; P893-Y923 HydrophobicContact CB-CE2 4.49Å; P893-Y923 HydrophobicContact CG-CE1 4.14Å |
| 894 | P | 56.9 | Low | 74.4 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -72.9 | -2.2 | 3.1 | 26.3 | -34.6 | 0 | 0 | 0 | 116.8 | L904 Y932 | P894-L904 HydrophobicContact CB-CD1 4.02Å; P894-L904 HydrophobicContact CG-CD1 3.51Å; P894-L904 HydrophobicContact CG-CG 4.49Å; P894-Y932 HydrophobicContact CB-CE2 3.75Å; P894-Y932 WeakPolarHBondContact CB-OH 3.47Å; P894-Y932 WeakPolarHBondContact CD-OH 3.44Å |
| 895 | Y | 68.1 | Low | 73.6 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.2 | -167.7 | -56.4 | -101.4 | 0 | 0 | 0 | 112.2 | Y875 C891 R892 P893 F903 L904 | Y875-Y895 HydrophobicContact CD1-CD1 4.45Å; Y875-Y895 HydrophobicContact CD1-CD2 4.36Å; Y875-Y895 AromaticContact CD1-CE1 3.83Å; Y875-Y895 HydrophobicContact CD1-CE1 3.83Å; Y875-Y895 AromaticContact CD1-CE2 3.74Å; Y875-Y895 HydrophobicContact CD1-CE2 3.74Å; Y875-Y895 AromaticContact CD1-CZ 3.44Å; Y875-Y895 VanDerWaalsContact CD1-CZ 3.44Å; Y875-Y895 AromaticContact CD2-CD1 3.73Å; Y875-Y895 HydrophobicContact CD2-CD1 3.73Å; Y875-Y895 AromaticContact CD2-CE1 3.49Å; Y875-Y895 HydrophobicContact CD2-CE1 3.49Å; Y875-Y895 VanDerWaalsContact CD2-CE1 3.49Å; Y875-Y895 HydrophobicContact CD2-CG 4.44Å; Y875-Y895 HydrophobicContact CE1-CE1 4.04Å; Y875-Y895 HydrophobicContact CE1-CE2 4.35Å; Y875-Y895 AromaticContact CE1-CZ 3.66Å; Y875-Y895 VanDerWaalsContact CE1-OH 3.3Å; Y875-Y895 WeakPolarHBondContact CE1-OH 3.41Å; Y875-Y895 HydrophobicContact CE2-CD1 4.35Å; Y875-Y895 AromaticContact CE2-CE1 3.71Å; Y875-Y895 HydrophobicContact CE2-CE1 3.71Å; Y875-Y895 AromaticContact CG-CD1 3.78Å; Y875-Y895 HydrophobicContact CG-CD1 3.78Å; Y875-Y895 HydrophobicContact CG-CD2 4.13Å; Y875-Y895 AromaticContact CG-CE1 3.55Å; Y875-Y895 HydrophobicContact CG-CE1 3.55Å; Y875-Y895 AromaticContact CG-CE2 3.93Å; Y875-Y895 HydrophobicContact CG-CE2 3.93Å; Y875-Y895 HydrophobicContact CG-CG 4.08Å; Y875-Y895 AromaticContact CG-CZ 3.64Å; Y875-Y895 AromaticContact CZ-CE1 3.96Å; C891-Y895 WeakPolarHBondContact CB-O 3.46Å; R892-Y895 WeakPolarHBondContact O-CA 3.41Å; R892-Y895 WeakPolarHBondContact O-CB 3.26Å; R892-Y895 WeakPolarHBondContact O-CD2 3.16Å; R892-Y895 PolarHBondContact O-N 3.22Å; P893-Y895 VanDerWaalsContact C-N 3.33Å; Y895-F903 CarbonylContact C-O 3.57Å; Y895-F903 VanDerWaalsContact CA-O 3.29Å; Y895-F903 WeakPolarHBondContact CA-O 3.41Å; Y895-L904 HydrophobicContact CD1-CD1 4Å; Y895-L904 HydrophobicContact CD2-CD1 4.48Å; Y895-L904 HydrophobicContact CE1-CD1 3.67Å; Y895-L904 HydrophobicContact CE2-CD1 4.19Å; Y895-L904 HydrophobicContact CG-CD1 4.38Å |
| 896 | S | 66.7 | Low | 72.8 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.6 | 171.1 | -73.5 | 0 | 0 | 0 | 0 | 110.9 | C902 F903 E905 | S896-C902 CarbonylContact O-C 3.56Å; S896-C902 WeakPolarHBondContact O-CA 3.4Å; S896-F903 PolarHBondContact N-O 2.87Å; S896-F903 WeakPolarHBondContact O-CD1 3.05Å; S896-F903 WeakPolarHBondContact O-CE1 3.49Å; S896-F903 PolarHBondContact O-N 3.38Å; S896-E905 VanDerWaalsContact CB-OE1 3.23Å; S896-E905 WeakPolarHBondContact CB-OE1 3.31Å; S896-E905 PolarHBondContact OG-OE1 2.68Å |
| 897 | G | 75.7 | Confident | 71.9 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -165.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | C891 G899 H901 | C891-G897 VanDerWaalsContact SG-C 3.53Å; C891-G897 VanDerWaalsContact SG-CA 3.56Å; G897-G899 VanDerWaalsContact C-N 3.34Å; G897-H901 WeakPolarHBondContact CA-O 3.26Å |
| 898 | D | 75.3 | Confident | 71.1 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -89.9 | 8.9 | -175.1 | 70.5 | 10.9 | 0 | 0 | 0 | 114.4 | V900 H901 | D898-V900 PolarHBondContact O-N 2.96Å; D898-V900 WeakPolarHBondContact OD1-CA 3.5Å; D898-V900 PolarHBondContact OD1-N 3.12Å; D898-H901 PolarHBondContact N-O 3.49Å; D898-H901 IonicContact OD1-CG 3.87Å; D898-H901 PolarHBondContact OD1-N 3.31Å; D898-H901 IonicContact OD1-ND1 3.35Å; D898-H901 PolarHBondContact OD1-ND1 3.17Å; D898-H901 IonicContact OD2-CE1 3.88Å; D898-H901 IonicContact OD2-CG 3.92Å; D898-H901 IonicContact OD2-ND1 2.94Å; D898-H901 PolarHBondContact OD2-ND1 3.42Å |
| 899 | G | 74.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 82.3 | -17.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S873 C891 G897 | S873-G899 PolarHBondContact N-O 3.09Å; C891-G899 PolarHBondContact SG-N 3.46Å; C891-G899 VanDerWaalsContact SG-N 3.35Å; G897-G899 VanDerWaalsContact C-N 3.34Å |
| 900 | V | 80.2 | Confident | 69.3 | Low | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -107.3 | -28.6 | 175 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | T864 S873 C889 D898 | T864-V900 HydrophobicContact CG2-CG2 4.38Å; T864-V900 WeakPolarHBondContact OG1-CG2 3.3Å; S873-V900 WeakPolarHBondContact CB-O 3.41Å; C889-V900 HydrophobicContact CB-CG2 4.15Å; D898-V900 PolarHBondContact O-N 2.96Å; D898-V900 WeakPolarHBondContact OD1-CA 3.5Å; D898-V900 PolarHBondContact OD1-N 3.12Å |
| 901 | H | 77 | Confident | 68.3 | Low | 128 Ų | 128 | 67.2 Ų | 67.2 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -121.1 | 95.2 | 171.9 | -51.4 | 94.4 | 0 | 0 | 0 | 108.1 | G897 D898 | G897-H901 WeakPolarHBondContact CA-O 3.26Å; D898-H901 PolarHBondContact N-O 3.49Å; D898-H901 IonicContact OD1-CG 3.87Å; D898-H901 PolarHBondContact OD1-N 3.31Å; D898-H901 IonicContact OD1-ND1 3.35Å; D898-H901 PolarHBondContact OD1-ND1 3.17Å; D898-H901 IonicContact OD2-CE1 3.88Å; D898-H901 IonicContact OD2-CG 3.92Å; D898-H901 IonicContact OD2-ND1 2.94Å; D898-H901 PolarHBondContact OD2-ND1 3.42Å |
| 902 | C | 81.1 | Confident | 67.6 | Low | 17 Ų | 17 | 70.7 Ų | 70.7 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | -177.4 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | S873 C891 S896 | S873-C902 PolarHBondContact OG-SG 2.86Å; C891-C902 WeakPolarHBondContact CA-SG 3.43Å; C891-C902 HydrophobicContact CB-CB 3.83Å; C891-C902 WeakPolarHBondContact CB-SG 3.28Å; C891-C902 WeakPolarHBondContact SG-CA 3.37Å; C891-C902 WeakPolarHBondContact SG-CB 3.28Å; C891-C902 CovalentContact SG-SG 2.04Å; C891-C902 PolarHBondContact SG-SG 2.83Å; S896-C902 CarbonylContact O-C 3.56Å; S896-C902 WeakPolarHBondContact O-CA 3.4Å |
| 903 | F | 76.2 | Confident | 67.3 | Low | 117 Ų | 117 | 76.3 Ų | 76.3 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.1 | -174.5 | 57.4 | -95.1 | 0 | 0 | 0 | 111.5 | Y895 S896 E905 | Y895-F903 CarbonylContact C-O 3.57Å; Y895-F903 VanDerWaalsContact CA-O 3.29Å; Y895-F903 WeakPolarHBondContact CA-O 3.41Å; S896-F903 PolarHBondContact N-O 2.87Å; S896-F903 WeakPolarHBondContact O-CD1 3.05Å; S896-F903 WeakPolarHBondContact O-CE1 3.49Å; S896-F903 PolarHBondContact O-N 3.38Å; F903-E905 HydrophobicContact CE2-CG 4.36Å |
| 904 | L | 55.7 | Low | 68.3 | Low | 75 Ų | 75 | 76.6 Ų | 76.6 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.9 | 178 | -141.8 | 86.3 | 0 | 0 | 0 | 110.5 | P894 Y895 | P894-L904 HydrophobicContact CB-CD1 4.02Å; P894-L904 HydrophobicContact CG-CD1 3.51Å; P894-L904 HydrophobicContact CG-CG 4.49Å; Y895-L904 HydrophobicContact CD1-CD1 4Å; Y895-L904 HydrophobicContact CD2-CD1 4.48Å; Y895-L904 HydrophobicContact CE1-CD1 3.67Å; Y895-L904 HydrophobicContact CE2-CD1 4.19Å; Y895-L904 HydrophobicContact CG-CD1 4.38Å |
| 905 | E | 56.3 | Low | 69.6 | Low | 110 Ų | 110 | 76.5 Ų | 76.5 | 51% | 0.514 | 38% | 0.384 | S | S | . | . | trans | -83.7 | 130.2 | 167.4 | -76.2 | -174.9 | -155.7 | 0 | 0 | 111 | S896 F903 E907 | S896-E905 VanDerWaalsContact CB-OE1 3.23Å; S896-E905 WeakPolarHBondContact CB-OE1 3.31Å; S896-E905 PolarHBondContact OG-OE1 2.68Å; F903-E905 HydrophobicContact CE2-CG 4.36Å; E905-E907 VanDerWaalsContact C-N 3.3Å; E905-E907 PolarHBondContact O-N 3.04Å; E905-E907 VanDerWaalsContact O-N 3.13Å | ||
| 906 | A | 51.9 | Low | 70.6 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 24.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y911 | A906-Y911 HydrophobicContact CB-CE1 4.3Å; A906-Y911 WeakPolarHBondContact O-CD1 3.45Å; A906-Y911 WeakPolarHBondContact O-CE1 3.38Å |
| 907 | E | 57.9 | Low | 71.5 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 10.9 | -177.4 | -66.1 | -165.7 | 155.5 | 0 | 0 | 114.5 | R747 E905 N912 | R747-E907 IonicContact NH2-OE2 3.23Å; R747-E907 PolarHBondContact NH2-OE2 3.08Å; E905-E907 VanDerWaalsContact C-N 3.3Å; E905-E907 PolarHBondContact O-N 3.04Å; E905-E907 VanDerWaalsContact O-N 3.13Å; E907-N912 PolarHBondContact O-ND2 2.85Å |
| 908 | T | 61.6 | Low | 72.1 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -69.3 | 157.6 | 177.6 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | E910 Y911 N912 Y932 | T908-E910 PolarHBondContact O-N 2.85Å; T908-E910 PolarHBondContact OG1-N 2.71Å; T908-Y911 PolarHBondContact O-N 2.76Å; T908-Y911 PolarHBondContact OG1-N 3.26Å; T908-N912 WeakPolarHBondContact O-CB 3.45Å; T908-N912 PolarHBondContact O-N 2.74Å; T908-N912 PolarHBondContact O-ND2 3.05Å; T908-N912 VanDerWaalsContact O-ND2 3.15Å; T908-Y932 HydrophobicContact CG2-CD2 3.43Å; T908-Y932 VanDerWaalsContact CG2-CD2 3.43Å; T908-Y932 HydrophobicContact CG2-CE2 3.91Å; T908-Y932 HydrophobicContact CG2-CG 3.8Å |
| 909 | C | 72 | Confident | 72.6 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.9 | -19.8 | 170.4 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | R913 N914 C921 | C909-R913 WeakPolarHBondContact O-CA 3.49Å; C909-R913 PolarHBondContact O-N 3.09Å; C909-N914 WeakPolarHBondContact CA-OD1 3.32Å; C909-N914 VanDerWaalsContact CB-OD1 3.32Å; C909-N914 WeakPolarHBondContact CB-OD1 3.37Å; C909-C921 VanDerWaalsContact CA-SG 3.51Å; C909-C921 HydrophobicContact CB-CB 3.89Å; C909-C921 WeakPolarHBondContact CB-SG 3.41Å; C909-C921 WeakPolarHBondContact SG-CB 3.34Å; C909-C921 CovalentContact SG-SG 2.03Å; C909-C921 PolarHBondContact SG-SG 3.44Å |
| 910 | E | 65.2 | Low | 73 | Confident | 113 Ų | 113 | 77.9 Ų | 77.9 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.5 | -38.7 | 175.6 | -173.2 | 175.1 | -154.3 | 0 | 0 | 111.1 | T908 C921 | T908-E910 PolarHBondContact O-N 2.85Å; T908-E910 PolarHBondContact OG1-N 2.71Å; E910-C921 HydrophobicContact CB-CB 4.47Å; E910-C921 PolarHBondContact N-SG 2.79Å |
| 911 | Y | 63.8 | Low | 73.2 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 58% | 0.576 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.1 | -46.1 | 171.4 | -175.6 | -97 | 0 | 0 | 0 | 111.9 | A906 T908 R913 | A906-Y911 HydrophobicContact CB-CE1 4.3Å; A906-Y911 WeakPolarHBondContact O-CD1 3.45Å; A906-Y911 WeakPolarHBondContact O-CE1 3.38Å; T908-Y911 PolarHBondContact O-N 2.76Å; T908-Y911 PolarHBondContact OG1-N 3.26Å; Y911-R913 VanDerWaalsContact C-N 3.33Å; Y911-R913 PolarHBondContact O-N 2.92Å |
| 912 | N | 67.4 | Low | 73.4 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.1 | -14.1 | -177.7 | -74.6 | -53.2 | 0 | 0 | 0 | 114.5 | E907 T908 N914 | E907-N912 PolarHBondContact O-ND2 2.85Å; T908-N912 WeakPolarHBondContact O-CB 3.45Å; T908-N912 PolarHBondContact O-N 2.74Å; T908-N912 PolarHBondContact O-ND2 3.05Å; T908-N912 VanDerWaalsContact O-ND2 3.15Å; N912-N914 HydrophobicContact CB-CB 4.34Å; N912-N914 PolarHBondContact O-N 2.94Å |
| 913 | R | 70 | Confident | 72.8 | Confident | 225 Ų | 225 | 75.8 Ų | 75.8 | 85% | 0.849 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 42.1 | -179.2 | -59.5 | -173.6 | 177.3 | -160.9 | -1.7 | 113.7 | C909 Y911 | C909-R913 WeakPolarHBondContact O-CA 3.49Å; C909-R913 PolarHBondContact O-N 3.09Å; Y911-R913 VanDerWaalsContact C-N 3.33Å; Y911-R913 PolarHBondContact O-N 2.92Å |
| 914 | N | 80.5 | Confident | 72 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | trans | -109 | 9 | -167.7 | 63.8 | -14.1 | 0 | 0 | 0 | 114.8 | C909 N912 Y945 | C909-N914 WeakPolarHBondContact CA-OD1 3.32Å; C909-N914 VanDerWaalsContact CB-OD1 3.32Å; C909-N914 WeakPolarHBondContact CB-OD1 3.37Å; N912-N914 HydrophobicContact CB-CB 4.34Å; N912-N914 PolarHBondContact O-N 2.94Å; N914-Y945 WeakPolarHBondContact O-CD1 3.48Å | ||
| 915 | C | 85.5 | Confident | 71.7 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -74 | 163.2 | 169.1 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | A919 C934 G944 | C915-A919 HydrophobicContact CB-CB 3.95Å; C915-C934 WeakPolarHBondContact CA-SG 3.26Å; C915-C934 HydrophobicContact CB-CB 3.66Å; C915-C934 WeakPolarHBondContact CB-SG 3.35Å; C915-C934 VanDerWaalsContact SG-CA 3.6Å; C915-C934 WeakPolarHBondContact SG-CB 3.39Å; C915-C934 CovalentContact SG-SG 2.04Å; C915-C934 PolarHBondContact SG-SG 2.91Å; C915-G944 WeakPolarHBondContact CA-O 3.27Å |
| 916 | H | 87.9 | Confident | 71.2 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 27% | 0.269 | 37% | 0.373 | S | S | . | . | trans | -58.8 | 159.3 | 168.1 | -151.5 | -104.6 | 0 | 0 | 0 | 111.2 | D918 A919 G944 Y945 C947 | H916-D918 IonicContact CE1-OD2 3.41Å; H916-D918 PolarHBondContact CE1-OD2 2.96Å; H916-D918 VanDerWaalsContact CE1-OD2 3.26Å; H916-D918 IonicContact ND1-OD2 2.95Å; H916-D918 PolarHBondContact ND1-OD2 3.28Å; H916-D918 PolarHBondContact O-N 3.39Å; H916-D918 VanDerWaalsContact O-N 3.1Å; H916-A919 HydrophobicContact CB-CB 3.92Å; H916-A919 PolarHBondContact O-N 2.98Å; H916-G944 PolarHBondContact N-O 3.15Å; H916-Y945 PolarHBondContact CD2-O 3.34Å; H916-C947 HydrophobicContact CB-CB 3.85Å; H916-C947 PolarHBondContact CD2-N 3.43Å; H916-C947 PolarHBondContact CE1-O 3.36Å; H916-C947 PolarHBondContact ND1-O 2.97Å | ||
| 917 | S | 86 | Confident | 70.6 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 61% | 0.608 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -32.2 | 167.9 | 34.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 918 | D | 87.2 | Confident | 69.7 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 20% | 0.203 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 35.5 | -172.2 | -41.4 | -79 | 0 | 0 | 0 | 110.5 | H916 C936 R937 F940 C947 | H916-D918 IonicContact CE1-OD2 3.41Å; H916-D918 PolarHBondContact CE1-OD2 2.96Å; H916-D918 VanDerWaalsContact CE1-OD2 3.26Å; H916-D918 IonicContact ND1-OD2 2.95Å; H916-D918 PolarHBondContact ND1-OD2 3.28Å; H916-D918 PolarHBondContact O-N 3.39Å; H916-D918 VanDerWaalsContact O-N 3.1Å; D918-C936 CarbonylContact O-C 3.49Å; D918-C936 WeakPolarHBondContact O-CA 3.36Å; D918-R937 PolarHBondContact O-N 3.36Å; D918-F940 HydrophobicContact CB-CB 4.28Å; D918-F940 HydrophobicContact CB-CD1 3.38Å; D918-F940 HydrophobicContact CB-CD2 3.8Å; D918-F940 HydrophobicContact CB-CE1 3.49Å; D918-F940 VanDerWaalsContact CB-CE1 3.49Å; D918-F940 HydrophobicContact CB-CE2 3.91Å; D918-F940 HydrophobicContact CB-CG 3.55Å; D918-F940 HydrophobicContact CB-CZ 3.76Å; D918-F940 WeakPolarHBondContact OD1-CE1 3.38Å; D918-F940 VanDerWaalsContact OD1-CZ 3.26Å; D918-F940 WeakPolarHBondContact OD1-CZ 3.41Å; D918-C947 HydrophobicContact CB-CB 4.37Å |
| 919 | A | 86.8 | Confident | 68.9 | Low | 9 Ų | 9 | 84.9 Ų | 84.9 | 7% | 0.074 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C915 H916 R935 G944 | C915-A919 HydrophobicContact CB-CB 3.95Å; H916-A919 HydrophobicContact CB-CB 3.92Å; H916-A919 PolarHBondContact O-N 2.98Å; A919-R935 CarbonylContact C-O 3.59Å; A919-R935 WeakPolarHBondContact CA-O 3.33Å; A919-R935 WeakPolarHBondContact CB-O 3.3Å; A919-G944 WeakPolarHBondContact CB-O 3.37Å |
| 920 | D | 83.8 | Confident | 67.8 | Low | 52 Ų | 52 | 86 Ų | 86 | 28% | 0.278 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.9 | 172.5 | -58.1 | -53.6 | 0 | 0 | 0 | 110 | V922 C934 R935 R937 | D920-V922 HydrophobicContact CB-CG1 4.08Å; D920-C934 WeakPolarHBondContact O-CA 3.33Å; D920-R935 PolarHBondContact N-O 3.32Å; D920-R935 PolarHBondContact O-N 3.21Å; D920-R937 IonicContact OD1-CZ 3.37Å; D920-R937 VanDerWaalsContact OD1-CZ 3.23Å; D920-R937 IonicContact OD1-NE 3.78Å; D920-R937 PolarHBondContact OD1-NE 2.88Å; D920-R937 IonicContact OD1-NH2 2.71Å; D920-R937 PolarHBondContact OD1-NH2 2.86Å; D920-R937 WeakPolarHBondContact OD2-CG 3.44Å; D920-R937 IonicContact OD2-NE 2.84Å; D920-R937 PolarHBondContact OD2-NE 2.89Å |
| 921 | C | 84 | Confident | 67.7 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.2 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | C909 E910 R933 | C909-C921 VanDerWaalsContact CA-SG 3.51Å; C909-C921 HydrophobicContact CB-CB 3.89Å; C909-C921 WeakPolarHBondContact CB-SG 3.41Å; C909-C921 WeakPolarHBondContact SG-CB 3.34Å; C909-C921 CovalentContact SG-SG 2.03Å; C909-C921 PolarHBondContact SG-SG 3.44Å; E910-C921 HydrophobicContact CB-CB 4.47Å; E910-C921 PolarHBondContact N-SG 2.79Å; C921-R933 CarbonylContact C-O 3.55Å; C921-R933 WeakPolarHBondContact CA-O 3.33Å |
| 922 | V | 80.5 | Confident | 67.9 | Low | 24 Ų | 24 | 78.4 Ų | 78.4 | 15% | 0.145 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.3 | -172.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | D920 Y932 R933 R935 | D920-V922 HydrophobicContact CB-CG1 4.08Å; V922-Y932 WeakPolarHBondContact O-CA 3.46Å; V922-R933 HydrophobicContact CG2-CG 3.89Å; V922-R933 PolarHBondContact N-O 3.48Å; V922-R933 PolarHBondContact O-N 3.49Å; V922-R935 HydrophobicContact CG2-CB 3.73Å |
| 923 | Y | 69.2 | Low | 68.4 | Low | 86 Ų | 86 | 80.2 Ų | 80.2 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 110.6 | 175.5 | -175.1 | -108.4 | 0 | 0 | 0 | 109.9 | P893 Q925 G930 G931 Y932 | P893-Y923 HydrophobicContact CB-CD1 4.48Å; P893-Y923 HydrophobicContact CB-CE1 3.96Å; P893-Y923 HydrophobicContact CB-CE2 4.49Å; P893-Y923 HydrophobicContact CG-CE1 4.14Å; Y923-Q925 HydrophobicContact CD1-CG 4.13Å; Y923-Q925 HydrophobicContact CE1-CG 3.56Å; Y923-G930 VanDerWaalsContact CE2-O 3.31Å; Y923-G930 WeakPolarHBondContact CE2-O 3.13Å; Y923-G931 WeakPolarHBondContact CA-O 3.4Å; Y923-Y932 AromaticContact CD2-CD2 3.67Å; Y923-Y932 HydrophobicContact CD2-CD2 3.67Å; Y923-Y932 AromaticContact CD2-CE2 3.43Å; Y923-Y932 HydrophobicContact CD2-CE2 3.43Å; Y923-Y932 VanDerWaalsContact CD2-CE2 3.43Å; Y923-Y932 HydrophobicContact CD2-CG 4.3Å; Y923-Y932 AromaticContact CD2-CZ 3.91Å; Y923-Y932 HydrophobicContact CE2-CD2 4.33Å; Y923-Y932 HydrophobicContact CE2-CE2 4.07Å; Y923-Y932 HydrophobicContact CG-CE2 4.2Å |
| 924 | E | 60 | Low | 69.2 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.5 | 172 | -76.7 | 179.3 | 177.1 | 0 | 0 | 109.5 | G930 G931 R933 | E924-G930 CarbonylContact O-C 3.51Å; E924-G930 WeakPolarHBondContact O-CA 3.45Å; E924-G931 PolarHBondContact N-O 3.43Å; E924-G931 PolarHBondContact O-N 2.85Å; E924-R933 VanDerWaalsContact CD-NH1 3.32Å; E924-R933 IonicContact OE1-CZ 3.31Å; E924-R933 IonicContact OE1-NH1 3.3Å; E924-R933 PolarHBondContact OE1-NH1 3.01Å; E924-R933 VanDerWaalsContact OE1-NH1 3.12Å; E924-R933 WeakPolarHBondContact OE2-CD 3.18Å; E924-R933 IonicContact OE2-CZ 3.62Å; E924-R933 IonicContact OE2-NE 3.72Å; E924-R933 IonicContact OE2-NH1 2.68Å; E924-R933 PolarHBondContact OE2-NH1 3.02Å |
| 925 | Q | 49 | Very low | 69.4 | Low | 149 Ų | 149 | 72.4 Ų | 72.4 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.2 | 170.8 | -75.8 | -171.3 | -34.9 | 0 | 0 | 111 | Y923 | Y923-Q925 HydrophobicContact CD1-CG 4.13Å; Y923-Q925 HydrophobicContact CE1-CG 3.56Å |
| 926 | H | 44.9 | Very low | 69.4 | Low | 90 Ų | 90 | 72 Ų | 72 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 166.5 | 166.5 | -55.6 | -34.1 | 0 | 0 | 0 | 109.4 | R719 E928 G929 | R719-H926 PolarHBondContact NH1-CD2 2.04Å; R719-H926 PolarHBondContact NH1-NE2 3.49Å; H926-E928 PolarHBondContact O-N 2.84Å; H926-G929 CarbonylContact C-O 3.59Å; H926-G929 PolarHBondContact N-O 2.79Å; H926-G929 CarbonylContact O-C 3.52Å; H926-G929 PolarHBondContact O-N 2.84Å; H926-G929 VanDerWaalsContact O-O 3.1Å |
| 927 | E | 40.5 | Very low | 69.2 | Low | 205 Ų | 205 | 74.6 Ų | 74.6 | 96% | 0.958 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.1 | -171.4 | -57.7 | -161.8 | 129.8 | 0 | 0 | 114.1 | ||
| 928 | E | 38.2 | Very low | 68.4 | Low | 168 Ų | 168 | 74.6 Ų | 74.6 | 79% | 0.785 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.2 | 177.3 | -58.2 | -171.4 | 135.1 | 0 | 0 | 113.5 | Y746 H926 | Y746-E928 WeakPolarHBondContact CE2-OE2 3.35Å; H926-E928 PolarHBondContact O-N 2.84Å |
| 929 | G | 44.8 | Very low | 67 | Low | 46 Ų | 46 | 74.6 Ų | 74.6 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | 162.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H926 | H926-G929 CarbonylContact C-O 3.59Å; H926-G929 PolarHBondContact N-O 2.79Å; H926-G929 CarbonylContact O-C 3.52Å; H926-G929 PolarHBondContact O-N 2.84Å; H926-G929 VanDerWaalsContact O-O 3.1Å |
| 930 | G | 49.4 | Very low | 66.5 | Low | 30 Ų | 30 | 77 Ų | 77 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y923 E924 | Y923-G930 VanDerWaalsContact CE2-O 3.31Å; Y923-G930 WeakPolarHBondContact CE2-O 3.13Å; E924-G930 CarbonylContact O-C 3.51Å; E924-G930 WeakPolarHBondContact O-CA 3.45Å |
| 931 | G | 61.7 | Low | 66.2 | Low | 40 Ų | 40 | 78.4 Ų | 78.4 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 154.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y923 E924 | Y923-G931 WeakPolarHBondContact CA-O 3.4Å; E924-G931 PolarHBondContact N-O 3.43Å; E924-G931 PolarHBondContact O-N 2.85Å |
| 932 | Y | 68 | Low | 65.9 | Low | 60 Ų | 60 | 79 Ų | 79 | 24% | 0.235 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.5 | 177.8 | -80 | -88.5 | 0 | 0 | 0 | 111.6 | P894 T908 V922 Y923 | P894-Y932 HydrophobicContact CB-CE2 3.75Å; P894-Y932 WeakPolarHBondContact CB-OH 3.47Å; P894-Y932 WeakPolarHBondContact CD-OH 3.44Å; T908-Y932 HydrophobicContact CG2-CD2 3.43Å; T908-Y932 VanDerWaalsContact CG2-CD2 3.43Å; T908-Y932 HydrophobicContact CG2-CE2 3.91Å; T908-Y932 HydrophobicContact CG2-CG 3.8Å; V922-Y932 WeakPolarHBondContact O-CA 3.46Å; Y923-Y932 AromaticContact CD2-CD2 3.67Å; Y923-Y932 HydrophobicContact CD2-CD2 3.67Å; Y923-Y932 AromaticContact CD2-CE2 3.43Å; Y923-Y932 HydrophobicContact CD2-CE2 3.43Å; Y923-Y932 VanDerWaalsContact CD2-CE2 3.43Å; Y923-Y932 HydrophobicContact CD2-CG 4.3Å; Y923-Y932 AromaticContact CD2-CZ 3.91Å; Y923-Y932 HydrophobicContact CE2-CD2 4.33Å; Y923-Y932 HydrophobicContact CE2-CE2 4.07Å; Y923-Y932 HydrophobicContact CG-CE2 4.2Å |
| 933 | R | 78.8 | Confident | 65.7 | Low | 121 Ų | 121 | 82.5 Ų | 82.5 | 46% | 0.457 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.8 | 176.1 | 66.6 | 179.2 | -67.7 | -168.5 | -3.3 | 111.1 | C921 V922 E924 | C921-R933 CarbonylContact C-O 3.55Å; C921-R933 WeakPolarHBondContact CA-O 3.33Å; V922-R933 HydrophobicContact CG2-CG 3.89Å; V922-R933 PolarHBondContact N-O 3.48Å; V922-R933 PolarHBondContact O-N 3.49Å; E924-R933 VanDerWaalsContact CD-NH1 3.32Å; E924-R933 IonicContact OE1-CZ 3.31Å; E924-R933 IonicContact OE1-NH1 3.3Å; E924-R933 PolarHBondContact OE1-NH1 3.01Å; E924-R933 VanDerWaalsContact OE1-NH1 3.12Å; E924-R933 WeakPolarHBondContact OE2-CD 3.18Å; E924-R933 IonicContact OE2-CZ 3.62Å; E924-R933 IonicContact OE2-NE 3.72Å; E924-R933 IonicContact OE2-NH1 2.68Å; E924-R933 PolarHBondContact OE2-NH1 3.02Å |
| 934 | C | 86 | Confident | 66.2 | Low | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 140.7 | 167.6 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | C915 D920 G944 Y945 | C915-C934 WeakPolarHBondContact CA-SG 3.26Å; C915-C934 HydrophobicContact CB-CB 3.66Å; C915-C934 WeakPolarHBondContact CB-SG 3.35Å; C915-C934 VanDerWaalsContact SG-CA 3.6Å; C915-C934 WeakPolarHBondContact SG-CB 3.39Å; C915-C934 CovalentContact SG-SG 2.04Å; C915-C934 PolarHBondContact SG-SG 2.91Å; D920-C934 WeakPolarHBondContact O-CA 3.33Å; C934-G944 VanDerWaalsContact CB-O 3.23Å; C934-G944 WeakPolarHBondContact CB-O 3.44Å; C934-Y945 HydrophobicContact CB-CD2 4.43Å; C934-Y945 HydrophobicContact CB-CE1 4.44Å; C934-Y945 HydrophobicContact CB-CE2 4.1Å |
| 935 | R | 85.5 | Confident | 67.4 | Low | 131 Ų | 131 | 81.3 Ų | 81.3 | 49% | 0.494 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.9 | 177.5 | -179 | -178.5 | 71.9 | -178 | 3.8 | 108.8 | A919 D920 V922 | A919-R935 CarbonylContact C-O 3.59Å; A919-R935 WeakPolarHBondContact CA-O 3.33Å; A919-R935 WeakPolarHBondContact CB-O 3.3Å; D920-R935 PolarHBondContact N-O 3.32Å; D920-R935 PolarHBondContact O-N 3.21Å; V922-R935 HydrophobicContact CG2-CB 3.73Å |
| 936 | C | 86.2 | Confident | 68.9 | Low | 21 Ų | 21 | 77.2 Ų | 77.2 | 14% | 0.142 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 146.4 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | D918 F940 G942 G944 C947 | D918-C936 CarbonylContact O-C 3.49Å; D918-C936 WeakPolarHBondContact O-CA 3.36Å; C936-F940 HydrophobicContact CB-CB 4.16Å; C936-G942 VanDerWaalsContact SG-C 3.5Å; C936-G944 PolarHBondContact SG-N 2.98Å; C936-C947 WeakPolarHBondContact CA-SG 3.35Å; C936-C947 HydrophobicContact CB-CB 3.84Å; C936-C947 WeakPolarHBondContact CB-SG 3.36Å; C936-C947 WeakPolarHBondContact SG-CB 3.19Å; C936-C947 CovalentContact SG-SG 2.04Å; C936-C947 PolarHBondContact SG-SG 3.32Å |
| 937 | R | 82.1 | Confident | 70.8 | Confident | 113 Ų | 113 | 73 Ų | 73 | 43% | 0.426 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 158 | 177.6 | -78 | 179 | 172.2 | 179.6 | -3.6 | 111.8 | D918 D920 G939 F940 | D918-R937 PolarHBondContact O-N 3.36Å; D920-R937 IonicContact OD1-CZ 3.37Å; D920-R937 VanDerWaalsContact OD1-CZ 3.23Å; D920-R937 IonicContact OD1-NE 3.78Å; D920-R937 PolarHBondContact OD1-NE 2.88Å; D920-R937 IonicContact OD1-NH2 2.71Å; D920-R937 PolarHBondContact OD1-NH2 2.86Å; D920-R937 WeakPolarHBondContact OD2-CG 3.44Å; D920-R937 IonicContact OD2-NE 2.84Å; D920-R937 PolarHBondContact OD2-NE 2.89Å; R937-G939 PolarHBondContact O-N 2.86Å; R937-F940 HydrophobicContact CB-CD2 4.34Å; R937-F940 PolarHBondContact O-N 3.31Å |
| 938 | P | 70.1 | Confident | 72.4 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 135.7 | 165.4 | -25.2 | 35 | 0 | 0 | 0 | 110.6 | ||
| 939 | G | 57.1 | Low | 73 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -4.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | R937 L950 | R937-G939 PolarHBondContact O-N 2.86Å; G939-L950 WeakPolarHBondContact O-CB 3.47Å; G939-L950 PolarHBondContact O-N 2.87Å |
| 940 | F | 78 | Confident | 73.4 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 26% | 0.263 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.3 | 179.1 | -64.9 | -103 | 0 | 0 | 0 | 112.9 | D918 C936 R937 C947 R948 P949 | D918-F940 HydrophobicContact CB-CB 4.28Å; D918-F940 HydrophobicContact CB-CD1 3.38Å; D918-F940 HydrophobicContact CB-CD2 3.8Å; D918-F940 HydrophobicContact CB-CE1 3.49Å; D918-F940 VanDerWaalsContact CB-CE1 3.49Å; D918-F940 HydrophobicContact CB-CE2 3.91Å; D918-F940 HydrophobicContact CB-CG 3.55Å; D918-F940 HydrophobicContact CB-CZ 3.76Å; D918-F940 WeakPolarHBondContact OD1-CE1 3.38Å; D918-F940 VanDerWaalsContact OD1-CZ 3.26Å; D918-F940 WeakPolarHBondContact OD1-CZ 3.41Å; C936-F940 HydrophobicContact CB-CB 4.16Å; R937-F940 HydrophobicContact CB-CD2 4.34Å; R937-F940 PolarHBondContact O-N 3.31Å; F940-C947 HydrophobicContact CB-CB 4.24Å; F940-R948 CarbonylContact C-O 3.54Å; F940-R948 VanDerWaalsContact CA-O 3.25Å; F940-R948 WeakPolarHBondContact CA-O 3.25Å; F940-P949 HydrophobicContact CD1-CG 4.29Å; F940-P949 HydrophobicContact CE1-CB 4.35Å; F940-P949 HydrophobicContact CE1-CG 3.84Å |
| 941 | T | 75.8 | Confident | 73 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.7 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | R948 L950 | T941-R948 PolarHBondContact N-O 2.91Å; T941-R948 PolarHBondContact O-N 2.65Å; T941-L950 HydrophobicContact CG2-CD2 4.13Å; T941-L950 HydrophobicContact CG2-CG 4.37Å |
| 942 | G | 79.1 | Confident | 71.7 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | -156.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C936 D946 | C936-G942 VanDerWaalsContact SG-C 3.5Å; G942-D946 CarbonylContact C-O 3.57Å; G942-D946 VanDerWaalsContact CA-O 3.27Å; G942-D946 WeakPolarHBondContact CA-O 3.38Å |
| 943 | N | 76.2 | Confident | 70.2 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -108 | 8.5 | -172.5 | 70.7 | 8.4 | 0 | 0 | 0 | 114.4 | Y945 D946 | N943-Y945 VanDerWaalsContact C-N 3.27Å; N943-Y945 PolarHBondContact O-N 2.82Å; N943-Y945 WeakPolarHBondContact OD1-CA 3.25Å; N943-Y945 WeakPolarHBondContact OD1-CB 3.46Å; N943-Y945 PolarHBondContact OD1-N 3.25Å; N943-D946 PolarHBondContact N-O 2.79Å; N943-D946 PolarHBondContact OD1-N 2.7Å; N943-D946 PolarHBondContact OD1-O 2.92Å |
| 944 | G | 79.1 | Confident | 68 | Low | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 86.7 | -20.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C915 H916 A919 C934 C936 C947 | C915-G944 WeakPolarHBondContact CA-O 3.27Å; H916-G944 PolarHBondContact N-O 3.15Å; A919-G944 WeakPolarHBondContact CB-O 3.37Å; C934-G944 VanDerWaalsContact CB-O 3.23Å; C934-G944 WeakPolarHBondContact CB-O 3.44Å; C936-G944 PolarHBondContact SG-N 2.98Å; G944-C947 WeakPolarHBondContact CA-SG 3.48Å |
| 945 | Y | 84.4 | Confident | 65.6 | Low | 117 Ų | 117 | 92.2 Ų | 92.2 | 46% | 0.459 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -104.7 | -26.9 | 176.4 | -61.9 | -85.8 | 0 | 0 | 0 | 112.2 | N914 H916 C934 N943 | N914-Y945 WeakPolarHBondContact O-CD1 3.48Å; H916-Y945 PolarHBondContact CD2-O 3.34Å; C934-Y945 HydrophobicContact CB-CD2 4.43Å; C934-Y945 HydrophobicContact CB-CE1 4.44Å; C934-Y945 HydrophobicContact CB-CE2 4.1Å; N943-Y945 VanDerWaalsContact C-N 3.27Å; N943-Y945 PolarHBondContact O-N 2.82Å; N943-Y945 WeakPolarHBondContact OD1-CA 3.25Å; N943-Y945 WeakPolarHBondContact OD1-CB 3.46Å; N943-Y945 PolarHBondContact OD1-N 3.25Å |
| 946 | D | 80.6 | Confident | 63.7 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 34% | 0.337 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -128.6 | 113.8 | 169.3 | 165.7 | 4 | 0 | 0 | 0 | 104.7 | G942 N943 R948 | G942-D946 CarbonylContact C-O 3.57Å; G942-D946 VanDerWaalsContact CA-O 3.27Å; G942-D946 WeakPolarHBondContact CA-O 3.38Å; N943-D946 PolarHBondContact N-O 2.79Å; N943-D946 PolarHBondContact OD1-N 2.7Å; N943-D946 PolarHBondContact OD1-O 2.92Å; D946-R948 WeakPolarHBondContact OD1-CG 3.48Å; D946-R948 IonicContact OD1-CZ 3.61Å; D946-R948 IonicContact OD1-NE 3.6Å; D946-R948 PolarHBondContact OD1-NE 2.88Å; D946-R948 IonicContact OD1-NH2 2.73Å; D946-R948 IonicContact OD2-CZ 2.69Å; D946-R948 IonicContact OD2-NE 3.92Å; D946-R948 PolarHBondContact OD2-NE 3.46Å; D946-R948 IonicContact OD2-NH2 2.98Å; D946-R948 PolarHBondContact OD2-NH2 2.92Å |
| 947 | C | 84.9 | Confident | 62.1 | Low | 2 Ų | 2 | 94.8 Ų | 94.8 | 1% | 0.014 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | -179.4 | -67.1 | 0 | 0 | 0 | 0 | 108.8 | H916 D918 C936 F940 G944 | H916-C947 HydrophobicContact CB-CB 3.85Å; H916-C947 PolarHBondContact CD2-N 3.43Å; H916-C947 PolarHBondContact CE1-O 3.36Å; H916-C947 PolarHBondContact ND1-O 2.97Å; D918-C947 HydrophobicContact CB-CB 4.37Å; C936-C947 WeakPolarHBondContact CA-SG 3.35Å; C936-C947 HydrophobicContact CB-CB 3.84Å; C936-C947 WeakPolarHBondContact CB-SG 3.36Å; C936-C947 WeakPolarHBondContact SG-CB 3.19Å; C936-C947 CovalentContact SG-SG 2.04Å; C936-C947 PolarHBondContact SG-SG 3.32Å; F940-C947 HydrophobicContact CB-CB 4.24Å; G944-C947 WeakPolarHBondContact CA-SG 3.48Å |
| 948 | R | 74.4 | Confident | 61.1 | Low | 148 Ų | 148 | 91 Ų | 91 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.9 | -168.2 | -52.5 | 179.1 | -167.1 | 167.9 | 3.2 | 109.1 | F940 T941 D946 | F940-R948 CarbonylContact C-O 3.54Å; F940-R948 VanDerWaalsContact CA-O 3.25Å; F940-R948 WeakPolarHBondContact CA-O 3.25Å; T941-R948 PolarHBondContact N-O 2.91Å; T941-R948 PolarHBondContact O-N 2.65Å; D946-R948 WeakPolarHBondContact OD1-CG 3.48Å; D946-R948 IonicContact OD1-CZ 3.61Å; D946-R948 IonicContact OD1-NE 3.6Å; D946-R948 PolarHBondContact OD1-NE 2.88Å; D946-R948 IonicContact OD1-NH2 2.73Å; D946-R948 IonicContact OD2-CZ 2.69Å; D946-R948 IonicContact OD2-NE 3.92Å; D946-R948 PolarHBondContact OD2-NE 3.46Å; D946-R948 IonicContact OD2-NH2 2.98Å; D946-R948 PolarHBondContact OD2-NH2 2.92Å |
| 949 | P | 51.4 | Low | 61.1 | Low | 71 Ų | 71 | 87 Ų | 87 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 143.1 | 175.1 | -26.2 | 33.6 | 0 | 0 | 0 | 111.6 | F940 D951 | F940-P949 HydrophobicContact CD1-CG 4.29Å; F940-P949 HydrophobicContact CE1-CB 4.35Å; F940-P949 HydrophobicContact CE1-CG 3.84Å; P949-D951 PolarHBondContact O-N 3.25Å |
| 950 | L | 52.6 | Low | 61.6 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | trans | -75.1 | 60.9 | 167.9 | -83.9 | 161.3 | 0 | 0 | 0 | 110.5 | G939 T941 R952 I953 | G939-L950 WeakPolarHBondContact O-CB 3.47Å; G939-L950 PolarHBondContact O-N 2.87Å; T941-L950 HydrophobicContact CG2-CD2 4.13Å; T941-L950 HydrophobicContact CG2-CG 4.37Å; L950-R952 PolarHBondContact O-N 2.81Å; L950-I953 HydrophobicContact CD2-CD1 3.94Å; L950-I953 HydrophobicContact CD2-CG1 4.26Å; L950-I953 PolarHBondContact O-N 2.95Å | ||
| 951 | D | 40.6 | Very low | 60.6 | Low | 140 Ų | 140 | 90.4 Ų | 90.4 | 75% | 0.749 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 109 | 175.6 | -90.9 | -35.5 | 0 | 0 | 0 | 109.9 | P949 | P949-D951 PolarHBondContact O-N 3.25Š|
| 952 | R | 35.7 | Very low | 59.6 | Low | 245 Ų | 245 | 87.4 Ų | 87.4 | 93% | 0.925 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 32.2 | -177.2 | -49.2 | 178.5 | 169.1 | -151.5 | -6 | 117.3 | L950 | L950-R952 PolarHBondContact O-N 2.81Š|
| 953 | I | 36.3 | Very low | 58.6 | Low | 111 Ų | 111 | 89.3 Ų | 89.3 | 57% | 0.569 | 43% | 0.434 | S | S | * | . | trans | -127.1 | 58.2 | 159.1 | -37.1 | -171.3 | 0 | 0 | 0 | 111.4 | L950 | L950-I953 HydrophobicContact CD2-CD1 3.94Å; L950-I953 HydrophobicContact CD2-CG1 4.26Å; L950-I953 PolarHBondContact O-N 2.95Å | ||
| 954 | I | 32.3 | Very low | 58 | Low | 162 Ų | 162 | 86.7 Ų | 86.7 | 83% | 0.831 | 42% | 0.421 | S | S | * | . | trans | -115.3 | 39.8 | 164.2 | -39.9 | -178 | 0 | 0 | 0 | 109.8 | ||||
| 955 | E | 35.1 | Very low | 57.9 | Low | 135 Ų | 135 | 87.5 Ų | 87.5 | 63% | 0.631 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -121.7 | 155.9 | 148.7 | -64.3 | -178.2 | -163.2 | 0 | 0 | 105.3 | K979 | E955-K979 IonicContact OE2-NZ 2.71Å; E955-K979 PolarHBondContact OE2-NZ 2.87Å |
| 956 | E | 45.2 | Very low | 57.5 | Low | 116 Ų | 116 | 83.5 Ų | 83.5 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | trans | 76.1 | 34.2 | 170.4 | -43.7 | -171.6 | -172.7 | 0 | 0 | 119 | Q958 K979 | E956-Q958 HydrophobicContact CB-CG 4.21Å; E956-Q958 PolarHBondContact O-N 3.19Å; E956-K979 HydrophobicContact CG-CD 3.76Å; E956-K979 VanDerWaalsContact CG-CE 3.49Å; E956-K979 HydrophobicContact CG-CG 3.91Å; E956-K979 WeakPolarHBondContact OE1-CE 3.36Å; E956-K979 IonicContact OE1-NZ 3.84Å | ||
| 957 | I | 52.5 | Low | 56.9 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | trans | -90.9 | 89.9 | 137.7 | -47.2 | -163.5 | 0 | 0 | 0 | 108.2 | V961 L962 | I957-V961 HydrophobicContact CG2-CB 3.95Å; I957-V961 HydrophobicContact CG2-CG1 4.04Å; I957-L962 HydrophobicContact CB-CD1 4.4Å; I957-L962 HydrophobicContact CG2-CD1 3.42Å; I957-L962 VanDerWaalsContact CG2-CD1 3.42Å; I957-L962 HydrophobicContact CG2-CG 3.66Å | ||
| 958 | Q | 61.8 | Low | 56.4 | Low | 34 Ų | 34 | 90.3 Ų | 90.3 | 16% | 0.159 | 44% | 0.439 | C | S | . | . | trans | -71.6 | 151.2 | -174.1 | -55.9 | -173.7 | 12.7 | 0 | 0 | 111.1 | E956 N960 V961 N978 K979 H980 | E956-Q958 HydrophobicContact CB-CG 4.21Å; E956-Q958 PolarHBondContact O-N 3.19Å; Q958-N960 WeakPolarHBondContact CB-OD1 3.48Å; Q958-N960 PolarHBondContact O-N 3.45Å; Q958-N960 PolarHBondContact O-OD1 2.93Å; Q958-V961 WeakPolarHBondContact O-CB 3.28Å; Q958-V961 PolarHBondContact O-N 3.07Å; Q958-N978 PolarHBondContact NE2-O 2.85Å; Q958-K979 VanDerWaalsContact CD-CA 3.47Å; Q958-K979 HydrophobicContact CG-CB 4.09Å; Q958-K979 HydrophobicContact CG-CG 4.48Å; Q958-H980 HydrophobicContact CB-CB 3.99Å; Q958-H980 PolarHBondContact OE1-ND1 2.93Å | ||
| 959 | C | 71.1 | Confident | 56.6 | Low | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.014 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -14.4 | -174.2 | 68.3 | 0 | 0 | 0 | 0 | 115.1 | V961 N963 C965 C971 H980 E981 | C959-V961 PolarHBondContact O-N 2.69Å; C959-N963 WeakPolarHBondContact O-CA 3.38Å; C959-N963 PolarHBondContact O-N 3.31Å; C959-C965 VanDerWaalsContact SG-SG 3.69Å; C959-C971 HydrophobicContact CB-CB 4Å; C959-C971 WeakPolarHBondContact CB-SG 3.27Å; C959-C971 PolarHBondContact O-SG 2.87Å; C959-C971 WeakPolarHBondContact SG-CA 3.23Å; C959-C971 WeakPolarHBondContact SG-CB 3.03Å; C959-C971 CovalentContact SG-SG 2.04Å; C959-C971 PolarHBondContact SG-SG 3.38Å; C959-H980 HydrophobicContact CB-CB 4.42Å; C959-H980 PolarHBondContact N-O 3.23Å; C959-H980 WeakPolarHBondContact SG-CB 3.28Å; C959-E981 PolarHBondContact SG-N 3.47Å; C959-E981 VanDerWaalsContact SG-N 3.4Å; C959-E981 PolarHBondContact SG-O 2.98Å; C959-E981 VanDerWaalsContact SG-O 3.41Å |
| 960 | N | 66.3 | Low | 57.8 | Low | 91 Ų | 91 | 81.2 Ų | 81.2 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.5 | -18.7 | 170.6 | 65 | -35 | 0 | 0 | 0 | 113.7 | Q958 C971 H980 | Q958-N960 WeakPolarHBondContact CB-OD1 3.48Å; Q958-N960 PolarHBondContact O-N 3.45Å; Q958-N960 PolarHBondContact O-OD1 2.93Å; N960-C971 PolarHBondContact N-SG 3.25Å; N960-H980 HydrophobicContact CB-CB 4.2Å; N960-H980 PolarHBondContact ND2-CE1 2.85Å; N960-H980 PolarHBondContact ND2-ND1 2.83Å; N960-H980 PolarHBondContact OD1-ND1 2.78Å; N960-H980 VanDerWaalsContact OD1-ND1 3.15Å |
| 961 | V | 57.1 | Low | 59.1 | Low | 79 Ų | 79 | 79.7 Ų | 79.7 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -84.7 | -36.6 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | I957 Q958 C959 | I957-V961 HydrophobicContact CG2-CB 3.95Å; I957-V961 HydrophobicContact CG2-CG1 4.04Å; Q958-V961 WeakPolarHBondContact O-CB 3.28Å; Q958-V961 PolarHBondContact O-N 3.07Å; C959-V961 PolarHBondContact O-N 2.69Å |
| 962 | L | 54.6 | Low | 60.6 | Low | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -129.4 | -1.8 | -168.7 | -60.1 | -176.9 | 0 | 0 | 0 | 116.1 | G598 Q599 I957 T964 | G598-L962 WeakPolarHBondContact O-CD2 3.26Å; Q599-L962 HydrophobicContact CB-CD1 4.14Å; Q599-L962 HydrophobicContact CG-CD1 3.71Å; I957-L962 HydrophobicContact CB-CD1 4.4Å; I957-L962 HydrophobicContact CG2-CD1 3.42Å; I957-L962 VanDerWaalsContact CG2-CD1 3.42Å; I957-L962 HydrophobicContact CG2-CG 3.66Å; L962-T964 HydrophobicContact CB-CG2 3.83Å; L962-T964 PolarHBondContact O-N 3.06Å |
| 963 | N | 59.1 | Low | 62.4 | Low | 91 Ų | 91 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | 53 | 43 | 175.7 | -160.3 | 25.5 | 0 | 0 | 0 | 115.7 | C959 C965 | C959-N963 WeakPolarHBondContact O-CA 3.38Å; C959-N963 PolarHBondContact O-N 3.31Å; N963-C965 PolarHBondContact O-N 3.39Å; N963-C965 VanDerWaalsContact O-N 3.07Å | ||
| 964 | T | 62.3 | Low | 63.8 | Low | 43 Ų | 43 | 60.2 Ų | 60.2 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | trans | -78.2 | 18.5 | -167.9 | 50.9 | 0 | 0 | 0 | 0 | 116.1 | L962 Y993 | L962-T964 HydrophobicContact CB-CG2 3.83Å; L962-T964 PolarHBondContact O-N 3.06Å; T964-Y993 WeakPolarHBondContact O-CD1 3.35Å; T964-Y993 WeakPolarHBondContact O-CE1 3.15Å | ||
| 965 | C | 77.5 | Confident | 64.9 | Low | 17 Ų | 17 | 53.4 Ų | 53.4 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -93.8 | 161.9 | -171.2 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | C959 N963 A969 C971 C982 | C959-C965 VanDerWaalsContact SG-SG 3.69Å; N963-C965 PolarHBondContact O-N 3.39Å; N963-C965 VanDerWaalsContact O-N 3.07Å; C965-A969 HydrophobicContact CB-CB 4.35Å; C965-C971 WeakPolarHBondContact SG-CA 3.42Å; C965-C971 VanDerWaalsContact SG-CB 3.52Å; C965-C982 WeakPolarHBondContact CA-SG 3.19Å; C965-C982 HydrophobicContact CB-CB 3.61Å; C965-C982 WeakPolarHBondContact CB-SG 3.27Å; C965-C982 VanDerWaalsContact SG-CA 3.53Å; C965-C982 WeakPolarHBondContact SG-CB 3.34Å; C965-C982 CovalentContact SG-SG 2.03Å; C965-C982 PolarHBondContact SG-SG 3.01Å |
| 966 | N | 75.7 | Confident | 65.8 | Low | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | trans | -58.5 | 149.3 | 172.2 | -161.9 | -91.3 | 0 | 0 | 0 | 111.2 | R968 A969 G992 Y993 E994 | N966-R968 PolarHBondContact O-N 3.03Å; N966-R968 VanDerWaalsContact O-N 3.14Å; N966-R968 WeakPolarHBondContact OD1-CB 3.45Å; N966-R968 PolarHBondContact OD1-N 2.84Å; N966-A969 HydrophobicContact CB-CB 3.64Å; N966-A969 CarbonylContact O-C 3.53Å; N966-A969 WeakPolarHBondContact O-CA 3.47Å; N966-A969 WeakPolarHBondContact O-CB 3.02Å; N966-A969 PolarHBondContact O-N 3.05Å; N966-A969 VanDerWaalsContact O-O 3.04Å; N966-G992 WeakPolarHBondContact CB-O 3.45Å; N966-G992 PolarHBondContact N-O 2.93Å; N966-Y993 WeakPolarHBondContact CB-O 3.35Å; N966-Y993 PolarHBondContact ND2-O 2.62Å; N966-E994 WeakPolarHBondContact ND2-CA 3.34Å | ||
| 967 | Q | 68.9 | Low | 66.7 | Low | 110 Ų | 110 | 47 Ų | 47 | 51% | 0.514 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.3 | 174.7 | -57.5 | 150.5 | 48.7 | 0 | 0 | 113.1 | V636 M985 | V636-Q967 VanDerWaalsContact CG1-NE2 3.25Å; V636-Q967 HydrophobicContact CG2-CG 3.59Å; Q967-M985 WeakPolarHBondContact O-CE 3.25Å |
| 968 | R | 74.8 | Confident | 67.1 | Low | 99 Ų | 99 | 48 Ų | 48 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 29.1 | 174.4 | -59 | 155.7 | 173.4 | -179.7 | 4.5 | 110.2 | N966 C984 M985 Y988 C995 | N966-R968 PolarHBondContact O-N 3.03Å; N966-R968 VanDerWaalsContact O-N 3.14Å; N966-R968 WeakPolarHBondContact OD1-CB 3.45Å; N966-R968 PolarHBondContact OD1-N 2.84Å; R968-C984 CarbonylContact O-C 3.53Å; R968-C984 WeakPolarHBondContact O-CA 3.39Å; R968-M985 WeakPolarHBondContact O-CB 3.2Å; R968-M985 PolarHBondContact O-N 3.12Å; R968-Y988 HydrophobicContact CB-CD1 4.38Å; R968-Y988 HydrophobicContact CB-CD2 3.68Å; R968-Y988 HydrophobicContact CB-CE2 4.13Å; R968-Y988 HydrophobicContact CB-CG 3.82Å; R968-Y988 VanDerWaalsContact CD-CD1 3.5Å; R968-Y988 HydrophobicContact CG-CD1 4.12Å; R968-Y988 HydrophobicContact CG-CD2 3.82Å; R968-Y988 HydrophobicContact CG-CE1 4.07Å; R968-Y988 HydrophobicContact CG-CE2 3.76Å; R968-Y988 HydrophobicContact CG-CG 3.99Å; R968-Y988 VanDerWaalsContact NE-CE1 3.34Å; R968-C995 HydrophobicContact CB-CB 3.79Å; R968-C995 WeakPolarHBondContact CD-O 3.36Å; R968-C995 PolarHBondContact NH1-O 2.84Å; R968-C995 PolarHBondContact O-SG 3.26Å |
| 969 | A | 78.2 | Confident | 67 | Low | 8 Ų | 8 | 48.4 Ų | 48.4 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 164.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C965 N966 R983 M985 G992 | C965-A969 HydrophobicContact CB-CB 4.35Å; N966-A969 HydrophobicContact CB-CB 3.64Å; N966-A969 CarbonylContact O-C 3.53Å; N966-A969 WeakPolarHBondContact O-CA 3.47Å; N966-A969 WeakPolarHBondContact O-CB 3.02Å; N966-A969 PolarHBondContact O-N 3.05Å; N966-A969 VanDerWaalsContact O-O 3.04Å; A969-R983 CarbonylContact C-O 3.55Å; A969-R983 WeakPolarHBondContact CA-O 3.49Å; A969-R983 WeakPolarHBondContact CB-O 3.11Å; A969-M985 WeakPolarHBondContact O-CE 3.3Å; A969-G992 WeakPolarHBondContact CB-O 3.03Å |
| 970 | E | 75.5 | Confident | 67.1 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143 | 175.5 | 50.3 | -178.9 | -177.6 | 0 | 0 | 109.9 | I972 C982 R983 S1281 | E970-I972 HydrophobicContact CG-CG2 3.96Å; E970-I972 PolarHBondContact O-N 2.76Å; E970-C982 CarbonylContact O-C 3.54Å; E970-C982 WeakPolarHBondContact O-CA 3.03Å; E970-R983 HydrophobicContact CG-CB 4.14Å; E970-R983 WeakPolarHBondContact CG-O 3.44Å; E970-R983 PolarHBondContact N-O 3.08Å; E970-R983 PolarHBondContact O-N 3.39Å; E970-R983 IonicContact OE1-CZ 2.8Å; E970-R983 IonicContact OE1-NE 3.16Å; E970-R983 PolarHBondContact OE1-NE 2.87Å; E970-R983 IonicContact OE1-NH2 3.63Å; E970-R983 PolarHBondContact OE1-NH2 2.96Å; E970-S1281 VanDerWaalsContact OE2-CA 3.23Å; E970-S1281 WeakPolarHBondContact OE2-CA 3.47Å; E970-S1281 VanDerWaalsContact OE2-CB 3.23Å; E970-S1281 WeakPolarHBondContact OE2-CB 3.36Å; E970-S1281 PolarHBondContact OE2-OG 3.36Å |
| 971 | C | 80.6 | Confident | 67.5 | Low | 31 Ų | 31 | 49.3 Ų | 49.3 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 109.9 | 162.7 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | C959 N960 C965 | C959-C971 HydrophobicContact CB-CB 4Å; C959-C971 WeakPolarHBondContact CB-SG 3.27Å; C959-C971 PolarHBondContact O-SG 2.87Å; C959-C971 WeakPolarHBondContact SG-CA 3.23Å; C959-C971 WeakPolarHBondContact SG-CB 3.03Å; C959-C971 CovalentContact SG-SG 2.04Å; C959-C971 PolarHBondContact SG-SG 3.38Å; N960-C971 PolarHBondContact N-SG 3.25Å; C965-C971 WeakPolarHBondContact SG-CA 3.42Å; C965-C971 VanDerWaalsContact SG-CB 3.52Å |
| 972 | I | 72.6 | Confident | 68.7 | Low | 20 Ų | 20 | 46.2 Ų | 46.2 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.1 | 172.6 | 49.4 | 170.8 | 0 | 0 | 0 | 108.6 | E970 N974 H980 E981 R983 V1280 | E970-I972 HydrophobicContact CG-CG2 3.96Å; E970-I972 PolarHBondContact O-N 2.76Å; I972-N974 PolarHBondContact O-N 3.11Å; I972-H980 CarbonylContact O-C 3.26Å; I972-H980 WeakPolarHBondContact O-CA 3.41Å; I972-E981 VanDerWaalsContact CG1-O 3.32Å; I972-E981 WeakPolarHBondContact CG1-O 3.08Å; I972-E981 PolarHBondContact N-O 3.41Å; I972-E981 PolarHBondContact O-N 3.18Å; I972-R983 HydrophobicContact CD1-CB 3.9Å; I972-R983 HydrophobicContact CD1-CG 4.47Å; I972-R983 HydrophobicContact CG1-CB 4.27Å; I972-V1280 HydrophobicContact CG2-CG1 4.5Å |
| 973 | L | 72.5 | Confident | 69.8 | Low | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 124.5 | 155.6 | 179.1 | 46.1 | 0 | 0 | 0 | 106.3 | P975 H980 V1324 | L973-P975 WeakPolarHBondContact O-CD 3.2Å; L973-H980 WeakPolarHBondContact CA-CD2 3.48Å; L973-H980 PolarHBondContact N-CD2 2.82Å; L973-H980 VanDerWaalsContact N-CD2 3.32Å; L973-V1324 HydrophobicContact CB-CG1 3.94Å; L973-V1324 HydrophobicContact CB-CG2 4.21Å; L973-V1324 HydrophobicContact CD2-CG1 3.6Å; L973-V1324 HydrophobicContact CG-CG1 3.73Å; L973-V1324 WeakPolarHBondContact O-CG2 3.46Å |
| 974 | N | 66.7 | Low | 70.9 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.5 | 161.5 | 179.1 | -41.1 | 0 | 0 | 0 | 106.8 | I972 H976 T977 N978 K979 E981 | I972-N974 PolarHBondContact O-N 3.11Å; N974-H976 PolarHBondContact O-N 3.17Å; N974-H976 PolarHBondContact OD1-N 2.85Å; N974-T977 WeakPolarHBondContact CB-OG1 3.43Å; N974-T977 PolarHBondContact OD1-N 2.86Å; N974-N978 WeakPolarHBondContact O-CA 3.14Å; N974-N978 PolarHBondContact O-N 2.79Å; N974-N978 VanDerWaalsContact O-N 3.09Å; N974-K979 WeakPolarHBondContact CA-O 3.2Å; N974-K979 WeakPolarHBondContact CB-O 3.27Å; N974-K979 PolarHBondContact N-O 2.8Å; N974-K979 PolarHBondContact O-N 2.86Å; N974-E981 HydrophobicContact CB-CB 4.05Å; N974-E981 HydrophobicContact CB-CG 3.77Å; N974-E981 WeakPolarHBondContact CB-OE1 3.27Å; N974-E981 WeakPolarHBondContact CB-OE2 3.42Å; N974-E981 VanDerWaalsContact CG-OE1 3.3Å; N974-E981 PolarHBondContact ND2-OE1 2.88Å; N974-E981 PolarHBondContact ND2-OE2 3.41Å |
| 975 | P | 54 | Low | 71.5 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -56.2 | 178.5 | 6.7 | -21.1 | 0 | 0 | 0 | 115.3 | L973 T977 N978 S1323 V1324 D1326 | L973-P975 WeakPolarHBondContact O-CD 3.2Å; P975-T977 PolarHBondContact O-N 2.93Å; P975-N978 WeakPolarHBondContact O-CA 3.37Å; P975-N978 PolarHBondContact O-N 2.99Å; P975-S1323 WeakPolarHBondContact CB-O 3.46Å; P975-S1323 WeakPolarHBondContact CG-O 3.38Å; P975-V1324 WeakPolarHBondContact CA-O 3.47Å; P975-V1324 WeakPolarHBondContact CB-O 3.35Å; P975-V1324 HydrophobicContact CG-CG2 4.45Å; P975-D1326 WeakPolarHBondContact CB-OD1 3.36Å |
| 976 | H | 55.4 | Low | 70.6 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 27% | 0.269 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -22.4 | -156.1 | -40.6 | -52 | 0 | 0 | 0 | 111.4 | N974 D1326 I1347 N1348 | N974-H976 PolarHBondContact O-N 3.17Å; N974-H976 PolarHBondContact OD1-N 2.85Å; H976-D1326 IonicContact CE1-OD1 3.12Å; H976-D1326 PolarHBondContact CE1-OD1 2.79Å; H976-D1326 IonicContact ND1-OD1 2.91Å; H976-D1326 PolarHBondContact ND1-OD1 2.87Å; H976-D1326 IonicContact ND1-OD2 2.74Å; H976-I1347 HydrophobicContact CB-CG2 3.79Å; H976-I1347 PolarHBondContact CE1-O 2.88Å; H976-I1347 WeakPolarHBondContact ND1-CG2 3.05Å; H976-I1347 PolarHBondContact ND1-O 2.04Å; H976-N1348 PolarHBondContact CD2-ND2 2.89Å; H976-N1348 PolarHBondContact NE2-ND2 2.99Å |
| 977 | T | 62.7 | Low | 69.6 | Low | 58 Ų | 58 | 43.7 Ų | 43.7 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -22 | 165.6 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | N974 P975 K979 E981 | N974-T977 WeakPolarHBondContact CB-OG1 3.43Å; N974-T977 PolarHBondContact OD1-N 2.86Å; P975-T977 PolarHBondContact O-N 2.93Å; T977-K979 WeakPolarHBondContact O-CG 3.26Å; T977-K979 PolarHBondContact O-N 2.97Å; T977-K979 WeakPolarHBondContact OG1-CB 3.45Å; T977-K979 PolarHBondContact OG1-N 2.91Å; T977-E981 WeakPolarHBondContact CG2-OE1 3.25Å; T977-E981 PolarHBondContact OG1-OE1 2.86Å |
| 978 | N | 61.2 | Low | 69.7 | Low | 113 Ų | 113 | 42.1 Ų | 42.1 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.2 | -165.4 | -153.1 | 13.5 | 0 | 0 | 0 | 111.9 | Q958 N974 P975 | Q958-N978 PolarHBondContact NE2-O 2.85Å; N974-N978 WeakPolarHBondContact O-CA 3.14Å; N974-N978 PolarHBondContact O-N 2.79Å; N974-N978 VanDerWaalsContact O-N 3.09Å; P975-N978 WeakPolarHBondContact O-CA 3.37Å; P975-N978 PolarHBondContact O-N 2.99Å |
| 979 | K | 60 | Low | 69 | Low | 42 Ų | 42 | 40.5 Ų | 40.5 | 18% | 0.183 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.8 | -177.6 | -56.5 | 174.7 | -166.8 | -179.2 | 0 | 109.5 | E955 E956 Q958 N974 T977 E981 | E955-K979 IonicContact OE2-NZ 2.71Å; E955-K979 PolarHBondContact OE2-NZ 2.87Å; E956-K979 HydrophobicContact CG-CD 3.76Å; E956-K979 VanDerWaalsContact CG-CE 3.49Å; E956-K979 HydrophobicContact CG-CG 3.91Å; E956-K979 WeakPolarHBondContact OE1-CE 3.36Å; E956-K979 IonicContact OE1-NZ 3.84Å; Q958-K979 VanDerWaalsContact CD-CA 3.47Å; Q958-K979 HydrophobicContact CG-CB 4.09Å; Q958-K979 HydrophobicContact CG-CG 4.48Å; N974-K979 WeakPolarHBondContact CA-O 3.2Å; N974-K979 WeakPolarHBondContact CB-O 3.27Å; N974-K979 PolarHBondContact N-O 2.8Å; N974-K979 PolarHBondContact O-N 2.86Å; T977-K979 WeakPolarHBondContact O-CG 3.26Å; T977-K979 PolarHBondContact O-N 2.97Å; T977-K979 WeakPolarHBondContact OG1-CB 3.45Å; T977-K979 PolarHBondContact OG1-N 2.91Å; K979-E981 PolarHBondContact O-N 2.9Å |
| 980 | H | 74.3 | Confident | 68.6 | Low | 43 Ų | 43 | 42.3 Ų | 42.3 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.3 | 175.1 | -57.3 | 69.8 | 0 | 0 | 0 | 111.8 | Q958 C959 N960 I972 L973 | Q958-H980 HydrophobicContact CB-CB 3.99Å; Q958-H980 PolarHBondContact OE1-ND1 2.93Å; C959-H980 HydrophobicContact CB-CB 4.42Å; C959-H980 PolarHBondContact N-O 3.23Å; C959-H980 WeakPolarHBondContact SG-CB 3.28Å; N960-H980 HydrophobicContact CB-CB 4.2Å; N960-H980 PolarHBondContact ND2-CE1 2.85Å; N960-H980 PolarHBondContact ND2-ND1 2.83Å; N960-H980 PolarHBondContact OD1-ND1 2.78Å; N960-H980 VanDerWaalsContact OD1-ND1 3.15Å; I972-H980 CarbonylContact O-C 3.26Å; I972-H980 WeakPolarHBondContact O-CA 3.41Å; L973-H980 WeakPolarHBondContact CA-CD2 3.48Å; L973-H980 PolarHBondContact N-CD2 2.82Å; L973-H980 VanDerWaalsContact N-CD2 3.32Å |
| 981 | E | 74.9 | Confident | 68.3 | Low | 69 Ų | 69 | 46.4 Ų | 46.4 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 163 | -174.1 | -67.7 | 171.4 | -152.4 | 0 | 0 | 110.5 | C959 I972 N974 T977 K979 | C959-E981 PolarHBondContact SG-N 3.47Å; C959-E981 VanDerWaalsContact SG-N 3.4Å; C959-E981 PolarHBondContact SG-O 2.98Å; C959-E981 VanDerWaalsContact SG-O 3.41Å; I972-E981 VanDerWaalsContact CG1-O 3.32Å; I972-E981 WeakPolarHBondContact CG1-O 3.08Å; I972-E981 PolarHBondContact N-O 3.41Å; I972-E981 PolarHBondContact O-N 3.18Å; N974-E981 HydrophobicContact CB-CB 4.05Å; N974-E981 HydrophobicContact CB-CG 3.77Å; N974-E981 WeakPolarHBondContact CB-OE1 3.27Å; N974-E981 WeakPolarHBondContact CB-OE2 3.42Å; N974-E981 VanDerWaalsContact CG-OE1 3.3Å; N974-E981 PolarHBondContact ND2-OE1 2.88Å; N974-E981 PolarHBondContact ND2-OE2 3.41Å; T977-E981 WeakPolarHBondContact CG2-OE1 3.25Å; T977-E981 PolarHBondContact OG1-OE1 2.86Å; K979-E981 PolarHBondContact O-N 2.9Å |
| 982 | C | 81.1 | Confident | 67.9 | Low | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.5 | -173.2 | -59 | 0 | 0 | 0 | 0 | 113 | C965 E970 G992 Y993 | C965-C982 WeakPolarHBondContact CA-SG 3.19Å; C965-C982 HydrophobicContact CB-CB 3.61Å; C965-C982 WeakPolarHBondContact CB-SG 3.27Å; C965-C982 VanDerWaalsContact SG-CA 3.53Å; C965-C982 WeakPolarHBondContact SG-CB 3.34Å; C965-C982 CovalentContact SG-SG 2.03Å; C965-C982 PolarHBondContact SG-SG 3.01Å; E970-C982 CarbonylContact O-C 3.54Å; E970-C982 WeakPolarHBondContact O-CA 3.03Å; C982-G992 VanDerWaalsContact CB-O 3.3Å; C982-G992 WeakPolarHBondContact CB-O 3.36Å; C982-Y993 HydrophobicContact CB-CD2 4.22Å; C982-Y993 HydrophobicContact CB-CE1 4.29Å; C982-Y993 HydrophobicContact CB-CE2 3.87Å; C982-Y993 VanDerWaalsContact SG-CE1 3.55Å |
| 983 | R | 78.5 | Confident | 67.9 | Low | 61 Ų | 61 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 126.2 | -177.8 | -175.3 | 171.9 | 77.8 | 176.4 | 9.3 | 112.9 | A969 E970 I972 M985 | A969-R983 CarbonylContact C-O 3.55Å; A969-R983 WeakPolarHBondContact CA-O 3.49Å; A969-R983 WeakPolarHBondContact CB-O 3.11Å; E970-R983 HydrophobicContact CG-CB 4.14Å; E970-R983 WeakPolarHBondContact CG-O 3.44Å; E970-R983 PolarHBondContact N-O 3.08Å; E970-R983 PolarHBondContact O-N 3.39Å; E970-R983 IonicContact OE1-CZ 2.8Å; E970-R983 IonicContact OE1-NE 3.16Å; E970-R983 PolarHBondContact OE1-NE 2.87Å; E970-R983 IonicContact OE1-NH2 3.63Å; E970-R983 PolarHBondContact OE1-NH2 2.96Å; I972-R983 HydrophobicContact CD1-CB 3.9Å; I972-R983 HydrophobicContact CD1-CG 4.47Å; I972-R983 HydrophobicContact CG1-CB 4.27Å; R983-M985 PolarHBondContact O-N 3.43Å |
| 984 | C | 80.9 | Confident | 67.7 | Low | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 131.7 | -179.5 | -69 | 0 | 0 | 0 | 0 | 113.8 | R968 G992 E994 C995 | R968-C984 CarbonylContact O-C 3.53Å; R968-C984 WeakPolarHBondContact O-CA 3.39Å; C984-G992 PolarHBondContact SG-N 2.8Å; C984-G992 VanDerWaalsContact SG-N 3.39Å; C984-E994 PolarHBondContact SG-O 2.77Å; C984-C995 VanDerWaalsContact CA-SG 3.54Å; C984-C995 HydrophobicContact CB-CB 3.94Å; C984-C995 WeakPolarHBondContact CB-SG 3.5Å; C984-C995 WeakPolarHBondContact SG-CB 3.4Å; C984-C995 CovalentContact SG-SG 2.04Å; C984-C995 PolarHBondContact SG-SG 3.04Å |
| 985 | M | 74.9 | Confident | 68.3 | Low | 59 Ų | 59 | 52.8 Ų | 52.8 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 151.5 | 171.1 | -65.2 | -177.3 | -162.6 | 0 | 0 | 111.3 | Q967 R968 A969 R983 Y988 | Q967-M985 WeakPolarHBondContact O-CE 3.25Å; R968-M985 WeakPolarHBondContact O-CB 3.2Å; R968-M985 PolarHBondContact O-N 3.12Å; A969-M985 WeakPolarHBondContact O-CE 3.3Å; R983-M985 PolarHBondContact O-N 3.43Å; M985-Y988 PolarHBondContact O-N 2.89Å; M985-Y988 VanDerWaalsContact O-N 3.17Å |
| 986 | A | 59.1 | Low | 68.6 | Low | 10 Ų | 10 | 57.2 Ų | 57.2 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y988 V1262 Y1481 | A986-Y988 VanDerWaalsContact C-N 3.32Å; A986-V1262 HydrophobicContact CB-CG2 4.33Å; A986-Y1481 HydrophobicContact CB-CE2 3.74Å |
| 987 | G | 55.2 | Low | 68.5 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -11.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 988 | Y | 71.1 | Confident | 67.9 | Low | 77 Ų | 77 | 60.1 Ų | 60.1 | 30% | 0.302 | 31% | 0.311 | S | S | . | . | trans | -125.5 | 161.8 | 172.6 | -56.1 | -81.7 | 0 | 0 | 0 | 111.5 | R968 M985 A986 Q996 P997 K1479 | R968-Y988 HydrophobicContact CB-CD1 4.38Å; R968-Y988 HydrophobicContact CB-CD2 3.68Å; R968-Y988 HydrophobicContact CB-CE2 4.13Å; R968-Y988 HydrophobicContact CB-CG 3.82Å; R968-Y988 VanDerWaalsContact CD-CD1 3.5Å; R968-Y988 HydrophobicContact CG-CD1 4.12Å; R968-Y988 HydrophobicContact CG-CD2 3.82Å; R968-Y988 HydrophobicContact CG-CE1 4.07Å; R968-Y988 HydrophobicContact CG-CE2 3.76Å; R968-Y988 HydrophobicContact CG-CG 3.99Å; R968-Y988 VanDerWaalsContact NE-CE1 3.34Å; M985-Y988 PolarHBondContact O-N 2.89Å; M985-Y988 VanDerWaalsContact O-N 3.17Å; A986-Y988 VanDerWaalsContact C-N 3.32Å; Y988-Q996 CarbonylContact C-O 3.58Å; Y988-Q996 WeakPolarHBondContact CA-O 3.5Å; Y988-P997 HydrophobicContact CD1-CB 3.96Å; Y988-P997 HydrophobicContact CD1-CG 4.46Å; Y988-P997 HydrophobicContact CE1-CB 3.8Å; Y988-P997 HydrophobicContact CE1-CG 4.22Å; Y988-K1479 WeakPolarHBondContact O-CE 3.41Å | ||
| 989 | T | 59.3 | Low | 66.9 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.1 | 175.8 | -161.9 | 0 | 0 | 0 | 0 | 112.9 | C995 Q996 K1479 | T989-C995 CarbonylContact O-C 3.58Å; T989-C995 VanDerWaalsContact O-CA 3.29Å; T989-C995 WeakPolarHBondContact O-CA 3.42Å; T989-Q996 PolarHBondContact N-O 3.5Å; T989-Q996 PolarHBondContact O-N 2.98Å; T989-K1479 PolarHBondContact OG1-NZ 3.45Å |
| 990 | G | 71.2 | Confident | 65.4 | Low | 47 Ų | 47 | 68.3 Ų | 68.3 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -157 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E994 | G990-E994 CarbonylContact C-O 3.57Å; G990-E994 WeakPolarHBondContact CA-O 3.36Å |
| 991 | D | 69.3 | Low | 63.4 | Low | 105 Ų | 105 | 73.6 Ų | 73.6 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -95.1 | -8.4 | -166.2 | 74.1 | -17.1 | 0 | 0 | 0 | 115.4 | Y993 E994 | D991-Y993 WeakPolarHBondContact OD1-CA 3.38Å; D991-Y993 PolarHBondContact OD1-N 3.24Å; D991-E994 PolarHBondContact N-O 2.88Å; D991-E994 PolarHBondContact OD1-N 2.86Å |
| 992 | G | 70.4 | Confident | 61.6 | Low | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 102.7 | -17.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N966 A969 C982 C984 | N966-G992 WeakPolarHBondContact CB-O 3.45Å; N966-G992 PolarHBondContact N-O 2.93Å; A969-G992 WeakPolarHBondContact CB-O 3.03Å; C982-G992 VanDerWaalsContact CB-O 3.3Å; C982-G992 WeakPolarHBondContact CB-O 3.36Å; C984-G992 PolarHBondContact SG-N 2.8Å; C984-G992 VanDerWaalsContact SG-N 3.39Å |
| 993 | Y | 74.3 | Confident | 59.5 | Low | 122 Ų | 122 | 78.1 Ų | 78.1 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -101.5 | -18.5 | 167.2 | -62.8 | -88.7 | 0 | 0 | 0 | 111.1 | T964 N966 C982 D991 | T964-Y993 WeakPolarHBondContact O-CD1 3.35Å; T964-Y993 WeakPolarHBondContact O-CE1 3.15Å; N966-Y993 WeakPolarHBondContact CB-O 3.35Å; N966-Y993 PolarHBondContact ND2-O 2.62Å; C982-Y993 HydrophobicContact CB-CD2 4.22Å; C982-Y993 HydrophobicContact CB-CE1 4.29Å; C982-Y993 HydrophobicContact CB-CE2 3.87Å; C982-Y993 VanDerWaalsContact SG-CE1 3.55Å; D991-Y993 WeakPolarHBondContact OD1-CA 3.38Å; D991-Y993 PolarHBondContact OD1-N 3.24Å |
| 994 | E | 66.8 | Low | 57.6 | Low | 127 Ų | 127 | 80.3 Ų | 80.3 | 59% | 0.593 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -140.7 | 137.4 | 176.5 | -168.5 | 178.2 | -122.1 | 0 | 0 | 112.3 | N966 C984 G990 D991 | N966-E994 WeakPolarHBondContact ND2-CA 3.34Å; C984-E994 PolarHBondContact SG-O 2.77Å; G990-E994 CarbonylContact C-O 3.57Å; G990-E994 WeakPolarHBondContact CA-O 3.36Å; D991-E994 PolarHBondContact N-O 2.88Å; D991-E994 PolarHBondContact OD1-N 2.86Å |
| 995 | C | 79 | Confident | 56 | Low | 4 Ų | 4 | 88.6 Ų | 88.6 | 3% | 0.027 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 133.8 | -171.3 | -50.8 | 0 | 0 | 0 | 0 | 117.6 | R968 C984 T989 | R968-C995 HydrophobicContact CB-CB 3.79Å; R968-C995 WeakPolarHBondContact CD-O 3.36Å; R968-C995 PolarHBondContact NH1-O 2.84Å; R968-C995 PolarHBondContact O-SG 3.26Å; C984-C995 VanDerWaalsContact CA-SG 3.54Å; C984-C995 HydrophobicContact CB-CB 3.94Å; C984-C995 WeakPolarHBondContact CB-SG 3.5Å; C984-C995 WeakPolarHBondContact SG-CB 3.4Å; C984-C995 CovalentContact SG-SG 2.04Å; C984-C995 PolarHBondContact SG-SG 3.04Å; T989-C995 CarbonylContact O-C 3.58Å; T989-C995 VanDerWaalsContact O-CA 3.29Å; T989-C995 WeakPolarHBondContact O-CA 3.42Å |
| 996 | Q | 61 | Low | 55 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.5 | -166.7 | -54.1 | 177.7 | -1 | 0 | 0 | 119.9 | Y988 T989 | Y988-Q996 CarbonylContact C-O 3.58Å; Y988-Q996 WeakPolarHBondContact CA-O 3.5Å; T989-Q996 PolarHBondContact N-O 3.5Å; T989-Q996 PolarHBondContact O-N 2.98Å |
| 997 | P | 52.8 | Low | 55.4 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | trans | -100.9 | -154.3 | -165.9 | 40.9 | -39.8 | 0 | 0 | 0 | 122.5 | Y988 | Y988-P997 HydrophobicContact CD1-CB 3.96Å; Y988-P997 HydrophobicContact CD1-CG 4.46Å; Y988-P997 HydrophobicContact CE1-CB 3.8Å; Y988-P997 HydrophobicContact CE1-CG 4.22Å | ||
| 998 | I | 51 | Low | 56.1 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | trans | -157.7 | 159.5 | -161.7 | -17.9 | 166.8 | 0 | 0 | 0 | 116.8 | K1455 | I998-K1455 HydrophobicContact CD1-CD 4.17Å; I998-K1455 HydrophobicContact CG2-CD 4.33Å | ||
| 999 | Q | 39.2 | Very low | 56.2 | Low | 180 Ų | 180 | 92.3 Ų | 92.3 | 84% | 0.841 | 48% | 0.48 | S | S | * | . | trans | -159.1 | 177.5 | 178.9 | -59 | -169.2 | 21.9 | 0 | 0 | 119.8 | ||||
| 1000 | T | 28.4 | Very low | 56.6 | Low | 147 Ų | 147 | 97.3 Ų | 97.3 | 90% | 0.902 | 50% | 0.498 | S | S | * | . | trans | 114.9 | 164.4 | 155.4 | 66.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1001 | E | 33.8 | Very low | 56.2 | Low | 154 Ų | 154 | 97.3 Ų | 97.3 | 72% | 0.72 | 49% | 0.491 | S | S | * | . | trans | -119.2 | 175.5 | -149.7 | -109.5 | -143.6 | 104.5 | 0 | 0 | 121.5 | ||||
| 1002 | P | 36.2 | Very low | 55.9 | Low | 96 Ų | 96 | 94.5 Ų | 94.5 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | trans | -107.2 | -157.4 | -174.7 | 42.8 | -33.4 | 0 | 0 | 0 | 117.1 | ||||
| 1003 | Q | 37.4 | Very low | 56 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 38% | 0.383 | 52% | 0.524 | S | S | . | . | cis | -163 | -168.3 | 16.2 | -152.7 | -147.1 | -9.8 | 0 | 0 | 114 | D1024 R1026 | Q1003-D1024 PolarHBondContact NE2-OD1 2.91Å; Q1003-R1026 VanDerWaalsContact OE1-CD 3.3Å | ||
| 1004 | K | 38.5 | Very low | 56 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | trans | -158 | -176 | -170.3 | -149.1 | 171.9 | -179.4 | 172.7 | 0 | 116.9 | L1006 E1033 | K1004-L1006 WeakPolarHBondContact O-CD1 3.28Å; K1004-E1033 WeakPolarHBondContact CD-OE1 3.44Å; K1004-E1033 IonicContact NZ-OE1 3.38Å; K1004-E1033 PolarHBondContact NZ-OE1 3.39Å | ||
| 1005 | Q | 48.1 | Very low | 56.7 | Low | 182 Ų | 182 | 93.4 Ų | 93.4 | 85% | 0.85 | 49% | 0.494 | S | S | * | . | trans | -109.3 | 135.5 | 176.9 | -174.8 | -179.3 | 34.9 | 0 | 0 | 113.6 | ||||
| 1006 | L | 52.7 | Low | 56.9 | Low | 36 Ų | 36 | 95 Ų | 95 | 19% | 0.188 | 50% | 0.501 | C | S | . | . | trans | -141.9 | 154.1 | -148.1 | -61.8 | 147 | 0 | 0 | 0 | 115 | K1004 I1022 D1024 I1031 E1033 | K1004-L1006 WeakPolarHBondContact O-CD1 3.28Å; L1006-I1022 HydrophobicContact CD1-CD1 3.94Å; L1006-I1022 HydrophobicContact CD2-CD1 3.72Å; L1006-I1022 HydrophobicContact CD2-CG1 4.44Å; L1006-I1022 HydrophobicContact CG-CD1 4.42Å; L1006-D1024 WeakPolarHBondContact CD1-OD2 3.27Å; L1006-I1031 HydrophobicContact CB-CB 3.95Å; L1006-I1031 HydrophobicContact CB-CD1 3.52Å; L1006-I1031 HydrophobicContact CB-CG1 3.72Å; L1006-I1031 HydrophobicContact CB-CG2 4.43Å; L1006-I1031 HydrophobicContact CD1-CD1 3.68Å; L1006-I1031 HydrophobicContact CD1-CG1 4.42Å; L1006-I1031 HydrophobicContact CD2-CD1 4.33Å; L1006-I1031 HydrophobicContact CD2-CG1 4.17Å; L1006-I1031 HydrophobicContact CG-CD1 4Å; L1006-I1031 HydrophobicContact CG-CG1 4.29Å; L1006-E1033 HydrophobicContact CD2-CB 3.76Å | ||
| 1007 | Y | 67.8 | Low | 58 | Low | 117 Ų | 117 | 97.2 Ų | 97.2 | 46% | 0.459 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.8 | -170.3 | -86 | -107.5 | 0 | 0 | 0 | 115.2 | I1031 C1032 D1041 | Y1007-I1031 CarbonylContact O-C 3.58Å; Y1007-I1031 WeakPolarHBondContact O-CA 3.34Å; Y1007-I1031 WeakPolarHBondContact O-CB 3.15Å; Y1007-C1032 PolarHBondContact O-N 3.43Å; Y1007-D1041 WeakPolarHBondContact CB-O 3.49Å; Y1007-D1041 HydrophobicContact CD2-CB 3.86Å; Y1007-D1041 WeakPolarHBondContact CD2-O 3.06Å; Y1007-D1041 HydrophobicContact CE1-CB 4.26Å; Y1007-D1041 HydrophobicContact CE2-CB 3.5Å; Y1007-D1041 VanDerWaalsContact CE2-CB 3.5Å; Y1007-D1041 HydrophobicContact CG-CB 4.37Å; Y1007-D1041 VanDerWaalsContact CG-O 3.32Å |
| 1008 | S | 69.3 | Low | 59.4 | Low | 71 Ų | 71 | 95.1 Ų | 95.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 136.2 | -168.3 | 70 | 0 | 0 | 0 | 0 | 119 | Y1030 R1043 | S1008-Y1030 CarbonylContact C-O 3.55Å; S1008-Y1030 WeakPolarHBondContact CA-O 3.42Å; S1008-Y1030 WeakPolarHBondContact CB-O 3.5Å; S1008-R1043 PolarHBondContact O-NE 2.87Å |
| 1009 | C | 74.1 | Confident | 60.7 | Low | 9 Ų | 9 | 91.4 Ų | 91.4 | 6% | 0.061 | 48% | 0.481 | C | S | . | . | trans | -121.1 | -177.9 | 171.9 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | D1014 C1015 C1021 Y1030 I1031 | C1009-D1014 HydrophobicContact CB-CB 3.66Å; C1009-C1015 WeakPolarHBondContact CB-SG 3.44Å; C1009-C1015 VanDerWaalsContact SG-SG 3.69Å; C1009-C1021 HydrophobicContact CB-CB 4.15Å; C1009-C1021 WeakPolarHBondContact CB-SG 3.46Å; C1009-C1021 WeakPolarHBondContact SG-CB 3.46Å; C1009-C1021 CovalentContact SG-SG 2.04Å; C1009-C1021 PolarHBondContact SG-SG 3.21Å; C1009-Y1030 PolarHBondContact N-O 2.98Å; C1009-Y1030 WeakPolarHBondContact O-CB 3.07Å; C1009-I1031 WeakPolarHBondContact SG-CA 3.43Å; C1009-I1031 PolarHBondContact SG-N 2.88Å | ||
| 1010 | Q | 68.2 | Low | 62.6 | Low | 169 Ų | 169 | 83.2 Ų | 83.2 | 79% | 0.79 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -137.8 | -25.4 | 166.6 | -63 | -171.7 | -8 | 0 | 0 | 112.4 | D1014 | Q1010-D1014 WeakPolarHBondContact CA-OD2 3.45Å; Q1010-D1014 PolarHBondContact N-OD2 3.33Å |
| 1011 | S | 62.4 | Low | 65.1 | Low | 48 Ų | 48 | 76.9 Ų | 76.9 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -135.1 | 171.4 | 164.5 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | D1013 D1014 | S1011-D1013 PolarHBondContact O-N 3.26Å; S1011-D1013 WeakPolarHBondContact OG-CB 3.49Å; S1011-D1013 PolarHBondContact OG-N 3.04Å; S1011-D1013 PolarHBondContact OG-OD2 2.75Å; S1011-D1014 PolarHBondContact N-OD2 3.1Å; S1011-D1014 WeakPolarHBondContact O-CB 3.32Å; S1011-D1014 PolarHBondContact O-N 2.96Å; S1011-D1014 VanDerWaalsContact O-N 3.14Å; S1011-D1014 PolarHBondContact OG-OD2 2.87Å |
| 1012 | G | 61.6 | Low | 67.2 | Low | 46 Ų | 46 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -60.9 | -20.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1014 C1015 | G1012-D1014 VanDerWaalsContact C-N 3.25Å; G1012-D1014 PolarHBondContact O-N 2.96Å; G1012-C1015 PolarHBondContact O-N 2.93Å |
| 1013 | D | 74.2 | Confident | 68.8 | Low | 145 Ų | 145 | 65.2 Ų | 65.2 | 78% | 0.775 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -73.4 | -13 | 176.9 | -48.6 | -85 | 0 | 0 | 0 | 113.4 | S1011 C1015 | S1011-D1013 PolarHBondContact O-N 3.26Å; S1011-D1013 WeakPolarHBondContact OG-CB 3.49Å; S1011-D1013 PolarHBondContact OG-N 3.04Å; S1011-D1013 PolarHBondContact OG-OD2 2.75Å; D1013-C1015 VanDerWaalsContact C-N 3.3Å |
| 1014 | D | 72.7 | Confident | 69.9 | Low | 64 Ų | 64 | 61.7 Ų | 61.7 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -82.6 | -8 | 174.3 | -68.8 | -72.2 | 0 | 0 | 0 | 113.4 | C1009 Q1010 S1011 G1012 R1043 | C1009-D1014 HydrophobicContact CB-CB 3.66Å; Q1010-D1014 WeakPolarHBondContact CA-OD2 3.45Å; Q1010-D1014 PolarHBondContact N-OD2 3.33Å; S1011-D1014 PolarHBondContact N-OD2 3.1Å; S1011-D1014 WeakPolarHBondContact O-CB 3.32Å; S1011-D1014 PolarHBondContact O-N 2.96Å; S1011-D1014 VanDerWaalsContact O-N 3.14Å; S1011-D1014 PolarHBondContact OG-OD2 2.87Å; G1012-D1014 VanDerWaalsContact C-N 3.25Å; G1012-D1014 PolarHBondContact O-N 2.96Å; D1014-R1043 WeakPolarHBondContact O-CG 3.08Å |
| 1015 | C | 82.4 | Confident | 70.7 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -105.3 | 168.6 | -174 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | C1009 G1012 D1013 A1019 H1020 C1032 G1042 | C1009-C1015 WeakPolarHBondContact CB-SG 3.44Å; C1009-C1015 VanDerWaalsContact SG-SG 3.69Å; G1012-C1015 PolarHBondContact O-N 2.93Å; D1013-C1015 VanDerWaalsContact C-N 3.3Å; C1015-A1019 HydrophobicContact CB-CB 3.88Å; C1015-H1020 PolarHBondContact SG-O 2.88Å; C1015-C1032 WeakPolarHBondContact CA-SG 3.36Å; C1015-C1032 HydrophobicContact CB-CB 3.7Å; C1015-C1032 WeakPolarHBondContact CB-SG 3.26Å; C1015-C1032 WeakPolarHBondContact SG-CB 3.44Å; C1015-C1032 CovalentContact SG-SG 2.04Å; C1015-C1032 PolarHBondContact SG-SG 3.24Å; C1015-G1042 WeakPolarHBondContact CB-O 3.25Å |
| 1016 | H | 83.6 | Confident | 70.7 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -64.8 | 155.4 | 175.6 | -172.2 | -104.4 | 0 | 0 | 0 | 111 | N1018 A1019 G1042 R1043 C1046 | H1016-N1018 PolarHBondContact CE1-ND2 3.39Å; H1016-N1018 PolarHBondContact ND1-N 3.08Å; H1016-N1018 VanDerWaalsContact ND1-N 3.19Å; H1016-N1018 PolarHBondContact O-N 2.77Å; H1016-A1019 HydrophobicContact CB-CB 4.02Å; H1016-A1019 VanDerWaalsContact O-CB 3.32Å; H1016-A1019 WeakPolarHBondContact O-CB 3.31Å; H1016-A1019 PolarHBondContact O-N 2.86Å; H1016-G1042 PolarHBondContact N-O 3.3Å; H1016-R1043 PolarHBondContact N-O 2.81Å; H1016-C1046 HydrophobicContact CB-CB 4.21Å; H1016-C1046 PolarHBondContact CE1-N 3.05Å; H1016-C1046 PolarHBondContact CE1-O 2.86Å; H1016-C1046 VanDerWaalsContact CE1-O 3.32Å; H1016-C1046 VanDerWaalsContact CG-N 3.26Å; H1016-C1046 WeakPolarHBondContact ND1-CB 3.46Å; H1016-C1046 PolarHBondContact ND1-N 2.87Å; H1016-C1046 VanDerWaalsContact ND1-N 3.13Å | ||
| 1017 | M | 83 | Confident | 71 | Confident | 157 Ų | 157 | 56.2 Ų | 56.2 | 77% | 0.773 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.8 | 178.4 | 75.7 | -173.6 | 74.9 | 0 | 0 | 114.3 | ||
| 1018 | N | 83.7 | Confident | 70.4 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 40.1 | 174.5 | -48.6 | -40.6 | 0 | 0 | 0 | 110.9 | H1016 C1034 L1035 F1038 C1046 | H1016-N1018 PolarHBondContact CE1-ND2 3.39Å; H1016-N1018 PolarHBondContact ND1-N 3.08Å; H1016-N1018 VanDerWaalsContact ND1-N 3.19Å; H1016-N1018 PolarHBondContact O-N 2.77Å; N1018-C1034 WeakPolarHBondContact O-CA 3.48Å; N1018-L1035 HydrophobicContact CB-CD1 4.4Å; N1018-L1035 PolarHBondContact O-N 2.81Å; N1018-F1038 HydrophobicContact CB-CB 4.42Å; N1018-F1038 HydrophobicContact CB-CD1 3.63Å; N1018-F1038 HydrophobicContact CB-CD2 3.92Å; N1018-F1038 HydrophobicContact CB-CE1 3.76Å; N1018-F1038 HydrophobicContact CB-CE2 4.01Å; N1018-F1038 HydrophobicContact CB-CG 3.74Å; N1018-F1038 HydrophobicContact CB-CZ 3.93Å; N1018-F1038 VanDerWaalsContact CG-CE1 3.45Å; N1018-F1038 WeakPolarHBondContact ND2-CE1 3.48Å; N1018-C1046 HydrophobicContact CB-CB 3.97Å; N1018-C1046 PolarHBondContact ND2-O 3.39Å; N1018-C1046 VanDerWaalsContact ND2-O 3.15Å; N1018-C1046 VanDerWaalsContact O-CB 3.29Å; N1018-C1046 WeakPolarHBondContact O-CB 3.29Å |
| 1019 | A | 78 | Confident | 69.8 | Low | 14 Ų | 14 | 51.8 Ų | 51.8 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -142.4 | 163.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C1015 H1016 E1033 G1042 | C1015-A1019 HydrophobicContact CB-CB 3.88Å; H1016-A1019 HydrophobicContact CB-CB 4.02Å; H1016-A1019 VanDerWaalsContact O-CB 3.32Å; H1016-A1019 WeakPolarHBondContact O-CB 3.31Å; H1016-A1019 PolarHBondContact O-N 2.86Å; A1019-E1033 CarbonylContact C-O 3.5Å; A1019-E1033 WeakPolarHBondContact CA-O 3.24Å; A1019-E1033 WeakPolarHBondContact CB-O 3.38Å; A1019-G1042 WeakPolarHBondContact CB-O 3.21Å |
| 1020 | H | 77.8 | Confident | 69.7 | Low | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -124.4 | -160.4 | 167.6 | 17 | 18.6 | 0 | 0 | 0 | 109 | C1015 C1032 E1033 Q1247 E1249 | C1015-H1020 PolarHBondContact SG-O 2.88Å; H1020-C1032 VanDerWaalsContact O-CA 3.31Å; H1020-C1032 WeakPolarHBondContact O-CA 3.44Å; H1020-E1033 PolarHBondContact N-O 2.9Å; H1020-Q1247 HydrophobicContact CB-CB 4.32Å; H1020-E1249 VanDerWaalsContact C-CD 3.45Å; H1020-E1249 HydrophobicContact CB-CB 3.9Å; H1020-E1249 HydrophobicContact CB-CG 3.89Å; H1020-E1249 VanDerWaalsContact CE1-CG 3.44Å; H1020-E1249 WeakPolarHBondContact CE1-CG 3.08Å; H1020-E1249 IonicContact CE1-OE1 3.9Å; H1020-E1249 PolarHBondContact CE1-OE1 3.11Å; H1020-E1249 VanDerWaalsContact CE1-OE1 3.26Å; H1020-E1249 VanDerWaalsContact CG-CD 3.48Å; H1020-E1249 VanDerWaalsContact CG-CG 3.44Å; H1020-E1249 IonicContact CG-OE1 3.82Å; H1020-E1249 PolarHBondContact N-OE1 3.26Å; H1020-E1249 VanDerWaalsContact ND1-CG 3.28Å; H1020-E1249 WeakPolarHBondContact ND1-CG 3.47Å; H1020-E1249 IonicContact ND1-OE1 2.7Å; H1020-E1249 PolarHBondContact ND1-OE1 3Å | ||
| 1021 | C | 81.8 | Confident | 70.2 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 9% | 0.088 | 26% | 0.255 | C | S | . | . | trans | -138.4 | 90.3 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | C1009 I1031 E1249 | C1009-C1021 HydrophobicContact CB-CB 4.15Å; C1009-C1021 WeakPolarHBondContact CB-SG 3.46Å; C1009-C1021 WeakPolarHBondContact SG-CB 3.46Å; C1009-C1021 CovalentContact SG-SG 2.04Å; C1009-C1021 PolarHBondContact SG-SG 3.21Å; C1021-I1031 CarbonylContact C-O 3.54Å; C1021-I1031 WeakPolarHBondContact CA-O 3.31Å; C1021-E1249 VanDerWaalsContact C-OE2 3.23Å; C1021-E1249 WeakPolarHBondContact CA-OE2 3.21Å; C1021-E1249 PolarHBondContact N-OE2 2.66Å | ||
| 1022 | I | 77.4 | Confident | 71.1 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 156.3 | -176.4 | 65.2 | 176.6 | 0 | 0 | 0 | 113.1 | L1006 D1024 I1031 E1033 R1223 E1249 Y1251 | L1006-I1022 HydrophobicContact CD1-CD1 3.94Å; L1006-I1022 HydrophobicContact CD2-CD1 3.72Å; L1006-I1022 HydrophobicContact CD2-CG1 4.44Å; L1006-I1022 HydrophobicContact CG-CD1 4.42Å; I1022-D1024 HydrophobicContact CD1-CB 4.36Å; I1022-I1031 HydrophobicContact CD1-CD1 3.87Å; I1022-I1031 HydrophobicContact CD1-CG1 3.83Å; I1022-I1031 HydrophobicContact CG1-CD1 3.79Å; I1022-I1031 HydrophobicContact CG1-CG1 3.28Å; I1022-I1031 PolarHBondContact N-O 3.04Å; I1022-I1031 PolarHBondContact O-N 2.9Å; I1022-E1033 HydrophobicContact CG2-CB 4.48Å; I1022-R1223 PolarHBondContact O-NH2 3.05Å; I1022-E1249 WeakPolarHBondContact CA-O 3.5Å; I1022-E1249 HydrophobicContact CB-CB 4.08Å; I1022-E1249 HydrophobicContact CB-CG 4.31Å; I1022-E1249 WeakPolarHBondContact CB-O 3.35Å; I1022-E1249 HydrophobicContact CG2-CB 3.32Å; I1022-E1249 VanDerWaalsContact CG2-CD 3.43Å; I1022-E1249 HydrophobicContact CG2-CG 3.16Å; I1022-E1249 VanDerWaalsContact CG2-O 3.28Å; I1022-E1249 WeakPolarHBondContact CG2-O 3.29Å; I1022-E1249 VanDerWaalsContact CG2-OE2 3.32Å; I1022-E1249 WeakPolarHBondContact CG2-OE2 3Å; I1022-E1249 PolarHBondContact N-OE2 3.1Å; I1022-Y1251 HydrophobicContact CB-CD2 4.47Å; I1022-Y1251 HydrophobicContact CG2-CD2 4.25Å; I1022-Y1251 HydrophobicContact CG2-CE2 3.94Å |
| 1023 | V | 70.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 117.1 | 138.1 | -159.1 | 0 | 0 | 0 | 0 | 106.8 | E1025 E1028 | V1023-E1025 PolarHBondContact O-N 3.49Å; V1023-E1028 HydrophobicContact CG1-CB 4.44Å; V1023-E1028 HydrophobicContact CG1-CG 3.42Å; V1023-E1028 VanDerWaalsContact CG1-CG 3.42Å |
| 1024 | D | 59 | Low | 72.2 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 136.4 | 167.7 | -148.4 | -27 | 0 | 0 | 0 | 108.8 | Q1003 L1006 I1022 R1026 S1027 I1031 S1218 | Q1003-D1024 PolarHBondContact NE2-OD1 2.91Å; L1006-D1024 WeakPolarHBondContact CD1-OD2 3.27Å; I1022-D1024 HydrophobicContact CD1-CB 4.36Å; D1024-R1026 PolarHBondContact OD1-N 2.94Å; D1024-S1027 WeakPolarHBondContact OD2-CA 3.48Å; D1024-S1027 WeakPolarHBondContact OD2-CB 3.44Å; D1024-S1027 PolarHBondContact OD2-N 2.86Å; D1024-S1027 PolarHBondContact OD2-OG 2.84Å; D1024-I1031 HydrophobicContact CB-CD1 3.33Å; D1024-I1031 WeakPolarHBondContact OD2-CD1 3.49Å; D1024-S1218 WeakPolarHBondContact O-CB 3.49Å; D1024-S1218 PolarHBondContact O-N 2.83Å; D1024-S1218 PolarHBondContact O-OG 2.75Å |
| 1025 | E | 55.7 | Low | 72.3 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.8 | 161.3 | -80.1 | -165.3 | -155.8 | 0 | 0 | 112.4 | V1023 S1218 Y1251 | V1023-E1025 PolarHBondContact O-N 3.49Å; E1025-S1218 WeakPolarHBondContact O-CA 3.29Å; E1025-S1218 WeakPolarHBondContact O-CB 3.44Å; E1025-Y1251 HydrophobicContact CG-CG 4.43Å |
| 1026 | R | 49.6 | Very low | 71.3 | Confident | 101 Ų | 101 | 43 Ų | 43 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -66.9 | 148.9 | -59 | -164.6 | 179 | 124.7 | 0.1 | 115.9 | Q1003 D1024 E1028 S1218 F1220 T1221 | Q1003-R1026 VanDerWaalsContact OE1-CD 3.3Å; D1024-R1026 PolarHBondContact OD1-N 2.94Å; R1026-E1028 PolarHBondContact O-N 3.48Å; R1026-S1218 WeakPolarHBondContact O-CB 3.48Å; R1026-S1218 PolarHBondContact O-OG 2.82Å; R1026-F1220 HydrophobicContact CB-CD2 3.77Å; R1026-F1220 HydrophobicContact CB-CE2 3.88Å; R1026-F1220 HydrophobicContact CB-CG 4.28Å; R1026-F1220 HydrophobicContact CB-CZ 4.45Å; R1026-F1220 HydrophobicContact CG-CD2 4.12Å; R1026-F1220 HydrophobicContact CG-CE2 3.69Å; R1026-F1220 HydrophobicContact CG-CZ 4.16Å; R1026-F1220 CarbonylContact O-C 3.55Å; R1026-F1220 VanDerWaalsContact O-C 3.25Å; R1026-F1220 WeakPolarHBondContact O-CA 3.39Å; R1026-F1220 WeakPolarHBondContact O-CB 3.15Å; R1026-F1220 WeakPolarHBondContact O-CD2 3.31Å; R1026-F1220 WeakPolarHBondContact O-CG 3.49Å; R1026-F1220 PolarHBondContact O-N 3.48Å; R1026-T1221 PolarHBondContact O-N 2.84Å |
| 1027 | S | 58.2 | Low | 70.3 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 8.9 | -173.4 | 74.5 | 0 | 0 | 0 | 0 | 119.1 | D1024 Q1029 T1221 | D1024-S1027 WeakPolarHBondContact OD2-CA 3.48Å; D1024-S1027 WeakPolarHBondContact OD2-CB 3.44Å; D1024-S1027 PolarHBondContact OD2-N 2.86Å; D1024-S1027 PolarHBondContact OD2-OG 2.84Å; S1027-Q1029 WeakPolarHBondContact O-CG 3.17Å; S1027-Q1029 PolarHBondContact O-N 3.17Å; S1027-Q1029 PolarHBondContact O-NE2 3.22Å; S1027-T1221 WeakPolarHBondContact O-CB 3.24Å; S1027-T1221 PolarHBondContact O-N 2.92Å; S1027-T1221 PolarHBondContact O-OG1 2.85Å |
| 1028 | E | 55.4 | Low | 69.9 | Low | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 29.4 | -1.2 | -169.2 | -124.6 | 156.5 | 107.5 | 0 | 0 | 121.1 | V1023 R1026 C1211 H1216 G1217 S1218 G1219 T1221 C1222 R1223 | V1023-E1028 HydrophobicContact CG1-CB 4.44Å; V1023-E1028 HydrophobicContact CG1-CG 3.42Å; V1023-E1028 VanDerWaalsContact CG1-CG 3.42Å; R1026-E1028 PolarHBondContact O-N 3.48Å; E1028-C1211 VanDerWaalsContact CD-SG 3.56Å; E1028-C1211 PolarHBondContact OE1-SG 2.86Å; E1028-C1211 VanDerWaalsContact OE1-SG 3.4Å; E1028-C1211 PolarHBondContact OE2-SG 2.88Å; E1028-H1216 WeakPolarHBondContact CG-O 3.04Å; E1028-G1217 PolarHBondContact OE1-N 2.86Å; E1028-G1217 WeakPolarHBondContact OE2-CA 3.43Å; E1028-S1218 WeakPolarHBondContact CA-OG 3.39Å; E1028-S1218 WeakPolarHBondContact CB-OG 3.35Å; E1028-S1218 WeakPolarHBondContact CG-OG 3.28Å; E1028-S1218 PolarHBondContact N-OG 3.33Å; E1028-S1218 VanDerWaalsContact N-OG 3.09Å; E1028-S1218 WeakPolarHBondContact OE2-CA 3.17Å; E1028-S1218 WeakPolarHBondContact OE2-CB 3.22Å; E1028-S1218 PolarHBondContact OE2-N 3.25Å; E1028-S1218 PolarHBondContact OE2-OG 2.89Å; E1028-G1219 PolarHBondContact OE2-N 2.9Å; E1028-T1221 VanDerWaalsContact CB-C 3.45Å; E1028-T1221 VanDerWaalsContact CB-CB 3.49Å; E1028-T1221 HydrophobicContact CB-CG2 4.17Å; E1028-T1221 WeakPolarHBondContact CB-O 3.27Å; E1028-T1221 VanDerWaalsContact OE2-O 3.06Å; E1028-C1222 VanDerWaalsContact CD-CA 3.44Å; E1028-C1222 WeakPolarHBondContact OE1-CA 3.4Å; E1028-C1222 WeakPolarHBondContact OE1-CB 3.4Å; E1028-R1223 HydrophobicContact CG-CG 4.19Å; E1028-R1223 WeakPolarHBondContact O-CG 3.34Å; E1028-R1223 PolarHBondContact O-NE 2.89Å; E1028-R1223 PolarHBondContact OE1-N 3.42Å | ||
| 1029 | Q | 56.6 | Low | 69.1 | Low | 95 Ų | 95 | 39.9 Ų | 39.9 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -61.1 | 147.9 | 175.2 | -74.8 | 157.2 | 48.7 | 0 | 0 | 108.3 | S1027 I1031 T1221 R1223 | S1027-Q1029 WeakPolarHBondContact O-CG 3.17Å; S1027-Q1029 PolarHBondContact O-N 3.17Å; S1027-Q1029 PolarHBondContact O-NE2 3.22Å; Q1029-I1031 HydrophobicContact CB-CG2 3.71Å; Q1029-I1031 PolarHBondContact O-N 2.97Å; Q1029-I1031 VanDerWaalsContact O-N 3.16Å; Q1029-T1221 PolarHBondContact NE2-OG1 2.8Å; Q1029-R1223 PolarHBondContact O-NH2 3.17Å |
| 1030 | Y | 72.1 | Confident | 68.9 | Low | 103 Ų | 103 | 40.8 Ų | 40.8 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 113.9 | 156.7 | -72.9 | -91.8 | 0 | 0 | 0 | 106 | S1008 C1009 R1223 | S1008-Y1030 CarbonylContact C-O 3.55Å; S1008-Y1030 WeakPolarHBondContact CA-O 3.42Å; S1008-Y1030 WeakPolarHBondContact CB-O 3.5Å; C1009-Y1030 PolarHBondContact N-O 2.98Å; C1009-Y1030 WeakPolarHBondContact O-CB 3.07Å; Y1030-R1223 HydrophobicContact CE2-CG 4.42Å; Y1030-R1223 VanDerWaalsContact CG-NH2 3.32Å |
| 1031 | I | 77.9 | Confident | 68.5 | Low | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.4 | 179 | 60.5 | -150.1 | 0 | 0 | 0 | 110.7 | L1006 Y1007 C1009 C1021 I1022 D1024 Q1029 | L1006-I1031 HydrophobicContact CB-CB 3.95Å; L1006-I1031 HydrophobicContact CB-CD1 3.52Å; L1006-I1031 HydrophobicContact CB-CG1 3.72Å; L1006-I1031 HydrophobicContact CB-CG2 4.43Å; L1006-I1031 HydrophobicContact CD1-CD1 3.68Å; L1006-I1031 HydrophobicContact CD1-CG1 4.42Å; L1006-I1031 HydrophobicContact CD2-CD1 4.33Å; L1006-I1031 HydrophobicContact CD2-CG1 4.17Å; L1006-I1031 HydrophobicContact CG-CD1 4Å; L1006-I1031 HydrophobicContact CG-CG1 4.29Å; Y1007-I1031 CarbonylContact O-C 3.58Å; Y1007-I1031 WeakPolarHBondContact O-CA 3.34Å; Y1007-I1031 WeakPolarHBondContact O-CB 3.15Å; C1009-I1031 WeakPolarHBondContact SG-CA 3.43Å; C1009-I1031 PolarHBondContact SG-N 2.88Å; C1021-I1031 CarbonylContact C-O 3.54Å; C1021-I1031 WeakPolarHBondContact CA-O 3.31Å; I1022-I1031 HydrophobicContact CD1-CD1 3.87Å; I1022-I1031 HydrophobicContact CD1-CG1 3.83Å; I1022-I1031 HydrophobicContact CG1-CD1 3.79Å; I1022-I1031 HydrophobicContact CG1-CG1 3.28Å; I1022-I1031 PolarHBondContact N-O 3.04Å; I1022-I1031 PolarHBondContact O-N 2.9Å; D1024-I1031 HydrophobicContact CB-CD1 3.33Å; D1024-I1031 WeakPolarHBondContact OD2-CD1 3.49Å; Q1029-I1031 HydrophobicContact CB-CG2 3.71Å; Q1029-I1031 PolarHBondContact O-N 2.97Å; Q1029-I1031 VanDerWaalsContact O-N 3.16Å |
| 1032 | C | 80.9 | Confident | 68.1 | Low | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.9 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 110.6 | Y1007 C1015 H1020 G1042 | Y1007-C1032 PolarHBondContact O-N 3.43Å; C1015-C1032 WeakPolarHBondContact CA-SG 3.36Å; C1015-C1032 HydrophobicContact CB-CB 3.7Å; C1015-C1032 WeakPolarHBondContact CB-SG 3.26Å; C1015-C1032 WeakPolarHBondContact SG-CB 3.44Å; C1015-C1032 CovalentContact SG-SG 2.04Å; C1015-C1032 PolarHBondContact SG-SG 3.24Å; H1020-C1032 VanDerWaalsContact O-CA 3.31Å; H1020-C1032 WeakPolarHBondContact O-CA 3.44Å; C1032-G1042 WeakPolarHBondContact CB-O 3.4Å |
| 1033 | E | 77.9 | Confident | 68.2 | Low | 45 Ų | 45 | 46.1 Ų | 46.1 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | trans | -105.2 | 156.1 | 156.4 | 154.9 | 156.9 | -123.7 | 0 | 0 | 109.7 | K1004 L1006 A1019 H1020 I1022 E1249 | K1004-E1033 WeakPolarHBondContact CD-OE1 3.44Å; K1004-E1033 IonicContact NZ-OE1 3.38Å; K1004-E1033 PolarHBondContact NZ-OE1 3.39Å; L1006-E1033 HydrophobicContact CD2-CB 3.76Å; A1019-E1033 CarbonylContact C-O 3.5Å; A1019-E1033 WeakPolarHBondContact CA-O 3.24Å; A1019-E1033 WeakPolarHBondContact CB-O 3.38Å; H1020-E1033 PolarHBondContact N-O 2.9Å; I1022-E1033 HydrophobicContact CG2-CB 4.48Å; E1033-E1249 WeakPolarHBondContact CA-OE1 3.37Å; E1033-E1249 WeakPolarHBondContact CB-OE1 3.43Å; E1033-E1249 WeakPolarHBondContact CG-OE1 3.42Å; E1033-E1249 PolarHBondContact N-OE1 2.68Å; E1033-E1249 PolarHBondContact N-OE2 2.86Å | ||
| 1034 | C | 81.1 | Confident | 68.4 | Low | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 141.7 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | N1018 F1038 K1039 G1040 C1046 | N1018-C1034 WeakPolarHBondContact O-CA 3.48Å; C1034-F1038 HydrophobicContact CB-CB 3.85Å; C1034-F1038 VanDerWaalsContact CB-O 3.28Å; C1034-F1038 WeakPolarHBondContact CB-O 3.15Å; C1034-K1039 VanDerWaalsContact SG-C 3.59Å; C1034-G1040 PolarHBondContact SG-N 2.8Å; C1034-C1046 WeakPolarHBondContact CA-SG 3.37Å; C1034-C1046 HydrophobicContact CB-CB 3.73Å; C1034-C1046 WeakPolarHBondContact CB-SG 3.44Å; C1034-C1046 WeakPolarHBondContact SG-CB 3.42Å; C1034-C1046 CovalentContact SG-SG 2.04Å; C1034-C1046 PolarHBondContact SG-SG 3.21Å |
| 1035 | L | 74.6 | Confident | 69.5 | Low | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 150.7 | 172.1 | -76.8 | 174.7 | 0 | 0 | 0 | 110.9 | N1018 G1037 F1038 | N1018-L1035 HydrophobicContact CB-CD1 4.4Å; N1018-L1035 PolarHBondContact O-N 2.81Å; L1035-G1037 PolarHBondContact O-N 3.36Å; L1035-F1038 HydrophobicContact CB-CD2 3.96Å; L1035-F1038 HydrophobicContact CB-CE2 4.48Å; L1035-F1038 WeakPolarHBondContact O-CB 3.48Å; L1035-F1038 PolarHBondContact O-N 2.83Å |
| 1036 | P | 63.4 | Low | 70.6 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 74% | 0.74 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 127.5 | 173.3 | -29.1 | 36 | 0 | 0 | 0 | 112.5 | ||
| 1037 | G | 60.9 | Low | 71.9 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 46% | 0.464 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -0.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1035 A1049 | L1035-G1037 PolarHBondContact O-N 3.36Å; G1037-A1049 WeakPolarHBondContact O-CB 3.41Å; G1037-A1049 PolarHBondContact O-N 2.77Å |
| 1038 | F | 74.7 | Confident | 72.5 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 25% | 0.254 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.4 | 179.3 | -63.2 | -95.3 | 0 | 0 | 0 | 113.3 | N1018 C1034 L1035 C1046 E1047 P1048 | N1018-F1038 HydrophobicContact CB-CB 4.42Å; N1018-F1038 HydrophobicContact CB-CD1 3.63Å; N1018-F1038 HydrophobicContact CB-CD2 3.92Å; N1018-F1038 HydrophobicContact CB-CE1 3.76Å; N1018-F1038 HydrophobicContact CB-CE2 4.01Å; N1018-F1038 HydrophobicContact CB-CG 3.74Å; N1018-F1038 HydrophobicContact CB-CZ 3.93Å; N1018-F1038 VanDerWaalsContact CG-CE1 3.45Å; N1018-F1038 WeakPolarHBondContact ND2-CE1 3.48Å; C1034-F1038 HydrophobicContact CB-CB 3.85Å; C1034-F1038 VanDerWaalsContact CB-O 3.28Å; C1034-F1038 WeakPolarHBondContact CB-O 3.15Å; L1035-F1038 HydrophobicContact CB-CD2 3.96Å; L1035-F1038 HydrophobicContact CB-CE2 4.48Å; L1035-F1038 WeakPolarHBondContact O-CB 3.48Å; L1035-F1038 PolarHBondContact O-N 2.83Å; F1038-C1046 HydrophobicContact CB-CB 3.97Å; F1038-C1046 WeakPolarHBondContact CD1-O 3.46Å; F1038-E1047 CarbonylContact C-O 3.48Å; F1038-E1047 VanDerWaalsContact CA-O 3.24Å; F1038-E1047 WeakPolarHBondContact CA-O 3.41Å; F1038-E1047 WeakPolarHBondContact CB-O 3.34Å; F1038-E1047 WeakPolarHBondContact CD1-O 3.26Å; F1038-P1048 HydrophobicContact CE1-CG 4.28Å |
| 1039 | K | 67 | Low | 73 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151 | 172.8 | 79.6 | -170.8 | 167.7 | -162.7 | 0 | 111 | C1034 C1046 E1047 A1049 | C1034-K1039 VanDerWaalsContact SG-C 3.59Å; K1039-C1046 CarbonylContact O-C 3.52Å; K1039-C1046 WeakPolarHBondContact O-CA 3.43Å; K1039-E1047 PolarHBondContact N-O 2.79Å; K1039-E1047 PolarHBondContact O-N 3.28Å; K1039-E1047 VanDerWaalsContact O-O 3.08Å; K1039-A1049 HydrophobicContact CB-CB 4.14Å; K1039-A1049 WeakPolarHBondContact CD-O 3.43Å; K1039-A1049 WeakPolarHBondContact CE-O 3.49Å; K1039-A1049 PolarHBondContact NZ-O 2.81Å |
| 1040 | G | 73.8 | Confident | 73.8 | Confident | 34 Ų | 34 | 52.3 Ų | 52.3 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -155.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1034 Y1045 | C1034-G1040 PolarHBondContact SG-N 2.8Å; G1040-Y1045 CarbonylContact C-O 3.57Å; G1040-Y1045 WeakPolarHBondContact CA-O 3.38Å |
| 1041 | D | 70.7 | Confident | 73.7 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | trans | -93.3 | 8.6 | -177.7 | 67.2 | 1.3 | 0 | 0 | 0 | 113.3 | Y1007 R1043 S1044 Y1045 | Y1007-D1041 WeakPolarHBondContact CB-O 3.49Å; Y1007-D1041 HydrophobicContact CD2-CB 3.86Å; Y1007-D1041 WeakPolarHBondContact CD2-O 3.06Å; Y1007-D1041 HydrophobicContact CE1-CB 4.26Å; Y1007-D1041 HydrophobicContact CE2-CB 3.5Å; Y1007-D1041 VanDerWaalsContact CE2-CB 3.5Å; Y1007-D1041 HydrophobicContact CG-CB 4.37Å; Y1007-D1041 VanDerWaalsContact CG-O 3.32Å; D1041-R1043 WeakPolarHBondContact O-CB 3.26Å; D1041-R1043 PolarHBondContact O-N 3.36Å; D1041-R1043 PolarHBondContact OD1-N 2.89Å; D1041-S1044 WeakPolarHBondContact OD1-CA 3.25Å; D1041-S1044 PolarHBondContact OD1-N 3.01Å; D1041-S1044 WeakPolarHBondContact OD2-CB 3.26Å; D1041-S1044 PolarHBondContact OD2-N 2.94Å; D1041-S1044 PolarHBondContact OD2-OG 3.24Å; D1041-Y1045 HydrophobicContact CB-CD1 4.24Å; D1041-Y1045 HydrophobicContact CB-CE1 3.88Å; D1041-Y1045 VanDerWaalsContact CG-CD1 3.5Å; D1041-Y1045 PolarHBondContact N-O 2.97Å; D1041-Y1045 WeakPolarHBondContact OD1-CD1 3.28Å; D1041-Y1045 PolarHBondContact OD1-N 2.89Å; D1041-Y1045 VanDerWaalsContact OD1-O 3.07Å | ||
| 1042 | G | 72.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 71.3 | -18.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1015 H1016 A1019 C1032 C1046 | C1015-G1042 WeakPolarHBondContact CB-O 3.25Å; H1016-G1042 PolarHBondContact N-O 3.3Å; A1019-G1042 WeakPolarHBondContact CB-O 3.21Å; C1032-G1042 WeakPolarHBondContact CB-O 3.4Å; G1042-C1046 WeakPolarHBondContact CA-SG 3.48Å |
| 1043 | R | 79.4 | Confident | 73 | Confident | 121 Ų | 121 | 56.7 Ų | 56.7 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -128.4 | -53.9 | -152.3 | -167.9 | 179.4 | -177.9 | -120.4 | -3.4 | 113.9 | S1008 D1014 H1016 D1041 | S1008-R1043 PolarHBondContact O-NE 2.87Å; D1014-R1043 WeakPolarHBondContact O-CG 3.08Å; H1016-R1043 PolarHBondContact N-O 2.81Å; D1041-R1043 WeakPolarHBondContact O-CB 3.26Å; D1041-R1043 PolarHBondContact O-N 3.36Å; D1041-R1043 PolarHBondContact OD1-N 2.89Å |
| 1044 | S | 75.6 | Confident | 72.2 | Confident | 85 Ų | 85 | 58 Ų | 58 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -93.3 | -33.9 | 176.4 | -28.1 | 0 | 0 | 0 | 0 | 111.1 | D1041 | D1041-S1044 WeakPolarHBondContact OD1-CA 3.25Å; D1041-S1044 PolarHBondContact OD1-N 3.01Å; D1041-S1044 WeakPolarHBondContact OD2-CB 3.26Å; D1041-S1044 PolarHBondContact OD2-N 2.94Å; D1041-S1044 PolarHBondContact OD2-OG 3.24Å |
| 1045 | Y | 80.4 | Confident | 71.1 | Confident | 109 Ų | 109 | 62 Ų | 62 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | trans | -151.7 | 135.9 | 178.1 | 74.6 | -70.2 | 0 | 0 | 0 | 111.5 | G1040 D1041 E1047 | G1040-Y1045 CarbonylContact C-O 3.57Å; G1040-Y1045 WeakPolarHBondContact CA-O 3.38Å; D1041-Y1045 HydrophobicContact CB-CD1 4.24Å; D1041-Y1045 HydrophobicContact CB-CE1 3.88Å; D1041-Y1045 VanDerWaalsContact CG-CD1 3.5Å; D1041-Y1045 PolarHBondContact N-O 2.97Å; D1041-Y1045 WeakPolarHBondContact OD1-CD1 3.28Å; D1041-Y1045 PolarHBondContact OD1-N 2.89Å; D1041-Y1045 VanDerWaalsContact OD1-O 3.07Å; Y1045-E1047 HydrophobicContact CD2-CB 4.5Å; Y1045-E1047 HydrophobicContact CD2-CG 4.02Å | ||
| 1046 | C | 80.3 | Confident | 70.2 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 95.8 | 156.6 | -71.3 | 0 | 0 | 0 | 0 | 106.2 | H1016 N1018 C1034 F1038 K1039 G1042 | H1016-C1046 HydrophobicContact CB-CB 4.21Å; H1016-C1046 PolarHBondContact CE1-N 3.05Å; H1016-C1046 PolarHBondContact CE1-O 2.86Å; H1016-C1046 VanDerWaalsContact CE1-O 3.32Å; H1016-C1046 VanDerWaalsContact CG-N 3.26Å; H1016-C1046 WeakPolarHBondContact ND1-CB 3.46Å; H1016-C1046 PolarHBondContact ND1-N 2.87Å; H1016-C1046 VanDerWaalsContact ND1-N 3.13Å; N1018-C1046 HydrophobicContact CB-CB 3.97Å; N1018-C1046 PolarHBondContact ND2-O 3.39Å; N1018-C1046 VanDerWaalsContact ND2-O 3.15Å; N1018-C1046 VanDerWaalsContact O-CB 3.29Å; N1018-C1046 WeakPolarHBondContact O-CB 3.29Å; C1034-C1046 WeakPolarHBondContact CA-SG 3.37Å; C1034-C1046 HydrophobicContact CB-CB 3.73Å; C1034-C1046 WeakPolarHBondContact CB-SG 3.44Å; C1034-C1046 WeakPolarHBondContact SG-CB 3.42Å; C1034-C1046 CovalentContact SG-SG 2.04Å; C1034-C1046 PolarHBondContact SG-SG 3.21Å; F1038-C1046 HydrophobicContact CB-CB 3.97Å; F1038-C1046 WeakPolarHBondContact CD1-O 3.46Å; K1039-C1046 CarbonylContact O-C 3.52Å; K1039-C1046 WeakPolarHBondContact O-CA 3.43Å; G1042-C1046 WeakPolarHBondContact CA-SG 3.48Å |
| 1047 | E | 77.4 | Confident | 69.6 | Low | 117 Ų | 117 | 63.1 Ų | 63.1 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 157.8 | 171.6 | -75.4 | 175.8 | 160.6 | 0 | 0 | 108.9 | F1038 K1039 Y1045 A1049 | F1038-E1047 CarbonylContact C-O 3.48Å; F1038-E1047 VanDerWaalsContact CA-O 3.24Å; F1038-E1047 WeakPolarHBondContact CA-O 3.41Å; F1038-E1047 WeakPolarHBondContact CB-O 3.34Å; F1038-E1047 WeakPolarHBondContact CD1-O 3.26Å; K1039-E1047 PolarHBondContact N-O 2.79Å; K1039-E1047 PolarHBondContact O-N 3.28Å; K1039-E1047 VanDerWaalsContact O-O 3.08Å; Y1045-E1047 HydrophobicContact CD2-CB 4.5Å; Y1045-E1047 HydrophobicContact CD2-CG 4.02Å; E1047-A1049 PolarHBondContact O-N 2.95Å |
| 1048 | P | 69.1 | Low | 69.3 | Low | 78 Ų | 78 | 69.2 Ų | 69.2 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.8 | 133.4 | 168.7 | -26.7 | 35.9 | 0 | 0 | 0 | 110 | F1038 D1050 | F1038-P1048 HydrophobicContact CE1-CG 4.28Å; P1048-D1050 PolarHBondContact O-N 2.97Å |
| 1049 | A | 67.2 | Low | 68.5 | Low | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -58.4 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | G1037 K1039 E1047 A1075 | G1037-A1049 WeakPolarHBondContact O-CB 3.41Å; G1037-A1049 PolarHBondContact O-N 2.77Å; K1039-A1049 HydrophobicContact CB-CB 4.14Å; K1039-A1049 WeakPolarHBondContact CD-O 3.43Å; K1039-A1049 WeakPolarHBondContact CE-O 3.49Å; K1039-A1049 PolarHBondContact NZ-O 2.81Å; E1047-A1049 PolarHBondContact O-N 2.95Å; A1049-A1075 HydrophobicContact CB-CB 3.94Å; A1049-A1075 WeakPolarHBondContact O-CB 3.49Å |
| 1050 | D | 72.4 | Confident | 68.4 | Low | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | trans | -80.8 | 124.9 | -169.3 | -56.6 | -33.5 | 0 | 0 | 0 | 113 | P1048 Y1076 | P1048-D1050 PolarHBondContact O-N 2.97Å; D1050-Y1076 CarbonylContact C-O 3.59Å; D1050-Y1076 WeakPolarHBondContact CA-O 3.44Å; D1050-Y1076 HydrophobicContact CB-CD2 4.46Å; D1050-Y1076 WeakPolarHBondContact OD1-CD2 3.37Å; D1050-Y1076 PolarHBondContact OD1-N 3Å | ||
| 1051 | E | 70.8 | Confident | 68.5 | Low | 86 Ų | 86 | 72.9 Ų | 72.9 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -76.7 | -15.1 | 168.2 | -52.2 | -156 | 156.3 | 0 | 0 | 112.5 | Y1076 K1089 | E1051-Y1076 PolarHBondContact N-O 2.79Å; E1051-K1089 IonicContact OE1-NZ 2.7Å; E1051-K1089 IonicContact OE2-NZ 3.18Å; E1051-K1089 PolarHBondContact OE2-NZ 2.92Å |
| 1052 | C | 76.5 | Confident | 68.6 | Low | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -157.2 | 147.3 | -175.4 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | C1061 C1067 Y1076 | C1052-C1061 VanDerWaalsContact CB-SG 3.54Å; C1052-C1061 VanDerWaalsContact SG-SG 3.61Å; C1052-C1067 HydrophobicContact CB-CB 3.82Å; C1052-C1067 WeakPolarHBondContact CB-SG 3.45Å; C1052-C1067 PolarHBondContact O-SG 3.17Å; C1052-C1067 WeakPolarHBondContact SG-CA 3.43Å; C1052-C1067 WeakPolarHBondContact SG-CB 3.49Å; C1052-C1067 CovalentContact SG-SG 2.03Å; C1052-C1067 PolarHBondContact SG-SG 2.98Å; C1052-Y1076 WeakPolarHBondContact O-CB 3.33Å |
| 1053 | N | 68.3 | Low | 68.7 | Low | 103 Ų | 103 | 79.6 Ų | 79.6 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | trans | -101.1 | 131.4 | 179.2 | -70.9 | 19.6 | 0 | 0 | 0 | 110.9 | G1055 A1056 | N1053-G1055 PolarHBondContact O-N 3.28Å; N1053-A1056 HydrophobicContact CB-CB 3.81Å; N1053-A1056 WeakPolarHBondContact O-CB 3.36Å; N1053-A1056 PolarHBondContact O-N 3.44Å; N1053-A1056 VanDerWaalsContact O-N 3.14Å | ||
| 1054 | P | 60 | Low | 68.8 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 47% | 0.474 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 131.1 | 168.4 | -24.8 | 33.6 | 0 | 0 | 0 | 111.5 | A1056 Y1076 | P1054-A1056 PolarHBondContact O-N 3.31Å; P1054-Y1076 HydrophobicContact CG-CD1 3.69Å; P1054-Y1076 HydrophobicContact CG-CD2 3.82Å; P1054-Y1076 HydrophobicContact CG-CE1 3.43Å; P1054-Y1076 VanDerWaalsContact CG-CE1 3.43Å; P1054-Y1076 HydrophobicContact CG-CE2 3.57Å; P1054-Y1076 HydrophobicContact CG-CG 3.9Å |
| 1055 | G | 58.4 | Low | 69 | Low | 91 Ų | 91 | 73.7 Ų | 73.7 | 94% | 0.938 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -0.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1053 | N1053-G1055 PolarHBondContact O-N 3.28Š|
| 1056 | A | 55 | Low | 69 | Low | 63 Ų | 63 | 69.8 Ų | 69.8 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -78.6 | 126.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1053 P1054 H1058 | N1053-A1056 HydrophobicContact CB-CB 3.81Å; N1053-A1056 WeakPolarHBondContact O-CB 3.36Å; N1053-A1056 PolarHBondContact O-N 3.44Å; N1053-A1056 VanDerWaalsContact O-N 3.14Å; P1054-A1056 PolarHBondContact O-N 3.31Å; A1056-H1058 PolarHBondContact O-N 3.37Å |
| 1057 | D | 51.9 | Low | 69 | Low | 115 Ų | 115 | 71.9 Ų | 71.9 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | trans | -64.1 | 99.2 | -170.7 | -158.8 | -4.3 | 0 | 0 | 0 | 111.7 | N1059 | D1057-N1059 PolarHBondContact O-N 2.77Å; D1057-N1059 PolarHBondContact O-ND2 3.43Å | ||
| 1058 | H | 53.4 | Low | 69 | Low | 173 Ų | 173 | 66.3 Ų | 66.3 | 80% | 0.801 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 49.7 | 2.1 | 166.9 | -76 | -69.3 | 0 | 0 | 0 | 121.2 | A1056 G1060 | A1056-H1058 PolarHBondContact O-N 3.37Å; H1058-G1060 PolarHBondContact O-N 2.83Å |
| 1059 | N | 57.7 | Low | 69.2 | Low | 165 Ų | 165 | 65.3 Ų | 65.3 | 88% | 0.882 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -90.5 | 7.9 | -167.9 | -75.4 | -68 | 0 | 0 | 0 | 116.8 | D1057 | D1057-N1059 PolarHBondContact O-N 2.77Å; D1057-N1059 PolarHBondContact O-ND2 3.43Å |
| 1060 | G | 65.3 | Low | 69.1 | Low | 37 Ų | 37 | 66 Ų | 66 | 38% | 0.381 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -111.3 | -42.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | H1058 | H1058-G1060 PolarHBondContact O-N 2.83Š|
| 1061 | C | 75.4 | Confident | 68.6 | Low | 33 Ų | 33 | 66.7 Ų | 66.7 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -110.3 | 164.3 | -169.7 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | C1052 A1065 C1078 | C1052-C1061 VanDerWaalsContact CB-SG 3.54Å; C1052-C1061 VanDerWaalsContact SG-SG 3.61Å; C1061-A1065 HydrophobicContact CB-CB 3.98Å; C1061-C1078 WeakPolarHBondContact CA-SG 3.42Å; C1061-C1078 HydrophobicContact CB-CB 3.63Å; C1061-C1078 WeakPolarHBondContact CB-SG 3.38Å; C1061-C1078 VanDerWaalsContact SG-CA 3.5Å; C1061-C1078 WeakPolarHBondContact SG-CB 3.5Å; C1061-C1078 CovalentContact SG-SG 2.04Å; C1061-C1078 PolarHBondContact SG-SG 2.82Å |
| 1062 | G | 74.1 | Confident | 67.8 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | trans | -65.5 | 162.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1064 A1065 G1088 K1089 | G1062-H1064 PolarHBondContact O-N 3.05Å; G1062-A1065 WeakPolarHBondContact O-CB 3.29Å; G1062-A1065 PolarHBondContact O-N 3.25Å; G1062-G1088 PolarHBondContact N-O 2.88Å; G1062-K1089 VanDerWaalsContact CA-O 3.28Å; G1062-K1089 WeakPolarHBondContact CA-O 3.17Å | ||
| 1063 | L | 75.2 | Confident | 67 | Low | 142 Ų | 142 | 70.2 Ų | 70.2 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 133.1 | 166.8 | -165.7 | 74.8 | 0 | 0 | 0 | 108.6 | A1065 | L1063-A1065 VanDerWaalsContact C-N 3.29Š|
| 1064 | H | 80.6 | Confident | 66.6 | Low | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 26.1 | -170.2 | -45.1 | -81.8 | 0 | 0 | 0 | 114.8 | G1062 M1081 Y1084 C1091 | G1062-H1064 PolarHBondContact O-N 3.05Å; H1064-M1081 WeakPolarHBondContact O-CB 3.3Å; H1064-M1081 WeakPolarHBondContact O-CG 3.48Å; H1064-M1081 PolarHBondContact O-N 2.56Å; H1064-Y1084 HydrophobicContact CB-CD1 3.62Å; H1064-Y1084 HydrophobicContact CB-CD2 4.05Å; H1064-Y1084 HydrophobicContact CB-CE1 3.71Å; H1064-Y1084 HydrophobicContact CB-CE2 4.15Å; H1064-Y1084 HydrophobicContact CB-CG 3.82Å; H1064-Y1084 AromaticContact CD2-CE1 3.58Å; H1064-Y1084 AromaticContact CE1-CZ 3.83Å; H1064-Y1084 PolarHBondContact CE1-OH 2.77Å; H1064-Y1084 AromaticContact CG-CD1 3.83Å; H1064-Y1084 AromaticContact CG-CE1 3.37Å; H1064-Y1084 AromaticContact CG-CZ 3.57Å; H1064-Y1084 AromaticContact ND1-CE1 3.67Å; H1064-Y1084 AromaticContact ND1-CE2 3.96Å; H1064-Y1084 AromaticContact ND1-CZ 3.38Å; H1064-Y1084 PolarHBondContact ND1-OH 3.2Å; H1064-C1091 HydrophobicContact CB-CB 4.25Å |
| 1065 | A | 80.2 | Confident | 66.7 | Low | 12 Ų | 12 | 67.5 Ų | 67.5 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1061 G1062 L1063 Q1079 M1081 G1088 | C1061-A1065 HydrophobicContact CB-CB 3.98Å; G1062-A1065 WeakPolarHBondContact O-CB 3.29Å; G1062-A1065 PolarHBondContact O-N 3.25Å; L1063-A1065 VanDerWaalsContact C-N 3.29Å; A1065-Q1079 CarbonylContact C-O 3.37Å; A1065-Q1079 WeakPolarHBondContact CA-O 3.11Å; A1065-Q1079 WeakPolarHBondContact CB-O 3.19Å; A1065-M1081 VanDerWaalsContact O-CE 3.29Å; A1065-M1081 WeakPolarHBondContact O-CE 3.39Å; A1065-G1088 WeakPolarHBondContact CB-O 3.29Å |
| 1066 | A | 79.2 | Confident | 67.6 | Low | 27 Ų | 27 | 66.6 Ų | 66.6 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 154.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | C1078 Q1079 | A1066-C1078 WeakPolarHBondContact O-CA 3.42Å; A1066-Q1079 PolarHBondContact N-O 3.44Å; A1066-Q1079 PolarHBondContact O-N 2.83Å |
| 1067 | C | 81.4 | Confident | 68.5 | Low | 46 Ų | 46 | 64.4 Ų | 64.4 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.4 | 164 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | C1052 | C1052-C1067 HydrophobicContact CB-CB 3.82Å; C1052-C1067 WeakPolarHBondContact CB-SG 3.45Å; C1052-C1067 PolarHBondContact O-SG 3.17Å; C1052-C1067 WeakPolarHBondContact SG-CA 3.43Å; C1052-C1067 WeakPolarHBondContact SG-CB 3.49Å; C1052-C1067 CovalentContact SG-SG 2.03Å; C1052-C1067 PolarHBondContact SG-SG 2.98Å |
| 1068 | S | 76.7 | Confident | 70 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143.8 | -163.6 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | C10 S1070 Y1076 T1077 Q1079 | C10-S1068 WeakPolarHBondContact O-CA 3.24Å; C10-S1068 WeakPolarHBondContact O-CB 3Å; S1068-S1070 PolarHBondContact O-N 2.91Å; S1068-Y1076 CarbonylContact O-C 3.56Å; S1068-Y1076 WeakPolarHBondContact O-CA 3.49Å; S1068-T1077 PolarHBondContact N-O 3.17Å; S1068-T1077 PolarHBondContact O-N 2.86Å; S1068-T1077 PolarHBondContact O-OG1 3.13Å; S1068-T1077 PolarHBondContact OG-O 2.94Å; S1068-Q1079 WeakPolarHBondContact OG-CB 3.24Å; S1068-Q1079 VanDerWaalsContact OG-CG 3.23Å; S1068-Q1079 WeakPolarHBondContact OG-CG 3.34Å; S1068-Q1079 PolarHBondContact OG-OE1 3.06Å |
| 1069 | Y | 74 | Confident | 71.1 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.7 | 177.8 | -164.5 | -96.3 | 0 | 0 | 0 | 109.6 | C10 D1071 Q1074 Y1076 | C10-Y1069 PolarHBondContact O-N 2.77Å; C10-Y1069 VanDerWaalsContact O-N 3.14Å; Y1069-D1071 WeakPolarHBondContact CD1-OD1 3.22Å; Y1069-Q1074 WeakPolarHBondContact OH-CA 3.44Å; Y1069-Q1074 PolarHBondContact OH-OE1 2.98Å; Y1069-Y1076 HydrophobicContact CD2-CD1 4.21Å; Y1069-Y1076 HydrophobicContact CD2-CD2 4.42Å; Y1069-Y1076 HydrophobicContact CD2-CE1 4.04Å; Y1069-Y1076 HydrophobicContact CD2-CE2 4.26Å; Y1069-Y1076 HydrophobicContact CD2-CG 4.38Å; Y1069-Y1076 HydrophobicContact CG-CE1 4.42Å |
| 1070 | S | 65.6 | Low | 72.4 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.5 | -179.7 | 161.3 | 0 | 0 | 0 | 0 | 109.3 | S1068 A1072 T1073 Q1074 A1075 T1077 | S1068-S1070 PolarHBondContact O-N 2.91Å; S1070-A1072 PolarHBondContact O-N 3.09Å; S1070-T1073 WeakPolarHBondContact CB-OG1 3.16Å; S1070-T1073 CarbonylContact O-C 3.55Å; S1070-T1073 PolarHBondContact O-N 3.1Å; S1070-T1073 PolarHBondContact O-OG1 3.4Å; S1070-T1073 PolarHBondContact OG-OG1 3.43Å; S1070-Q1074 PolarHBondContact O-N 3.02Å; S1070-A1075 PolarHBondContact N-O 2.86Å; S1070-A1075 PolarHBondContact O-N 3.5Å; S1070-T1077 WeakPolarHBondContact CB-OG1 3.26Å |
| 1071 | D | 60.7 | Low | 73 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -56.2 | -38.6 | 179 | -66.2 | 7.8 | 0 | 0 | 0 | 112.3 | A13 Y1069 T1073 Q1074 | A13-D1071 WeakPolarHBondContact CA-OD1 3.49Å; A13-D1071 WeakPolarHBondContact CA-OD2 3.35Å; A13-D1071 PolarHBondContact N-OD1 3.27Å; A13-D1071 PolarHBondContact N-OD2 3.42Å; Y1069-D1071 WeakPolarHBondContact CD1-OD1 3.22Å; D1071-T1073 PolarHBondContact O-N 2.79Å; D1071-T1073 VanDerWaalsContact O-N 3.07Å; D1071-Q1074 PolarHBondContact O-N 3.48Å; D1071-Q1074 PolarHBondContact O-NE2 3.22Å |
| 1072 | A | 54.1 | Low | 72.8 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 84% | 0.835 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -63.1 | -11.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1070 | S1070-A1072 PolarHBondContact O-N 3.09Š|
| 1073 | T | 58.9 | Low | 72.4 | Confident | 68 Ų | 68 | 56.8 Ų | 56.8 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -129.2 | -4.1 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | S1070 D1071 A1075 T1077 | S1070-T1073 WeakPolarHBondContact CB-OG1 3.16Å; S1070-T1073 CarbonylContact O-C 3.55Å; S1070-T1073 PolarHBondContact O-N 3.1Å; S1070-T1073 PolarHBondContact O-OG1 3.4Å; S1070-T1073 PolarHBondContact OG-OG1 3.43Å; D1071-T1073 PolarHBondContact O-N 2.79Å; D1071-T1073 VanDerWaalsContact O-N 3.07Å; T1073-A1075 VanDerWaalsContact C-N 3.26Å; T1073-A1075 PolarHBondContact O-N 3.16Å; T1073-T1077 WeakPolarHBondContact OG1-CG2 3.46Å |
| 1074 | Q | 60.4 | Low | 72.6 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 46.2 | -172.7 | -64.2 | -66.6 | -64.8 | 0 | 0 | 113.1 | Y1069 S1070 D1071 | Y1069-Q1074 WeakPolarHBondContact OH-CA 3.44Å; Y1069-Q1074 PolarHBondContact OH-OE1 2.98Å; S1070-Q1074 PolarHBondContact O-N 3.02Å; D1071-Q1074 PolarHBondContact O-N 3.48Å; D1071-Q1074 PolarHBondContact O-NE2 3.22Å |
| 1075 | A | 62.9 | Low | 71.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 153 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1049 S1070 T1073 T1077 | A1049-A1075 HydrophobicContact CB-CB 3.94Å; A1049-A1075 WeakPolarHBondContact O-CB 3.49Å; S1070-A1075 PolarHBondContact N-O 2.86Å; S1070-A1075 PolarHBondContact O-N 3.5Å; T1073-A1075 VanDerWaalsContact C-N 3.26Å; T1073-A1075 PolarHBondContact O-N 3.16Å; A1075-T1077 HydrophobicContact CB-CG2 4.44Å; A1075-T1077 PolarHBondContact O-N 3.34Å |
| 1076 | Y | 75.9 | Confident | 71.7 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 29% | 0.286 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.4 | 161.9 | -68.5 | -71.1 | 0 | 0 | 0 | 110.5 | D1050 E1051 C1052 P1054 S1068 Y1069 | D1050-Y1076 CarbonylContact C-O 3.59Å; D1050-Y1076 WeakPolarHBondContact CA-O 3.44Å; D1050-Y1076 HydrophobicContact CB-CD2 4.46Å; D1050-Y1076 WeakPolarHBondContact OD1-CD2 3.37Å; D1050-Y1076 PolarHBondContact OD1-N 3Å; E1051-Y1076 PolarHBondContact N-O 2.79Å; C1052-Y1076 WeakPolarHBondContact O-CB 3.33Å; P1054-Y1076 HydrophobicContact CG-CD1 3.69Å; P1054-Y1076 HydrophobicContact CG-CD2 3.82Å; P1054-Y1076 HydrophobicContact CG-CE1 3.43Å; P1054-Y1076 VanDerWaalsContact CG-CE1 3.43Å; P1054-Y1076 HydrophobicContact CG-CE2 3.57Å; P1054-Y1076 HydrophobicContact CG-CG 3.9Å; S1068-Y1076 CarbonylContact O-C 3.56Å; S1068-Y1076 WeakPolarHBondContact O-CA 3.49Å; Y1069-Y1076 HydrophobicContact CD2-CD1 4.21Å; Y1069-Y1076 HydrophobicContact CD2-CD2 4.42Å; Y1069-Y1076 HydrophobicContact CD2-CE1 4.04Å; Y1069-Y1076 HydrophobicContact CD2-CE2 4.26Å; Y1069-Y1076 HydrophobicContact CD2-CG 4.38Å; Y1069-Y1076 HydrophobicContact CG-CE1 4.42Å |
| 1077 | T | 73.9 | Confident | 71.5 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 161.1 | -177.8 | 59 | 0 | 0 | 0 | 0 | 109.9 | S1068 S1070 T1073 A1075 | S1068-T1077 PolarHBondContact N-O 3.17Å; S1068-T1077 PolarHBondContact O-N 2.86Å; S1068-T1077 PolarHBondContact O-OG1 3.13Å; S1068-T1077 PolarHBondContact OG-O 2.94Å; S1070-T1077 WeakPolarHBondContact CB-OG1 3.26Å; T1073-T1077 WeakPolarHBondContact OG1-CG2 3.46Å; A1075-T1077 HydrophobicContact CB-CG2 4.44Å; A1075-T1077 PolarHBondContact O-N 3.34Å |
| 1078 | C | 84.6 | Confident | 71.1 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.081 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.9 | 172.3 | -59.8 | 0 | 0 | 0 | 0 | 110 | C1061 A1066 G1088 | C1061-C1078 WeakPolarHBondContact CA-SG 3.42Å; C1061-C1078 HydrophobicContact CB-CB 3.63Å; C1061-C1078 WeakPolarHBondContact CB-SG 3.38Å; C1061-C1078 VanDerWaalsContact SG-CA 3.5Å; C1061-C1078 WeakPolarHBondContact SG-CB 3.5Å; C1061-C1078 CovalentContact SG-SG 2.04Å; C1061-C1078 PolarHBondContact SG-SG 2.82Å; A1066-C1078 WeakPolarHBondContact O-CA 3.42Å; C1078-G1088 WeakPolarHBondContact CB-O 3.49Å; C1078-G1088 VanDerWaalsContact O-CA 3.3Å; C1078-G1088 WeakPolarHBondContact O-CA 3.48Å |
| 1079 | Q | 77 | Confident | 71.2 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.7 | 177.1 | -65.8 | 172.3 | -2.6 | 0 | 0 | 110 | A1065 A1066 S1068 | A1065-Q1079 CarbonylContact C-O 3.37Å; A1065-Q1079 WeakPolarHBondContact CA-O 3.11Å; A1065-Q1079 WeakPolarHBondContact CB-O 3.19Å; A1066-Q1079 PolarHBondContact N-O 3.44Å; A1066-Q1079 PolarHBondContact O-N 2.83Å; S1068-Q1079 WeakPolarHBondContact OG-CB 3.24Å; S1068-Q1079 VanDerWaalsContact OG-CG 3.23Å; S1068-Q1079 WeakPolarHBondContact OG-CG 3.34Å; S1068-Q1079 PolarHBondContact OG-OE1 3.06Å |
| 1080 | C | 83.3 | Confident | 71.4 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.3 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | Y1084 G1086 C1091 | C1080-Y1084 WeakPolarHBondContact CB-O 3.24Å; C1080-G1086 VanDerWaalsContact SG-CA 3.55Å; C1080-C1091 WeakPolarHBondContact CA-SG 3.4Å; C1080-C1091 HydrophobicContact CB-CB 3.83Å; C1080-C1091 WeakPolarHBondContact CB-SG 3.38Å; C1080-C1091 WeakPolarHBondContact SG-CB 3.27Å; C1080-C1091 CovalentContact SG-SG 2.04Å; C1080-C1091 PolarHBondContact SG-SG 2.82Å |
| 1081 | M | 79 | Confident | 72.1 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 153.1 | 177.9 | -63.7 | 176.1 | -174.5 | 0 | 0 | 110.8 | F6 H1064 A1065 G1083 Y1084 | F6-M1081 HydrophobicContact CD1-CE 4.43Å; F6-M1081 HydrophobicContact CE1-CE 3.96Å; F6-M1081 HydrophobicContact CE1-SD 3.94Å; F6-M1081 HydrophobicContact CZ-CE 4.19Å; F6-M1081 HydrophobicContact CZ-SD 3.96Å; H1064-M1081 WeakPolarHBondContact O-CB 3.3Å; H1064-M1081 WeakPolarHBondContact O-CG 3.48Å; H1064-M1081 PolarHBondContact O-N 2.56Å; A1065-M1081 VanDerWaalsContact O-CE 3.29Å; A1065-M1081 WeakPolarHBondContact O-CE 3.39Å; M1081-G1083 PolarHBondContact O-N 2.81Å; M1081-Y1084 WeakPolarHBondContact O-CB 3.43Å; M1081-Y1084 PolarHBondContact O-N 2.92Å |
| 1082 | Q | 70.9 | Confident | 72.9 | Confident | 173 Ų | 173 | 63.7 Ų | 63.7 | 81% | 0.808 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 126.4 | -179.5 | -165.3 | 178.7 | 31.8 | 0 | 0 | 111.9 | ||
| 1083 | G | 66.8 | Low | 73.4 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -0.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M1081 E1094 | M1081-G1083 PolarHBondContact O-N 2.81Å; G1083-E1094 PolarHBondContact O-N 3.29Å |
| 1084 | Y | 79.4 | Confident | 73 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 26% | 0.255 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137 | 175.4 | -61.8 | -107.2 | 0 | 0 | 0 | 111.3 | H1064 C1080 M1081 T1092 E1093 | H1064-Y1084 HydrophobicContact CB-CD1 3.62Å; H1064-Y1084 HydrophobicContact CB-CD2 4.05Å; H1064-Y1084 HydrophobicContact CB-CE1 3.71Å; H1064-Y1084 HydrophobicContact CB-CE2 4.15Å; H1064-Y1084 HydrophobicContact CB-CG 3.82Å; H1064-Y1084 AromaticContact CD2-CE1 3.58Å; H1064-Y1084 AromaticContact CE1-CZ 3.83Å; H1064-Y1084 PolarHBondContact CE1-OH 2.77Å; H1064-Y1084 AromaticContact CG-CD1 3.83Å; H1064-Y1084 AromaticContact CG-CE1 3.37Å; H1064-Y1084 AromaticContact CG-CZ 3.57Å; H1064-Y1084 AromaticContact ND1-CE1 3.67Å; H1064-Y1084 AromaticContact ND1-CE2 3.96Å; H1064-Y1084 AromaticContact ND1-CZ 3.38Å; H1064-Y1084 PolarHBondContact ND1-OH 3.2Å; C1080-Y1084 WeakPolarHBondContact CB-O 3.24Å; M1081-Y1084 WeakPolarHBondContact O-CB 3.43Å; M1081-Y1084 PolarHBondContact O-N 2.92Å; Y1084-T1092 CarbonylContact C-O 3.51Å; Y1084-T1092 VanDerWaalsContact CA-O 3.29Å; Y1084-T1092 WeakPolarHBondContact CA-O 3.32Å; Y1084-E1093 HydrophobicContact CE1-CB 4.46Å |
| 1085 | T | 65.4 | Low | 72.4 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.9 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 110.9 | C1091 T1092 E1094 | T1085-C1091 CarbonylContact O-C 3.55Å; T1085-C1091 WeakPolarHBondContact O-CA 3.14Å; T1085-T1092 PolarHBondContact N-O 2.67Å; T1085-T1092 PolarHBondContact O-N 2.99Å; T1085-T1092 PolarHBondContact O-OG1 3.01Å; T1085-T1092 PolarHBondContact OG1-O 2.04Å; T1085-E1094 HydrophobicContact CG2-CB 4.03Å; T1085-E1094 HydrophobicContact CG2-CG 3.67Å; T1085-E1094 WeakPolarHBondContact CG2-OE1 3.28Å |
| 1086 | G | 76.2 | Confident | 71.6 | Confident | 53 Ų | 53 | 75 Ų | 75 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -170.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C1080 T1090 | C1080-G1086 VanDerWaalsContact SG-CA 3.55Å; G1086-T1090 VanDerWaalsContact CA-O 3.22Å; G1086-T1090 WeakPolarHBondContact CA-O 3.27Å |
| 1087 | D | 73.6 | Confident | 70.5 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -99.2 | 21 | -179.9 | 68.3 | -8.4 | 0 | 0 | 0 | 113.2 | K1089 T1090 | D1087-K1089 PolarHBondContact O-N 3.23Å; D1087-K1089 PolarHBondContact OD1-N 2.96Å; D1087-K1089 VanDerWaalsContact OD1-N 3.09Å; D1087-T1090 WeakPolarHBondContact OD1-CA 3.36Å; D1087-T1090 WeakPolarHBondContact OD1-CB 3.34Å; D1087-T1090 PolarHBondContact OD1-N 2.97Å; D1087-T1090 PolarHBondContact OD1-OG1 2.86Å; D1087-T1090 PolarHBondContact OD2-OG1 2.86Å |
| 1088 | G | 74.3 | Confident | 69.9 | Low | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | S | Bend | trans | 71.7 | -17.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1062 A1065 C1078 | G1062-G1088 PolarHBondContact N-O 2.88Å; A1065-G1088 WeakPolarHBondContact CB-O 3.29Å; C1078-G1088 WeakPolarHBondContact CB-O 3.49Å; C1078-G1088 VanDerWaalsContact O-CA 3.3Å; C1078-G1088 WeakPolarHBondContact O-CA 3.48Å |
| 1089 | K | 78.2 | Confident | 69.8 | Low | 107 Ų | 107 | 80.2 Ų | 80.2 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -104 | -20.2 | 175.4 | -71.4 | 157.6 | -171.4 | 151.6 | 0 | 111.2 | E1051 G1062 D1087 | E1051-K1089 IonicContact OE1-NZ 2.7Å; E1051-K1089 IonicContact OE2-NZ 3.18Å; E1051-K1089 PolarHBondContact OE2-NZ 2.92Å; G1062-K1089 VanDerWaalsContact CA-O 3.28Å; G1062-K1089 WeakPolarHBondContact CA-O 3.17Å; D1087-K1089 PolarHBondContact O-N 3.23Å; D1087-K1089 PolarHBondContact OD1-N 2.96Å; D1087-K1089 VanDerWaalsContact OD1-N 3.09Å |
| 1090 | T | 78.9 | Confident | 69.8 | Low | 90 Ų | 90 | 79.8 Ų | 79.8 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -141.7 | 85 | -174.1 | -28.8 | 0 | 0 | 0 | 0 | 109.8 | G1086 D1087 | G1086-T1090 VanDerWaalsContact CA-O 3.22Å; G1086-T1090 WeakPolarHBondContact CA-O 3.27Å; D1087-T1090 WeakPolarHBondContact OD1-CA 3.36Å; D1087-T1090 WeakPolarHBondContact OD1-CB 3.34Å; D1087-T1090 PolarHBondContact OD1-N 2.97Å; D1087-T1090 PolarHBondContact OD1-OG1 2.86Å; D1087-T1090 PolarHBondContact OD2-OG1 2.86Å |
| 1091 | C | 80.4 | Confident | 69.2 | Low | 18 Ų | 18 | 83.2 Ų | 83.2 | 12% | 0.122 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.1 | -177.1 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | H1064 C1080 T1085 | H1064-C1091 HydrophobicContact CB-CB 4.25Å; C1080-C1091 WeakPolarHBondContact CA-SG 3.4Å; C1080-C1091 HydrophobicContact CB-CB 3.83Å; C1080-C1091 WeakPolarHBondContact CB-SG 3.38Å; C1080-C1091 WeakPolarHBondContact SG-CB 3.27Å; C1080-C1091 CovalentContact SG-SG 2.04Å; C1080-C1091 PolarHBondContact SG-SG 2.82Å; T1085-C1091 CarbonylContact O-C 3.55Å; T1085-C1091 WeakPolarHBondContact O-CA 3.14Å |
| 1092 | T | 77.5 | Confident | 69 | Low | 85 Ų | 85 | 84 Ų | 84 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.7 | -176.6 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | Y1084 T1085 E1094 | Y1084-T1092 CarbonylContact C-O 3.51Å; Y1084-T1092 VanDerWaalsContact CA-O 3.29Å; Y1084-T1092 WeakPolarHBondContact CA-O 3.32Å; T1085-T1092 PolarHBondContact N-O 2.67Å; T1085-T1092 PolarHBondContact O-N 2.99Å; T1085-T1092 PolarHBondContact O-OG1 3.01Å; T1085-T1092 PolarHBondContact OG1-O 2.04Å; T1092-E1094 PolarHBondContact O-N 3.33Å |
| 1093 | E | 64.4 | Low | 69.3 | Low | 143 Ų | 143 | 86 Ų | 86 | 67% | 0.668 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 125.6 | -175.9 | -150.2 | 175.5 | -142.7 | 0 | 0 | 112.5 | Y1084 | Y1084-E1093 HydrophobicContact CE1-CB 4.46Å |
| 1094 | E | 50.5 | Low | 70 | Confident | 106 Ų | 106 | 88.6 Ų | 88.6 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | trans | -91.1 | 115 | -172.5 | -161.8 | -175.7 | -167.2 | 0 | 0 | 112.7 | G1083 T1085 T1092 V1096 | G1083-E1094 PolarHBondContact O-N 3.29Å; T1085-E1094 HydrophobicContact CG2-CB 4.03Å; T1085-E1094 HydrophobicContact CG2-CG 3.67Å; T1085-E1094 WeakPolarHBondContact CG2-OE1 3.28Å; T1092-E1094 PolarHBondContact O-N 3.33Å; E1094-V1096 VanDerWaalsContact CD-CG2 3.46Å; E1094-V1096 HydrophobicContact CG-CG2 3.67Å; E1094-V1096 PolarHBondContact O-N 3.46Å | ||
| 1095 | Q | 48.5 | Very low | 70.1 | Confident | 176 Ų | 176 | 89 Ų | 89 | 82% | 0.822 | 48% | 0.475 | S | S | * | . | trans | -90.8 | 63 | 179.7 | -64.9 | -166.4 | -0.1 | 0 | 0 | 113 | ||||
| 1096 | V | 45.7 | Very low | 71.2 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | trans | -70.9 | 130.6 | 172.8 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | E1094 | E1094-V1096 VanDerWaalsContact CD-CG2 3.46Å; E1094-V1096 HydrophobicContact CG-CG2 3.67Å; E1094-V1096 PolarHBondContact O-N 3.46Å | ||
| 1097 | K | 51.8 | Low | 71.8 | Confident | 166 Ų | 166 | 86.8 Ų | 86.8 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | trans | -118.4 | 122.2 | 165.3 | -69.9 | -176.8 | 179.4 | -178.5 | 0 | 108.6 | ||||
| 1098 | D | 62.4 | Low | 72.6 | Confident | 44 Ų | 44 | 89 Ų | 89 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | trans | -111 | -178 | 177 | 67.1 | 17.5 | 0 | 0 | 0 | 111.7 | S1100 V1101 D1102 L1105 Y1121 | D1098-S1100 PolarHBondContact O-N 2.77Å; D1098-S1100 WeakPolarHBondContact OD1-CA 3.1Å; D1098-S1100 VanDerWaalsContact OD1-CB 3.22Å; D1098-S1100 WeakPolarHBondContact OD1-CB 3.3Å; D1098-S1100 PolarHBondContact OD1-N 2.86Å; D1098-S1100 PolarHBondContact OD1-OG 2.85Å; D1098-V1101 PolarHBondContact O-N 2.73Å; D1098-V1101 PolarHBondContact OD1-N 3.14Å; D1098-D1102 PolarHBondContact O-N 3.3Å; D1098-L1105 WeakPolarHBondContact O-CD1 3.3Å; D1098-Y1121 WeakPolarHBondContact OD2-CD2 3.38Å | ||
| 1099 | C | 81.1 | Confident | 73.3 | Confident | 1 Ų | 1 | 90.3 Ų | 90.3 | 1% | 0.007 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.7 | 179.6 | 66 | 0 | 0 | 0 | 0 | 114.5 | D1102 R1103 L1105 C1106 C1112 | C1099-D1102 CarbonylContact O-C 3.47Å; C1099-R1103 PolarHBondContact O-N 3.11Å; C1099-L1105 HydrophobicContact CB-CB 4.41Å; C1099-C1106 VanDerWaalsContact CB-SG 3.53Å; C1099-C1112 HydrophobicContact CB-CB 3.76Å; C1099-C1112 WeakPolarHBondContact CB-SG 3.48Å; C1099-C1112 PolarHBondContact O-SG 2.87Å; C1099-C1112 VanDerWaalsContact O-SG 3.33Å; C1099-C1112 WeakPolarHBondContact SG-CB 3.44Å; C1099-C1112 CovalentContact SG-SG 2.04Å; C1099-C1112 PolarHBondContact SG-SG 3.22Å |
| 1100 | S | 77.1 | Confident | 73.9 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -38.2 | 171.8 | 81.6 | 0 | 0 | 0 | 0 | 110.9 | D1098 | D1098-S1100 PolarHBondContact O-N 2.77Å; D1098-S1100 WeakPolarHBondContact OD1-CA 3.1Å; D1098-S1100 VanDerWaalsContact OD1-CB 3.22Å; D1098-S1100 WeakPolarHBondContact OD1-CB 3.3Å; D1098-S1100 PolarHBondContact OD1-N 2.86Å; D1098-S1100 PolarHBondContact OD1-OG 2.85Å |
| 1101 | V | 71.4 | Confident | 74.3 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -39.4 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | D1098 | D1098-V1101 PolarHBondContact O-N 2.73Å; D1098-V1101 PolarHBondContact OD1-N 3.14Å |
| 1102 | D | 74.2 | Confident | 74.8 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | trans | -134.6 | 98.4 | 177.7 | -168.4 | -14.6 | 0 | 0 | 0 | 112.5 | D1098 C1099 S1104 L1105 | D1098-D1102 PolarHBondContact O-N 3.3Å; C1099-D1102 CarbonylContact O-C 3.47Å; D1102-S1104 VanDerWaalsContact CG-OG 3.28Å; D1102-S1104 PolarHBondContact O-N 2.99Å; D1102-S1104 VanDerWaalsContact O-N 3.08Å; D1102-S1104 VanDerWaalsContact OD1-CB 3.28Å; D1102-S1104 WeakPolarHBondContact OD1-CB 3.2Å; D1102-S1104 PolarHBondContact OD1-N 3.33Å; D1102-S1104 PolarHBondContact OD1-OG 3.02Å; D1102-S1104 PolarHBondContact OD2-OG 3.48Å; D1102-L1105 HydrophobicContact CB-CD1 4.04Å; D1102-L1105 HydrophobicContact CB-CG 4.1Å; D1102-L1105 WeakPolarHBondContact O-CB 3.4Å; D1102-L1105 WeakPolarHBondContact O-CG 3.47Å; D1102-L1105 PolarHBondContact O-N 3.13Å; D1102-L1105 VanDerWaalsContact O-N 3.11Å | ||
| 1103 | R | 77.8 | Confident | 75.2 | Confident | 215 Ų | 215 | 84.1 Ų | 84.1 | 81% | 0.811 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -62.2 | -13.5 | 176.6 | -68.1 | -175.4 | 177.5 | -169.6 | -2.8 | 114.2 | C1099 L1105 | C1099-R1103 PolarHBondContact O-N 3.11Å; R1103-L1105 PolarHBondContact O-N 3.08Å |
| 1104 | S | 81.8 | Confident | 75.9 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -78.1 | -5.6 | 175.5 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | D1102 C1106 | D1102-S1104 VanDerWaalsContact CG-OG 3.28Å; D1102-S1104 PolarHBondContact O-N 2.99Å; D1102-S1104 VanDerWaalsContact O-N 3.08Å; D1102-S1104 VanDerWaalsContact OD1-CB 3.28Å; D1102-S1104 WeakPolarHBondContact OD1-CB 3.2Å; D1102-S1104 PolarHBondContact OD1-N 3.33Å; D1102-S1104 PolarHBondContact OD1-OG 3.02Å; D1102-S1104 PolarHBondContact OD2-OG 3.48Å; S1104-C1106 VanDerWaalsContact C-N 3.27Å; S1104-C1106 PolarHBondContact O-N 3.27Å |
| 1105 | L | 81.6 | Confident | 77 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -71.6 | -17.6 | 170.6 | -65.2 | 171.6 | 0 | 0 | 0 | 113.4 | D1098 C1099 D1102 R1103 Y1134 | D1098-L1105 WeakPolarHBondContact O-CD1 3.3Å; C1099-L1105 HydrophobicContact CB-CB 4.41Å; D1102-L1105 HydrophobicContact CB-CD1 4.04Å; D1102-L1105 HydrophobicContact CB-CG 4.1Å; D1102-L1105 WeakPolarHBondContact O-CB 3.4Å; D1102-L1105 WeakPolarHBondContact O-CG 3.47Å; D1102-L1105 PolarHBondContact O-N 3.13Å; D1102-L1105 VanDerWaalsContact O-N 3.11Å; R1103-L1105 PolarHBondContact O-N 3.08Å; L1105-Y1134 WeakPolarHBondContact O-CD1 3.47Å |
| 1106 | C | 87.7 | Confident | 77.6 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92 | 144.5 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | C1099 S1104 A1110 C1123 | C1099-C1106 VanDerWaalsContact CB-SG 3.53Å; S1104-C1106 VanDerWaalsContact C-N 3.27Å; S1104-C1106 PolarHBondContact O-N 3.27Å; C1106-A1110 HydrophobicContact CB-CB 4.25Å; C1106-C1123 WeakPolarHBondContact CA-SG 3.43Å; C1106-C1123 HydrophobicContact CB-CB 3.73Å; C1106-C1123 WeakPolarHBondContact CB-SG 3.22Å; C1106-C1123 WeakPolarHBondContact SG-CB 3.5Å; C1106-C1123 CovalentContact SG-SG 2.04Å; C1106-C1123 PolarHBondContact SG-SG 3.39Å |
| 1107 | H | 90 | Very high | 78.2 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 21% | 0.213 | 41% | 0.405 | C | S | . | . | trans | -58.6 | 147.2 | 171 | 179.8 | -95.1 | 0 | 0 | 0 | 110.7 | N1109 A1110 G1133 Y1134 Y1135 C1137 | H1107-N1109 PolarHBondContact ND1-N 2.93Å; H1107-N1109 PolarHBondContact O-N 2.82Å; H1107-A1110 HydrophobicContact CB-CB 4.38Å; H1107-A1110 WeakPolarHBondContact O-CB 3.4Å; H1107-A1110 PolarHBondContact O-N 2.82Å; H1107-G1133 VanDerWaalsContact CB-O 3.27Å; H1107-G1133 WeakPolarHBondContact CB-O 3.31Å; H1107-G1133 PolarHBondContact N-O 2.87Å; H1107-Y1134 PolarHBondContact N-O 2.66Å; H1107-Y1135 PolarHBondContact CD2-O 2.57Å; H1107-C1137 PolarHBondContact CE1-N 3.13Å; H1107-C1137 VanDerWaalsContact CE1-N 3.3Å; H1107-C1137 PolarHBondContact CE1-O 3.42Å; H1107-C1137 VanDerWaalsContact CE1-O 3.32Å; H1107-C1137 WeakPolarHBondContact ND1-CB 3.39Å; H1107-C1137 PolarHBondContact ND1-N 2.92Å | ||
| 1108 | Q | 88.9 | Confident | 78.6 | Confident | 150 Ų | 150 | 78.4 Ų | 78.4 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -20.6 | -174.4 | 55.2 | 154.6 | 82.1 | 0 | 0 | 116 | R1126 | Q1108-R1126 PolarHBondContact O-NH1 3.24Š|
| 1109 | N | 90 | Very high | 78.4 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 16% | 0.16 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 25.7 | 176.6 | -47 | -27.1 | 0 | 0 | 0 | 112.2 | H1107 R1126 Y1129 C1137 | H1107-N1109 PolarHBondContact ND1-N 2.93Å; H1107-N1109 PolarHBondContact O-N 2.82Å; N1109-R1126 WeakPolarHBondContact O-CB 3.26Å; N1109-R1126 PolarHBondContact O-N 2.96Å; N1109-Y1129 HydrophobicContact CB-CD1 3.96Å; N1109-Y1129 HydrophobicContact CB-CD2 4.37Å; N1109-Y1129 HydrophobicContact CB-CE1 4.14Å; N1109-Y1129 HydrophobicContact CB-CG 4.1Å; N1109-Y1129 VanDerWaalsContact ND2-CE1 3.27Å; N1109-Y1129 WeakPolarHBondContact ND2-CE1 3.48Å; N1109-C1137 HydrophobicContact CB-CB 3.99Å; N1109-C1137 PolarHBondContact ND2-O 3.18Å |
| 1110 | A | 89.4 | Confident | 77.8 | Confident | 5 Ų | 5 | 82.5 Ų | 82.5 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 159.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C1106 H1107 C1123 K1124 R1126 G1133 | C1106-A1110 HydrophobicContact CB-CB 4.25Å; H1107-A1110 HydrophobicContact CB-CB 4.38Å; H1107-A1110 WeakPolarHBondContact O-CB 3.4Å; H1107-A1110 PolarHBondContact O-N 2.82Å; A1110-C1123 HydrophobicContact CB-CB 4.42Å; A1110-K1124 CarbonylContact C-O 3.47Å; A1110-K1124 WeakPolarHBondContact CA-O 3.5Å; A1110-K1124 WeakPolarHBondContact CB-O 3.38Å; A1110-R1126 PolarHBondContact O-NH2 2.98Å; A1110-G1133 VanDerWaalsContact CB-O 3.24Å; A1110-G1133 WeakPolarHBondContact CB-O 3.13Å |
| 1111 | D | 89.1 | Confident | 78 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.7 | 168.8 | -70.2 | -53 | 0 | 0 | 0 | 109.6 | T1113 K1124 R1126 | D1111-T1113 PolarHBondContact O-N 3.22Å; D1111-K1124 PolarHBondContact N-O 3.33Å; D1111-K1124 PolarHBondContact O-N 2.88Å; D1111-R1126 VanDerWaalsContact CG-NE 3.33Å; D1111-R1126 IonicContact OD1-CZ 2.82Å; D1111-R1126 IonicContact OD1-NE 2.67Å; D1111-R1126 PolarHBondContact OD1-NE 3.05Å; D1111-R1126 IonicContact OD1-NH2 2.65Å; D1111-R1126 PolarHBondContact OD1-NH2 3.42Å; D1111-R1126 WeakPolarHBondContact OD2-CD 3.34Å; D1111-R1126 WeakPolarHBondContact OD2-CG 3.34Å; D1111-R1126 IonicContact OD2-CZ 2.83Å; D1111-R1126 IonicContact OD2-NE 2.95Å; D1111-R1126 PolarHBondContact OD2-NE 2.91Å; D1111-R1126 IonicContact OD2-NH2 2.72Å |
| 1112 | C | 89.8 | Confident | 78.7 | Confident | 41 Ų | 41 | 81.5 Ų | 81.5 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 113.9 | 176 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | C1099 | C1099-C1112 HydrophobicContact CB-CB 3.76Å; C1099-C1112 WeakPolarHBondContact CB-SG 3.48Å; C1099-C1112 PolarHBondContact O-SG 2.87Å; C1099-C1112 VanDerWaalsContact O-SG 3.33Å; C1099-C1112 WeakPolarHBondContact SG-CB 3.44Å; C1099-C1112 CovalentContact SG-SG 2.04Å; C1099-C1112 PolarHBondContact SG-SG 3.22Å |
| 1113 | T | 85.6 | Confident | 79.5 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.7 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | D1111 V1122 K1124 | D1111-T1113 PolarHBondContact O-N 3.22Å; T1113-V1122 PolarHBondContact N-O 2.85Å; T1113-V1122 PolarHBondContact O-N 3.24Å; T1113-V1122 PolarHBondContact OG1-O 3.49Å; T1113-K1124 HydrophobicContact CG2-CB 4.2Å; T1113-K1124 HydrophobicContact CG2-CD 4.42Å; T1113-K1124 WeakPolarHBondContact OG1-CB 3.21Å |
| 1114 | Y | 79.5 | Confident | 79.9 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 43% | 0.431 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.7 | 169.9 | -168.2 | -96 | 0 | 0 | 0 | 109.9 | H1116 Y1121 | Y1114-H1116 AromaticContact CD1-CD2 3.92Å; Y1114-H1116 AromaticContact CD1-CE1 3.67Å; Y1114-H1116 AromaticContact CD1-ND1 3.98Å; Y1114-H1116 AromaticContact CD1-NE2 3.6Å; Y1114-H1116 AromaticContact CE1-CE1 3.88Å; Y1114-H1116 AromaticContact CE1-ND1 3.88Å; Y1114-Y1121 HydrophobicContact CD2-CD1 4.35Å; Y1114-Y1121 HydrophobicContact CD2-CD2 4.07Å; Y1114-Y1121 HydrophobicContact CD2-CE1 4.26Å; Y1114-Y1121 AromaticContact CD2-CE2 4Å; Y1114-Y1121 HydrophobicContact CD2-CE2 4Å; Y1114-Y1121 HydrophobicContact CD2-CG 4.27Å |
| 1115 | N | 74.7 | Confident | 80.2 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.193 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.2 | 176.9 | -174.8 | -4.1 | 0 | 0 | 0 | 109.6 | H1117 I1118 G1120 V1122 | N1115-H1117 PolarHBondContact OD1-N 3.43Å; N1115-I1118 CarbonylContact O-C 3.36Å; N1115-I1118 PolarHBondContact OD1-N 3Å; N1115-G1120 PolarHBondContact N-O 3.36Å; N1115-V1122 HydrophobicContact CB-CG1 3.97Å; N1115-V1122 HydrophobicContact CB-CG2 3.85Å |
| 1116 | H | 61 | Low | 80.4 | Confident | 148 Ų | 148 | 73 Ų | 73 | 69% | 0.685 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.2 | 179.7 | -67.2 | -90.2 | 0 | 0 | 0 | 113 | Y1114 | Y1114-H1116 AromaticContact CD1-CD2 3.92Å; Y1114-H1116 AromaticContact CD1-CE1 3.67Å; Y1114-H1116 AromaticContact CD1-ND1 3.98Å; Y1114-H1116 AromaticContact CD1-NE2 3.6Å; Y1114-H1116 AromaticContact CE1-CE1 3.88Å; Y1114-H1116 AromaticContact CE1-ND1 3.88Å |
| 1117 | H | 58.4 | Low | 79.8 | Confident | 156 Ų | 156 | 81.7 Ų | 81.7 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -18.5 | 175.1 | -52.4 | -72.6 | 0 | 0 | 0 | 113.3 | N1115 | N1115-H1117 PolarHBondContact OD1-N 3.43Š|
| 1118 | I | 58.7 | Low | 78.8 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.2 | 91.4 | 174.5 | -51.9 | 176.6 | 0 | 0 | 0 | 106.9 | N1115 G1120 | N1115-I1118 CarbonylContact O-C 3.36Å; N1115-I1118 PolarHBondContact OD1-N 3Å; I1118-G1120 PolarHBondContact O-N 2.8Å |
| 1119 | P | 58.4 | Low | 78.4 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 71% | 0.714 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 101.9 | -167.1 | -31 | 36.9 | 0 | 0 | 0 | 114.3 | ||
| 1120 | G | 69 | Low | 77.6 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 22% | 0.216 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1115 I1118 | N1115-G1120 PolarHBondContact N-O 3.36Å; I1118-G1120 PolarHBondContact O-N 2.8Å |
| 1121 | Y | 81.7 | Confident | 77.2 | Confident | 103 Ų | 103 | 83 Ų | 83 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.2 | 178.1 | -72.6 | -89 | 0 | 0 | 0 | 111.7 | D1098 Y1114 | D1098-Y1121 WeakPolarHBondContact OD2-CD2 3.38Å; Y1114-Y1121 HydrophobicContact CD2-CD1 4.35Å; Y1114-Y1121 HydrophobicContact CD2-CD2 4.07Å; Y1114-Y1121 HydrophobicContact CD2-CE1 4.26Å; Y1114-Y1121 AromaticContact CD2-CE2 4Å; Y1114-Y1121 HydrophobicContact CD2-CE2 4Å; Y1114-Y1121 HydrophobicContact CD2-CG 4.27Å |
| 1122 | V | 85 | Confident | 76.6 | Confident | 38 Ų | 38 | 83.2 Ų | 83.2 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151.5 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | T1113 N1115 Y1134 | T1113-V1122 PolarHBondContact N-O 2.85Å; T1113-V1122 PolarHBondContact O-N 3.24Å; T1113-V1122 PolarHBondContact OG1-O 3.49Å; N1115-V1122 HydrophobicContact CB-CG1 3.97Å; N1115-V1122 HydrophobicContact CB-CG2 3.85Å; V1122-Y1134 WeakPolarHBondContact CA-OH 3.41Å |
| 1123 | C | 90.7 | Very high | 76.2 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.2 | 171.5 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | C1106 A1110 G1133 Y1134 | C1106-C1123 WeakPolarHBondContact CA-SG 3.43Å; C1106-C1123 HydrophobicContact CB-CB 3.73Å; C1106-C1123 WeakPolarHBondContact CB-SG 3.22Å; C1106-C1123 WeakPolarHBondContact SG-CB 3.5Å; C1106-C1123 CovalentContact SG-SG 2.04Å; C1106-C1123 PolarHBondContact SG-SG 3.39Å; A1110-C1123 HydrophobicContact CB-CB 4.42Å; C1123-G1133 VanDerWaalsContact CB-C 3.48Å; C1123-G1133 VanDerWaalsContact CB-O 3.27Å; C1123-G1133 WeakPolarHBondContact CB-O 3.29Å; C1123-G1133 WeakPolarHBondContact O-CA 3.35Å; C1123-Y1134 HydrophobicContact CB-CD1 4.06Å; C1123-Y1134 HydrophobicContact CB-CD2 4.42Å; C1123-Y1134 HydrophobicContact CB-CE1 4.02Å; C1123-Y1134 HydrophobicContact CB-CE2 4.38Å; C1123-Y1134 HydrophobicContact CB-CG 4.27Å; C1123-Y1134 VanDerWaalsContact SG-CD1 3.57Å; C1123-Y1134 WeakPolarHBondContact SG-CE1 3.47Å |
| 1124 | K | 86.7 | Confident | 76.1 | Confident | 138 Ų | 138 | 83.4 Ų | 83.4 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 129 | 179 | -177.3 | 171.9 | -179.2 | 175.6 | 0 | 109.7 | A1110 D1111 T1113 | A1110-K1124 CarbonylContact C-O 3.47Å; A1110-K1124 WeakPolarHBondContact CA-O 3.5Å; A1110-K1124 WeakPolarHBondContact CB-O 3.38Å; D1111-K1124 PolarHBondContact N-O 3.33Å; D1111-K1124 PolarHBondContact O-N 2.88Å; T1113-K1124 HydrophobicContact CG2-CB 4.2Å; T1113-K1124 HydrophobicContact CG2-CD 4.42Å; T1113-K1124 WeakPolarHBondContact OG1-CB 3.21Å |
| 1125 | C | 88.7 | Confident | 76.4 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 17% | 0.169 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 141.3 | 179 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | Y1129 C1137 | C1125-Y1129 VanDerWaalsContact CB-O 3.29Å; C1125-Y1129 WeakPolarHBondContact CB-O 3.44Å; C1125-C1137 WeakPolarHBondContact CA-SG 3.42Å; C1125-C1137 HydrophobicContact CB-CB 3.77Å; C1125-C1137 WeakPolarHBondContact CB-SG 3.41Å; C1125-C1137 WeakPolarHBondContact SG-CB 3.32Å; C1125-C1137 CovalentContact SG-SG 2.04Å; C1125-C1137 PolarHBondContact SG-SG 2.98Å |
| 1126 | R | 86 | Confident | 76.8 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 39% | 0.389 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 152.7 | 176.5 | -73.3 | -174.8 | -174.7 | 121.1 | 15.1 | 111.4 | Q1108 N1109 A1110 D1111 G1128 Y1129 | Q1108-R1126 PolarHBondContact O-NH1 3.24Å; N1109-R1126 WeakPolarHBondContact O-CB 3.26Å; N1109-R1126 PolarHBondContact O-N 2.96Å; A1110-R1126 PolarHBondContact O-NH2 2.98Å; D1111-R1126 VanDerWaalsContact CG-NE 3.33Å; D1111-R1126 IonicContact OD1-CZ 2.82Å; D1111-R1126 IonicContact OD1-NE 2.67Å; D1111-R1126 PolarHBondContact OD1-NE 3.05Å; D1111-R1126 IonicContact OD1-NH2 2.65Å; D1111-R1126 PolarHBondContact OD1-NH2 3.42Å; D1111-R1126 WeakPolarHBondContact OD2-CD 3.34Å; D1111-R1126 WeakPolarHBondContact OD2-CG 3.34Å; D1111-R1126 IonicContact OD2-CZ 2.83Å; D1111-R1126 IonicContact OD2-NE 2.95Å; D1111-R1126 PolarHBondContact OD2-NE 2.91Å; D1111-R1126 IonicContact OD2-NH2 2.72Å; R1126-G1128 PolarHBondContact O-N 2.81Å; R1126-Y1129 HydrophobicContact CB-CD2 4.35Å; R1126-Y1129 WeakPolarHBondContact O-CB 3.38Å; R1126-Y1129 PolarHBondContact O-N 3.48Å |
| 1127 | Q | 75.7 | Confident | 77.9 | Confident | 203 Ų | 203 | 80.4 Ų | 80.4 | 95% | 0.949 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 128 | 178.2 | -143.3 | 177.9 | 26.7 | 0 | 0 | 111.4 | ||
| 1128 | G | 67.4 | Low | 78.8 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 1.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116 | R1126 Q1140 | R1126-G1128 PolarHBondContact O-N 2.81Å; G1128-Q1140 PolarHBondContact O-N 3.22Å |
| 1129 | Y | 80.8 | Confident | 79 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.8 | 172.1 | -62.9 | -100.6 | 0 | 0 | 0 | 111.8 | N1109 C1125 R1126 C1137 Q1138 L1139 | N1109-Y1129 HydrophobicContact CB-CD1 3.96Å; N1109-Y1129 HydrophobicContact CB-CD2 4.37Å; N1109-Y1129 HydrophobicContact CB-CE1 4.14Å; N1109-Y1129 HydrophobicContact CB-CG 4.1Å; N1109-Y1129 VanDerWaalsContact ND2-CE1 3.27Å; N1109-Y1129 WeakPolarHBondContact ND2-CE1 3.48Å; C1125-Y1129 VanDerWaalsContact CB-O 3.29Å; C1125-Y1129 WeakPolarHBondContact CB-O 3.44Å; R1126-Y1129 HydrophobicContact CB-CD2 4.35Å; R1126-Y1129 WeakPolarHBondContact O-CB 3.38Å; R1126-Y1129 PolarHBondContact O-N 3.48Å; Y1129-C1137 WeakPolarHBondContact CD1-O 3.33Å; Y1129-Q1138 CarbonylContact C-O 3.47Å; Y1129-Q1138 WeakPolarHBondContact CA-O 3.23Å; Y1129-L1139 HydrophobicContact CD1-CB 4.2Å; Y1129-L1139 HydrophobicContact CD1-CD1 4.31Å; Y1129-L1139 HydrophobicContact CD2-CD1 4.49Å; Y1129-L1139 HydrophobicContact CE1-CB 3.98Å; Y1129-L1139 HydrophobicContact CE1-CD1 3.81Å; Y1129-L1139 HydrophobicContact CE2-CD1 4.02Å |
| 1130 | Y | 73.3 | Confident | 78.7 | Confident | 78 Ų | 78 | 76.9 Ų | 76.9 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148 | -179.4 | 72.3 | -81 | 0 | 0 | 0 | 112 | C1137 Q1138 Q1140 R1147 | Y1130-C1137 CarbonylContact O-C 3.52Å; Y1130-C1137 WeakPolarHBondContact O-CA 3.47Å; Y1130-Q1138 HydrophobicContact CD1-CB 4.43Å; Y1130-Q1138 WeakPolarHBondContact CD1-O 3.26Å; Y1130-Q1138 HydrophobicContact CE1-CB 3.85Å; Y1130-Q1138 WeakPolarHBondContact CE1-O 3.36Å; Y1130-Q1138 PolarHBondContact N-O 2.85Å; Y1130-Q1138 PolarHBondContact O-N 2.91Å; Y1130-Q1140 HydrophobicContact CD1-CB 3.96Å; Y1130-Q1140 HydrophobicContact CD1-CG 4.42Å; Y1130-R1147 VanDerWaalsContact CE1-NH2 3.27Å; Y1130-R1147 VanDerWaalsContact CE2-NH1 3.29Å |
| 1131 | G | 80.8 | Confident | 77.5 | Confident | 50 Ų | 50 | 85 Ų | 85 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 144.1 | -161.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1136 | G1131-S1136 CarbonylContact C-O 3.55Å; G1131-S1136 WeakPolarHBondContact CA-O 3.44Å |
| 1132 | D | 76.9 | Confident | 75.6 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | trans | -84.3 | -4.7 | -169.5 | 65.2 | 11.7 | 0 | 0 | 0 | 114.9 | Y1134 Y1135 S1136 | D1132-Y1134 WeakPolarHBondContact O-CD2 3.48Å; D1132-Y1134 PolarHBondContact O-N 3.06Å; D1132-Y1134 PolarHBondContact OD1-N 2.93Å; D1132-Y1134 VanDerWaalsContact OD1-N 3.1Å; D1132-Y1135 PolarHBondContact OD1-N 2.79Å; D1132-S1136 PolarHBondContact N-O 3.01Å; D1132-S1136 PolarHBondContact OD1-N 2.98Å | ||
| 1133 | G | 82.5 | Confident | 73.7 | Confident | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 76.6 | -30.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1107 A1110 C1123 | H1107-G1133 VanDerWaalsContact CB-O 3.27Å; H1107-G1133 WeakPolarHBondContact CB-O 3.31Å; H1107-G1133 PolarHBondContact N-O 2.87Å; A1110-G1133 VanDerWaalsContact CB-O 3.24Å; A1110-G1133 WeakPolarHBondContact CB-O 3.13Å; C1123-G1133 VanDerWaalsContact CB-C 3.48Å; C1123-G1133 VanDerWaalsContact CB-O 3.27Å; C1123-G1133 WeakPolarHBondContact CB-O 3.29Å; C1123-G1133 WeakPolarHBondContact O-CA 3.35Å |
| 1134 | Y | 83.4 | Confident | 71.8 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -91.3 | -48.1 | -177.2 | -64.5 | -83.3 | 0 | 0 | 0 | 113 | L1105 H1107 V1122 C1123 D1132 | L1105-Y1134 WeakPolarHBondContact O-CD1 3.47Å; H1107-Y1134 PolarHBondContact N-O 2.66Å; V1122-Y1134 WeakPolarHBondContact CA-OH 3.41Å; C1123-Y1134 HydrophobicContact CB-CD1 4.06Å; C1123-Y1134 HydrophobicContact CB-CD2 4.42Å; C1123-Y1134 HydrophobicContact CB-CE1 4.02Å; C1123-Y1134 HydrophobicContact CB-CE2 4.38Å; C1123-Y1134 HydrophobicContact CB-CG 4.27Å; C1123-Y1134 VanDerWaalsContact SG-CD1 3.57Å; C1123-Y1134 WeakPolarHBondContact SG-CE1 3.47Å; D1132-Y1134 WeakPolarHBondContact O-CD2 3.48Å; D1132-Y1134 PolarHBondContact O-N 3.06Å; D1132-Y1134 PolarHBondContact OD1-N 2.93Å; D1132-Y1134 VanDerWaalsContact OD1-N 3.1Å |
| 1135 | Y | 84 | Confident | 70.7 | Confident | 200 Ų | 200 | 84.8 Ų | 84.8 | 78% | 0.784 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -118.6 | -19.8 | -172.6 | -54.1 | -76.3 | 0 | 0 | 0 | 113.5 | H1107 D1132 | H1107-Y1135 PolarHBondContact CD2-O 2.57Å; D1132-Y1135 PolarHBondContact OD1-N 2.79Å |
| 1136 | S | 83.3 | Confident | 69.3 | Low | 29 Ų | 29 | 89 Ų | 89 | 20% | 0.203 | 45% | 0.449 | C | S | . | . | trans | -147 | 120.6 | -176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | G1131 D1132 Q1138 | G1131-S1136 CarbonylContact C-O 3.55Å; G1131-S1136 WeakPolarHBondContact CA-O 3.44Å; D1132-S1136 PolarHBondContact N-O 3.01Å; D1132-S1136 PolarHBondContact OD1-N 2.98Å; S1136-Q1138 PolarHBondContact OG-NE2 3.43Å; S1136-Q1138 VanDerWaalsContact OG-NE2 3.1Å | ||
| 1137 | C | 85.8 | Confident | 67.9 | Low | 3 Ų | 3 | 88.3 Ų | 88.3 | 2% | 0.02 | 45% | 0.446 | C | S | . | . | trans | -133.3 | 105.2 | 156.5 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | H1107 N1109 C1125 Y1129 Y1130 | H1107-C1137 PolarHBondContact CE1-N 3.13Å; H1107-C1137 VanDerWaalsContact CE1-N 3.3Å; H1107-C1137 PolarHBondContact CE1-O 3.42Å; H1107-C1137 VanDerWaalsContact CE1-O 3.32Å; H1107-C1137 WeakPolarHBondContact ND1-CB 3.39Å; H1107-C1137 PolarHBondContact ND1-N 2.92Å; N1109-C1137 HydrophobicContact CB-CB 3.99Å; N1109-C1137 PolarHBondContact ND2-O 3.18Å; C1125-C1137 WeakPolarHBondContact CA-SG 3.42Å; C1125-C1137 HydrophobicContact CB-CB 3.77Å; C1125-C1137 WeakPolarHBondContact CB-SG 3.41Å; C1125-C1137 WeakPolarHBondContact SG-CB 3.32Å; C1125-C1137 CovalentContact SG-SG 2.04Å; C1125-C1137 PolarHBondContact SG-SG 2.98Å; Y1129-C1137 WeakPolarHBondContact CD1-O 3.33Å; Y1130-C1137 CarbonylContact O-C 3.52Å; Y1130-C1137 WeakPolarHBondContact O-CA 3.47Å | ||
| 1138 | Q | 76.6 | Confident | 66.8 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.9 | -173.7 | -61.9 | 178.8 | 41.8 | 0 | 0 | 110.6 | Y1129 Y1130 S1136 Q1140 | Y1129-Q1138 CarbonylContact C-O 3.47Å; Y1129-Q1138 WeakPolarHBondContact CA-O 3.23Å; Y1130-Q1138 HydrophobicContact CD1-CB 4.43Å; Y1130-Q1138 WeakPolarHBondContact CD1-O 3.26Å; Y1130-Q1138 HydrophobicContact CE1-CB 3.85Å; Y1130-Q1138 WeakPolarHBondContact CE1-O 3.36Å; Y1130-Q1138 PolarHBondContact N-O 2.85Å; Y1130-Q1138 PolarHBondContact O-N 2.91Å; S1136-Q1138 PolarHBondContact OG-NE2 3.43Å; S1136-Q1138 VanDerWaalsContact OG-NE2 3.1Å; Q1138-Q1140 PolarHBondContact O-N 3.31Å |
| 1139 | L | 62.7 | Low | 66.3 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 45% | 0.445 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 126.2 | -176.6 | -171.5 | 78 | 0 | 0 | 0 | 110.7 | Y1129 R1141 | Y1129-L1139 HydrophobicContact CD1-CB 4.2Å; Y1129-L1139 HydrophobicContact CD1-CD1 4.31Å; Y1129-L1139 HydrophobicContact CD2-CD1 4.49Å; Y1129-L1139 HydrophobicContact CE1-CB 3.98Å; Y1129-L1139 HydrophobicContact CE1-CD1 3.81Å; Y1129-L1139 HydrophobicContact CE2-CD1 4.02Å; L1139-R1141 PolarHBondContact O-N 2.85Å |
| 1140 | Q | 52.6 | Low | 65.9 | Low | 118 Ų | 118 | 91.5 Ų | 91.5 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | trans | -73 | 113.8 | 179 | -169.8 | 143.8 | -27.8 | 0 | 0 | 110.9 | G1128 Y1130 Q1138 | G1128-Q1140 PolarHBondContact O-N 3.22Å; Y1130-Q1140 HydrophobicContact CD1-CB 3.96Å; Y1130-Q1140 HydrophobicContact CD1-CG 4.42Å; Q1138-Q1140 PolarHBondContact O-N 3.31Å | ||
| 1141 | R | 43.6 | Very low | 66.3 | Low | 190 Ų | 190 | 88.9 Ų | 88.9 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | trans | -133.1 | 176.8 | 162 | -62.6 | -175.8 | 179.2 | -175.4 | -0.7 | 107.3 | L1139 | L1139-R1141 PolarHBondContact O-N 2.85Š| ||
| 1142 | V | 41.3 | Very low | 66.4 | Low | 112 Ų | 112 | 87.7 Ų | 87.7 | 68% | 0.679 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 87.1 | 144.4 | 177.7 | -171.8 | 0 | 0 | 0 | 0 | 114.1 | D1146 | V1142-D1146 HydrophobicContact CG1-CB 3.95Š|
| 1143 | T | 45.1 | Very low | 66.8 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 56% | 0.564 | 45% | 0.453 | S | S | * | . | trans | -66.2 | 154.1 | -173.6 | 21.2 | 0 | 0 | 0 | 0 | 114.5 | C1145 D1146 | T1143-C1145 PolarHBondContact O-N 3.29Å; T1143-C1145 VanDerWaalsContact O-N 3.17Å; T1143-D1146 VanDerWaalsContact CB-OD2 3.3Å; T1143-D1146 WeakPolarHBondContact CB-OD2 3.18Å; T1143-D1146 PolarHBondContact O-N 2.67Å; T1143-D1146 PolarHBondContact OG1-OD2 2.83Å | ||
| 1144 | A | 51.9 | Low | 67 | Low | 22 Ų | 22 | 92.4 Ų | 92.4 | 18% | 0.182 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.5 | -156.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | P1159 S1165 F1166 | A1144-P1159 HydrophobicContact CB-CB 4.45Å; A1144-S1165 WeakPolarHBondContact CB-O 3.26Å; A1144-F1166 HydrophobicContact CB-CB 4.31Å; A1144-F1166 VanDerWaalsContact O-CD1 3.27Å; A1144-F1166 WeakPolarHBondContact O-CD1 3.27Å |
| 1145 | C | 62.3 | Low | 67.1 | Low | 58 Ų | 58 | 88.9 Ų | 88.9 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 0.5 | -176.3 | -57.8 | 0 | 0 | 0 | 0 | 114.8 | T1143 R1147 C1157 | T1143-C1145 PolarHBondContact O-N 3.29Å; T1143-C1145 VanDerWaalsContact O-N 3.17Å; C1145-R1147 VanDerWaalsContact C-N 3.26Å; C1145-R1147 PolarHBondContact O-N 2.81Å; C1145-C1157 VanDerWaalsContact SG-SG 3.68Å |
| 1146 | D | 60.1 | Low | 67.2 | Low | 113 Ų | 113 | 84.2 Ų | 84.2 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | trans | -79.6 | -3.1 | -174.2 | -72.5 | -61.3 | 0 | 0 | 0 | 114.1 | V1142 T1143 | V1142-D1146 HydrophobicContact CG1-CB 3.95Å; T1143-D1146 VanDerWaalsContact CB-OD2 3.3Å; T1143-D1146 WeakPolarHBondContact CB-OD2 3.18Å; T1143-D1146 PolarHBondContact O-N 2.67Å; T1143-D1146 PolarHBondContact OG1-OD2 2.83Å | ||
| 1147 | R | 55.3 | Low | 67.2 | Low | 89 Ų | 89 | 85.4 Ų | 85.4 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -85.8 | 112.7 | 172.4 | -67.6 | -170.9 | -176.9 | -159.3 | 1.5 | 109.7 | Y1130 C1145 N1149 V1150 | Y1130-R1147 VanDerWaalsContact CE1-NH2 3.27Å; Y1130-R1147 VanDerWaalsContact CE2-NH1 3.29Å; C1145-R1147 VanDerWaalsContact C-N 3.26Å; C1145-R1147 PolarHBondContact O-N 2.81Å; R1147-N1149 PolarHBondContact O-N 2.97Å; R1147-V1150 HydrophobicContact CB-CG2 3.72Å |
| 1148 | Q | 53.5 | Low | 67 | Low | 181 Ų | 181 | 87.9 Ų | 87.9 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -60.6 | 133.7 | 177.6 | -64.5 | 177.3 | -45.9 | 0 | 0 | 111.2 | ||
| 1149 | N | 56.6 | Low | 66.8 | Low | 161 Ų | 161 | 86.4 Ų | 86.4 | 86% | 0.861 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 57.9 | 58.7 | 170.5 | -54.9 | 8.4 | 0 | 0 | 0 | 114.9 | R1147 | R1147-N1149 PolarHBondContact O-N 2.97Š|
| 1150 | V | 72.3 | Confident | 67 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 36% | 0.358 | 46% | 0.458 | S | S | . | . | trans | -94.8 | -28.7 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | R1147 F1166 Y1179 | R1147-V1150 HydrophobicContact CB-CG2 3.72Å; V1150-F1166 HydrophobicContact CB-CE2 4.43Å; V1150-F1166 HydrophobicContact CB-CZ 4.49Å; V1150-F1166 HydrophobicContact CG1-CE2 3.68Å; V1150-F1166 HydrophobicContact CG1-CZ 3.55Å; V1150-Y1179 HydrophobicContact CG1-CE1 4.2Å; V1150-Y1179 VanDerWaalsContact O-CD1 3.3Å; V1150-Y1179 WeakPolarHBondContact O-CD1 3.46Å; V1150-Y1179 WeakPolarHBondContact O-CE1 3.42Å | ||
| 1151 | C | 81.2 | Confident | 67.6 | Low | 23 Ų | 23 | 89 Ų | 89 | 16% | 0.155 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -93.7 | 168.8 | 174.3 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | A1155 C1168 | C1151-A1155 HydrophobicContact CB-CB 3.77Å; C1151-C1168 WeakPolarHBondContact CA-SG 3.26Å; C1151-C1168 HydrophobicContact CB-CB 3.6Å; C1151-C1168 WeakPolarHBondContact CB-SG 3.07Å; C1151-C1168 VanDerWaalsContact SG-CA 3.54Å; C1151-C1168 WeakPolarHBondContact SG-CB 3.06Å; C1151-C1168 CovalentContact SG-SG 2.03Å; C1151-C1168 PolarHBondContact SG-SG 2.91Å |
| 1152 | D | 83.7 | Confident | 68.5 | Low | 26 Ų | 26 | 84.1 Ų | 84.1 | 14% | 0.139 | 47% | 0.467 | C | S | . | . | trans | -53.8 | 148 | 170.8 | -167.5 | -78.8 | 0 | 0 | 0 | 111.4 | N1154 A1155 G1178 C1181 | D1152-N1154 PolarHBondContact O-N 3.31Å; D1152-N1154 WeakPolarHBondContact OD1-CA 3.23Å; D1152-N1154 WeakPolarHBondContact OD1-CB 3.31Å; D1152-N1154 PolarHBondContact OD1-N 3.16Å; D1152-N1154 PolarHBondContact OD1-ND2 3.43Å; D1152-A1155 HydrophobicContact CB-CB 3.92Å; D1152-A1155 WeakPolarHBondContact O-CB 3.3Å; D1152-A1155 PolarHBondContact O-N 3.09Å; D1152-G1178 PolarHBondContact N-O 2.67Å; D1152-C1181 HydrophobicContact CB-CB 3.92Å; D1152-C1181 PolarHBondContact OD2-N 3.27Å | ||
| 1153 | P | 85 | Confident | 69.3 | Low | 123 Ų | 123 | 80.7 Ų | 80.7 | 80% | 0.799 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -23 | 170.6 | -28.1 | 36.5 | 0 | 0 | 0 | 114.7 | ||
| 1154 | N | 87 | Confident | 70 | Confident | 56 Ų | 56 | 83 Ų | 83 | 30% | 0.299 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 31.5 | 175.3 | -43.3 | -82.7 | 0 | 0 | 0 | 111.7 | D1152 N1171 F1174 C1181 | D1152-N1154 PolarHBondContact O-N 3.31Å; D1152-N1154 WeakPolarHBondContact OD1-CA 3.23Å; D1152-N1154 WeakPolarHBondContact OD1-CB 3.31Å; D1152-N1154 PolarHBondContact OD1-N 3.16Å; D1152-N1154 PolarHBondContact OD1-ND2 3.43Å; N1154-N1171 VanDerWaalsContact C-CG 3.44Å; N1154-N1171 WeakPolarHBondContact CA-ND2 3.26Å; N1154-N1171 VanDerWaalsContact O-CB 3.27Å; N1154-N1171 WeakPolarHBondContact O-CB 3.33Å; N1154-N1171 VanDerWaalsContact O-CG 3.26Å; N1154-N1171 PolarHBondContact O-N 3.15Å; N1154-N1171 PolarHBondContact O-ND2 3.35Å; N1154-F1174 HydrophobicContact CB-CD1 3.71Å; N1154-F1174 HydrophobicContact CB-CD2 3.98Å; N1154-F1174 HydrophobicContact CB-CE1 3.73Å; N1154-F1174 HydrophobicContact CB-CE2 4Å; N1154-F1174 HydrophobicContact CB-CG 3.86Å; N1154-F1174 HydrophobicContact CB-CZ 3.88Å; N1154-F1174 VanDerWaalsContact CG-CE1 3.43Å; N1154-F1174 VanDerWaalsContact OD1-CZ 3.27Å; N1154-F1174 WeakPolarHBondContact OD1-CZ 3.45Å; N1154-C1181 HydrophobicContact CB-CB 4.08Å |
| 1155 | A | 85.7 | Confident | 70.4 | Confident | 18 Ų | 18 | 84.6 Ų | 84.6 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 158.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1151 D1152 I1169 G1178 | C1151-A1155 HydrophobicContact CB-CB 3.77Å; D1152-A1155 HydrophobicContact CB-CB 3.92Å; D1152-A1155 WeakPolarHBondContact O-CB 3.3Å; D1152-A1155 PolarHBondContact O-N 3.09Å; A1155-I1169 CarbonylContact C-O 3.25Å; A1155-I1169 WeakPolarHBondContact CA-O 3.37Å; A1155-I1169 VanDerWaalsContact CB-O 3.29Å; A1155-I1169 WeakPolarHBondContact CB-O 3.39Å; A1155-G1178 VanDerWaalsContact CB-O 3.26Å; A1155-G1178 WeakPolarHBondContact CB-O 3.21Å |
| 1156 | Q | 86.4 | Confident | 71 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.9 | 171.4 | 57.2 | 178.8 | -10.1 | 0 | 0 | 110.9 | V1158 C1168 I1169 N1171 | Q1156-V1158 HydrophobicContact CG-CG2 4.26Å; Q1156-C1168 WeakPolarHBondContact O-CA 3.14Å; Q1156-I1169 HydrophobicContact CG-CB 4.06Å; Q1156-I1169 WeakPolarHBondContact CG-O 3.13Å; Q1156-I1169 PolarHBondContact N-O 2.84Å; Q1156-I1169 PolarHBondContact O-N 2.84Å; Q1156-N1171 PolarHBondContact N-OD1 3.06Å |
| 1157 | C | 83.1 | Confident | 71.8 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 37% | 0.365 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.8 | 175 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | C1145 | C1145-C1157 VanDerWaalsContact SG-SG 3.68Å |
| 1158 | V | 80.3 | Confident | 73.3 | Confident | 54 Ų | 54 | 79 Ų | 79 | 33% | 0.327 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | -175.6 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | Q1156 F1166 S1167 I1169 | Q1156-V1158 HydrophobicContact CG-CG2 4.26Å; V1158-F1166 CarbonylContact O-C 3.52Å; V1158-F1166 VanDerWaalsContact O-CA 3.24Å; V1158-F1166 WeakPolarHBondContact O-CA 3.26Å; V1158-S1167 PolarHBondContact N-O 3.33Å; V1158-S1167 PolarHBondContact O-N 2.86Å; V1158-I1169 HydrophobicContact CB-CD1 4.42Å; V1158-I1169 HydrophobicContact CG2-CD1 3.81Å; V1158-I1169 HydrophobicContact CG2-CG1 4.25Å |
| 1159 | P | 73.7 | Confident | 74.9 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141 | 177 | 29.3 | -31.9 | 0 | 0 | 0 | 111 | A1144 | A1144-P1159 HydrophobicContact CB-CB 4.45Å |
| 1160 | S | 66.5 | Low | 76.2 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | trans | -72.2 | 159.6 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | D1162 G1163 S1165 | S1160-D1162 WeakPolarHBondContact CB-OD1 3.44Å; S1160-D1162 PolarHBondContact O-N 3.15Å; S1160-D1162 PolarHBondContact OG-OD1 2.87Å; S1160-G1163 PolarHBondContact O-N 2.88Å; S1160-S1165 WeakPolarHBondContact CB-OG 3.46Å; S1160-S1165 PolarHBondContact N-O 3.39Å | ||
| 1161 | Q | 65.2 | Low | 76.7 | Confident | 212 Ų | 212 | 67.7 Ų | 67.7 | 99% | 0.991 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.7 | -176.5 | -58.2 | -167.5 | 26 | 0 | 0 | 113.5 | G1163 | Q1161-G1163 VanDerWaalsContact C-N 3.29Š|
| 1162 | D | 61.6 | Low | 76.4 | Confident | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.7 | 177 | 71.5 | -74.6 | 0 | 0 | 0 | 113.4 | S1160 N1164 | S1160-D1162 WeakPolarHBondContact CB-OD1 3.44Å; S1160-D1162 PolarHBondContact O-N 3.15Å; S1160-D1162 PolarHBondContact OG-OD1 2.87Å; D1162-N1164 VanDerWaalsContact C-N 3.28Å; D1162-N1164 PolarHBondContact O-N 2.83Å; D1162-N1164 PolarHBondContact O-ND2 2.92Å; D1162-N1164 WeakPolarHBondContact OD2-CA 3.08Å; D1162-N1164 WeakPolarHBondContact OD2-CB 3.25Å; D1162-N1164 PolarHBondContact OD2-N 3.18Å; D1162-N1164 PolarHBondContact OD2-ND2 2.96Å |
| 1163 | G | 58.2 | Low | 75.6 | Confident | 41 Ų | 41 | 74 Ų | 74 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 75.5 | -0.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | S1160 Q1161 | S1160-G1163 PolarHBondContact O-N 2.88Å; Q1161-G1163 VanDerWaalsContact C-N 3.29Å |
| 1164 | N | 59.5 | Low | 75.4 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 75% | 0.754 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -99.8 | -15.1 | -180 | -50 | -77.6 | 0 | 0 | 0 | 113.7 | D1162 | D1162-N1164 VanDerWaalsContact C-N 3.28Å; D1162-N1164 PolarHBondContact O-N 2.83Å; D1162-N1164 PolarHBondContact O-ND2 2.92Å; D1162-N1164 WeakPolarHBondContact OD2-CA 3.08Å; D1162-N1164 WeakPolarHBondContact OD2-CB 3.25Å; D1162-N1164 PolarHBondContact OD2-N 3.18Å; D1162-N1164 PolarHBondContact OD2-ND2 2.96Å |
| 1165 | S | 61.2 | Low | 74.5 | Confident | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | trans | -124 | 170.5 | 176.7 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | A1144 S1160 | A1144-S1165 WeakPolarHBondContact CB-O 3.26Å; S1160-S1165 WeakPolarHBondContact CB-OG 3.46Å; S1160-S1165 PolarHBondContact N-O 3.39Å | ||
| 1166 | F | 74.2 | Confident | 74.1 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 27% | 0.272 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.2 | 173.7 | 66 | -85.4 | 0 | 0 | 0 | 109.2 | A1144 V1150 V1158 | A1144-F1166 HydrophobicContact CB-CB 4.31Å; A1144-F1166 VanDerWaalsContact O-CD1 3.27Å; A1144-F1166 WeakPolarHBondContact O-CD1 3.27Å; V1150-F1166 HydrophobicContact CB-CE2 4.43Å; V1150-F1166 HydrophobicContact CB-CZ 4.49Å; V1150-F1166 HydrophobicContact CG1-CE2 3.68Å; V1150-F1166 HydrophobicContact CG1-CZ 3.55Å; V1158-F1166 CarbonylContact O-C 3.52Å; V1158-F1166 VanDerWaalsContact O-CA 3.24Å; V1158-F1166 WeakPolarHBondContact O-CA 3.26Å |
| 1167 | S | 78.6 | Confident | 73.6 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.9 | 171.8 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | V1158 | V1158-S1167 PolarHBondContact N-O 3.33Å; V1158-S1167 PolarHBondContact O-N 2.86Å |
| 1168 | C | 86.9 | Confident | 73.5 | Confident | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.095 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.7 | 168 | -67.5 | 0 | 0 | 0 | 0 | 108.7 | C1151 Q1156 G1178 Y1179 | C1151-C1168 WeakPolarHBondContact CA-SG 3.26Å; C1151-C1168 HydrophobicContact CB-CB 3.6Å; C1151-C1168 WeakPolarHBondContact CB-SG 3.07Å; C1151-C1168 VanDerWaalsContact SG-CA 3.54Å; C1151-C1168 WeakPolarHBondContact SG-CB 3.06Å; C1151-C1168 CovalentContact SG-SG 2.03Å; C1151-C1168 PolarHBondContact SG-SG 2.91Å; Q1156-C1168 WeakPolarHBondContact O-CA 3.14Å; C1168-G1178 WeakPolarHBondContact CB-O 3.46Å; C1168-Y1179 HydrophobicContact CB-CE1 4.41Å; C1168-Y1179 HydrophobicContact CB-CE2 4.29Å |
| 1169 | I | 85.1 | Confident | 73.5 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 41% | 0.41 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.2 | -179.2 | -51.4 | -178 | 0 | 0 | 0 | 107.8 | A1155 Q1156 V1158 | A1155-I1169 CarbonylContact C-O 3.25Å; A1155-I1169 WeakPolarHBondContact CA-O 3.37Å; A1155-I1169 VanDerWaalsContact CB-O 3.29Å; A1155-I1169 WeakPolarHBondContact CB-O 3.39Å; Q1156-I1169 HydrophobicContact CG-CB 4.06Å; Q1156-I1169 WeakPolarHBondContact CG-O 3.13Å; Q1156-I1169 PolarHBondContact N-O 2.84Å; Q1156-I1169 PolarHBondContact O-N 2.84Å; V1158-I1169 HydrophobicContact CB-CD1 4.42Å; V1158-I1169 HydrophobicContact CG2-CD1 3.81Å; V1158-I1169 HydrophobicContact CG2-CG1 4.25Å |
| 1170 | C | 85.4 | Confident | 73.6 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 14% | 0.142 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 144 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | F1174 C1181 | C1170-F1174 HydrophobicContact CB-CB 4.14Å; C1170-F1174 WeakPolarHBondContact CB-O 3.46Å; C1170-C1181 WeakPolarHBondContact CA-SG 3.02Å; C1170-C1181 HydrophobicContact CB-CB 3.92Å; C1170-C1181 WeakPolarHBondContact CB-SG 3.02Å; C1170-C1181 WeakPolarHBondContact SG-CB 3.44Å; C1170-C1181 CovalentContact SG-SG 2.04Å; C1170-C1181 PolarHBondContact SG-SG 3.42Å |
| 1171 | N | 83.2 | Confident | 74.4 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 33% | 0.326 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 155.4 | 173.3 | -66.9 | -23.1 | 0 | 0 | 0 | 109.6 | N1154 Q1156 D1173 F1174 | N1154-N1171 VanDerWaalsContact C-CG 3.44Å; N1154-N1171 WeakPolarHBondContact CA-ND2 3.26Å; N1154-N1171 VanDerWaalsContact O-CB 3.27Å; N1154-N1171 WeakPolarHBondContact O-CB 3.33Å; N1154-N1171 VanDerWaalsContact O-CG 3.26Å; N1154-N1171 PolarHBondContact O-N 3.15Å; N1154-N1171 PolarHBondContact O-ND2 3.35Å; Q1156-N1171 PolarHBondContact N-OD1 3.06Å; N1171-D1173 PolarHBondContact O-N 3.44Å; N1171-F1174 PolarHBondContact O-N 3.47Å |
| 1172 | A | 73.3 | Confident | 74.8 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 78% | 0.777 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 143.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1174 | A1172-F1174 VanDerWaalsContact C-N 3.34Š|
| 1173 | D | 67.3 | Low | 75 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 7 | -168.3 | -69.2 | 7.4 | 0 | 0 | 0 | 116.5 | N1171 V1184 K1189 | N1171-D1173 PolarHBondContact O-N 3.44Å; D1173-V1184 PolarHBondContact O-N 2.98Å; D1173-K1189 IonicContact OD1-NZ 3.18Å; D1173-K1189 PolarHBondContact OD1-NZ 3.24Å; D1173-K1189 IonicContact OD2-NZ 2.76Å; D1173-K1189 PolarHBondContact OD2-NZ 3.02Å |
| 1174 | F | 80.5 | Confident | 75.1 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 25% | 0.254 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142 | 173.2 | -62 | -105.4 | 0 | 0 | 0 | 113.7 | N1154 C1170 N1171 A1172 C1181 R1182 Q1183 | N1154-F1174 HydrophobicContact CB-CD1 3.71Å; N1154-F1174 HydrophobicContact CB-CD2 3.98Å; N1154-F1174 HydrophobicContact CB-CE1 3.73Å; N1154-F1174 HydrophobicContact CB-CE2 4Å; N1154-F1174 HydrophobicContact CB-CG 3.86Å; N1154-F1174 HydrophobicContact CB-CZ 3.88Å; N1154-F1174 VanDerWaalsContact CG-CE1 3.43Å; N1154-F1174 VanDerWaalsContact OD1-CZ 3.27Å; N1154-F1174 WeakPolarHBondContact OD1-CZ 3.45Å; C1170-F1174 HydrophobicContact CB-CB 4.14Å; C1170-F1174 WeakPolarHBondContact CB-O 3.46Å; N1171-F1174 PolarHBondContact O-N 3.47Å; A1172-F1174 VanDerWaalsContact C-N 3.34Å; F1174-C1181 HydrophobicContact CB-CB 3.93Å; F1174-C1181 HydrophobicContact CD1-CB 4.32Å; F1174-C1181 HydrophobicContact CG-CB 4.43Å; F1174-R1182 CarbonylContact C-O 3.51Å; F1174-R1182 WeakPolarHBondContact CA-O 3.24Å; F1174-R1182 WeakPolarHBondContact CB-O 3.47Å; F1174-Q1183 HydrophobicContact CD1-CB 4.18Å; F1174-Q1183 HydrophobicContact CE1-CB 3.96Å |
| 1175 | E | 69.8 | Low | 75.1 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.2 | 174.4 | 60.7 | 172.6 | -143.4 | 0 | 0 | 111.3 | C1181 R1182 V1184 | E1175-C1181 CarbonylContact O-C 3.56Å; E1175-C1181 WeakPolarHBondContact O-CA 3.3Å; E1175-R1182 HydrophobicContact CG-CB 4.01Å; E1175-R1182 PolarHBondContact N-O 3Å; E1175-R1182 PolarHBondContact O-N 2.92Å; E1175-V1184 HydrophobicContact CB-CG2 3.82Å; E1175-V1184 HydrophobicContact CG-CG2 3.94Å |
| 1176 | G | 75.9 | Confident | 75.2 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 140.6 | -174.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1178 | G1176-G1178 PolarHBondContact O-N 2.85Š|
| 1177 | D | 76.9 | Confident | 75.1 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -77.7 | 9.5 | -175 | 61.4 | 12.6 | 0 | 0 | 0 | 114.7 | Y1179 T1180 | D1177-Y1179 VanDerWaalsContact O-CD2 3.27Å; D1177-Y1179 WeakPolarHBondContact O-CD2 3.08Å; D1177-Y1179 PolarHBondContact O-N 3.28Å; D1177-Y1179 WeakPolarHBondContact OD1-CA 3.14Å; D1177-Y1179 WeakPolarHBondContact OD1-CB 3.31Å; D1177-Y1179 PolarHBondContact OD1-N 2.04Å; D1177-T1180 PolarHBondContact OD1-N 3.37Å |
| 1178 | G | 79.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 76.8 | -14.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1152 A1155 C1168 G1176 | D1152-G1178 PolarHBondContact N-O 2.67Å; A1155-G1178 VanDerWaalsContact CB-O 3.26Å; A1155-G1178 WeakPolarHBondContact CB-O 3.21Å; C1168-G1178 WeakPolarHBondContact CB-O 3.46Å; G1176-G1178 PolarHBondContact O-N 2.85Å |
| 1179 | Y | 80.9 | Confident | 73.3 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -101.7 | -22.9 | 174.8 | -61.5 | -83.1 | 0 | 0 | 0 | 112.2 | V1150 C1168 D1177 | V1150-Y1179 HydrophobicContact CG1-CE1 4.2Å; V1150-Y1179 VanDerWaalsContact O-CD1 3.3Å; V1150-Y1179 WeakPolarHBondContact O-CD1 3.46Å; V1150-Y1179 WeakPolarHBondContact O-CE1 3.42Å; C1168-Y1179 HydrophobicContact CB-CE1 4.41Å; C1168-Y1179 HydrophobicContact CB-CE2 4.29Å; D1177-Y1179 VanDerWaalsContact O-CD2 3.27Å; D1177-Y1179 WeakPolarHBondContact O-CD2 3.08Å; D1177-Y1179 PolarHBondContact O-N 3.28Å; D1177-Y1179 WeakPolarHBondContact OD1-CA 3.14Å; D1177-Y1179 WeakPolarHBondContact OD1-CB 3.31Å; D1177-Y1179 PolarHBondContact OD1-N 2.04Å |
| 1180 | T | 75.6 | Confident | 72.3 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 47% | 0.466 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -136.2 | 86.4 | 179 | -48.7 | 0 | 0 | 0 | 0 | 109.3 | D1177 | D1177-T1180 PolarHBondContact OD1-N 3.37Š|
| 1181 | C | 83 | Confident | 71.3 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -97.3 | 115.6 | -175.9 | -65 | 0 | 0 | 0 | 0 | 111.3 | D1152 N1154 C1170 F1174 E1175 | D1152-C1181 HydrophobicContact CB-CB 3.92Å; D1152-C1181 PolarHBondContact OD2-N 3.27Å; N1154-C1181 HydrophobicContact CB-CB 4.08Å; C1170-C1181 WeakPolarHBondContact CA-SG 3.02Å; C1170-C1181 HydrophobicContact CB-CB 3.92Å; C1170-C1181 WeakPolarHBondContact CB-SG 3.02Å; C1170-C1181 WeakPolarHBondContact SG-CB 3.44Å; C1170-C1181 CovalentContact SG-SG 2.04Å; C1170-C1181 PolarHBondContact SG-SG 3.42Å; F1174-C1181 HydrophobicContact CB-CB 3.93Å; F1174-C1181 HydrophobicContact CD1-CB 4.32Å; F1174-C1181 HydrophobicContact CG-CB 4.43Å; E1175-C1181 CarbonylContact O-C 3.56Å; E1175-C1181 WeakPolarHBondContact O-CA 3.3Å | ||
| 1182 | R | 75 | Confident | 70.8 | Confident | 160 Ų | 160 | 78.3 Ų | 78.3 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.6 | -177.5 | -48.4 | 174.5 | -173.9 | 171.8 | 2.2 | 109.5 | F1174 E1175 V1184 | F1174-R1182 CarbonylContact C-O 3.51Å; F1174-R1182 WeakPolarHBondContact CA-O 3.24Å; F1174-R1182 WeakPolarHBondContact CB-O 3.47Å; E1175-R1182 HydrophobicContact CG-CB 4.01Å; E1175-R1182 PolarHBondContact N-O 3Å; E1175-R1182 PolarHBondContact O-N 2.92Å; R1182-V1184 PolarHBondContact O-N 3.01Å |
| 1183 | Q | 65.6 | Low | 70.8 | Confident | 131 Ų | 131 | 75.8 Ų | 75.8 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128 | 177.8 | -173.6 | 177.8 | 4.2 | 0 | 0 | 110.6 | F1174 T1185 | F1174-Q1183 HydrophobicContact CD1-CB 4.18Å; F1174-Q1183 HydrophobicContact CE1-CB 3.96Å; Q1183-T1185 PolarHBondContact O-N 2.94Å |
| 1184 | V | 59.9 | Low | 71.4 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | trans | -72.6 | 112.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | D1173 E1175 R1182 | D1173-V1184 PolarHBondContact O-N 2.98Å; E1175-V1184 HydrophobicContact CB-CG2 3.82Å; E1175-V1184 HydrophobicContact CG-CG2 3.94Å; R1182-V1184 PolarHBondContact O-N 3.01Å | ||
| 1185 | T | 60.4 | Low | 71.4 | Confident | 78 Ų | 78 | 71 Ų | 71 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | trans | -102 | 102.6 | 171 | 47.5 | 0 | 0 | 0 | 0 | 111 | Q1183 | Q1183-T1185 PolarHBondContact O-N 2.94Š| ||
| 1186 | D | 61.5 | Low | 72 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 20% | 0.198 | 40% | 0.403 | C | S | . | . | trans | -103.7 | 166.1 | 175.4 | 61.6 | 52.2 | 0 | 0 | 0 | 112.1 | V1188 K1189 T1190 | D1186-V1188 PolarHBondContact O-N 2.93Å; D1186-V1188 VanDerWaalsContact OD1-CA 3.29Å; D1186-V1188 WeakPolarHBondContact OD1-CA 3.05Å; D1186-V1188 VanDerWaalsContact OD1-CB 3.25Å; D1186-V1188 WeakPolarHBondContact OD1-CB 3.5Å; D1186-V1188 PolarHBondContact OD1-N 3.31Å; D1186-K1189 WeakPolarHBondContact OD1-CB 3.42Å; D1186-K1189 WeakPolarHBondContact OD1-CG 3.47Å; D1186-K1189 PolarHBondContact OD1-N 2.61Å; D1186-T1190 PolarHBondContact O-N 3.01Å; D1186-T1190 VanDerWaalsContact O-N 3.14Å | ||
| 1187 | C | 72.1 | Confident | 72.4 | Confident | 19 Ų | 19 | 73 Ų | 73 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.9 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | C1200 V1201 | C1187-C1200 VanDerWaalsContact CA-SG 3.59Å; C1187-C1200 HydrophobicContact CB-CB 3.76Å; C1187-C1200 WeakPolarHBondContact CB-SG 3.26Å; C1187-C1200 WeakPolarHBondContact SG-CB 3.42Å; C1187-C1200 CovalentContact SG-SG 2.04Å; C1187-C1200 PolarHBondContact SG-SG 3.2Å; C1187-V1201 PolarHBondContact SG-N 2.7Å |
| 1188 | V | 67.2 | Low | 72.6 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 78% | 0.782 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -39.2 | -175.7 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | D1186 | D1186-V1188 PolarHBondContact O-N 2.93Å; D1186-V1188 VanDerWaalsContact OD1-CA 3.29Å; D1186-V1188 WeakPolarHBondContact OD1-CA 3.05Å; D1186-V1188 VanDerWaalsContact OD1-CB 3.25Å; D1186-V1188 WeakPolarHBondContact OD1-CB 3.5Å; D1186-V1188 PolarHBondContact OD1-N 3.31Å |
| 1189 | K | 61.7 | Low | 72.7 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -31.4 | 178.8 | -63.2 | 177.6 | -172.3 | -177.9 | 0 | 112.3 | D1173 D1186 | D1173-K1189 IonicContact OD1-NZ 3.18Å; D1173-K1189 PolarHBondContact OD1-NZ 3.24Å; D1173-K1189 IonicContact OD2-NZ 2.76Å; D1173-K1189 PolarHBondContact OD2-NZ 3.02Å; D1186-K1189 WeakPolarHBondContact OD1-CB 3.42Å; D1186-K1189 WeakPolarHBondContact OD1-CG 3.47Å; D1186-K1189 PolarHBondContact OD1-N 2.61Å |
| 1190 | T | 64.5 | Low | 72.7 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | trans | -128.9 | 75.9 | -179.1 | -45 | 0 | 0 | 0 | 0 | 112.8 | D1186 S1192 L1193 | D1186-T1190 PolarHBondContact O-N 3.01Å; D1186-T1190 VanDerWaalsContact O-N 3.14Å; T1190-S1192 PolarHBondContact O-N 2.94Å; T1190-L1193 HydrophobicContact CG2-CD2 4.39Å; T1190-L1193 HydrophobicContact CG2-CG 4.09Å; T1190-L1193 WeakPolarHBondContact O-CD1 3.35Å; T1190-L1193 WeakPolarHBondContact O-CG 3.48Å | ||
| 1191 | P | 64.6 | Low | 72.7 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -64.4 | -11.8 | 179.2 | -24 | 35.2 | 0 | 0 | 0 | 115.5 | L1193 | P1191-L1193 VanDerWaalsContact C-N 3.31Å; P1191-L1193 PolarHBondContact O-N 3.23Å |
| 1192 | S | 71.6 | Confident | 71.6 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -91.1 | 29 | -176.5 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | T1190 C1194 | T1190-S1192 PolarHBondContact O-N 2.94Å; S1192-C1194 VanDerWaalsContact C-N 3.32Å |
| 1193 | L | 73.3 | Confident | 70.6 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -82 | -9.7 | 177.5 | -73 | 165.2 | 0 | 0 | 0 | 113.5 | T1190 P1191 Y1207 F1220 | T1190-L1193 HydrophobicContact CG2-CD2 4.39Å; T1190-L1193 HydrophobicContact CG2-CG 4.09Å; T1190-L1193 WeakPolarHBondContact O-CD1 3.35Å; T1190-L1193 WeakPolarHBondContact O-CG 3.48Å; P1191-L1193 VanDerWaalsContact C-N 3.31Å; P1191-L1193 PolarHBondContact O-N 3.23Å; L1193-Y1207 HydrophobicContact CB-CD2 4.04Å; L1193-Y1207 HydrophobicContact CB-CE2 3.94Å; L1193-Y1207 HydrophobicContact CD1-CD1 4.1Å; L1193-Y1207 HydrophobicContact CD1-CD2 4.07Å; L1193-Y1207 HydrophobicContact CD1-CE1 4.35Å; L1193-Y1207 HydrophobicContact CD1-CE2 4.31Å; L1193-Y1207 HydrophobicContact CD1-CG 3.97Å; L1193-Y1207 HydrophobicContact CD2-CE1 4.38Å; L1193-Y1207 HydrophobicContact CD2-CE2 4.19Å; L1193-Y1207 HydrophobicContact CG-CE2 4.37Å; L1193-F1220 WeakPolarHBondContact O-CD1 3.48Å |
| 1194 | C | 80.3 | Confident | 69.7 | Low | 20 Ų | 20 | 66.8 Ų | 66.8 | 14% | 0.135 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -127.9 | 177.1 | -173.7 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S1192 A1198 C1200 C1209 G1219 | S1192-C1194 VanDerWaalsContact C-N 3.32Å; C1194-A1198 HydrophobicContact CB-CB 3.9Å; C1194-C1200 WeakPolarHBondContact SG-CA 3.35Å; C1194-C1209 WeakPolarHBondContact CA-SG 3.49Å; C1194-C1209 HydrophobicContact CB-CB 3.62Å; C1194-C1209 WeakPolarHBondContact CB-SG 3.2Å; C1194-C1209 WeakPolarHBondContact SG-CA 3.03Å; C1194-C1209 WeakPolarHBondContact SG-CB 3.46Å; C1194-C1209 CovalentContact SG-SG 2.03Å; C1194-C1209 PolarHBondContact SG-SG 2.79Å; C1194-G1219 WeakPolarHBondContact CB-O 3.2Å |
| 1195 | D | 80.5 | Confident | 69.1 | Low | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | trans | -62 | 157.9 | 176.2 | -170.2 | -121.9 | 0 | 0 | 0 | 113.5 | N1197 A1198 G1219 T1221 C1222 | D1195-N1197 PolarHBondContact O-N 2.79Å; D1195-N1197 VanDerWaalsContact O-N 3.16Å; D1195-N1197 WeakPolarHBondContact OD1-CA 3.24Å; D1195-N1197 VanDerWaalsContact OD1-CB 3.22Å; D1195-N1197 WeakPolarHBondContact OD1-CB 3.44Å; D1195-N1197 PolarHBondContact OD1-N 2.93Å; D1195-N1197 PolarHBondContact OD1-ND2 2.93Å; D1195-A1198 HydrophobicContact CB-CB 3.88Å; D1195-A1198 PolarHBondContact O-N 2.82Å; D1195-G1219 PolarHBondContact N-O 2.6Å; D1195-T1221 VanDerWaalsContact CB-CA 3.45Å; D1195-T1221 WeakPolarHBondContact CB-O 3.44Å; D1195-C1222 VanDerWaalsContact CG-N 3.3Å; D1195-C1222 PolarHBondContact OD1-N 3.19Å | ||
| 1196 | Q | 82.1 | Confident | 68.8 | Low | 158 Ų | 158 | 78.5 Ų | 78.5 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.1 | 167.1 | 61.1 | 174.7 | -0.9 | 0 | 0 | 113.1 | K1212 | Q1196-K1212 PolarHBondContact O-NZ 3.22Š|
| 1197 | N | 84.6 | Confident | 69 | Low | 35 Ų | 35 | 81.2 Ų | 81.2 | 19% | 0.187 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 12.7 | 175.7 | -61.1 | -51.6 | 0 | 0 | 0 | 113.2 | D1195 K1212 Y1215 C1222 | D1195-N1197 PolarHBondContact O-N 2.79Å; D1195-N1197 VanDerWaalsContact O-N 3.16Å; D1195-N1197 WeakPolarHBondContact OD1-CA 3.24Å; D1195-N1197 VanDerWaalsContact OD1-CB 3.22Å; D1195-N1197 WeakPolarHBondContact OD1-CB 3.44Å; D1195-N1197 PolarHBondContact OD1-N 2.93Å; D1195-N1197 PolarHBondContact OD1-ND2 2.93Å; N1197-K1212 WeakPolarHBondContact O-CB 3.49Å; N1197-K1212 WeakPolarHBondContact O-CD 3.32Å; N1197-K1212 WeakPolarHBondContact O-CG 3.37Å; N1197-K1212 PolarHBondContact O-N 3.05Å; N1197-Y1215 HydrophobicContact CB-CD1 4.29Å; N1197-Y1215 HydrophobicContact CB-CD2 4.38Å; N1197-Y1215 HydrophobicContact CB-CE1 4.3Å; N1197-Y1215 HydrophobicContact CB-CE2 4.37Å; N1197-Y1215 HydrophobicContact CB-CG 4.38Å; N1197-C1222 VanDerWaalsContact C-SG 3.51Å; N1197-C1222 HydrophobicContact CB-CB 3.64Å; N1197-C1222 PolarHBondContact O-SG 2.86Å |
| 1198 | A | 80.9 | Confident | 68.9 | Low | 8 Ų | 8 | 82.7 Ų | 82.7 | 7% | 0.066 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1194 D1195 R1210 K1212 G1219 | C1194-A1198 HydrophobicContact CB-CB 3.9Å; D1195-A1198 HydrophobicContact CB-CB 3.88Å; D1195-A1198 PolarHBondContact O-N 2.82Å; A1198-R1210 CarbonylContact C-O 3.57Å; A1198-R1210 VanDerWaalsContact CA-O 3.23Å; A1198-R1210 WeakPolarHBondContact CA-O 3.3Å; A1198-R1210 WeakPolarHBondContact CB-O 3.31Å; A1198-K1212 WeakPolarHBondContact O-CE 3.36Å; A1198-K1212 PolarHBondContact O-NZ 3.36Å; A1198-G1219 WeakPolarHBondContact CB-O 3.4Å |
| 1199 | V | 81.7 | Confident | 69.3 | Low | 70 Ų | 70 | 77 Ų | 77 | 42% | 0.424 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.9 | -177.9 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | V1201 C1209 R1210 K1212 | V1199-V1201 HydrophobicContact CG1-CG1 4.25Å; V1199-C1209 WeakPolarHBondContact O-CA 3.4Å; V1199-R1210 PolarHBondContact N-O 2.03Å; V1199-R1210 PolarHBondContact O-N 2.03Å; V1199-K1212 HydrophobicContact CG2-CG 3.96Å |
| 1200 | C | 81.1 | Confident | 69.9 | Low | 21 Ų | 21 | 78 Ų | 78 | 14% | 0.142 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.4 | 169.4 | -167.2 | 0 | 0 | 0 | 0 | 109 | C1187 C1194 | C1187-C1200 VanDerWaalsContact CA-SG 3.59Å; C1187-C1200 HydrophobicContact CB-CB 3.76Å; C1187-C1200 WeakPolarHBondContact CB-SG 3.26Å; C1187-C1200 WeakPolarHBondContact SG-CB 3.42Å; C1187-C1200 CovalentContact SG-SG 2.04Å; C1187-C1200 PolarHBondContact SG-SG 3.2Å; C1194-C1200 WeakPolarHBondContact SG-CA 3.35Å |
| 1201 | V | 75.6 | Confident | 70.3 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.3 | 171.4 | -70.3 | 0 | 0 | 0 | 0 | 109.6 | C1187 V1199 Y1207 V1208 R1210 | C1187-V1201 PolarHBondContact SG-N 2.7Å; V1199-V1201 HydrophobicContact CG1-CG1 4.25Å; V1201-Y1207 WeakPolarHBondContact O-CA 3.23Å; V1201-V1208 HydrophobicContact CG2-CB 4.18Å; V1201-V1208 WeakPolarHBondContact CG2-O 3.47Å; V1201-V1208 PolarHBondContact N-O 2.85Å; V1201-V1208 PolarHBondContact O-N 2.95Å; V1201-R1210 HydrophobicContact CG2-CG 4.29Å |
| 1202 | S | 60.4 | Low | 70.8 | Confident | 72 Ų | 72 | 77 Ų | 77 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126 | 175.1 | -73.2 | 0 | 0 | 0 | 0 | 110.9 | R1206 | S1202-R1206 CarbonylContact C-O 3.5Å; S1202-R1206 WeakPolarHBondContact CA-O 3.1Å |
| 1203 | E | 52.8 | Low | 70.5 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.3 | 177.4 | -67.5 | -175.1 | 128.2 | 0 | 0 | 108.5 | M1205 R1206 V1208 R1210 | E1203-M1205 VanDerWaalsContact C-N 3.28Å; E1203-M1205 PolarHBondContact O-N 3.11Å; E1203-R1206 PolarHBondContact N-O 2.72Å; E1203-R1206 WeakPolarHBondContact O-CA 3.45Å; E1203-R1206 WeakPolarHBondContact O-CB 3.46Å; E1203-R1206 PolarHBondContact O-N 3.24Å; E1203-V1208 HydrophobicContact CB-CG2 4.35Å; E1203-R1210 IonicContact OE1-CZ 3.47Å; E1203-R1210 IonicContact OE1-NH1 2.89Å; E1203-R1210 IonicContact OE1-NH2 3.82Å; E1203-R1210 PolarHBondContact OE1-NH2 2.84Å; E1203-R1210 IonicContact OE2-CZ 3.91Å; E1203-R1210 IonicContact OE2-NH2 3.98Å; E1203-R1210 PolarHBondContact OE2-NH2 2.71Å |
| 1204 | N | 47.3 | Very low | 70 | Confident | 168 Ų | 168 | 81.5 Ų | 81.5 | 90% | 0.898 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 46.9 | -178.7 | -59.5 | 0.2 | 0 | 0 | 0 | 113.5 | R1206 | N1204-R1206 PolarHBondContact O-N 2.96Š|
| 1205 | M | 47.4 | Very low | 69.4 | Low | 200 Ų | 200 | 84.6 Ų | 84.6 | 99% | 0.985 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 6.5 | -174.4 | -55.8 | -161.2 | -66.9 | 0 | 0 | 116.3 | E1203 | E1203-M1205 VanDerWaalsContact C-N 3.28Å; E1203-M1205 PolarHBondContact O-N 3.11Å |
| 1206 | R | 53.2 | Low | 68.4 | Low | 173 Ų | 173 | 84.4 Ų | 84.4 | 65% | 0.653 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 167.3 | 169.2 | -124.1 | 175 | -175.3 | -178 | 1.6 | 110.4 | S1202 E1203 N1204 | S1202-R1206 CarbonylContact C-O 3.5Å; S1202-R1206 WeakPolarHBondContact CA-O 3.1Å; E1203-R1206 PolarHBondContact N-O 2.72Å; E1203-R1206 WeakPolarHBondContact O-CA 3.45Å; E1203-R1206 WeakPolarHBondContact O-CB 3.46Å; E1203-R1206 PolarHBondContact O-N 3.24Å; N1204-R1206 PolarHBondContact O-N 2.96Å |
| 1207 | Y | 66.9 | Low | 67.3 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 37% | 0.365 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.4 | 165.6 | 71.6 | -89.9 | 0 | 0 | 0 | 110.9 | L1193 V1201 F1220 | L1193-Y1207 HydrophobicContact CB-CD2 4.04Å; L1193-Y1207 HydrophobicContact CB-CE2 3.94Å; L1193-Y1207 HydrophobicContact CD1-CD1 4.1Å; L1193-Y1207 HydrophobicContact CD1-CD2 4.07Å; L1193-Y1207 HydrophobicContact CD1-CE1 4.35Å; L1193-Y1207 HydrophobicContact CD1-CE2 4.31Å; L1193-Y1207 HydrophobicContact CD1-CG 3.97Å; L1193-Y1207 HydrophobicContact CD2-CE1 4.38Å; L1193-Y1207 HydrophobicContact CD2-CE2 4.19Å; L1193-Y1207 HydrophobicContact CG-CE2 4.37Å; V1201-Y1207 WeakPolarHBondContact O-CA 3.23Å; Y1207-F1220 HydrophobicContact CE2-CE1 4.25Å |
| 1208 | V | 68.9 | Low | 65.8 | Low | 51 Ų | 51 | 77.2 Ų | 77.2 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.9 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | V1201 E1203 R1210 | V1201-V1208 HydrophobicContact CG2-CB 4.18Å; V1201-V1208 WeakPolarHBondContact CG2-O 3.47Å; V1201-V1208 PolarHBondContact N-O 2.85Å; V1201-V1208 PolarHBondContact O-N 2.95Å; E1203-V1208 HydrophobicContact CB-CG2 4.35Å; V1208-R1210 HydrophobicContact CG1-CG 4.48Å |
| 1209 | C | 76.6 | Confident | 65.2 | Low | 8 Ų | 8 | 76.9 Ų | 76.9 | 5% | 0.054 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.1 | 176.4 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | C1194 V1199 G1219 F1220 | C1194-C1209 WeakPolarHBondContact CA-SG 3.49Å; C1194-C1209 HydrophobicContact CB-CB 3.62Å; C1194-C1209 WeakPolarHBondContact CB-SG 3.2Å; C1194-C1209 WeakPolarHBondContact SG-CA 3.03Å; C1194-C1209 WeakPolarHBondContact SG-CB 3.46Å; C1194-C1209 CovalentContact SG-SG 2.03Å; C1194-C1209 PolarHBondContact SG-SG 2.79Å; V1199-C1209 WeakPolarHBondContact O-CA 3.4Å; C1209-G1219 WeakPolarHBondContact CB-O 3.48Å; C1209-F1220 HydrophobicContact CB-CD1 4.36Å; C1209-F1220 HydrophobicContact CB-CD2 3.68Å; C1209-F1220 HydrophobicContact CB-CE1 4.27Å; C1209-F1220 HydrophobicContact CB-CE2 3.56Å; C1209-F1220 HydrophobicContact CB-CG 4.09Å; C1209-F1220 HydrophobicContact CB-CZ 3.88Å; C1209-F1220 WeakPolarHBondContact SG-CE1 3.13Å; C1209-F1220 VanDerWaalsContact SG-CZ 3.56Å |
| 1210 | R | 73.7 | Confident | 64.6 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.6 | 178.9 | -63.1 | -179.4 | 176.6 | 172 | -3.1 | 110.3 | A1198 V1199 V1201 E1203 V1208 | A1198-R1210 CarbonylContact C-O 3.57Å; A1198-R1210 VanDerWaalsContact CA-O 3.23Å; A1198-R1210 WeakPolarHBondContact CA-O 3.3Å; A1198-R1210 WeakPolarHBondContact CB-O 3.31Å; V1199-R1210 PolarHBondContact N-O 2.03Å; V1199-R1210 PolarHBondContact O-N 2.03Å; V1201-R1210 HydrophobicContact CG2-CG 4.29Å; E1203-R1210 IonicContact OE1-CZ 3.47Å; E1203-R1210 IonicContact OE1-NH1 2.89Å; E1203-R1210 IonicContact OE1-NH2 3.82Å; E1203-R1210 PolarHBondContact OE1-NH2 2.84Å; E1203-R1210 IonicContact OE2-CZ 3.91Å; E1203-R1210 IonicContact OE2-NH2 3.98Å; E1203-R1210 PolarHBondContact OE2-NH2 2.71Å; V1208-R1210 HydrophobicContact CG1-CG 4.48Å |
| 1211 | C | 73.7 | Confident | 63.6 | Low | 33 Ų | 33 | 76.8 Ų | 76.8 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 148.9 | 177.7 | -79.1 | 0 | 0 | 0 | 0 | 113.3 | E1028 G1219 C1222 | E1028-C1211 VanDerWaalsContact CD-SG 3.56Å; E1028-C1211 PolarHBondContact OE1-SG 2.86Å; E1028-C1211 VanDerWaalsContact OE1-SG 3.4Å; E1028-C1211 PolarHBondContact OE2-SG 2.88Å; C1211-G1219 VanDerWaalsContact SG-CA 3.51Å; C1211-G1219 PolarHBondContact SG-N 2.87Å; C1211-C1222 VanDerWaalsContact CA-SG 3.51Å; C1211-C1222 HydrophobicContact CB-CB 4.07Å; C1211-C1222 WeakPolarHBondContact CB-SG 3.44Å; C1211-C1222 WeakPolarHBondContact SG-CB 3.3Å; C1211-C1222 CovalentContact SG-SG 2.04Å; C1211-C1222 PolarHBondContact SG-SG 3.32Å |
| 1212 | K | 75 | Confident | 63.1 | Low | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 147.7 | 169 | -66.2 | 162.1 | -164.4 | 156.3 | 0 | 108.7 | Q1196 N1197 A1198 V1199 G1214 Y1215 | Q1196-K1212 PolarHBondContact O-NZ 3.22Å; N1197-K1212 WeakPolarHBondContact O-CB 3.49Å; N1197-K1212 WeakPolarHBondContact O-CD 3.32Å; N1197-K1212 WeakPolarHBondContact O-CG 3.37Å; N1197-K1212 PolarHBondContact O-N 3.05Å; A1198-K1212 WeakPolarHBondContact O-CE 3.36Å; A1198-K1212 PolarHBondContact O-NZ 3.36Å; V1199-K1212 HydrophobicContact CG2-CG 3.96Å; K1212-G1214 PolarHBondContact O-N 2.93Å; K1212-Y1215 PolarHBondContact O-N 2.92Å |
| 1213 | Q | 65.6 | Low | 63.3 | Low | 201 Ų | 201 | 72.3 Ų | 72.3 | 94% | 0.939 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 132.7 | 179.1 | -167.2 | 175.4 | 28.5 | 0 | 0 | 112.4 | ||
| 1214 | G | 61.8 | Low | 63.8 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 6.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1212 D1225 | K1212-G1214 PolarHBondContact O-N 2.93Å; G1214-D1225 WeakPolarHBondContact CA-OD2 3.12Å; G1214-D1225 PolarHBondContact O-N 3.25Å |
| 1215 | Y | 68.8 | Low | 64.1 | Low | 85 Ų | 85 | 67 Ų | 67 | 33% | 0.333 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -138.6 | 156.6 | 174.7 | -58 | -110.1 | 0 | 0 | 0 | 112 | N1197 K1212 C1222 R1223 P1224 D1225 | N1197-Y1215 HydrophobicContact CB-CD1 4.29Å; N1197-Y1215 HydrophobicContact CB-CD2 4.38Å; N1197-Y1215 HydrophobicContact CB-CE1 4.3Å; N1197-Y1215 HydrophobicContact CB-CE2 4.37Å; N1197-Y1215 HydrophobicContact CB-CG 4.38Å; K1212-Y1215 PolarHBondContact O-N 2.92Å; Y1215-C1222 HydrophobicContact CD1-CB 3.74Å; Y1215-C1222 HydrophobicContact CG-CB 3.78Å; Y1215-R1223 CarbonylContact C-O 3.55Å; Y1215-R1223 WeakPolarHBondContact CA-O 3.15Å; Y1215-R1223 WeakPolarHBondContact CB-O 3.33Å; Y1215-P1224 HydrophobicContact CD1-CB 4.07Å; Y1215-P1224 VanDerWaalsContact CD1-N 3.33Å; Y1215-P1224 HydrophobicContact CE1-CB 3.95Å; Y1215-D1225 PolarHBondContact N-OD2 2.84Å |
| 1216 | H | 59.5 | Low | 64.2 | Low | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.111 | 30% | 0.303 | C | S | . | . | trans | -141.4 | 130.3 | -171.2 | 61.2 | -93.1 | 0 | 0 | 0 | 118.9 | E1028 R1223 D1225 K1253 | E1028-H1216 WeakPolarHBondContact CG-O 3.04Å; H1216-R1223 PolarHBondContact N-O 2.98Å; H1216-D1225 IonicContact CE1-OD1 2.58Å; H1216-D1225 IonicContact CG-OD1 2.7Å; H1216-D1225 IonicContact ND1-OD1 3.39Å; H1216-D1225 PolarHBondContact ND1-OD1 2.97Å; H1216-K1253 HydrophobicContact CB-CB 3.68Å; H1216-K1253 HydrophobicContact CB-CD 3.64Å; H1216-K1253 HydrophobicContact CB-CG 4.19Å | ||
| 1217 | G | 58.5 | Low | 64.2 | Low | 31 Ų | 31 | 60.8 Ų | 60.8 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 138 | -139.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1028 | E1028-G1217 PolarHBondContact OE1-N 2.86Å; E1028-G1217 WeakPolarHBondContact OE2-CA 3.43Å |
| 1218 | S | 53.3 | Low | 63.5 | Low | 11 Ų | 11 | 62.6 Ų | 62.6 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | trans | -44.9 | -52.4 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 123.6 | D1024 E1025 R1026 E1028 F1220 | D1024-S1218 WeakPolarHBondContact O-CB 3.49Å; D1024-S1218 PolarHBondContact O-N 2.83Å; D1024-S1218 PolarHBondContact O-OG 2.75Å; E1025-S1218 WeakPolarHBondContact O-CA 3.29Å; E1025-S1218 WeakPolarHBondContact O-CB 3.44Å; R1026-S1218 WeakPolarHBondContact O-CB 3.48Å; R1026-S1218 PolarHBondContact O-OG 2.82Å; E1028-S1218 WeakPolarHBondContact CA-OG 3.39Å; E1028-S1218 WeakPolarHBondContact CB-OG 3.35Å; E1028-S1218 WeakPolarHBondContact CG-OG 3.28Å; E1028-S1218 PolarHBondContact N-OG 3.33Å; E1028-S1218 VanDerWaalsContact N-OG 3.09Å; E1028-S1218 WeakPolarHBondContact OE2-CA 3.17Å; E1028-S1218 WeakPolarHBondContact OE2-CB 3.22Å; E1028-S1218 PolarHBondContact OE2-N 3.25Å; E1028-S1218 PolarHBondContact OE2-OG 2.89Å; S1218-F1220 PolarHBondContact OG-N 2.92Å | ||
| 1219 | G | 68.5 | Low | 63.1 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 89.9 | 2.2 | -150.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | E1028 C1194 D1195 A1198 C1209 C1211 T1221 | E1028-G1219 PolarHBondContact OE2-N 2.9Å; C1194-G1219 WeakPolarHBondContact CB-O 3.2Å; D1195-G1219 PolarHBondContact N-O 2.6Å; A1198-G1219 WeakPolarHBondContact CB-O 3.4Å; C1209-G1219 WeakPolarHBondContact CB-O 3.48Å; C1211-G1219 VanDerWaalsContact SG-CA 3.51Å; C1211-G1219 PolarHBondContact SG-N 2.87Å; G1219-T1221 CarbonylContact C-O 3.49Å |
| 1220 | F | 67.7 | Low | 62.3 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -124.9 | 4 | 172.1 | -27.8 | -139.8 | 0 | 0 | 0 | 116 | R1026 L1193 Y1207 C1209 S1218 | R1026-F1220 HydrophobicContact CB-CD2 3.77Å; R1026-F1220 HydrophobicContact CB-CE2 3.88Å; R1026-F1220 HydrophobicContact CB-CG 4.28Å; R1026-F1220 HydrophobicContact CB-CZ 4.45Å; R1026-F1220 HydrophobicContact CG-CD2 4.12Å; R1026-F1220 HydrophobicContact CG-CE2 3.69Å; R1026-F1220 HydrophobicContact CG-CZ 4.16Å; R1026-F1220 CarbonylContact O-C 3.55Å; R1026-F1220 VanDerWaalsContact O-C 3.25Å; R1026-F1220 WeakPolarHBondContact O-CA 3.39Å; R1026-F1220 WeakPolarHBondContact O-CB 3.15Å; R1026-F1220 WeakPolarHBondContact O-CD2 3.31Å; R1026-F1220 WeakPolarHBondContact O-CG 3.49Å; R1026-F1220 PolarHBondContact O-N 3.48Å; L1193-F1220 WeakPolarHBondContact O-CD1 3.48Å; Y1207-F1220 HydrophobicContact CE2-CE1 4.25Å; C1209-F1220 HydrophobicContact CB-CD1 4.36Å; C1209-F1220 HydrophobicContact CB-CD2 3.68Å; C1209-F1220 HydrophobicContact CB-CE1 4.27Å; C1209-F1220 HydrophobicContact CB-CE2 3.56Å; C1209-F1220 HydrophobicContact CB-CG 4.09Å; C1209-F1220 HydrophobicContact CB-CZ 3.88Å; C1209-F1220 WeakPolarHBondContact SG-CE1 3.13Å; C1209-F1220 VanDerWaalsContact SG-CZ 3.56Å; S1218-F1220 PolarHBondContact OG-N 2.92Å |
| 1221 | T | 60.6 | Low | 62.2 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | S | Bend | -118.7 | -172.2 | 123.6 | -71.7 | 0 | 0 | 0 | 0 | 105.1 | R1026 S1027 E1028 Q1029 D1195 G1219 | R1026-T1221 PolarHBondContact O-N 2.84Å; S1027-T1221 WeakPolarHBondContact O-CB 3.24Å; S1027-T1221 PolarHBondContact O-N 2.92Å; S1027-T1221 PolarHBondContact O-OG1 2.85Å; E1028-T1221 VanDerWaalsContact CB-C 3.45Å; E1028-T1221 VanDerWaalsContact CB-CB 3.49Å; E1028-T1221 HydrophobicContact CB-CG2 4.17Å; E1028-T1221 WeakPolarHBondContact CB-O 3.27Å; E1028-T1221 VanDerWaalsContact OE2-O 3.06Å; Q1029-T1221 PolarHBondContact NE2-OG1 2.8Å; D1195-T1221 VanDerWaalsContact CB-CA 3.45Å; D1195-T1221 WeakPolarHBondContact CB-O 3.44Å; G1219-T1221 CarbonylContact C-O 3.49Å | |
| 1222 | C | 64.5 | Low | 62.7 | Low | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | trans | -133.7 | 145.1 | 143.4 | -49.2 | 0 | 0 | 0 | 0 | 115.2 | E1028 D1195 N1197 C1211 Y1215 | E1028-C1222 VanDerWaalsContact CD-CA 3.44Å; E1028-C1222 WeakPolarHBondContact OE1-CA 3.4Å; E1028-C1222 WeakPolarHBondContact OE1-CB 3.4Å; D1195-C1222 VanDerWaalsContact CG-N 3.3Å; D1195-C1222 PolarHBondContact OD1-N 3.19Å; N1197-C1222 VanDerWaalsContact C-SG 3.51Å; N1197-C1222 HydrophobicContact CB-CB 3.64Å; N1197-C1222 PolarHBondContact O-SG 2.86Å; C1211-C1222 VanDerWaalsContact CA-SG 3.51Å; C1211-C1222 HydrophobicContact CB-CB 4.07Å; C1211-C1222 WeakPolarHBondContact CB-SG 3.44Å; C1211-C1222 WeakPolarHBondContact SG-CB 3.3Å; C1211-C1222 CovalentContact SG-SG 2.04Å; C1211-C1222 PolarHBondContact SG-SG 3.32Å; Y1215-C1222 HydrophobicContact CD1-CB 3.74Å; Y1215-C1222 HydrophobicContact CG-CB 3.78Å | ||
| 1223 | R | 64.7 | Low | 63.4 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -99 | 127.2 | 175.7 | -70.5 | -176.4 | -172.4 | -177.1 | 6.3 | 112.7 | I1022 E1028 Q1029 Y1030 Y1215 H1216 | I1022-R1223 PolarHBondContact O-NH2 3.05Å; E1028-R1223 HydrophobicContact CG-CG 4.19Å; E1028-R1223 WeakPolarHBondContact O-CG 3.34Å; E1028-R1223 PolarHBondContact O-NE 2.89Å; E1028-R1223 PolarHBondContact OE1-N 3.42Å; Q1029-R1223 PolarHBondContact O-NH2 3.17Å; Y1030-R1223 HydrophobicContact CE2-CG 4.42Å; Y1030-R1223 VanDerWaalsContact CG-NH2 3.32Å; Y1215-R1223 CarbonylContact C-O 3.55Å; Y1215-R1223 WeakPolarHBondContact CA-O 3.15Å; Y1215-R1223 WeakPolarHBondContact CB-O 3.33Å; H1216-R1223 PolarHBondContact N-O 2.98Å |
| 1224 | P | 63 | Low | 64.7 | Low | 90 Ų | 90 | 52.6 Ų | 52.6 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -67.2 | 142.4 | -178.7 | 28.4 | -35.1 | 0 | 0 | 0 | 111.9 | Y1215 S1226 | Y1215-P1224 HydrophobicContact CD1-CB 4.07Å; Y1215-P1224 VanDerWaalsContact CD1-N 3.33Å; Y1215-P1224 HydrophobicContact CE1-CB 3.95Å; P1224-S1226 PolarHBondContact O-N 2.7Å |
| 1225 | D | 54 | Low | 66.2 | Low | 48 Ų | 48 | 50.9 Ų | 50.9 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 116.7 | 178.5 | -76.1 | -43.6 | 0 | 0 | 0 | 112.9 | G1214 Y1215 H1216 R1227 K1253 | G1214-D1225 WeakPolarHBondContact CA-OD2 3.12Å; G1214-D1225 PolarHBondContact O-N 3.25Å; Y1215-D1225 PolarHBondContact N-OD2 2.84Å; H1216-D1225 IonicContact CE1-OD1 2.58Å; H1216-D1225 IonicContact CG-OD1 2.7Å; H1216-D1225 IonicContact ND1-OD1 3.39Å; H1216-D1225 PolarHBondContact ND1-OD1 2.97Å; D1225-R1227 PolarHBondContact O-N 2.91Å; D1225-K1253 VanDerWaalsContact CG-NZ 3.27Å; D1225-K1253 WeakPolarHBondContact OD1-CD 3.42Å; D1225-K1253 WeakPolarHBondContact OD1-CE 2.98Å; D1225-K1253 IonicContact OD1-NZ 3.25Å; D1225-K1253 PolarHBondContact OD1-NZ 2.75Å; D1225-K1253 IonicContact OD2-NZ 3.57Å |
| 1226 | S | 50.8 | Low | 67.3 | Low | 54 Ų | 54 | 46.9 Ų | 46.9 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | trans | -80.3 | 102.3 | -175.9 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | P1224 I1228 | P1224-S1226 PolarHBondContact O-N 2.7Å; S1226-I1228 PolarHBondContact O-N 3.46Å | ||
| 1227 | R | 51.5 | Low | 68.7 | Low | 188 Ų | 188 | 46.4 Ų | 46.4 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | trans | -70.9 | 31.3 | 167.6 | -66.9 | -179 | 161.2 | -175.1 | -9.5 | 113.9 | D1225 D1291 | D1225-R1227 PolarHBondContact O-N 2.91Å; R1227-D1291 HydrophobicContact CG-CB 4.08Å; R1227-D1291 IonicContact CZ-OD2 2.84Å; R1227-D1291 IonicContact NE-OD2 3.85Å; R1227-D1291 PolarHBondContact NE-OD2 2.98Å; R1227-D1291 IonicContact NH2-OD2 2.76Å; R1227-D1291 PolarHBondContact NH2-OD2 3.43Å | ||
| 1228 | I | 53.1 | Low | 69.8 | Low | 131 Ų | 131 | 45 Ų | 45 | 67% | 0.672 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -125.8 | 125 | -169.3 | -54.2 | 178.5 | 0 | 0 | 0 | 108.7 | S1226 G1230 | S1226-I1228 PolarHBondContact O-N 3.46Å; I1228-G1230 PolarHBondContact O-N 2.76Å |
| 1229 | R | 59.9 | Low | 71.1 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | trans | -55.2 | 119.2 | 171.6 | -59.3 | 173.6 | -165.2 | -167.1 | -6.8 | 109.7 | C1270 D1273 L1290 C1490 | R1229-C1270 PolarHBondContact NH1-O 2.88Å; R1229-C1270 PolarHBondContact NH2-O 2.87Å; R1229-C1270 VanDerWaalsContact NH2-O 3.1Å; R1229-D1273 WeakPolarHBondContact CD-OD1 3.48Å; R1229-D1273 WeakPolarHBondContact CG-OD1 3.34Å; R1229-D1273 IonicContact CZ-OD1 2.82Å; R1229-D1273 IonicContact CZ-OD2 3.52Å; R1229-D1273 VanDerWaalsContact CZ-OD2 3.23Å; R1229-D1273 IonicContact NE-OD1 2.69Å; R1229-D1273 PolarHBondContact NE-OD1 2.81Å; R1229-D1273 IonicContact NE-OD2 2.74Å; R1229-D1273 PolarHBondContact NE-OD2 3.05Å; R1229-D1273 VanDerWaalsContact NH2-CG 3.29Å; R1229-D1273 IonicContact NH2-OD1 3.23Å; R1229-D1273 IonicContact NH2-OD2 3.56Å; R1229-D1273 PolarHBondContact NH2-OD2 3.45Å; R1229-L1290 HydrophobicContact CG-CD2 4.49Å; R1229-C1490 PolarHBondContact NH1-SG 2.81Å | ||
| 1230 | G | 60.6 | Low | 72 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | trans | 174.5 | 106.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1228 T1232 | I1228-G1230 PolarHBondContact O-N 2.76Å; G1230-T1232 VanDerWaalsContact C-N 3.32Å; G1230-T1232 PolarHBondContact O-N 3.48Å; G1230-T1232 VanDerWaalsContact O-N 3.16Å | ||
| 1231 | R | 71.4 | Confident | 73 | Confident | 167 Ų | 167 | 45.1 Ų | 45.1 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 56.2 | 32.9 | 156.4 | -55 | -174.8 | 91.9 | 168.8 | 4 | 117 | F1246 | R1231-F1246 VanDerWaalsContact CA-CE2 3.45Å; R1231-F1246 HydrophobicContact CB-CD2 3.87Å; R1231-F1246 HydrophobicContact CB-CE2 4Å; R1231-F1246 VanDerWaalsContact O-CD2 3.23Å; R1231-F1246 WeakPolarHBondContact O-CD2 3.17Å; R1231-F1246 PolarHBondContact O-N 2.95Å |
| 1232 | T | 83.7 | Confident | 74.3 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.2 | 172.4 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | G1230 Q1243 R1244 I1486 | G1230-T1232 VanDerWaalsContact C-N 3.32Å; G1230-T1232 PolarHBondContact O-N 3.48Å; G1230-T1232 VanDerWaalsContact O-N 3.16Å; T1232-Q1243 HydrophobicContact CG2-CG 4.02Å; T1232-Q1243 PolarHBondContact OG1-NE2 2.86Å; T1232-R1244 CarbonylContact C-O 3.46Å; T1232-R1244 VanDerWaalsContact C-O 3.28Å; T1232-R1244 WeakPolarHBondContact CA-O 3.39Å; T1232-R1244 WeakPolarHBondContact CB-O 3.38Å; T1232-I1486 VanDerWaalsContact O-CB 3.32Å; T1232-I1486 WeakPolarHBondContact O-CB 3.5Å; T1232-I1486 WeakPolarHBondContact O-CG1 3.22Å; T1232-I1486 PolarHBondContact O-N 3.16Å |
| 1233 | L | 90.7 | Very high | 75.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.8 | 151.9 | -66.6 | 166.2 | 0 | 0 | 0 | 109.6 | R1244 F1246 T1440 Y1448 M1470 I1483 I1484 | L1233-R1244 PolarHBondContact N-O 2.78Å; L1233-R1244 PolarHBondContact O-N 2.84Å; L1233-F1246 HydrophobicContact CD1-CD1 4.18Å; L1233-F1246 HydrophobicContact CD2-CD1 3.76Å; L1233-F1246 HydrophobicContact CD2-CE1 3.51Å; L1233-F1246 HydrophobicContact CG-CD1 3.56Å; L1233-F1246 HydrophobicContact CG-CE1 3.71Å; L1233-T1440 HydrophobicContact CD2-CG2 4.13Å; L1233-Y1448 HydrophobicContact CD1-CD1 3.75Å; L1233-Y1448 HydrophobicContact CD1-CE1 4.06Å; L1233-Y1448 HydrophobicContact CD1-CG 4.29Å; L1233-Y1448 HydrophobicContact CD2-CD1 4.21Å; L1233-Y1448 HydrophobicContact CD2-CD2 4.22Å; L1233-Y1448 HydrophobicContact CD2-CG 3.91Å; L1233-M1470 HydrophobicContact CD1-CE 3.89Å; L1233-I1483 HydrophobicContact CD1-CD1 4.37Å; L1233-I1483 HydrophobicContact CD2-CD1 4.11Å; L1233-I1483 HydrophobicContact CD2-CG1 4.11Å; L1233-I1484 CarbonylContact C-O 3.53Å; L1233-I1484 VanDerWaalsContact CA-O 3.24Å; L1233-I1484 WeakPolarHBondContact CA-O 3.37Å |
| 1234 | I | 92.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134 | 160.2 | -53.5 | -171.6 | 0 | 0 | 0 | 107.1 | V1242 Q1243 L1255 L1266 L1275 L1290 I1483 I1484 I1486 | I1234-V1242 CarbonylContact C-O 3.28Å; I1234-V1242 VanDerWaalsContact CA-O 3.29Å; I1234-V1242 WeakPolarHBondContact CA-O 3.07Å; I1234-V1242 WeakPolarHBondContact CG2-O 3.48Å; I1234-Q1243 HydrophobicContact CD1-CB 4.27Å; I1234-Q1243 HydrophobicContact CD1-CG 4.15Å; I1234-Q1243 HydrophobicContact CG1-CB 4.11Å; I1234-Q1243 HydrophobicContact CG1-CG 4.03Å; I1234-L1255 HydrophobicContact CD1-CD2 4.09Å; I1234-L1255 HydrophobicContact CG2-CD2 4.47Å; I1234-L1266 HydrophobicContact CB-CD2 4.32Å; I1234-L1266 HydrophobicContact CG2-CD2 3.97Å; I1234-L1266 WeakPolarHBondContact O-CD2 3.21Å; I1234-L1275 HydrophobicContact CD1-CD1 3.74Å; I1234-L1275 HydrophobicContact CD1-CD2 3.84Å; I1234-L1275 HydrophobicContact CD1-CG 4.4Å; I1234-L1275 HydrophobicContact CG2-CD1 4.33Å; I1234-L1290 HydrophobicContact CD1-CD1 3.64Å; I1234-I1483 CarbonylContact O-C 3.6Å; I1234-I1483 WeakPolarHBondContact O-CA 3.3Å; I1234-I1484 HydrophobicContact CB-CG1 4.13Å; I1234-I1484 PolarHBondContact N-O 3.31Å; I1234-I1484 WeakPolarHBondContact O-CG1 3.25Å; I1234-I1484 PolarHBondContact O-N 3.33Å; I1234-I1486 HydrophobicContact CD1-CD1 3.9Å; I1234-I1486 HydrophobicContact CD1-CG1 3.84Å; I1234-I1486 HydrophobicContact CG1-CD1 4.14Å; I1234-I1486 HydrophobicContact CG1-CG1 3.82Å |
| 1235 | F | 93.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.1 | -178.6 | 64.4 | -84.8 | 0 | 0 | 0 | 111.5 | H1237 V1242 R1244 I1457 P1472 L1480 G1482 I1483 | F1235-H1237 HydrophobicContact CD2-CB 4.32Å; F1235-H1237 HydrophobicContact CE2-CB 4.01Å; F1235-V1242 HydrophobicContact CD1-CB 4.22Å; F1235-V1242 HydrophobicContact CD1-CG1 4.31Å; F1235-V1242 HydrophobicContact CD2-CB 4.24Å; F1235-V1242 HydrophobicContact CE1-CB 3.8Å; F1235-V1242 HydrophobicContact CE1-CG1 3.48Å; F1235-V1242 VanDerWaalsContact CE1-CG1 3.48Å; F1235-V1242 HydrophobicContact CE2-CB 3.83Å; F1235-V1242 HydrophobicContact CE2-CG1 4.07Å; F1235-V1242 HydrophobicContact CE2-CG2 4.16Å; F1235-V1242 HydrophobicContact CG-CB 4.44Å; F1235-V1242 HydrophobicContact CZ-CB 3.61Å; F1235-V1242 HydrophobicContact CZ-CG1 3.34Å; F1235-V1242 HydrophobicContact CZ-CG2 4.25Å; F1235-V1242 PolarHBondContact N-O 3.48Å; F1235-V1242 PolarHBondContact O-N 3.16Å; F1235-R1244 HydrophobicContact CE1-CB 4.01Å; F1235-I1457 HydrophobicContact CD1-CD1 3.45Å; F1235-I1457 VanDerWaalsContact CD1-CD1 3.45Å; F1235-I1457 HydrophobicContact CD2-CD1 3.96Å; F1235-I1457 HydrophobicContact CE1-CD1 3.4Å; F1235-I1457 HydrophobicContact CE2-CD1 3.92Å; F1235-I1457 HydrophobicContact CG-CD1 3.73Å; F1235-I1457 HydrophobicContact CZ-CD1 3.63Å; F1235-P1472 HydrophobicContact CE2-CB 3.73Å; F1235-P1472 HydrophobicContact CZ-CB 3.82Å; F1235-L1480 HydrophobicContact CD2-CD2 3.68Å; F1235-L1480 HydrophobicContact CE2-CD2 3.54Å; F1235-G1482 CarbonylContact C-O 3.48Å; F1235-G1482 WeakPolarHBondContact CA-O 3.08Å; F1235-G1482 WeakPolarHBondContact CB-O 3.3Å; F1235-I1483 HydrophobicContact CB-CB 3.94Å; F1235-I1483 HydrophobicContact CB-CD1 4.27Å; F1235-I1483 HydrophobicContact CB-CG1 3.94Å |
| 1236 | S | 92.7 | Very high | 78.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.3 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | S1240 A1263 L1480 Y1481 G1482 | S1236-S1240 WeakPolarHBondContact CA-O 3.46Å; S1236-A1263 WeakPolarHBondContact CB-O 3.42Å; S1236-A1263 PolarHBondContact OG-O 2.96Å; S1236-L1480 WeakPolarHBondContact O-CA 3.44Å; S1236-Y1481 PolarHBondContact O-N 2.86Å; S1236-Y1481 WeakPolarHBondContact OG-CB 3.19Å; S1236-G1482 PolarHBondContact N-O 2.04Å; S1236-G1482 PolarHBondContact OG-N 2.04Å; S1236-G1482 VanDerWaalsContact OG-N 3.16Å |
| 1237 | H | 88.9 | Confident | 79.4 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.069 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 83.1 | 175.2 | -163.6 | -162.6 | 0 | 0 | 0 | 107.5 | F1235 M1239 S1240 V1242 G1476 G1478 L1480 | F1235-H1237 HydrophobicContact CD2-CB 4.32Å; F1235-H1237 HydrophobicContact CE2-CB 4.01Å; H1237-M1239 PolarHBondContact O-N 2.69Å; H1237-S1240 CarbonylContact C-O 3.39Å; H1237-S1240 PolarHBondContact N-O 3.41Å; H1237-S1240 PolarHBondContact O-N 3.25Å; H1237-S1240 VanDerWaalsContact O-N 3.11Å; H1237-S1240 PolarHBondContact O-OG 2.89Å; H1237-V1242 HydrophobicContact CB-CG2 4.06Å; H1237-G1476 PolarHBondContact CE1-O 2.93Å; H1237-G1476 WeakPolarHBondContact ND1-CA 3.48Å; H1237-G1476 PolarHBondContact ND1-O 3.17Å; H1237-G1478 WeakPolarHBondContact CD2-CA 3.47Å; H1237-G1478 PolarHBondContact CD2-N 2.91Å; H1237-G1478 PolarHBondContact NE2-N 2.76Å; H1237-G1478 PolarHBondContact NE2-O 2.86Å; H1237-L1480 HydrophobicContact CB-CD2 3.92Å; H1237-L1480 WeakPolarHBondContact CD2-CD2 3.35Å |
| 1238 | G | 80.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -117.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1240 K1479 | G1238-S1240 PolarHBondContact O-N 3.08Å; G1238-S1240 VanDerWaalsContact O-N 3.13Å; G1238-K1479 PolarHBondContact N-O 2.04Å |
| 1239 | M | 81.9 | Confident | 80.7 | Confident | 69 Ų | 69 | 25 Ų | 25 | 34% | 0.34 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.7 | 178.7 | -68.2 | -175.6 | -70.4 | 0 | 0 | 113.9 | H1237 V1258 Y1260 Q1261 | H1237-M1239 PolarHBondContact O-N 2.69Å; M1239-V1258 PolarHBondContact O-N 3.19Å; M1239-V1258 VanDerWaalsContact O-N 3.1Å; M1239-Y1260 PolarHBondContact SD-N 2.89Å; M1239-Y1260 VanDerWaalsContact SD-N 3.35Å; M1239-Q1261 WeakPolarHBondContact CA-O 3.26Å; M1239-Q1261 PolarHBondContact O-NE2 3.26Å |
| 1240 | S | 86.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.8 | -175.5 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | S1236 H1237 G1238 Q1254 V1256 G1476 | S1236-S1240 WeakPolarHBondContact CA-O 3.46Å; H1237-S1240 CarbonylContact C-O 3.39Å; H1237-S1240 PolarHBondContact N-O 3.41Å; H1237-S1240 PolarHBondContact O-N 3.25Å; H1237-S1240 VanDerWaalsContact O-N 3.11Å; H1237-S1240 PolarHBondContact O-OG 2.89Å; G1238-S1240 PolarHBondContact O-N 3.08Å; G1238-S1240 VanDerWaalsContact O-N 3.13Å; S1240-Q1254 PolarHBondContact OG-NE2 3.21Å; S1240-V1256 CarbonylContact C-O 3.58Å; S1240-V1256 VanDerWaalsContact CA-O 3.22Å; S1240-V1256 WeakPolarHBondContact CA-O 3.47Å; S1240-G1476 WeakPolarHBondContact OG-CA 3.33Å |
| 1241 | L | 89.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136 | 155.6 | -60.5 | -172.1 | 0 | 0 | 0 | 108.5 | L1255 V1256 A1263 L1266 W1277 | L1241-L1255 PolarHBondContact O-N 2.75Å; L1241-V1256 HydrophobicContact CB-CB 4.16Å; L1241-V1256 HydrophobicContact CD1-CB 4.35Å; L1241-V1256 HydrophobicContact CD1-CG2 4.45Å; L1241-V1256 HydrophobicContact CG-CB 4.29Å; L1241-V1256 PolarHBondContact N-O 2.85Å; L1241-V1256 PolarHBondContact O-N 3.12Å; L1241-A1263 HydrophobicContact CD2-CB 3.77Å; L1241-L1266 HydrophobicContact CD1-CD1 4.16Å; L1241-L1266 HydrophobicContact CD2-CD1 4.3Å; L1241-L1266 HydrophobicContact CD2-CD2 4.49Å; L1241-W1277 HydrophobicContact CD1-CD2 3.68Å; L1241-W1277 HydrophobicContact CD1-CE3 3.55Å; L1241-W1277 HydrophobicContact CD1-CG 4.23Å; L1241-W1277 HydrophobicContact CD1-CH2 4.15Å; L1241-W1277 HydrophobicContact CD1-CZ2 4.27Å; L1241-W1277 HydrophobicContact CD1-CZ3 3.78Å; L1241-W1277 HydrophobicContact CD2-CG 4.39Å; L1241-W1277 HydrophobicContact CG-CD2 4.44Å |
| 1242 | V | 87.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.9 | -177.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | I1234 F1235 H1237 K1253 A1473 | I1234-V1242 CarbonylContact C-O 3.28Å; I1234-V1242 VanDerWaalsContact CA-O 3.29Å; I1234-V1242 WeakPolarHBondContact CA-O 3.07Å; I1234-V1242 WeakPolarHBondContact CG2-O 3.48Å; F1235-V1242 HydrophobicContact CD1-CB 4.22Å; F1235-V1242 HydrophobicContact CD1-CG1 4.31Å; F1235-V1242 HydrophobicContact CD2-CB 4.24Å; F1235-V1242 HydrophobicContact CE1-CB 3.8Å; F1235-V1242 HydrophobicContact CE1-CG1 3.48Å; F1235-V1242 VanDerWaalsContact CE1-CG1 3.48Å; F1235-V1242 HydrophobicContact CE2-CB 3.83Å; F1235-V1242 HydrophobicContact CE2-CG1 4.07Å; F1235-V1242 HydrophobicContact CE2-CG2 4.16Å; F1235-V1242 HydrophobicContact CG-CB 4.44Å; F1235-V1242 HydrophobicContact CZ-CB 3.61Å; F1235-V1242 HydrophobicContact CZ-CG1 3.34Å; F1235-V1242 HydrophobicContact CZ-CG2 4.25Å; F1235-V1242 PolarHBondContact N-O 3.48Å; F1235-V1242 PolarHBondContact O-N 3.16Å; H1237-V1242 HydrophobicContact CB-CG2 4.06Å; V1242-K1253 CarbonylContact C-O 3.54Å; V1242-K1253 VanDerWaalsContact CA-O 3.24Å; V1242-K1253 WeakPolarHBondContact CA-O 3.48Å; V1242-K1253 WeakPolarHBondContact CG1-O 3.18Å; V1242-A1473 HydrophobicContact CG1-CB 3.39Å |
| 1243 | Q | 86.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 5% | 0.051 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.9 | 170.2 | 178.6 | 177.6 | 25.3 | 0 | 0 | 109.2 | T1232 I1234 G1252 K1253 L1255 | T1232-Q1243 HydrophobicContact CG2-CG 4.02Å; T1232-Q1243 PolarHBondContact OG1-NE2 2.86Å; I1234-Q1243 HydrophobicContact CD1-CB 4.27Å; I1234-Q1243 HydrophobicContact CD1-CG 4.15Å; I1234-Q1243 HydrophobicContact CG1-CB 4.11Å; I1234-Q1243 HydrophobicContact CG1-CG 4.03Å; Q1243-G1252 CarbonylContact O-C 3.37Å; Q1243-G1252 WeakPolarHBondContact O-CA 3.5Å; Q1243-K1253 HydrophobicContact CB-CG 4.16Å; Q1243-K1253 PolarHBondContact N-O 2.85Å; Q1243-K1253 PolarHBondContact O-N 2.91Å; Q1243-L1255 HydrophobicContact CB-CB 4.34Å; Q1243-L1255 HydrophobicContact CB-CD1 4.44Å; Q1243-L1255 HydrophobicContact CB-CD2 4.35Å |
| 1244 | R | 83.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.1 | -175.4 | -166.4 | -154.5 | -171.8 | 127.5 | 18.3 | 110.6 | T1232 L1233 F1235 P1248 D1250 M1471 | T1232-R1244 CarbonylContact C-O 3.46Å; T1232-R1244 VanDerWaalsContact C-O 3.28Å; T1232-R1244 WeakPolarHBondContact CA-O 3.39Å; T1232-R1244 WeakPolarHBondContact CB-O 3.38Å; L1233-R1244 PolarHBondContact N-O 2.78Å; L1233-R1244 PolarHBondContact O-N 2.84Å; F1235-R1244 HydrophobicContact CE1-CB 4.01Å; R1244-P1248 PolarHBondContact NH2-O 2.83Å; R1244-D1250 WeakPolarHBondContact CD-O 3.12Å; R1244-D1250 WeakPolarHBondContact CG-O 3.23Å; R1244-D1250 PolarHBondContact NE-O 2.84Å; R1244-M1471 PolarHBondContact NH1-O 3.39Å; R1244-M1471 PolarHBondContact NH2-O 3.08Å |
| 1245 | G | 79.8 | Confident | 79.1 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 175.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1247 D1250 | G1245-Q1247 VanDerWaalsContact C-N 3.33Å; G1245-D1250 WeakPolarHBondContact CA-OD2 3.39Å; G1245-D1250 PolarHBondContact N-OD1 2.7Å; G1245-D1250 PolarHBondContact N-OD2 2.85Å |
| 1246 | F | 82.3 | Confident | 78.7 | Confident | 13 Ų | 13 | 22 Ų | 22 | 6% | 0.057 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -80.3 | -5.9 | 175.3 | -76.6 | -52.9 | 0 | 0 | 0 | 115.4 | R1231 L1233 H1442 Y1448 A1485 | R1231-F1246 VanDerWaalsContact CA-CE2 3.45Å; R1231-F1246 HydrophobicContact CB-CD2 3.87Å; R1231-F1246 HydrophobicContact CB-CE2 4Å; R1231-F1246 VanDerWaalsContact O-CD2 3.23Å; R1231-F1246 WeakPolarHBondContact O-CD2 3.17Å; R1231-F1246 PolarHBondContact O-N 2.95Å; L1233-F1246 HydrophobicContact CD1-CD1 4.18Å; L1233-F1246 HydrophobicContact CD2-CD1 3.76Å; L1233-F1246 HydrophobicContact CD2-CE1 3.51Å; L1233-F1246 HydrophobicContact CG-CD1 3.56Å; L1233-F1246 HydrophobicContact CG-CE1 3.71Å; F1246-H1442 HydrophobicContact CD1-CB 4.46Å; F1246-H1442 HydrophobicContact CE1-CB 3.84Å; F1246-H1442 AromaticContact CE1-CG 3.99Å; F1246-H1442 HydrophobicContact CE2-CB 4.26Å; F1246-H1442 AromaticContact CE2-CD2 3.17Å; F1246-H1442 WeakPolarHBondContact CE2-CD2 3.18Å; F1246-H1442 AromaticContact CE2-CE1 3.68Å; F1246-H1442 AromaticContact CE2-CG 3.49Å; F1246-H1442 VanDerWaalsContact CE2-CG 3.49Å; F1246-H1442 AromaticContact CE2-ND1 3.79Å; F1246-H1442 AromaticContact CE2-NE2 3.3Å; F1246-H1442 VanDerWaalsContact CE2-NE2 3.3Å; F1246-H1442 WeakPolarHBondContact CE2-NE2 3.36Å; F1246-H1442 HydrophobicContact CZ-CB 3.77Å; F1246-H1442 AromaticContact CZ-CD2 3.21Å; F1246-H1442 WeakPolarHBondContact CZ-CD2 3.22Å; F1246-H1442 AromaticContact CZ-CG 3.45Å; F1246-H1442 VanDerWaalsContact CZ-CG 3.45Å; F1246-H1442 AromaticContact CZ-NE2 3.88Å; F1246-Y1448 HydrophobicContact CD1-CD2 4.37Å; F1246-Y1448 HydrophobicContact CD1-CE1 4.24Å; F1246-Y1448 AromaticContact CD1-CE2 3.73Å; F1246-Y1448 HydrophobicContact CD1-CE2 3.73Å; F1246-Y1448 AromaticContact CD1-CZ 3.66Å; F1246-Y1448 HydrophobicContact CE1-CD2 4.5Å; F1246-Y1448 HydrophobicContact CE1-CE2 4.13Å; F1246-Y1448 PolarHBondContact O-OH 2.81Å; F1246-A1485 HydrophobicContact CE1-CB 3.66Å; F1246-A1485 HydrophobicContact CZ-CB 3.67Å |
| 1247 | Q | 72.1 | Confident | 78.3 | Confident | 84 Ų | 84 | 25.8 Ų | 25.8 | 39% | 0.393 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -100.6 | 143.4 | 180 | -63.2 | -61.2 | -63.2 | 0 | 0 | 109.6 | H1020 G1245 E1249 D1250 | H1020-Q1247 HydrophobicContact CB-CB 4.32Å; G1245-Q1247 VanDerWaalsContact C-N 3.33Å; Q1247-E1249 PolarHBondContact O-N 3.24Å; Q1247-E1249 VanDerWaalsContact O-N 3.09Å; Q1247-D1250 PolarHBondContact O-N 2.95Å |
| 1248 | P | 69.5 | Low | 77.8 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -37.9 | 172.5 | -20.8 | 16.8 | 0 | 0 | 0 | 113.6 | R1244 Q1468 M1470 | R1244-P1248 PolarHBondContact NH2-O 2.83Å; P1248-Q1468 HydrophobicContact CG-CB 4.48Å; P1248-M1470 HydrophobicContact CB-CB 4.3Å; P1248-M1470 HydrophobicContact CB-CG 3.76Å; P1248-M1470 HydrophobicContact CB-SD 4.26Å; P1248-M1470 HydrophobicContact CG-CG 3.74Å; P1248-M1470 HydrophobicContact CG-SD 4.01Å |
| 1249 | E | 62 | Low | 77.3 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.8 | -180 | -89.1 | -164.5 | -152.8 | 0 | 0 | 116 | H1020 C1021 I1022 E1033 Q1247 Y1251 | H1020-E1249 VanDerWaalsContact C-CD 3.45Å; H1020-E1249 HydrophobicContact CB-CB 3.9Å; H1020-E1249 HydrophobicContact CB-CG 3.89Å; H1020-E1249 VanDerWaalsContact CE1-CG 3.44Å; H1020-E1249 WeakPolarHBondContact CE1-CG 3.08Å; H1020-E1249 IonicContact CE1-OE1 3.9Å; H1020-E1249 PolarHBondContact CE1-OE1 3.11Å; H1020-E1249 VanDerWaalsContact CE1-OE1 3.26Å; H1020-E1249 VanDerWaalsContact CG-CD 3.48Å; H1020-E1249 VanDerWaalsContact CG-CG 3.44Å; H1020-E1249 IonicContact CG-OE1 3.82Å; H1020-E1249 PolarHBondContact N-OE1 3.26Å; H1020-E1249 VanDerWaalsContact ND1-CG 3.28Å; H1020-E1249 WeakPolarHBondContact ND1-CG 3.47Å; H1020-E1249 IonicContact ND1-OE1 2.7Å; H1020-E1249 PolarHBondContact ND1-OE1 3Å; C1021-E1249 VanDerWaalsContact C-OE2 3.23Å; C1021-E1249 WeakPolarHBondContact CA-OE2 3.21Å; C1021-E1249 PolarHBondContact N-OE2 2.66Å; I1022-E1249 WeakPolarHBondContact CA-O 3.5Å; I1022-E1249 HydrophobicContact CB-CB 4.08Å; I1022-E1249 HydrophobicContact CB-CG 4.31Å; I1022-E1249 WeakPolarHBondContact CB-O 3.35Å; I1022-E1249 HydrophobicContact CG2-CB 3.32Å; I1022-E1249 VanDerWaalsContact CG2-CD 3.43Å; I1022-E1249 HydrophobicContact CG2-CG 3.16Å; I1022-E1249 VanDerWaalsContact CG2-O 3.28Å; I1022-E1249 WeakPolarHBondContact CG2-O 3.29Å; I1022-E1249 VanDerWaalsContact CG2-OE2 3.32Å; I1022-E1249 WeakPolarHBondContact CG2-OE2 3Å; I1022-E1249 PolarHBondContact N-OE2 3.1Å; E1033-E1249 WeakPolarHBondContact CA-OE1 3.37Å; E1033-E1249 WeakPolarHBondContact CB-OE1 3.43Å; E1033-E1249 WeakPolarHBondContact CG-OE1 3.42Å; E1033-E1249 PolarHBondContact N-OE1 2.68Å; E1033-E1249 PolarHBondContact N-OE2 2.86Å; Q1247-E1249 PolarHBondContact O-N 3.24Å; Q1247-E1249 VanDerWaalsContact O-N 3.09Å; E1249-Y1251 WeakPolarHBondContact O-CD2 3.03Å; E1249-Y1251 PolarHBondContact O-N 3.4Å |
| 1250 | D | 67.2 | Low | 76.7 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | trans | -72.8 | 101.7 | 174.9 | -168.5 | -51.8 | 0 | 0 | 0 | 107 | R1244 G1245 Q1247 G1252 | R1244-D1250 WeakPolarHBondContact CD-O 3.12Å; R1244-D1250 WeakPolarHBondContact CG-O 3.23Å; R1244-D1250 PolarHBondContact NE-O 2.84Å; G1245-D1250 WeakPolarHBondContact CA-OD2 3.39Å; G1245-D1250 PolarHBondContact N-OD1 2.7Å; G1245-D1250 PolarHBondContact N-OD2 2.85Å; Q1247-D1250 PolarHBondContact O-N 2.95Å; D1250-G1252 VanDerWaalsContact C-N 3.25Å; D1250-G1252 PolarHBondContact O-N 2.92Å; D1250-G1252 PolarHBondContact OD1-N 3.49Å | ||
| 1251 | Y | 64.5 | Low | 76.6 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 28% | 0.282 | 17% | 0.17 | S | C | . | . | trans | -70.5 | -22.5 | -176.1 | -84.6 | -88.9 | 0 | 0 | 0 | 112.7 | I1022 E1025 E1249 A1473 | I1022-Y1251 HydrophobicContact CB-CD2 4.47Å; I1022-Y1251 HydrophobicContact CG2-CD2 4.25Å; I1022-Y1251 HydrophobicContact CG2-CE2 3.94Å; E1025-Y1251 HydrophobicContact CG-CG 4.43Å; E1249-Y1251 WeakPolarHBondContact O-CD2 3.03Å; E1249-Y1251 PolarHBondContact O-N 3.4Å; Y1251-A1473 WeakPolarHBondContact O-CB 3.29Å | ||
| 1252 | G | 71.4 | Confident | 76.6 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | trans | 74.8 | -153.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1243 D1250 | Q1243-G1252 CarbonylContact O-C 3.37Å; Q1243-G1252 WeakPolarHBondContact O-CA 3.5Å; D1250-G1252 VanDerWaalsContact C-N 3.25Å; D1250-G1252 PolarHBondContact O-N 2.92Å; D1250-G1252 PolarHBondContact OD1-N 3.49Å | ||
| 1253 | K | 67 | Low | 76.8 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 154.6 | -175.8 | 65.5 | 172.7 | 179.1 | 159.5 | 0 | 112.9 | H1216 D1225 V1242 Q1243 L1255 | H1216-K1253 HydrophobicContact CB-CB 3.68Å; H1216-K1253 HydrophobicContact CB-CD 3.64Å; H1216-K1253 HydrophobicContact CB-CG 4.19Å; D1225-K1253 VanDerWaalsContact CG-NZ 3.27Å; D1225-K1253 WeakPolarHBondContact OD1-CD 3.42Å; D1225-K1253 WeakPolarHBondContact OD1-CE 2.98Å; D1225-K1253 IonicContact OD1-NZ 3.25Å; D1225-K1253 PolarHBondContact OD1-NZ 2.75Å; D1225-K1253 IonicContact OD2-NZ 3.57Å; V1242-K1253 CarbonylContact C-O 3.54Å; V1242-K1253 VanDerWaalsContact CA-O 3.24Å; V1242-K1253 WeakPolarHBondContact CA-O 3.48Å; V1242-K1253 WeakPolarHBondContact CG1-O 3.18Å; Q1243-K1253 HydrophobicContact CB-CG 4.16Å; Q1243-K1253 PolarHBondContact N-O 2.85Å; Q1243-K1253 PolarHBondContact O-N 2.91Å; K1253-L1255 PolarHBondContact O-N 2.84Å |
| 1254 | Q | 75.3 | Confident | 77.1 | Confident | 76 Ų | 76 | 33.5 Ų | 33.5 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 121.7 | 158.7 | -61.6 | -166.7 | -67.3 | 0 | 0 | 109.3 | S1240 V1257 G1475 | S1240-Q1254 PolarHBondContact OG-NE2 3.21Å; Q1254-V1257 HydrophobicContact CB-CG2 3.98Å; Q1254-V1257 HydrophobicContact CG-CG2 4.42Å; Q1254-G1475 VanDerWaalsContact CD-C 3.47Å; Q1254-G1475 PolarHBondContact NE2-O 3.48Å |
| 1255 | L | 80.1 | Confident | 77.5 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -44.4 | -178.5 | -172.3 | 70 | 0 | 0 | 0 | 111.3 | I1234 L1241 Q1243 K1253 L1275 D1291 G1292 | I1234-L1255 HydrophobicContact CD1-CD2 4.09Å; I1234-L1255 HydrophobicContact CG2-CD2 4.47Å; L1241-L1255 PolarHBondContact O-N 2.75Å; Q1243-L1255 HydrophobicContact CB-CB 4.34Å; Q1243-L1255 HydrophobicContact CB-CD1 4.44Å; Q1243-L1255 HydrophobicContact CB-CD2 4.35Å; K1253-L1255 PolarHBondContact O-N 2.84Å; L1255-L1275 HydrophobicContact CD2-CD1 3.26Å; L1255-D1291 VanDerWaalsContact CD1-C 3.4Å; L1255-G1292 WeakPolarHBondContact O-CA 3.17Å |
| 1256 | V | 84 | Confident | 78.3 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.5 | 177.4 | 174 | 0 | 0 | 0 | 0 | 107.7 | S1240 L1241 V1258 W1277 V1295 | S1240-V1256 CarbonylContact C-O 3.58Å; S1240-V1256 VanDerWaalsContact CA-O 3.22Å; S1240-V1256 WeakPolarHBondContact CA-O 3.47Å; L1241-V1256 HydrophobicContact CB-CB 4.16Å; L1241-V1256 HydrophobicContact CD1-CB 4.35Å; L1241-V1256 HydrophobicContact CD1-CG2 4.45Å; L1241-V1256 HydrophobicContact CG-CB 4.29Å; L1241-V1256 PolarHBondContact N-O 2.85Å; L1241-V1256 PolarHBondContact O-N 3.12Å; V1256-V1258 HydrophobicContact CG1-CG2 3.89Å; V1256-W1277 HydrophobicContact CB-CH2 4.49Å; V1256-W1277 HydrophobicContact CG1-CH2 3.98Å; V1256-W1277 HydrophobicContact CG1-CZ2 3.88Å; V1256-W1277 HydrophobicContact CG2-CH2 4.2Å; V1256-V1295 HydrophobicContact CB-CG2 4.48Å; V1256-V1295 HydrophobicContact CG1-CG1 4.35Å; V1256-V1295 HydrophobicContact CG1-CG2 3.72Å; V1256-V1295 HydrophobicContact CG2-CG2 3.95Å |
| 1257 | V | 84.1 | Confident | 78.9 | Confident | 78 Ų | 78 | 35.3 Ų | 35.3 | 47% | 0.473 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.3 | 170 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | Q1254 | Q1254-V1257 HydrophobicContact CB-CG2 3.98Å; Q1254-V1257 HydrophobicContact CG-CG2 4.42Å |
| 1258 | V | 78.5 | Confident | 79.9 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 17% | 0.17 | 17% | 0.165 | C | C | . | . | trans | -122.3 | 116 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | M1239 V1256 Y1260 Q1261 V1295 | M1239-V1258 PolarHBondContact O-N 3.19Å; M1239-V1258 VanDerWaalsContact O-N 3.1Å; V1256-V1258 HydrophobicContact CG1-CG2 3.89Å; V1258-Y1260 PolarHBondContact O-N 2.87Å; V1258-Q1261 HydrophobicContact CB-CB 4.07Å; V1258-Q1261 HydrophobicContact CB-CG 3.94Å; V1258-Q1261 HydrophobicContact CG1-CB 4.35Å; V1258-Q1261 WeakPolarHBondContact O-CG 3.39Å; V1258-Q1261 PolarHBondContact O-N 2.8Å; V1258-V1295 HydrophobicContact CG2-CG1 4.11Å | ||
| 1259 | P | 69.6 | Low | 81 | Confident | 87 Ų | 87 | 30.8 Ų | 30.8 | 57% | 0.565 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.1 | 176.8 | -26.8 | 35.5 | 0 | 0 | 0 | 111.5 | Q1261 | P1259-Q1261 PolarHBondContact O-N 3.18Š|
| 1260 | Y | 70.4 | Confident | 82.3 | Confident | 134 Ų | 134 | 31 Ų | 31 | 53% | 0.525 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 5.2 | -179.9 | -41.3 | -79.4 | 0 | 0 | 0 | 116.6 | M1239 V1258 S1281 | M1239-Y1260 PolarHBondContact SD-N 2.89Å; M1239-Y1260 VanDerWaalsContact SD-N 3.35Å; V1258-Y1260 PolarHBondContact O-N 2.87Å; Y1260-S1281 VanDerWaalsContact O-CB 3.25Å; Y1260-S1281 WeakPolarHBondContact O-CB 3.44Å |
| 1261 | Q | 84.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -74.3 | 148.6 | 168.7 | 84.7 | 176.4 | -21.4 | 0 | 0 | 111 | M1239 V1258 P1259 D1279 | M1239-Q1261 WeakPolarHBondContact CA-O 3.26Å; M1239-Q1261 PolarHBondContact O-NE2 3.26Å; V1258-Q1261 HydrophobicContact CB-CB 4.07Å; V1258-Q1261 HydrophobicContact CB-CG 3.94Å; V1258-Q1261 HydrophobicContact CG1-CB 4.35Å; V1258-Q1261 WeakPolarHBondContact O-CG 3.39Å; V1258-Q1261 PolarHBondContact O-N 2.8Å; P1259-Q1261 PolarHBondContact O-N 3.18Å; Q1261-D1279 VanDerWaalsContact CA-OD1 3.27Å; Q1261-D1279 WeakPolarHBondContact CA-OD1 3.37Å; Q1261-D1279 HydrophobicContact CB-CB 4.45Å; Q1261-D1279 WeakPolarHBondContact CB-OD1 3.2Å; Q1261-D1279 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 1262 | V | 88.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | trans | -122.1 | 96.8 | 159.4 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | A986 V1264 D1279 V1280 S1281 Y1481 | A986-V1262 HydrophobicContact CB-CG2 4.33Å; V1262-V1264 HydrophobicContact CG1-CG2 3.93Å; V1262-V1264 PolarHBondContact O-N 3.1Å; V1262-D1279 PolarHBondContact N-OD1 3.11Å; V1262-D1279 WeakPolarHBondContact O-CA 3.17Å; V1262-V1280 PolarHBondContact O-N 2.84Å; V1262-V1280 VanDerWaalsContact O-N 3.12Å; V1262-S1281 VanDerWaalsContact CB-OG 3.27Å; V1262-S1281 WeakPolarHBondContact CB-OG 3.17Å; V1262-S1281 WeakPolarHBondContact CG2-OG 3.11Å; V1262-Y1481 HydrophobicContact CG1-CE1 4.23Å; V1262-Y1481 HydrophobicContact CG1-CE2 3.92Å | ||
| 1263 | A | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 109 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1236 L1241 W1277 S1278 | S1236-A1263 WeakPolarHBondContact CB-O 3.42Å; S1236-A1263 PolarHBondContact OG-O 2.96Å; L1241-A1263 HydrophobicContact CD2-CB 3.77Å; A1263-W1277 HydrophobicContact CB-CG 4.35Å; A1263-S1278 CarbonylContact C-O 3.48Å; A1263-S1278 VanDerWaalsContact CA-O 3.27Å; A1263-S1278 WeakPolarHBondContact CA-O 3.12Å |
| 1264 | V | 93.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -70.5 | -174.3 | -179 | 0 | 0 | 0 | 0 | 111.4 | V1262 S1278 V1280 E1307 F1437 Y1481 G1482 | V1262-V1264 HydrophobicContact CG1-CG2 3.93Å; V1262-V1264 PolarHBondContact O-N 3.1Å; V1264-S1278 PolarHBondContact N-O 3.47Å; V1264-V1280 HydrophobicContact CB-CG2 4.1Å; V1264-V1280 HydrophobicContact CG2-CB 4.27Å; V1264-V1280 HydrophobicContact CG2-CG2 3.59Å; V1264-E1307 HydrophobicContact CG1-CB 4.49Å; V1264-E1307 WeakPolarHBondContact CG1-O 3.44Å; V1264-F1437 HydrophobicContact CG1-CE1 3.73Å; V1264-F1437 HydrophobicContact CG1-CZ 3.66Å; V1264-Y1481 HydrophobicContact CB-CD1 4.45Å; V1264-Y1481 HydrophobicContact CG1-CD1 4.13Å; V1264-Y1481 HydrophobicContact CG2-CD1 4.04Å; V1264-Y1481 HydrophobicContact CG2-CE1 4.27Å; V1264-G1482 VanDerWaalsContact O-CA 3.23Å; V1264-G1482 WeakPolarHBondContact O-CA 3.05Å; V1264-G1482 PolarHBondContact O-N 2.87Å |
| 1265 | G | 93.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1277 S1278 E1307 | G1265-W1277 CarbonylContact O-C 3.52Å; G1265-W1277 WeakPolarHBondContact O-CA 3.09Å; G1265-W1277 WeakPolarHBondContact O-CB 3.4Å; G1265-S1278 WeakPolarHBondContact CA-OG 3.43Å; G1265-S1278 PolarHBondContact N-OG 3.32Å; G1265-S1278 PolarHBondContact O-N 2.04Å; G1265-E1307 WeakPolarHBondContact CA-O 3.3Å; G1265-E1307 PolarHBondContact N-O 3.4Å |
| 1266 | L | 95 | Very high | 87.9 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 129.6 | -176.5 | 174 | 65.2 | 0 | 0 | 0 | 108.6 | I1234 L1241 Y1276 W1277 I1484 | I1234-L1266 HydrophobicContact CB-CD2 4.32Å; I1234-L1266 HydrophobicContact CG2-CD2 3.97Å; I1234-L1266 WeakPolarHBondContact O-CD2 3.21Å; L1241-L1266 HydrophobicContact CD1-CD1 4.16Å; L1241-L1266 HydrophobicContact CD2-CD1 4.3Å; L1241-L1266 HydrophobicContact CD2-CD2 4.49Å; L1266-Y1276 WeakPolarHBondContact CA-O 3.16Å; L1266-W1277 HydrophobicContact CD1-CB 4.01Å; L1266-I1484 HydrophobicContact CD1-CD1 4.45Å; L1266-I1484 HydrophobicContact CD2-CD1 4.35Å; L1266-I1484 HydrophobicContact CD2-CG1 4.05Å; L1266-I1484 HydrophobicContact CG-CD1 3.94Å; L1266-I1484 HydrophobicContact CG-CG1 4.08Å; L1266-I1484 WeakPolarHBondContact O-CG2 3.07Å |
| 1267 | D | 95.7 | Very high | 88.5 | Confident | 40 Ų | 40 | 33 Ų | 33 | 21% | 0.214 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 167.8 | 169.1 | -157.8 | 7 | 0 | 0 | 0 | 112.3 | Y1276 C1310 V1311 | D1267-Y1276 PolarHBondContact N-O 2.82Å; D1267-Y1276 PolarHBondContact O-N 2.84Å; D1267-C1310 WeakPolarHBondContact OD2-CA 3.38Å; D1267-V1311 HydrophobicContact CB-CB 4.5Å; D1267-V1311 HydrophobicContact CB-CG2 4.14Å; D1267-V1311 PolarHBondContact OD2-N 2.98Å |
| 1268 | F | 93.4 | Very high | 89 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.044 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.7 | -171 | 172.1 | -114.4 | 0 | 0 | 0 | 112.9 | C1270 K1274 L1275 L1290 I1484 I1486 | F1268-C1270 HydrophobicContact CD1-CB 4.21Å; F1268-C1270 HydrophobicContact CE1-CB 3.98Å; F1268-C1270 PolarHBondContact O-N 3.26Å; F1268-K1274 WeakPolarHBondContact CD2-O 3.29Å; F1268-L1275 HydrophobicContact CB-CD2 4.11Å; F1268-L1275 HydrophobicContact CD2-CD2 3.82Å; F1268-L1275 HydrophobicContact CG-CD2 4.41Å; F1268-L1290 HydrophobicContact CD2-CD1 4.26Å; F1268-L1290 HydrophobicContact CE2-CB 4.38Å; F1268-L1290 HydrophobicContact CE2-CD1 3.9Å; F1268-L1290 HydrophobicContact CE2-CD2 3.99Å; F1268-L1290 HydrophobicContact CE2-CG 4.32Å; F1268-L1290 HydrophobicContact CZ-CD2 4.14Å; F1268-I1484 HydrophobicContact CB-CD1 3.69Å; F1268-I1486 HydrophobicContact CB-CD1 3.68Å; F1268-I1486 HydrophobicContact CD1-CD1 3.93Å; F1268-I1486 HydrophobicContact CD1-CG2 4.24Å; F1268-I1486 HydrophobicContact CD2-CD1 3.9Å; F1268-I1486 HydrophobicContact CE1-CG2 3.9Å; F1268-I1486 HydrophobicContact CE2-CD1 4.49Å; F1268-I1486 HydrophobicContact CG-CD1 3.58Å; F1268-I1486 HydrophobicContact CZ-CG2 4.16Å |
| 1269 | D | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 96.8 | 168.9 | -174.9 | -10.5 | 0 | 0 | 0 | 110.6 | N1271 E1272 D1273 K1274 Y1276 V1311 R1316 | D1269-N1271 PolarHBondContact O-N 3.08Å; D1269-N1271 VanDerWaalsContact O-N 3.15Å; D1269-N1271 WeakPolarHBondContact OD1-CA 3.04Å; D1269-N1271 PolarHBondContact OD1-N 3.37Å; D1269-E1272 PolarHBondContact O-N 2.83Å; D1269-E1272 PolarHBondContact OD1-N 2.97Å; D1269-E1272 VanDerWaalsContact OD1-N 3.14Å; D1269-D1273 PolarHBondContact O-N 2.82Å; D1269-K1274 HydrophobicContact CB-CB 4.25Å; D1269-K1274 PolarHBondContact N-O 3.5Å; D1269-K1274 PolarHBondContact O-N 2.03Å; D1269-Y1276 HydrophobicContact CB-CD2 3.99Å; D1269-Y1276 HydrophobicContact CB-CE2 3.58Å; D1269-V1311 HydrophobicContact CB-CG1 4.05Å; D1269-R1316 IonicContact OD1-CZ 3.3Å; D1269-R1316 IonicContact OD1-NH1 2.88Å; D1269-R1316 PolarHBondContact OD1-NH1 2.98Å; D1269-R1316 IonicContact OD2-CZ 3.64Å; D1269-R1316 IonicContact OD2-NH1 2.73Å; D1269-R1316 PolarHBondContact OD2-NH1 3.33Å; D1269-R1316 IonicContact OD2-NH2 2.68Å; D1269-R1316 PolarHBondContact OD2-NH2 3.11Å |
| 1270 | C | 88.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.2 | 178.3 | -147.4 | 0 | 0 | 0 | 0 | 112.9 | R1229 F1268 S1313 P1487 C1490 | R1229-C1270 PolarHBondContact NH1-O 2.88Å; R1229-C1270 PolarHBondContact NH2-O 2.87Å; R1229-C1270 VanDerWaalsContact NH2-O 3.1Å; F1268-C1270 HydrophobicContact CD1-CB 4.21Å; F1268-C1270 HydrophobicContact CE1-CB 3.98Å; F1268-C1270 PolarHBondContact O-N 3.26Å; C1270-S1313 PolarHBondContact N-OG 3.41Å; C1270-P1487 VanDerWaalsContact SG-CG 3.56Å; C1270-C1490 HydrophobicContact CB-CB 3.91Å; C1270-C1490 WeakPolarHBondContact CB-SG 3.05Å; C1270-C1490 PolarHBondContact O-SG 3.4Å; C1270-C1490 WeakPolarHBondContact SG-CA 2.98Å; C1270-C1490 WeakPolarHBondContact SG-CB 3.42Å; C1270-C1490 CovalentContact SG-SG 2.03Å; C1270-C1490 PolarHBondContact SG-SG 2.88Å |
| 1271 | N | 86 | Confident | 91.5 | Very high | 75 Ų | 75 | 19 Ų | 19 | 40% | 0.401 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -36.7 | 177 | -82.2 | -22 | 0 | 0 | 0 | 112.9 | D1269 S1313 | D1269-N1271 PolarHBondContact O-N 3.08Å; D1269-N1271 VanDerWaalsContact O-N 3.15Å; D1269-N1271 WeakPolarHBondContact OD1-CA 3.04Å; D1269-N1271 PolarHBondContact OD1-N 3.37Å; N1271-S1313 PolarHBondContact ND2-O 2.93Å |
| 1272 | E | 87.8 | Confident | 91.4 | Very high | 87 Ų | 87 | 20.4 Ų | 20.4 | 41% | 0.407 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -0.1 | 179.7 | -74.3 | -171.1 | -145 | 0 | 0 | 116.2 | D1269 K1274 R1316 | D1269-E1272 PolarHBondContact O-N 2.83Å; D1269-E1272 PolarHBondContact OD1-N 2.97Å; D1269-E1272 VanDerWaalsContact OD1-N 3.14Å; E1272-K1274 VanDerWaalsContact C-N 3.33Å; E1272-K1274 HydrophobicContact CB-CD 4.04Å; E1272-K1274 HydrophobicContact CB-CG 4.26Å; E1272-K1274 WeakPolarHBondContact OE2-CE 3.49Å; E1272-K1274 IonicContact OE2-NZ 3.07Å; E1272-K1274 PolarHBondContact OE2-NZ 2.68Å; E1272-R1316 IonicContact OE1-CZ 3.77Å; E1272-R1316 IonicContact OE1-NE 3.84Å; E1272-R1316 IonicContact OE1-NH2 3.49Å; E1272-R1316 PolarHBondContact OE1-NH2 2.95Å |
| 1273 | D | 88.4 | Confident | 91.5 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 26% | 0.262 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 43.1 | -172.4 | -75.6 | -61.5 | 0 | 0 | 0 | 112.8 | R1229 D1269 L1290 | R1229-D1273 WeakPolarHBondContact CD-OD1 3.48Å; R1229-D1273 WeakPolarHBondContact CG-OD1 3.34Å; R1229-D1273 IonicContact CZ-OD1 2.82Å; R1229-D1273 IonicContact CZ-OD2 3.52Å; R1229-D1273 VanDerWaalsContact CZ-OD2 3.23Å; R1229-D1273 IonicContact NE-OD1 2.69Å; R1229-D1273 PolarHBondContact NE-OD1 2.81Å; R1229-D1273 IonicContact NE-OD2 2.74Å; R1229-D1273 PolarHBondContact NE-OD2 3.05Å; R1229-D1273 VanDerWaalsContact NH2-CG 3.29Å; R1229-D1273 IonicContact NH2-OD1 3.23Å; R1229-D1273 IonicContact NH2-OD2 3.56Å; R1229-D1273 PolarHBondContact NH2-OD2 3.45Å; D1269-D1273 PolarHBondContact O-N 2.82Å; D1273-L1290 HydrophobicContact CB-CB 4.33Å; D1273-L1290 WeakPolarHBondContact O-CB 3.27Å; D1273-L1290 PolarHBondContact O-N 3.17Å |
| 1274 | K | 91.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 24.1 Ų | 24.1 | 24% | 0.235 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.5 | -178.4 | -76 | 174.8 | -177.4 | 167.2 | 0 | 112.3 | F1268 D1269 E1272 Y1276 S1288 | F1268-K1274 WeakPolarHBondContact CD2-O 3.29Å; D1269-K1274 HydrophobicContact CB-CB 4.25Å; D1269-K1274 PolarHBondContact N-O 3.5Å; D1269-K1274 PolarHBondContact O-N 2.03Å; E1272-K1274 VanDerWaalsContact C-N 3.33Å; E1272-K1274 HydrophobicContact CB-CD 4.04Å; E1272-K1274 HydrophobicContact CB-CG 4.26Å; E1272-K1274 WeakPolarHBondContact OE2-CE 3.49Å; E1272-K1274 IonicContact OE2-NZ 3.07Å; E1272-K1274 PolarHBondContact OE2-NZ 2.68Å; K1274-Y1276 HydrophobicContact CB-CD2 4.25Å; K1274-Y1276 HydrophobicContact CB-CE2 3.58Å; K1274-S1288 CarbonylContact C-O 3.49Å; K1274-S1288 VanDerWaalsContact CA-O 3.28Å; K1274-S1288 WeakPolarHBondContact CA-O 3.46Å |
| 1275 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.8 | 170.6 | -62.4 | 167.6 | 0 | 0 | 0 | 108.5 | I1234 L1255 F1268 S1287 S1288 L1290 I1484 I1486 | I1234-L1275 HydrophobicContact CD1-CD1 3.74Å; I1234-L1275 HydrophobicContact CD1-CD2 3.84Å; I1234-L1275 HydrophobicContact CD1-CG 4.4Å; I1234-L1275 HydrophobicContact CG2-CD1 4.33Å; L1255-L1275 HydrophobicContact CD2-CD1 3.26Å; F1268-L1275 HydrophobicContact CB-CD2 4.11Å; F1268-L1275 HydrophobicContact CD2-CD2 3.82Å; F1268-L1275 HydrophobicContact CG-CD2 4.41Å; L1275-S1287 CarbonylContact O-C 3.57Å; L1275-S1287 WeakPolarHBondContact O-CA 3.49Å; L1275-S1287 WeakPolarHBondContact O-CB 3.29Å; L1275-S1288 PolarHBondContact N-O 2.95Å; L1275-S1288 PolarHBondContact O-N 3.5Å; L1275-L1290 HydrophobicContact CD1-CD1 4.33Å; L1275-L1290 HydrophobicContact CD2-CD1 4.22Å; L1275-L1290 HydrophobicContact CG-CD1 4.31Å; L1275-I1484 HydrophobicContact CD2-CD1 4.03Å; L1275-I1486 HydrophobicContact CD2-CD1 4.13Å |
| 1276 | Y | 96.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.8 | 177.9 | -73.6 | -95.7 | 0 | 0 | 0 | 107.8 | L1266 D1267 D1269 K1274 R1286 L1298 V1311 L1318 L1333 | L1266-Y1276 WeakPolarHBondContact CA-O 3.16Å; D1267-Y1276 PolarHBondContact N-O 2.82Å; D1267-Y1276 PolarHBondContact O-N 2.84Å; D1269-Y1276 HydrophobicContact CB-CD2 3.99Å; D1269-Y1276 HydrophobicContact CB-CE2 3.58Å; K1274-Y1276 HydrophobicContact CB-CD2 4.25Å; K1274-Y1276 HydrophobicContact CB-CE2 3.58Å; Y1276-R1286 WeakPolarHBondContact CA-O 3.14Å; Y1276-L1298 HydrophobicContact CD1-CD1 3.48Å; Y1276-L1298 VanDerWaalsContact CD1-CD1 3.48Å; Y1276-L1298 HydrophobicContact CE1-CD1 3.59Å; Y1276-L1298 HydrophobicContact CE1-CD2 4.17Å; Y1276-V1311 HydrophobicContact CD2-CG2 4.19Å; Y1276-V1311 HydrophobicContact CG-CG2 4.21Å; Y1276-L1318 HydrophobicContact CD1-CD1 3.43Å; Y1276-L1318 VanDerWaalsContact CD1-CD1 3.43Å; Y1276-L1318 HydrophobicContact CE1-CD1 4.28Å; Y1276-L1318 HydrophobicContact CG-CD1 3.78Å; Y1276-L1333 HydrophobicContact CD1-CD2 4.31Å; Y1276-L1333 HydrophobicContact CE1-CD2 3.58Å; Y1276-L1333 HydrophobicContact CE2-CD1 4.42Å |
| 1277 | W | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156.7 | 177.7 | 70.8 | 101.4 | 0 | 0 | 0 | 112 | L1241 V1256 A1263 G1265 L1266 R1286 V1295 | L1241-W1277 HydrophobicContact CD1-CD2 3.68Å; L1241-W1277 HydrophobicContact CD1-CE3 3.55Å; L1241-W1277 HydrophobicContact CD1-CG 4.23Å; L1241-W1277 HydrophobicContact CD1-CH2 4.15Å; L1241-W1277 HydrophobicContact CD1-CZ2 4.27Å; L1241-W1277 HydrophobicContact CD1-CZ3 3.78Å; L1241-W1277 HydrophobicContact CD2-CG 4.39Å; L1241-W1277 HydrophobicContact CG-CD2 4.44Å; V1256-W1277 HydrophobicContact CB-CH2 4.49Å; V1256-W1277 HydrophobicContact CG1-CH2 3.98Å; V1256-W1277 HydrophobicContact CG1-CZ2 3.88Å; V1256-W1277 HydrophobicContact CG2-CH2 4.2Å; A1263-W1277 HydrophobicContact CB-CG 4.35Å; G1265-W1277 CarbonylContact O-C 3.52Å; G1265-W1277 WeakPolarHBondContact O-CA 3.09Å; G1265-W1277 WeakPolarHBondContact O-CB 3.4Å; L1266-W1277 HydrophobicContact CD1-CB 4.01Å; W1277-R1286 HydrophobicContact CD2-CB 3.8Å; W1277-R1286 VanDerWaalsContact CE2-CB 3.43Å; W1277-R1286 HydrophobicContact CE3-CB 4.26Å; W1277-R1286 HydrophobicContact CG-CB 4.35Å; W1277-R1286 HydrophobicContact CH2-CB 4.1Å; W1277-R1286 HydrophobicContact CZ2-CB 3.59Å; W1277-R1286 HydrophobicContact CZ2-CG 4.35Å; W1277-R1286 HydrophobicContact CZ3-CB 4.42Å; W1277-R1286 PolarHBondContact N-O 3.47Å; W1277-R1286 PolarHBondContact O-N 2.03Å; W1277-V1295 HydrophobicContact CH2-CG1 4.06Å; W1277-V1295 HydrophobicContact CZ2-CG1 4.15Å |
| 1278 | S | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.6 | 171.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | A1263 V1264 G1265 P1306 E1307 | A1263-S1278 CarbonylContact C-O 3.48Å; A1263-S1278 VanDerWaalsContact CA-O 3.27Å; A1263-S1278 WeakPolarHBondContact CA-O 3.12Å; V1264-S1278 PolarHBondContact N-O 3.47Å; G1265-S1278 WeakPolarHBondContact CA-OG 3.43Å; G1265-S1278 PolarHBondContact N-OG 3.32Å; G1265-S1278 PolarHBondContact O-N 2.04Å; S1278-P1306 WeakPolarHBondContact CB-O 3.38Å; S1278-P1306 PolarHBondContact OG-O 3.09Å; S1278-E1307 PolarHBondContact OG-O 3.45Å |
| 1279 | D | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 102.1 | 175 | 172.8 | 14.6 | 0 | 0 | 0 | 107.7 | Q1261 V1262 S1281 G1282 H1283 C1284 R1286 | Q1261-D1279 VanDerWaalsContact CA-OD1 3.27Å; Q1261-D1279 WeakPolarHBondContact CA-OD1 3.37Å; Q1261-D1279 HydrophobicContact CB-CB 4.45Å; Q1261-D1279 WeakPolarHBondContact CB-OD1 3.2Å; Q1261-D1279 WeakPolarHBondContact CB-OD2 3.31Å; V1262-D1279 PolarHBondContact N-OD1 3.11Å; V1262-D1279 WeakPolarHBondContact O-CA 3.17Å; D1279-S1281 PolarHBondContact OD1-N 3.47Å; D1279-G1282 CarbonylContact O-C 3.36Å; D1279-G1282 PolarHBondContact OD1-N 3.29Å; D1279-G1282 WeakPolarHBondContact OD2-CA 3.3Å; D1279-H1283 PolarHBondContact O-N 3.24Å; D1279-H1283 VanDerWaalsContact O-N 3.11Å; D1279-C1284 PolarHBondContact N-O 3.47Å; D1279-C1284 PolarHBondContact O-N 2.05Å; D1279-R1286 HydrophobicContact CB-CG 4.34Å; D1279-R1286 IonicContact OD2-CZ 2.83Å; D1279-R1286 IonicContact OD2-NE 3.71Å; D1279-R1286 PolarHBondContact OD2-NE 2.89Å; D1279-R1286 IonicContact OD2-NH2 3.8Å; D1279-R1286 PolarHBondContact OD2-NH2 3.29Å |
| 1280 | V | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -42.9 | -174.1 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | I972 V1262 V1264 G1282 H1283 P1306 | I972-V1280 HydrophobicContact CG2-CG1 4.5Å; V1262-V1280 PolarHBondContact O-N 2.84Å; V1262-V1280 VanDerWaalsContact O-N 3.12Å; V1264-V1280 HydrophobicContact CB-CG2 4.1Å; V1264-V1280 HydrophobicContact CG2-CB 4.27Å; V1264-V1280 HydrophobicContact CG2-CG2 3.59Å; V1280-G1282 VanDerWaalsContact C-N 3.27Å; V1280-G1282 PolarHBondContact O-N 2.75Å; V1280-H1283 PolarHBondContact O-N 3.46Å; V1280-H1283 PolarHBondContact O-ND1 3.26Å; V1280-H1283 VanDerWaalsContact O-ND1 3.07Å; V1280-P1306 WeakPolarHBondContact CG2-O 3.32Å |
| 1281 | S | 85.3 | Confident | 90.4 | Very high | 34 Ų | 34 | 26 Ų | 26 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -34.5 | 176.1 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | E970 Y1260 V1262 D1279 H1283 | E970-S1281 VanDerWaalsContact OE2-CA 3.23Å; E970-S1281 WeakPolarHBondContact OE2-CA 3.47Å; E970-S1281 VanDerWaalsContact OE2-CB 3.23Å; E970-S1281 WeakPolarHBondContact OE2-CB 3.36Å; E970-S1281 PolarHBondContact OE2-OG 3.36Å; Y1260-S1281 VanDerWaalsContact O-CB 3.25Å; Y1260-S1281 WeakPolarHBondContact O-CB 3.44Å; V1262-S1281 VanDerWaalsContact CB-OG 3.27Å; V1262-S1281 WeakPolarHBondContact CB-OG 3.17Å; V1262-S1281 WeakPolarHBondContact CG2-OG 3.11Å; D1279-S1281 PolarHBondContact OD1-N 3.47Å; S1281-H1283 VanDerWaalsContact C-N 3.33Å |
| 1282 | G | 82.2 | Confident | 90.1 | Very high | 30 Ų | 30 | 23 Ų | 23 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1279 V1280 C1284 | D1279-G1282 CarbonylContact O-C 3.36Å; D1279-G1282 PolarHBondContact OD1-N 3.29Å; D1279-G1282 WeakPolarHBondContact OD2-CA 3.3Å; V1280-G1282 VanDerWaalsContact C-N 3.27Å; V1280-G1282 PolarHBondContact O-N 2.75Å; G1282-C1284 WeakPolarHBondContact O-CB 3.44Å; G1282-C1284 PolarHBondContact O-N 2.91Å; G1282-C1284 PolarHBondContact O-SG 3.17Å |
| 1283 | H | 90.3 | Very high | 89.6 | Confident | 82 Ų | 82 | 20.8 Ų | 20.8 | 38% | 0.38 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 37.3 | -176.5 | -55.7 | -46.1 | 0 | 0 | 0 | 114.6 | D1279 V1280 S1281 I1303 S1304 | D1279-H1283 PolarHBondContact O-N 3.24Å; D1279-H1283 VanDerWaalsContact O-N 3.11Å; V1280-H1283 PolarHBondContact O-N 3.46Å; V1280-H1283 PolarHBondContact O-ND1 3.26Å; V1280-H1283 VanDerWaalsContact O-ND1 3.07Å; S1281-H1283 VanDerWaalsContact C-N 3.33Å; H1283-I1303 WeakPolarHBondContact O-CB 3.31Å; H1283-I1303 WeakPolarHBondContact O-CG2 3.4Å; H1283-S1304 PolarHBondContact ND1-O 3.15Å |
| 1284 | C | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 163.1 | -168 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | D1279 G1282 M1297 F1299 | D1279-C1284 PolarHBondContact N-O 3.47Å; D1279-C1284 PolarHBondContact O-N 2.05Å; G1282-C1284 WeakPolarHBondContact O-CB 3.44Å; G1282-C1284 PolarHBondContact O-N 2.91Å; G1282-C1284 PolarHBondContact O-SG 3.17Å; C1284-M1297 HydrophobicContact CB-CE 4.27Å; C1284-M1297 HydrophobicContact CB-CG 3.91Å; C1284-M1297 HydrophobicContact CB-SD 4.12Å; C1284-F1299 WeakPolarHBondContact CA-O 3.43Å; C1284-F1299 WeakPolarHBondContact CB-O 3.28Å |
| 1285 | L | 94.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.8 | 163.4 | -68.5 | 173.1 | 0 | 0 | 0 | 109.1 | L1298 F1299 I1303 P1306 V1309 L1318 Y1320 | L1285-L1298 HydrophobicContact CB-CB 4.27Å; L1285-L1298 HydrophobicContact CB-CD1 4.19Å; L1285-L1298 WeakPolarHBondContact O-CB 3.41Å; L1285-L1298 PolarHBondContact O-N 3.18Å; L1285-F1299 HydrophobicContact CD1-CD2 4.26Å; L1285-F1299 PolarHBondContact N-O 3.37Å; L1285-I1303 HydrophobicContact CD1-CD1 4.07Å; L1285-I1303 HydrophobicContact CG-CD1 4.02Å; L1285-P1306 HydrophobicContact CD2-CB 4.19Å; L1285-V1309 HydrophobicContact CD2-CG2 3.95Å; L1285-L1318 HydrophobicContact CD1-CD2 3.99Å; L1285-Y1320 HydrophobicContact CD1-CD1 3.65Å; L1285-Y1320 HydrophobicContact CD1-CE1 3.87Å; L1285-Y1320 HydrophobicContact CD1-CG 4.01Å; L1285-Y1320 HydrophobicContact CD2-CG 4.49Å |
| 1286 | R | 94.2 | Very high | 88.8 | Confident | 37 Ų | 37 | 29.3 Ų | 29.3 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 158.8 | 179.4 | -64.4 | -175.3 | -173 | -87.7 | 1.1 | 111.2 | Y1276 W1277 D1279 N1296 | Y1276-R1286 WeakPolarHBondContact CA-O 3.14Å; W1277-R1286 HydrophobicContact CD2-CB 3.8Å; W1277-R1286 VanDerWaalsContact CE2-CB 3.43Å; W1277-R1286 HydrophobicContact CE3-CB 4.26Å; W1277-R1286 HydrophobicContact CG-CB 4.35Å; W1277-R1286 HydrophobicContact CH2-CB 4.1Å; W1277-R1286 HydrophobicContact CZ2-CB 3.59Å; W1277-R1286 HydrophobicContact CZ2-CG 4.35Å; W1277-R1286 HydrophobicContact CZ3-CB 4.42Å; W1277-R1286 PolarHBondContact N-O 3.47Å; W1277-R1286 PolarHBondContact O-N 2.03Å; D1279-R1286 HydrophobicContact CB-CG 4.34Å; D1279-R1286 IonicContact OD2-CZ 2.83Å; D1279-R1286 IonicContact OD2-NE 3.71Å; D1279-R1286 PolarHBondContact OD2-NE 2.89Å; D1279-R1286 IonicContact OD2-NH2 3.8Å; D1279-R1286 PolarHBondContact OD2-NH2 3.29Å; R1286-N1296 CarbonylContact C-O 3.57Å; R1286-N1296 VanDerWaalsContact CA-O 3.29Å; R1286-N1296 WeakPolarHBondContact CA-O 3.39Å |
| 1287 | S | 94.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160 | 168.3 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | L1275 V1295 N1296 | L1275-S1287 CarbonylContact O-C 3.57Å; L1275-S1287 WeakPolarHBondContact O-CA 3.49Å; L1275-S1287 WeakPolarHBondContact O-CB 3.29Å; S1287-V1295 CarbonylContact O-C 3.57Å; S1287-V1295 VanDerWaalsContact O-CA 3.31Å; S1287-V1295 WeakPolarHBondContact O-CA 3.37Å; S1287-N1296 PolarHBondContact N-O 3.3Å; S1287-N1296 PolarHBondContact O-N 3.31Å |
| 1288 | S | 93.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167 | 168.1 | 71.9 | 0 | 0 | 0 | 0 | 109.2 | K1274 L1275 S1293 | K1274-S1288 CarbonylContact C-O 3.49Å; K1274-S1288 VanDerWaalsContact CA-O 3.28Å; K1274-S1288 WeakPolarHBondContact CA-O 3.46Å; L1275-S1288 PolarHBondContact N-O 2.95Å; L1275-S1288 PolarHBondContact O-N 3.5Å; S1288-S1293 WeakPolarHBondContact CB-O 3.31Å |
| 1289 | N | 89.2 | Confident | 87.6 | Confident | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 161.1 | 163.4 | -61.5 | -37.2 | 0 | 0 | 0 | 110.4 | D1291 G1292 S1293 E1294 | N1289-D1291 PolarHBondContact O-N 3.24Å; N1289-D1291 VanDerWaalsContact O-N 3.11Å; N1289-G1292 PolarHBondContact O-N 3.2Å; N1289-S1293 PolarHBondContact N-O 2.98Å; N1289-S1293 PolarHBondContact ND2-OG 3.3Å; N1289-S1293 VanDerWaalsContact ND2-OG 3.08Å; N1289-E1294 VanDerWaalsContact ND2-CD 3.32Å; N1289-E1294 PolarHBondContact ND2-OE2 2.73Å |
| 1290 | L | 85.6 | Confident | 86.9 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -16.5 | 179.1 | -176.2 | 61.5 | 0 | 0 | 0 | 113.8 | R1229 I1234 F1268 D1273 L1275 I1486 | R1229-L1290 HydrophobicContact CG-CD2 4.49Å; I1234-L1290 HydrophobicContact CD1-CD1 3.64Å; F1268-L1290 HydrophobicContact CD2-CD1 4.26Å; F1268-L1290 HydrophobicContact CE2-CB 4.38Å; F1268-L1290 HydrophobicContact CE2-CD1 3.9Å; F1268-L1290 HydrophobicContact CE2-CD2 3.99Å; F1268-L1290 HydrophobicContact CE2-CG 4.32Å; F1268-L1290 HydrophobicContact CZ-CD2 4.14Å; D1273-L1290 HydrophobicContact CB-CB 4.33Å; D1273-L1290 WeakPolarHBondContact O-CB 3.27Å; D1273-L1290 PolarHBondContact O-N 3.17Å; L1275-L1290 HydrophobicContact CD1-CD1 4.33Å; L1275-L1290 HydrophobicContact CD2-CD1 4.22Å; L1275-L1290 HydrophobicContact CG-CD1 4.31Å; L1290-I1486 HydrophobicContact CD1-CD1 4.27Å; L1290-I1486 HydrophobicContact CD1-CG1 4.47Å |
| 1291 | D | 76.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 17% | 0.171 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.4 | 173.8 | 73.2 | -8.8 | 0 | 0 | 0 | 114.3 | R1227 L1255 N1289 S1293 | R1227-D1291 HydrophobicContact CG-CB 4.08Å; R1227-D1291 IonicContact CZ-OD2 2.84Å; R1227-D1291 IonicContact NE-OD2 3.85Å; R1227-D1291 PolarHBondContact NE-OD2 2.98Å; R1227-D1291 IonicContact NH2-OD2 2.76Å; R1227-D1291 PolarHBondContact NH2-OD2 3.43Å; L1255-D1291 VanDerWaalsContact CD1-C 3.4Å; N1289-D1291 PolarHBondContact O-N 3.24Å; N1289-D1291 VanDerWaalsContact O-N 3.11Å; D1291-S1293 VanDerWaalsContact C-N 3.34Å; D1291-S1293 VanDerWaalsContact OD1-CB 3.23Å; D1291-S1293 WeakPolarHBondContact OD1-CB 3.44Å; D1291-S1293 PolarHBondContact OD1-N 3.48Å; D1291-S1293 PolarHBondContact OD1-OG 3.37Å |
| 1292 | G | 79.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 87.8 | -4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1255 N1289 | L1255-G1292 WeakPolarHBondContact O-CA 3.17Å; N1289-G1292 PolarHBondContact O-N 3.2Å |
| 1293 | S | 77.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | trans | -75.1 | 163.5 | 176 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | S1288 N1289 D1291 V1295 | S1288-S1293 WeakPolarHBondContact CB-O 3.31Å; N1289-S1293 PolarHBondContact N-O 2.98Å; N1289-S1293 PolarHBondContact ND2-OG 3.3Å; N1289-S1293 VanDerWaalsContact ND2-OG 3.08Å; D1291-S1293 VanDerWaalsContact C-N 3.34Å; D1291-S1293 VanDerWaalsContact OD1-CB 3.23Å; D1291-S1293 WeakPolarHBondContact OD1-CB 3.44Å; D1291-S1293 PolarHBondContact OD1-N 3.48Å; D1291-S1293 PolarHBondContact OD1-OG 3.37Å; S1293-V1295 PolarHBondContact O-N 3.33Å | ||
| 1294 | E | 82.6 | Confident | 86.4 | Confident | 132 Ų | 132 | 42.4 Ų | 42.4 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | trans | 56.2 | 48.5 | 173.9 | -56.3 | -178.9 | 163.6 | 0 | 0 | 113.2 | N1289 N1296 | N1289-E1294 VanDerWaalsContact ND2-CD 3.32Å; N1289-E1294 PolarHBondContact ND2-OE2 2.73Å; E1294-N1296 PolarHBondContact O-N 2.81Å; E1294-N1296 VanDerWaalsContact O-N 3.08Å; E1294-N1296 PolarHBondContact O-ND2 2.99Å | ||
| 1295 | V | 87 | Confident | 86.3 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | trans | -62.8 | 106.8 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | V1256 V1258 W1277 S1287 S1293 | V1256-V1295 HydrophobicContact CB-CG2 4.48Å; V1256-V1295 HydrophobicContact CG1-CG1 4.35Å; V1256-V1295 HydrophobicContact CG1-CG2 3.72Å; V1256-V1295 HydrophobicContact CG2-CG2 3.95Å; V1258-V1295 HydrophobicContact CG2-CG1 4.11Å; W1277-V1295 HydrophobicContact CH2-CG1 4.06Å; W1277-V1295 HydrophobicContact CZ2-CG1 4.15Å; S1287-V1295 CarbonylContact O-C 3.57Å; S1287-V1295 VanDerWaalsContact O-CA 3.31Å; S1287-V1295 WeakPolarHBondContact O-CA 3.37Å; S1293-V1295 PolarHBondContact O-N 3.33Å | ||
| 1296 | N | 88.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.5 | -177.4 | -76.4 | -77.5 | 0 | 0 | 0 | 111.1 | R1286 S1287 E1294 | R1286-N1296 CarbonylContact C-O 3.57Å; R1286-N1296 VanDerWaalsContact CA-O 3.29Å; R1286-N1296 WeakPolarHBondContact CA-O 3.39Å; S1287-N1296 PolarHBondContact N-O 3.3Å; S1287-N1296 PolarHBondContact O-N 3.31Å; E1294-N1296 PolarHBondContact O-N 2.81Å; E1294-N1296 VanDerWaalsContact O-N 3.08Å; E1294-N1296 PolarHBondContact O-ND2 2.99Å |
| 1297 | M | 88.6 | Confident | 86.2 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 46% | 0.458 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 124.6 | 168.8 | -170.1 | 179.4 | -74.8 | 0 | 0 | 108.3 | C1284 D1300 | C1284-M1297 HydrophobicContact CB-CE 4.27Å; C1284-M1297 HydrophobicContact CB-CG 3.91Å; C1284-M1297 HydrophobicContact CB-SD 4.12Å; M1297-D1300 HydrophobicContact CG-CB 4.48Å; M1297-D1300 HydrophobicContact SD-CB 3.61Å |
| 1298 | L | 87.8 | Confident | 86.2 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -40.1 | -175.7 | -65.1 | 160.9 | 0 | 0 | 0 | 111.8 | Y1276 L1285 M1336 | Y1276-L1298 HydrophobicContact CD1-CD1 3.48Å; Y1276-L1298 VanDerWaalsContact CD1-CD1 3.48Å; Y1276-L1298 HydrophobicContact CE1-CD1 3.59Å; Y1276-L1298 HydrophobicContact CE1-CD2 4.17Å; L1285-L1298 HydrophobicContact CB-CB 4.27Å; L1285-L1298 HydrophobicContact CB-CD1 4.19Å; L1285-L1298 WeakPolarHBondContact O-CB 3.41Å; L1285-L1298 PolarHBondContact O-N 3.18Å; L1298-M1336 HydrophobicContact CB-CE 4.18Å; L1298-M1336 HydrophobicContact CD2-CE 3.83Å |
| 1299 | F | 85.1 | Confident | 86.3 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 129.2 | -178.2 | -62.5 | -84.9 | 0 | 0 | 0 | 109.1 | C1284 L1285 I1303 V1331 M1336 | C1284-F1299 WeakPolarHBondContact CA-O 3.43Å; C1284-F1299 WeakPolarHBondContact CB-O 3.28Å; L1285-F1299 HydrophobicContact CD1-CD2 4.26Å; L1285-F1299 PolarHBondContact N-O 3.37Å; F1299-I1303 HydrophobicContact CB-CD1 3.58Å; F1299-I1303 HydrophobicContact CG-CD1 4.39Å; F1299-V1331 HydrophobicContact CE2-CG1 3.54Å; F1299-V1331 HydrophobicContact CZ-CG1 3.62Å; F1299-M1336 HydrophobicContact CD2-CE 4.5Å; F1299-M1336 WeakPolarHBondContact CE1-O 3.4Å; F1299-M1336 HydrophobicContact CE2-CE 3.62Å; F1299-M1336 HydrophobicContact CZ-CB 4.41Å; F1299-M1336 HydrophobicContact CZ-CE 3.64Å; F1299-M1336 WeakPolarHBondContact CZ-O 3.46Å |
| 1300 | D | 78.7 | Confident | 86.6 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | trans | -116.9 | 3.6 | -175.3 | 70 | -33.6 | 0 | 0 | 0 | 113.4 | R684 M1297 | R684-D1300 IonicContact CZ-OD2 2.92Å; R684-D1300 IonicContact NH1-OD2 2.98Å; R684-D1300 IonicContact NH2-OD2 2.7Å; R684-D1300 PolarHBondContact NH2-OD2 3.2Å; M1297-D1300 HydrophobicContact CG-CB 4.48Å; M1297-D1300 HydrophobicContact SD-CB 3.61Å | ||
| 1301 | T | 78.1 | Confident | 87.1 | Confident | 61 Ų | 61 | 40.2 Ų | 40.2 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -139 | 155.3 | -166.7 | 38.1 | 0 | 0 | 0 | 0 | 109.5 | I1303 R1338 | T1301-I1303 PolarHBondContact O-N 2.94Å; T1301-R1338 PolarHBondContact O-NH1 3Å; T1301-R1338 PolarHBondContact O-NH2 3.18Å |
| 1302 | D | 82.3 | Confident | 87.8 | Confident | 101 Ų | 101 | 38.8 Ų | 38.8 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 46.2 | 30.4 | -178.1 | -34.7 | -47.6 | 0 | 0 | 0 | 115.3 | R1325 R1338 | D1302-R1325 PolarHBondContact O-NE 2.82Å; D1302-R1325 VanDerWaalsContact O-NE 3.15Å; D1302-R1338 IonicContact OD2-CZ 3.83Å; D1302-R1338 IonicContact OD2-NE 3.96Å; D1302-R1338 IonicContact OD2-NH2 3.14Å; D1302-R1338 PolarHBondContact OD2-NH2 3.04Å |
| 1303 | I | 89.5 | Confident | 88.3 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | trans | -131.4 | 147.5 | 176.4 | -69 | 178.5 | 0 | 0 | 0 | 106.6 | H1283 L1285 F1299 T1301 P1306 Y1320 D1322 | H1283-I1303 WeakPolarHBondContact O-CB 3.31Å; H1283-I1303 WeakPolarHBondContact O-CG2 3.4Å; L1285-I1303 HydrophobicContact CD1-CD1 4.07Å; L1285-I1303 HydrophobicContact CG-CD1 4.02Å; F1299-I1303 HydrophobicContact CB-CD1 3.58Å; F1299-I1303 HydrophobicContact CG-CD1 4.39Å; T1301-I1303 PolarHBondContact O-N 2.94Å; I1303-P1306 HydrophobicContact CG2-CB 4.04Å; I1303-P1306 HydrophobicContact CG2-CG 3.54Å; I1303-Y1320 HydrophobicContact CD1-CE2 4.2Å; I1303-Y1320 HydrophobicContact CG1-CE2 4.02Å; I1303-Y1320 WeakPolarHBondContact CG1-OH 3.43Å; I1303-D1322 WeakPolarHBondContact CA-OD2 3.25Å | ||
| 1304 | S | 88.1 | Confident | 88.8 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 23% | 0.231 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -147.5 | -49.8 | -173.3 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | H1283 D1322 V1324 | H1283-S1304 PolarHBondContact ND1-O 3.15Å; S1304-D1322 PolarHBondContact N-OD2 3.37Å; S1304-V1324 VanDerWaalsContact CB-CB 3.5Å |
| 1305 | S | 91.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -136.4 | 72.6 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | E1307 D1322 S1323 | S1305-E1307 PolarHBondContact O-N 2.87Å; S1305-D1322 PolarHBondContact N-OD1 2.85Å; S1305-D1322 PolarHBondContact N-OD2 2.84Å; S1305-D1322 CarbonylContact O-C 3.57Å; S1305-D1322 WeakPolarHBondContact O-CA 3.33Å; S1305-S1323 WeakPolarHBondContact CB-OG 3.48Å; S1305-S1323 PolarHBondContact O-N 3.01Å; S1305-S1323 PolarHBondContact O-OG 2.89Å; S1305-S1323 PolarHBondContact OG-OG 2.95Å | ||
| 1306 | P | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 101.9 | 174.8 | 29.5 | -35.5 | 0 | 0 | 0 | 109.9 | S1278 V1280 L1285 I1303 Y1320 A1321 | S1278-P1306 WeakPolarHBondContact CB-O 3.38Å; S1278-P1306 PolarHBondContact OG-O 3.09Å; V1280-P1306 WeakPolarHBondContact CG2-O 3.32Å; L1285-P1306 HydrophobicContact CD2-CB 4.19Å; I1303-P1306 HydrophobicContact CG2-CB 4.04Å; I1303-P1306 HydrophobicContact CG2-CG 3.54Å; P1306-Y1320 HydrophobicContact CB-CD2 4.12Å; P1306-A1321 CarbonylContact C-O 3.46Å; P1306-A1321 WeakPolarHBondContact CA-O 3.45Å |
| 1307 | E | 93.1 | Very high | 89.6 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -67.1 | -178.2 | -80.4 | -167.1 | -135.9 | 0 | 0 | 112.1 | V1264 G1265 S1278 S1305 A1321 S1323 R1350 | V1264-E1307 HydrophobicContact CG1-CB 4.49Å; V1264-E1307 WeakPolarHBondContact CG1-O 3.44Å; G1265-E1307 WeakPolarHBondContact CA-O 3.3Å; G1265-E1307 PolarHBondContact N-O 3.4Å; S1278-E1307 PolarHBondContact OG-O 3.45Å; S1305-E1307 PolarHBondContact O-N 2.87Å; E1307-A1321 PolarHBondContact N-O 2.91Å; E1307-S1323 WeakPolarHBondContact CG-OG 3.03Å; E1307-S1323 VanDerWaalsContact OE1-CB 3.22Å; E1307-S1323 WeakPolarHBondContact OE1-CB 3.37Å; E1307-S1323 PolarHBondContact OE1-OG 2.97Å; E1307-R1350 IonicContact OE1-NH2 3.67Å; E1307-R1350 IonicContact OE2-CZ 2.86Å; E1307-R1350 IonicContact OE2-NE 2.76Å; E1307-R1350 PolarHBondContact OE2-NE 2.6Å; E1307-R1350 IonicContact OE2-NH2 3.23Å; E1307-R1350 PolarHBondContact OE2-NH2 3.33Å |
| 1308 | G | 93.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 146.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1320 A1321 R1350 | G1308-Y1320 CarbonylContact O-C 3.59Å; G1308-Y1320 WeakPolarHBondContact O-CA 3.28Å; G1308-A1321 PolarHBondContact O-N 2.83Å; G1308-R1350 WeakPolarHBondContact CA-O 3.35Å; G1308-R1350 PolarHBondContact N-O 3.45Å |
| 1309 | V | 95.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | L1285 L1318 Y1319 | L1285-V1309 HydrophobicContact CD2-CG2 3.95Å; V1309-L1318 HydrophobicContact CG1-CD1 3.82Å; V1309-L1318 HydrophobicContact CG1-CD2 4.17Å; V1309-L1318 HydrophobicContact CG1-CG 3.85Å; V1309-Y1319 CarbonylContact C-O 3.6Å; V1309-Y1319 WeakPolarHBondContact CA-O 3.26Å |
| 1310 | C | 95.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.7 | 162.5 | 69 | 0 | 0 | 0 | 0 | 112.1 | D1267 L1318 Y1319 L1352 | D1267-C1310 WeakPolarHBondContact OD2-CA 3.38Å; C1310-L1318 CarbonylContact O-C 3.55Å; C1310-L1318 WeakPolarHBondContact O-CA 3.19Å; C1310-Y1319 PolarHBondContact N-O 2.77Å; C1310-Y1319 PolarHBondContact O-N 2.57Å; C1310-L1352 HydrophobicContact CB-CB 4.23Å |
| 1311 | V | 94.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 109.4 | -169.7 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | D1267 D1269 Y1276 S1313 N1317 L1318 L1333 | D1267-V1311 HydrophobicContact CB-CB 4.5Å; D1267-V1311 HydrophobicContact CB-CG2 4.14Å; D1267-V1311 PolarHBondContact OD2-N 2.98Å; D1269-V1311 HydrophobicContact CB-CG1 4.05Å; Y1276-V1311 HydrophobicContact CD2-CG2 4.19Å; Y1276-V1311 HydrophobicContact CG-CG2 4.21Å; V1311-S1313 PolarHBondContact O-N 2.83Å; V1311-N1317 CarbonylContact C-O 3.52Å; V1311-L1318 HydrophobicContact CG2-CB 4.29Å; V1311-L1318 HydrophobicContact CG2-CD1 4.06Å; V1311-L1318 HydrophobicContact CG2-CG 4.17Å; V1311-L1333 HydrophobicContact CG1-CD1 4.02Å |
| 1312 | D | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 80.8 | 163.7 | -170.8 | -23 | 0 | 0 | 0 | 109.4 | V1314 N1315 R1316 N1317 Y1319 L1354 | D1312-V1314 PolarHBondContact O-N 2.84Å; D1312-V1314 VanDerWaalsContact O-N 3.12Å; D1312-V1314 PolarHBondContact OD1-N 2.92Å; D1312-N1315 VanDerWaalsContact CG-ND2 3.28Å; D1312-N1315 PolarHBondContact O-N 2.92Å; D1312-N1315 PolarHBondContact OD1-N 2.91Å; D1312-N1315 PolarHBondContact OD1-ND2 2.81Å; D1312-N1315 VanDerWaalsContact OD1-ND2 3.1Å; D1312-N1315 WeakPolarHBondContact OD2-CB 3.39Å; D1312-N1315 PolarHBondContact OD2-ND2 3.16Å; D1312-R1316 WeakPolarHBondContact O-CA 3.4Å; D1312-R1316 PolarHBondContact O-N 3.31Å; D1312-N1317 CarbonylContact C-O 3.51Å; D1312-N1317 WeakPolarHBondContact CA-O 3.27Å; D1312-N1317 HydrophobicContact CB-CB 4.29Å; D1312-N1317 PolarHBondContact N-O 2.89Å; D1312-N1317 PolarHBondContact O-N 2.8Å; D1312-Y1319 HydrophobicContact CB-CE2 4.2Å; D1312-L1354 HydrophobicContact CB-CD2 3.67Å |
| 1313 | S | 90 | Very high | 93.1 | Very high | 16 Ų | 16 | 7.8 Ų | 7.8 | 11% | 0.112 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -34.8 | 178.7 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | C1270 N1271 V1311 R1316 | C1270-S1313 PolarHBondContact N-OG 3.41Å; N1271-S1313 PolarHBondContact ND2-O 2.93Å; V1311-S1313 PolarHBondContact O-N 2.83Å; S1313-R1316 WeakPolarHBondContact O-CD 3.47Å; S1313-R1316 PolarHBondContact O-NH1 2.87Å |
| 1314 | V | 87 | Confident | 93.2 | Very high | 25 Ų | 25 | 8 Ų | 8 | 15% | 0.152 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -47.6 | -172.9 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | D1312 R1316 G1493 T1495 | D1312-V1314 PolarHBondContact O-N 2.84Å; D1312-V1314 VanDerWaalsContact O-N 3.12Å; D1312-V1314 PolarHBondContact OD1-N 2.92Å; V1314-R1316 VanDerWaalsContact C-N 3.27Å; V1314-G1493 VanDerWaalsContact CG1-O 3.31Å; V1314-G1493 WeakPolarHBondContact CG1-O 3.24Å; V1314-T1495 HydrophobicContact CG1-CG2 3.78Å |
| 1315 | N | 89.2 | Confident | 93.4 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.2 | 177.6 | -60.5 | -72.8 | 0 | 0 | 0 | 113.1 | D1312 T1495 C1497 | D1312-N1315 VanDerWaalsContact CG-ND2 3.28Å; D1312-N1315 PolarHBondContact O-N 2.92Å; D1312-N1315 PolarHBondContact OD1-N 2.91Å; D1312-N1315 PolarHBondContact OD1-ND2 2.81Å; D1312-N1315 VanDerWaalsContact OD1-ND2 3.1Å; D1312-N1315 WeakPolarHBondContact OD2-CB 3.39Å; D1312-N1315 PolarHBondContact OD2-ND2 3.16Å; N1315-T1495 VanDerWaalsContact OD1-CB 3.23Å; N1315-T1495 WeakPolarHBondContact OD1-CB 3.01Å; N1315-T1495 WeakPolarHBondContact OD1-CG2 3.34Å; N1315-T1495 PolarHBondContact OD1-OG1 3.01Å; N1315-C1497 HydrophobicContact CB-CB 4.19Å |
| 1316 | R | 91.9 | Very high | 93.5 | Very high | 21 Ų | 21 | 13.1 Ų | 13.1 | 8% | 0.079 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 45.7 | -177.9 | -51.1 | -61.6 | -53.3 | 133.2 | 1.3 | 112.1 | D1269 E1272 D1312 S1313 V1314 L1333 N1334 | D1269-R1316 IonicContact OD1-CZ 3.3Å; D1269-R1316 IonicContact OD1-NH1 2.88Å; D1269-R1316 PolarHBondContact OD1-NH1 2.98Å; D1269-R1316 IonicContact OD2-CZ 3.64Å; D1269-R1316 IonicContact OD2-NH1 2.73Å; D1269-R1316 PolarHBondContact OD2-NH1 3.33Å; D1269-R1316 IonicContact OD2-NH2 2.68Å; D1269-R1316 PolarHBondContact OD2-NH2 3.11Å; E1272-R1316 IonicContact OE1-CZ 3.77Å; E1272-R1316 IonicContact OE1-NE 3.84Å; E1272-R1316 IonicContact OE1-NH2 3.49Å; E1272-R1316 PolarHBondContact OE1-NH2 2.95Å; D1312-R1316 WeakPolarHBondContact O-CA 3.4Å; D1312-R1316 PolarHBondContact O-N 3.31Å; S1313-R1316 WeakPolarHBondContact O-CD 3.47Å; S1313-R1316 PolarHBondContact O-NH1 2.87Å; V1314-R1316 VanDerWaalsContact C-N 3.27Å; R1316-L1333 WeakPolarHBondContact O-CB 3.48Å; R1316-L1333 PolarHBondContact O-N 3.09Å; R1316-N1334 VanDerWaalsContact CB-CG 3.5Å; R1316-N1334 VanDerWaalsContact CB-ND2 3.35Å; R1316-N1334 WeakPolarHBondContact CB-ND2 3.5Å; R1316-N1334 WeakPolarHBondContact CB-OD1 3.38Å; R1316-N1334 WeakPolarHBondContact CG-OD1 3.27Å |
| 1317 | N | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.5 | 175.8 | -57.8 | -47.2 | 0 | 0 | 0 | 111.5 | V1311 D1312 Y1319 I1330 V1331 C1508 | V1311-N1317 CarbonylContact C-O 3.52Å; D1312-N1317 CarbonylContact C-O 3.51Å; D1312-N1317 WeakPolarHBondContact CA-O 3.27Å; D1312-N1317 HydrophobicContact CB-CB 4.29Å; D1312-N1317 PolarHBondContact N-O 2.89Å; D1312-N1317 PolarHBondContact O-N 2.8Å; N1317-Y1319 HydrophobicContact CB-CE2 4.38Å; N1317-I1330 HydrophobicContact CB-CD1 4Å; N1317-I1330 HydrophobicContact CB-CG1 4.01Å; N1317-V1331 CarbonylContact C-O 3.56Å; N1317-V1331 WeakPolarHBondContact CA-O 3.42Å; N1317-C1508 PolarHBondContact ND2-O 3.1Å |
| 1318 | L | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.7 | 168.6 | 173.1 | 157.6 | 0 | 0 | 0 | 107.6 | Y1276 L1285 V1309 C1310 V1311 Y1320 I1330 V1331 L1333 | Y1276-L1318 HydrophobicContact CD1-CD1 3.43Å; Y1276-L1318 VanDerWaalsContact CD1-CD1 3.43Å; Y1276-L1318 HydrophobicContact CE1-CD1 4.28Å; Y1276-L1318 HydrophobicContact CG-CD1 3.78Å; L1285-L1318 HydrophobicContact CD1-CD2 3.99Å; V1309-L1318 HydrophobicContact CG1-CD1 3.82Å; V1309-L1318 HydrophobicContact CG1-CD2 4.17Å; V1309-L1318 HydrophobicContact CG1-CG 3.85Å; C1310-L1318 CarbonylContact O-C 3.55Å; C1310-L1318 WeakPolarHBondContact O-CA 3.19Å; V1311-L1318 HydrophobicContact CG2-CB 4.29Å; V1311-L1318 HydrophobicContact CG2-CD1 4.06Å; V1311-L1318 HydrophobicContact CG2-CG 4.17Å; L1318-Y1320 HydrophobicContact CD2-CD1 4.07Å; L1318-I1330 CarbonylContact O-C 3.59Å; L1318-V1331 HydrophobicContact CB-CB 4.35Å; L1318-V1331 HydrophobicContact CD2-CB 4.32Å; L1318-V1331 HydrophobicContact CD2-CG2 4.06Å; L1318-V1331 PolarHBondContact N-O 3.41Å; L1318-V1331 PolarHBondContact O-N 3.11Å; L1318-L1333 HydrophobicContact CB-CD2 3.91Å; L1318-L1333 HydrophobicContact CB-CG 4.26Å; L1318-L1333 HydrophobicContact CD1-CD2 4.43Å |
| 1319 | Y | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.6 | 170.7 | -59.7 | -99.9 | 0 | 0 | 0 | 108.5 | V1309 C1310 D1312 N1317 T1329 I1330 I1341 L1354 L1361 L1378 | V1309-Y1319 CarbonylContact C-O 3.6Å; V1309-Y1319 WeakPolarHBondContact CA-O 3.26Å; C1310-Y1319 PolarHBondContact N-O 2.77Å; C1310-Y1319 PolarHBondContact O-N 2.57Å; D1312-Y1319 HydrophobicContact CB-CE2 4.2Å; N1317-Y1319 HydrophobicContact CB-CE2 4.38Å; Y1319-T1329 CarbonylContact C-O 3.6Å; Y1319-T1329 WeakPolarHBondContact CA-O 3.26Å; Y1319-I1330 HydrophobicContact CD1-CB 3.8Å; Y1319-I1330 HydrophobicContact CD1-CD1 4.21Å; Y1319-I1330 HydrophobicContact CD1-CG1 3.79Å; Y1319-I1330 HydrophobicContact CE1-CB 3.78Å; Y1319-I1330 HydrophobicContact CE1-CD1 3.4Å; Y1319-I1330 VanDerWaalsContact CE1-CD1 3.4Å; Y1319-I1330 HydrophobicContact CE1-CG1 3.52Å; Y1319-I1330 HydrophobicContact CE2-CD1 4.18Å; Y1319-I1330 HydrophobicContact CE2-CG1 4.29Å; Y1319-I1330 HydrophobicContact CG-CG1 4.32Å; Y1319-I1330 VanDerWaalsContact OH-CD1 3.28Å; Y1319-I1330 WeakPolarHBondContact OH-CD1 3.37Å; Y1319-I1341 HydrophobicContact CD1-CD1 3.78Å; Y1319-I1341 HydrophobicContact CE1-CD1 3.75Å; Y1319-L1354 HydrophobicContact CE2-CD1 4.17Å; Y1319-L1361 HydrophobicContact CD1-CD2 3.68Å; Y1319-L1361 HydrophobicContact CE1-CD2 4.18Å; Y1319-L1361 HydrophobicContact CG-CD1 4.41Å; Y1319-L1361 HydrophobicContact CG-CD2 4.09Å; Y1319-L1378 WeakPolarHBondContact OH-CB 3.05Å; Y1319-L1378 PolarHBondContact OH-O 3.31Å |
| 1320 | Y | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.9 | 169.5 | 70.5 | -81.8 | 0 | 0 | 0 | 111.5 | L1285 I1303 P1306 G1308 L1318 D1322 I1328 T1329 V1331 | L1285-Y1320 HydrophobicContact CD1-CD1 3.65Å; L1285-Y1320 HydrophobicContact CD1-CE1 3.87Å; L1285-Y1320 HydrophobicContact CD1-CG 4.01Å; L1285-Y1320 HydrophobicContact CD2-CG 4.49Å; I1303-Y1320 HydrophobicContact CD1-CE2 4.2Å; I1303-Y1320 HydrophobicContact CG1-CE2 4.02Å; I1303-Y1320 WeakPolarHBondContact CG1-OH 3.43Å; P1306-Y1320 HydrophobicContact CB-CD2 4.12Å; G1308-Y1320 CarbonylContact O-C 3.59Å; G1308-Y1320 WeakPolarHBondContact O-CA 3.28Å; L1318-Y1320 HydrophobicContact CD2-CD1 4.07Å; Y1320-D1322 HydrophobicContact CD2-CB 4.19Å; Y1320-D1322 HydrophobicContact CE2-CB 3.97Å; Y1320-I1328 WeakPolarHBondContact O-CA 3.46Å; Y1320-T1329 HydrophobicContact CD1-CG2 4.16Å; Y1320-T1329 HydrophobicContact CE1-CG2 3.34Å; Y1320-T1329 PolarHBondContact N-O 2.93Å; Y1320-T1329 PolarHBondContact O-N 3Å; Y1320-V1331 HydrophobicContact CD1-CG2 3.82Å; Y1320-V1331 HydrophobicContact CE1-CG2 3.61Å |
| 1321 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | P1306 E1307 G1308 I1328 P1349 L1352 | P1306-A1321 CarbonylContact C-O 3.46Å; P1306-A1321 WeakPolarHBondContact CA-O 3.45Å; E1307-A1321 PolarHBondContact N-O 2.91Å; G1308-A1321 PolarHBondContact O-N 2.83Å; A1321-I1328 HydrophobicContact CB-CG1 4.13Å; A1321-P1349 HydrophobicContact CB-CB 3.95Å; A1321-P1349 HydrophobicContact CB-CG 4.27Å; A1321-L1352 HydrophobicContact CB-CD1 4.29Å; A1321-L1352 HydrophobicContact CB-CD2 4.32Å; A1321-L1352 HydrophobicContact CB-CG 4.24Å |
| 1322 | D | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 106.8 | 168.3 | -162.3 | -51.9 | 0 | 0 | 0 | 107.8 | I1303 S1304 S1305 Y1320 V1324 R1325 D1326 E1327 | I1303-D1322 WeakPolarHBondContact CA-OD2 3.25Å; S1304-D1322 PolarHBondContact N-OD2 3.37Å; S1305-D1322 PolarHBondContact N-OD1 2.85Å; S1305-D1322 PolarHBondContact N-OD2 2.84Å; S1305-D1322 CarbonylContact O-C 3.57Å; S1305-D1322 WeakPolarHBondContact O-CA 3.33Å; Y1320-D1322 HydrophobicContact CD2-CB 4.19Å; Y1320-D1322 HydrophobicContact CE2-CB 3.97Å; D1322-V1324 VanDerWaalsContact C-N 3.3Å; D1322-V1324 PolarHBondContact O-N 2.87Å; D1322-V1324 WeakPolarHBondContact OD1-CB 3.06Å; D1322-V1324 PolarHBondContact OD1-N 3.21Å; D1322-R1325 HydrophobicContact CB-CB 4.16Å; D1322-R1325 PolarHBondContact O-N 2.86Å; D1322-R1325 PolarHBondContact OD1-N 2.96Å; D1322-D1326 PolarHBondContact O-N 2.9Å; D1322-E1327 HydrophobicContact CB-CG 4.37Å; D1322-E1327 PolarHBondContact N-O 2.79Å; D1322-E1327 PolarHBondContact O-N 2.92Å |
| 1323 | S | 93.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -37.1 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | P975 S1305 E1307 R1325 D1326 | P975-S1323 WeakPolarHBondContact CB-O 3.46Å; P975-S1323 WeakPolarHBondContact CG-O 3.38Å; S1305-S1323 WeakPolarHBondContact CB-OG 3.48Å; S1305-S1323 PolarHBondContact O-N 3.01Å; S1305-S1323 PolarHBondContact O-OG 2.89Å; S1305-S1323 PolarHBondContact OG-OG 2.95Å; E1307-S1323 WeakPolarHBondContact CG-OG 3.03Å; E1307-S1323 VanDerWaalsContact OE1-CB 3.22Å; E1307-S1323 WeakPolarHBondContact OE1-CB 3.37Å; E1307-S1323 PolarHBondContact OE1-OG 2.97Å; S1323-R1325 PolarHBondContact O-N 2.84Å; S1323-D1326 PolarHBondContact O-N 2.85Å |
| 1324 | V | 90 | Very high | 93.5 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 8% | 0.079 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.6 | 179.3 | 163.8 | 0 | 0 | 0 | 0 | 113.5 | L973 P975 S1304 D1322 | L973-V1324 HydrophobicContact CB-CG1 3.94Å; L973-V1324 HydrophobicContact CB-CG2 4.21Å; L973-V1324 HydrophobicContact CD2-CG1 3.6Å; L973-V1324 HydrophobicContact CG-CG1 3.73Å; L973-V1324 WeakPolarHBondContact O-CG2 3.46Å; P975-V1324 WeakPolarHBondContact CA-O 3.47Å; P975-V1324 WeakPolarHBondContact CB-O 3.35Å; P975-V1324 HydrophobicContact CG-CG2 4.45Å; S1304-V1324 VanDerWaalsContact CB-CB 3.5Å; D1322-V1324 VanDerWaalsContact C-N 3.3Å; D1322-V1324 PolarHBondContact O-N 2.87Å; D1322-V1324 WeakPolarHBondContact OD1-CB 3.06Å; D1322-V1324 PolarHBondContact OD1-N 3.21Å |
| 1325 | R | 92.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 16 Ų | 16 | 37% | 0.374 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 10 | -170.9 | -62.3 | 169.3 | 50.9 | 78.6 | 11.3 | 112.4 | D1302 D1322 S1323 E1327 | D1302-R1325 PolarHBondContact O-NE 2.82Å; D1302-R1325 VanDerWaalsContact O-NE 3.15Å; D1322-R1325 HydrophobicContact CB-CB 4.16Å; D1322-R1325 PolarHBondContact O-N 2.86Å; D1322-R1325 PolarHBondContact OD1-N 2.96Å; S1323-R1325 PolarHBondContact O-N 2.84Å; R1325-E1327 HydrophobicContact CB-CG 3.78Å; R1325-E1327 IonicContact CZ-OE1 2.68Å; R1325-E1327 VanDerWaalsContact CZ-OE1 3.23Å; R1325-E1327 IonicContact NE-OE1 3.93Å; R1325-E1327 PolarHBondContact NE-OE1 2.96Å; R1325-E1327 IonicContact NH2-OE1 3.51Å; R1325-E1327 PolarHBondContact NH2-OE1 2.96Å; R1325-E1327 IonicContact NH2-OE2 2.69Å; R1325-E1327 WeakPolarHBondContact O-CB 3.23Å; R1325-E1327 PolarHBondContact O-N 3.05Å |
| 1326 | D | 93.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 19.6 Ų | 19.6 | 23% | 0.23 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 32.6 | -173.7 | -68.9 | -2.2 | 0 | 0 | 0 | 112.6 | P975 H976 D1322 S1323 L1346 | P975-D1326 WeakPolarHBondContact CB-OD1 3.36Å; H976-D1326 IonicContact CE1-OD1 3.12Å; H976-D1326 PolarHBondContact CE1-OD1 2.79Å; H976-D1326 IonicContact ND1-OD1 2.91Å; H976-D1326 PolarHBondContact ND1-OD1 2.87Å; H976-D1326 IonicContact ND1-OD2 2.74Å; D1322-D1326 PolarHBondContact O-N 2.9Å; S1323-D1326 PolarHBondContact O-N 2.85Å; D1326-L1346 WeakPolarHBondContact O-CD1 3.33Å |
| 1327 | E | 95.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.2 | -168.9 | 78.4 | -177.9 | 176.7 | 0 | 0 | 114.3 | D1322 R1325 P1340 I1342 | D1322-E1327 HydrophobicContact CB-CG 4.37Å; D1322-E1327 PolarHBondContact N-O 2.79Å; D1322-E1327 PolarHBondContact O-N 2.92Å; R1325-E1327 HydrophobicContact CB-CG 3.78Å; R1325-E1327 IonicContact CZ-OE1 2.68Å; R1325-E1327 VanDerWaalsContact CZ-OE1 3.23Å; R1325-E1327 IonicContact NE-OE1 3.93Å; R1325-E1327 PolarHBondContact NE-OE1 2.96Å; R1325-E1327 IonicContact NH2-OE1 3.51Å; R1325-E1327 PolarHBondContact NH2-OE1 2.96Å; R1325-E1327 IonicContact NH2-OE2 2.69Å; R1325-E1327 WeakPolarHBondContact O-CB 3.23Å; R1325-E1327 PolarHBondContact O-N 3.05Å; E1327-P1340 VanDerWaalsContact OE2-CB 3.32Å; E1327-P1340 WeakPolarHBondContact OE2-CB 3.22Å; E1327-I1342 WeakPolarHBondContact CA-O 3.43Å; E1327-I1342 WeakPolarHBondContact CB-O 3.21Å |
| 1328 | I | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.1 | 167.2 | -67.8 | 167.2 | 0 | 0 | 0 | 107.3 | Y1320 A1321 I1341 I1342 L1346 P1349 L1352 L1361 Y1363 | Y1320-I1328 WeakPolarHBondContact O-CA 3.46Å; A1321-I1328 HydrophobicContact CB-CG1 4.13Å; I1328-I1341 HydrophobicContact CG2-CD1 4.22Å; I1328-I1341 HydrophobicContact CG2-CG1 4.11Å; I1328-I1341 WeakPolarHBondContact O-CG1 3.45Å; I1328-I1341 PolarHBondContact O-N 3.02Å; I1328-I1342 HydrophobicContact CB-CB 4.43Å; I1328-I1342 HydrophobicContact CD1-CD1 4.24Å; I1328-I1342 PolarHBondContact N-O 3.04Å; I1328-I1342 PolarHBondContact O-N 2.81Å; I1328-L1346 HydrophobicContact CD1-CD1 3.82Å; I1328-L1346 HydrophobicContact CD1-CD2 4.4Å; I1328-L1346 HydrophobicContact CG1-CD1 3.75Å; I1328-P1349 HydrophobicContact CD1-CB 4.47Å; I1328-P1349 HydrophobicContact CG1-CB 4.39Å; I1328-L1352 HydrophobicContact CD1-CD2 3.89Å; I1328-L1352 HydrophobicContact CG1-CD2 4.3Å; I1328-L1352 HydrophobicContact CG2-CD1 4.4Å; I1328-L1352 HydrophobicContact CG2-CD2 4.31Å; I1328-L1361 HydrophobicContact CG2-CD2 3.96Å; I1328-Y1363 HydrophobicContact CD1-CD1 4.15Å; I1328-Y1363 HydrophobicContact CD1-CD2 4.18Å; I1328-Y1363 HydrophobicContact CD1-CG 3.73Å |
| 1329 | T | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | -169.2 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | Y1319 Y1320 R1338 I1339 P1340 | Y1319-T1329 CarbonylContact C-O 3.6Å; Y1319-T1329 WeakPolarHBondContact CA-O 3.26Å; Y1320-T1329 HydrophobicContact CD1-CG2 4.16Å; Y1320-T1329 HydrophobicContact CE1-CG2 3.34Å; Y1320-T1329 PolarHBondContact N-O 2.93Å; Y1320-T1329 PolarHBondContact O-N 3Å; T1329-R1338 HydrophobicContact CG2-CB 3.91Å; T1329-I1339 WeakPolarHBondContact CA-O 3.03Å; T1329-P1340 WeakPolarHBondContact OG1-CA 3.27Å |
| 1330 | I | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 141.5 | 170.2 | -165.2 | 176.9 | 0 | 0 | 0 | 109.9 | N1317 L1318 Y1319 R1338 I1339 I1341 V1507 V1509 L1519 | N1317-I1330 HydrophobicContact CB-CD1 4Å; N1317-I1330 HydrophobicContact CB-CG1 4.01Å; L1318-I1330 CarbonylContact O-C 3.59Å; Y1319-I1330 HydrophobicContact CD1-CB 3.8Å; Y1319-I1330 HydrophobicContact CD1-CD1 4.21Å; Y1319-I1330 HydrophobicContact CD1-CG1 3.79Å; Y1319-I1330 HydrophobicContact CE1-CB 3.78Å; Y1319-I1330 HydrophobicContact CE1-CD1 3.4Å; Y1319-I1330 VanDerWaalsContact CE1-CD1 3.4Å; Y1319-I1330 HydrophobicContact CE1-CG1 3.52Å; Y1319-I1330 HydrophobicContact CE2-CD1 4.18Å; Y1319-I1330 HydrophobicContact CE2-CG1 4.29Å; Y1319-I1330 HydrophobicContact CG-CG1 4.32Å; Y1319-I1330 VanDerWaalsContact OH-CD1 3.28Å; Y1319-I1330 WeakPolarHBondContact OH-CD1 3.37Å; I1330-R1338 CarbonylContact O-C 3.58Å; I1330-R1338 VanDerWaalsContact O-CA 3.25Å; I1330-R1338 WeakPolarHBondContact O-CA 3.47Å; I1330-I1339 HydrophobicContact CG2-CB 4.05Å; I1330-I1339 WeakPolarHBondContact CG2-O 3.34Å; I1330-I1339 PolarHBondContact N-O 2.86Å; I1330-I1339 PolarHBondContact O-N 2.96Å; I1330-I1341 HydrophobicContact CB-CG2 4.2Å; I1330-I1341 HydrophobicContact CG2-CG2 3.66Å; I1330-V1507 HydrophobicContact CD1-CG1 3.72Å; I1330-V1507 HydrophobicContact CG1-CG1 4.1Å; I1330-V1507 HydrophobicContact CG2-CG1 4.12Å; I1330-V1509 HydrophobicContact CD1-CG1 3.39Å; I1330-L1519 HydrophobicContact CD1-CD1 4.41Å; I1330-L1519 HydrophobicContact CG2-CD1 3.95Å |
| 1331 | V | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.8 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | F1299 N1317 L1318 Y1320 H1337 R1338 | F1299-V1331 HydrophobicContact CE2-CG1 3.54Å; F1299-V1331 HydrophobicContact CZ-CG1 3.62Å; N1317-V1331 CarbonylContact C-O 3.56Å; N1317-V1331 WeakPolarHBondContact CA-O 3.42Å; L1318-V1331 HydrophobicContact CB-CB 4.35Å; L1318-V1331 HydrophobicContact CD2-CB 4.32Å; L1318-V1331 HydrophobicContact CD2-CG2 4.06Å; L1318-V1331 PolarHBondContact N-O 3.41Å; L1318-V1331 PolarHBondContact O-N 3.11Å; Y1320-V1331 HydrophobicContact CD1-CG2 3.82Å; Y1320-V1331 HydrophobicContact CE1-CG2 3.61Å; V1331-H1337 WeakPolarHBondContact CA-O 3.32Å; V1331-R1338 HydrophobicContact CG2-CB 3.95Å |
| 1332 | S | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.1 | 166.9 | -175 | 0 | 0 | 0 | 0 | 110.3 | N1334 T1335 M1336 H1337 | S1332-N1334 PolarHBondContact O-N 2.9Å; S1332-N1334 PolarHBondContact OG-N 3.14Å; S1332-T1335 WeakPolarHBondContact CB-OG1 3.47Å; S1332-T1335 PolarHBondContact O-N 3.3Å; S1332-M1336 VanDerWaalsContact O-CA 3.27Å; S1332-M1336 WeakPolarHBondContact O-CA 3.45Å; S1332-M1336 PolarHBondContact O-N 3.35Å; S1332-H1337 PolarHBondContact N-O 3.33Å |
| 1333 | L | 91.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.8 | 172.7 | -59.6 | 178.3 | 0 | 0 | 0 | 112 | Y1276 V1311 R1316 L1318 | Y1276-L1333 HydrophobicContact CD1-CD2 4.31Å; Y1276-L1333 HydrophobicContact CE1-CD2 3.58Å; Y1276-L1333 HydrophobicContact CE2-CD1 4.42Å; V1311-L1333 HydrophobicContact CG1-CD1 4.02Å; R1316-L1333 WeakPolarHBondContact O-CB 3.48Å; R1316-L1333 PolarHBondContact O-N 3.09Å; L1318-L1333 HydrophobicContact CB-CD2 3.91Å; L1318-L1333 HydrophobicContact CB-CG 4.26Å; L1318-L1333 HydrophobicContact CD1-CD2 4.43Å |
| 1334 | N | 88 | Confident | 92.2 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -42.8 | 174.8 | -71.4 | -27.4 | 0 | 0 | 0 | 113 | R1316 S1332 | R1316-N1334 VanDerWaalsContact CB-CG 3.5Å; R1316-N1334 VanDerWaalsContact CB-ND2 3.35Å; R1316-N1334 WeakPolarHBondContact CB-ND2 3.5Å; R1316-N1334 WeakPolarHBondContact CB-OD1 3.38Å; R1316-N1334 WeakPolarHBondContact CG-OD1 3.27Å; S1332-N1334 PolarHBondContact O-N 2.9Å; S1332-N1334 PolarHBondContact OG-N 3.14Å |
| 1335 | T | 87.8 | Confident | 92.1 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -6.4 | -169.4 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | S1332 H1337 Y1506 | S1332-T1335 WeakPolarHBondContact CB-OG1 3.47Å; S1332-T1335 PolarHBondContact O-N 3.3Å; T1335-H1337 PolarHBondContact O-N 3.03Å; T1335-H1337 VanDerWaalsContact O-N 3.1Å; T1335-H1337 PolarHBondContact O-ND1 2.83Å; T1335-H1337 PolarHBondContact OG1-ND1 2.74Å; T1335-Y1506 VanDerWaalsContact CG2-O 3.28Å; T1335-Y1506 WeakPolarHBondContact CG2-O 3.3Å; T1335-Y1506 PolarHBondContact OG1-O 3.49Å |
| 1336 | M | 89.8 | Confident | 92.1 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 40% | 0.404 | 21% | 0.209 | S | C | . | . | trans | 54.6 | 20.5 | -174.5 | -60.9 | -58.9 | -69.1 | 0 | 0 | 114.8 | L1298 F1299 S1332 | L1298-M1336 HydrophobicContact CB-CE 4.18Å; L1298-M1336 HydrophobicContact CD2-CE 3.83Å; F1299-M1336 HydrophobicContact CD2-CE 4.5Å; F1299-M1336 WeakPolarHBondContact CE1-O 3.4Å; F1299-M1336 HydrophobicContact CE2-CE 3.62Å; F1299-M1336 HydrophobicContact CZ-CB 4.41Å; F1299-M1336 HydrophobicContact CZ-CE 3.64Å; F1299-M1336 WeakPolarHBondContact CZ-O 3.46Å; S1332-M1336 VanDerWaalsContact O-CA 3.27Å; S1332-M1336 WeakPolarHBondContact O-CA 3.45Å; S1332-M1336 PolarHBondContact O-N 3.35Å | ||
| 1337 | H | 90 | Very high | 92 | Very high | 80 Ų | 80 | 39.9 Ų | 39.9 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | trans | -90.6 | 137.1 | 172.1 | -69.1 | 76.3 | 0 | 0 | 0 | 110.7 | V1331 S1332 T1335 Y1506 | V1331-H1337 WeakPolarHBondContact CA-O 3.32Å; S1332-H1337 PolarHBondContact N-O 3.33Å; T1335-H1337 PolarHBondContact O-N 3.03Å; T1335-H1337 VanDerWaalsContact O-N 3.1Å; T1335-H1337 PolarHBondContact O-ND1 2.83Å; T1335-H1337 PolarHBondContact OG1-ND1 2.74Å; H1337-Y1506 HydrophobicContact CB-CD1 4.2Å; H1337-Y1506 AromaticContact CD2-CD1 3.33Å; H1337-Y1506 WeakPolarHBondContact CD2-CD1 3.34Å; H1337-Y1506 AromaticContact CD2-CE1 3.56Å; H1337-Y1506 AromaticContact CG-CD1 3.74Å; H1337-Y1506 AromaticContact NE2-CD1 3.79Å; H1337-Y1506 AromaticContact NE2-CE1 3.67Å | ||
| 1338 | R | 90.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.8 | 175.5 | 66.3 | 176.7 | 167.3 | -147.8 | -8.6 | 112.2 | T1301 D1302 T1329 I1330 V1331 | T1301-R1338 PolarHBondContact O-NH1 3Å; T1301-R1338 PolarHBondContact O-NH2 3.18Å; D1302-R1338 IonicContact OD2-CZ 3.83Å; D1302-R1338 IonicContact OD2-NE 3.96Å; D1302-R1338 IonicContact OD2-NH2 3.14Å; D1302-R1338 PolarHBondContact OD2-NH2 3.04Å; T1329-R1338 HydrophobicContact CG2-CB 3.91Å; I1330-R1338 CarbonylContact O-C 3.58Å; I1330-R1338 VanDerWaalsContact O-CA 3.25Å; I1330-R1338 WeakPolarHBondContact O-CA 3.47Å; V1331-R1338 HydrophobicContact CG2-CB 3.95Å |
| 1339 | I | 92.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 119.6 | -178.9 | -56 | 173.2 | 0 | 0 | 0 | 109 | T1329 I1330 I1341 V1507 L1519 C1520 | T1329-I1339 WeakPolarHBondContact CA-O 3.03Å; I1330-I1339 HydrophobicContact CG2-CB 4.05Å; I1330-I1339 WeakPolarHBondContact CG2-O 3.34Å; I1330-I1339 PolarHBondContact N-O 2.86Å; I1330-I1339 PolarHBondContact O-N 2.96Å; I1339-I1341 PolarHBondContact O-N 2.96Å; I1339-V1507 HydrophobicContact CD1-CB 4Å; I1339-V1507 HydrophobicContact CD1-CG2 3.59Å; I1339-V1507 HydrophobicContact CG1-CG2 4.08Å; I1339-L1519 HydrophobicContact CD1-CB 3.63Å; I1339-L1519 VanDerWaalsContact CD1-O 3.24Å; I1339-L1519 WeakPolarHBondContact CD1-O 3.48Å; I1339-C1520 VanDerWaalsContact CD1-CA 3.47Å; I1339-C1520 VanDerWaalsContact CD1-N 3.35Å |
| 1340 | P | 92.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 29% | 0.286 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.5 | 170.1 | 27 | -34.2 | 0 | 0 | 0 | 110.9 | E1327 T1329 K1343 | E1327-P1340 VanDerWaalsContact OE2-CB 3.32Å; E1327-P1340 WeakPolarHBondContact OE2-CB 3.22Å; T1329-P1340 WeakPolarHBondContact OG1-CA 3.27Å; P1340-K1343 HydrophobicContact CB-CG 3.85Å; P1340-K1343 HydrophobicContact CG-CD 4.33Å; P1340-K1343 HydrophobicContact CG-CG 4.18Å |
| 1341 | I | 94.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -16.6 | -178.8 | 59.1 | 169 | 0 | 0 | 0 | 113.2 | Y1319 I1328 I1330 I1339 L1361 L1376 L1519 | Y1319-I1341 HydrophobicContact CD1-CD1 3.78Å; Y1319-I1341 HydrophobicContact CE1-CD1 3.75Å; I1328-I1341 HydrophobicContact CG2-CD1 4.22Å; I1328-I1341 HydrophobicContact CG2-CG1 4.11Å; I1328-I1341 WeakPolarHBondContact O-CG1 3.45Å; I1328-I1341 PolarHBondContact O-N 3.02Å; I1330-I1341 HydrophobicContact CB-CG2 4.2Å; I1330-I1341 HydrophobicContact CG2-CG2 3.66Å; I1339-I1341 PolarHBondContact O-N 2.96Å; I1341-L1361 HydrophobicContact CD1-CD2 4.18Å; I1341-L1376 HydrophobicContact CD1-CD1 3.86Å; I1341-L1519 HydrophobicContact CG2-CD1 4.08Å |
| 1342 | I | 94.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.7 | 163.9 | -63.5 | 170.4 | 0 | 0 | 0 | 106.8 | E1327 I1328 L1346 Y1363 L1376 R1383 | E1327-I1342 WeakPolarHBondContact CA-O 3.43Å; E1327-I1342 WeakPolarHBondContact CB-O 3.21Å; I1328-I1342 HydrophobicContact CB-CB 4.43Å; I1328-I1342 HydrophobicContact CD1-CD1 4.24Å; I1328-I1342 PolarHBondContact N-O 3.04Å; I1328-I1342 PolarHBondContact O-N 2.81Å; I1342-L1346 HydrophobicContact CB-CD1 4.18Å; I1342-L1346 HydrophobicContact CG2-CD1 3.63Å; I1342-L1346 HydrophobicContact CG2-CG 3.83Å; I1342-Y1363 HydrophobicContact CD1-CD1 4.48Å; I1342-Y1363 HydrophobicContact CD1-CE1 4.11Å; I1342-L1376 HydrophobicContact CD1-CD1 3.98Å; I1342-L1376 HydrophobicContact CD1-CD2 3.87Å; I1342-L1376 HydrophobicContact CD1-CG 4.5Å; I1342-L1376 HydrophobicContact CG1-CD1 4.36Å; I1342-R1383 HydrophobicContact CD1-CG 4.5Å |
| 1343 | K | 89.2 | Confident | 92.1 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | trans | -123.5 | -2 | 176.4 | -66.7 | -176.5 | 174.6 | -179.3 | 0 | 114.2 | P1340 E1522 | P1340-K1343 HydrophobicContact CB-CG 3.85Å; P1340-K1343 HydrophobicContact CG-CD 4.33Å; P1340-K1343 HydrophobicContact CG-CG 4.18Å; K1343-E1522 IonicContact NZ-OE1 2.76Å; K1343-E1522 PolarHBondContact NZ-OE1 3.07Å; K1343-E1522 IonicContact NZ-OE2 2.71Å; K1343-E1522 PolarHBondContact NZ-OE2 3.03Å | ||
| 1344 | E | 88.9 | Confident | 92.1 | Very high | 158 Ų | 158 | 43.3 Ų | 43.3 | 74% | 0.738 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -140.8 | 141 | -167.9 | -69.8 | -175.1 | -177.8 | 0 | 0 | 110.9 | L1346 R1383 | E1344-L1346 PolarHBondContact O-N 2.91Å; E1344-R1383 PolarHBondContact O-NH1 3.09Å |
| 1345 | G | 88.3 | Confident | 92.3 | Very high | 66 Ų | 66 | 39.8 Ų | 39.8 | 68% | 0.68 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 61.3 | 28.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1383 | G1345-R1383 PolarHBondContact O-NH2 3.35Š|
| 1346 | L | 92.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -90 | 156.1 | 142.7 | -63.9 | 166.8 | 0 | 0 | 0 | 106.6 | D1326 I1328 I1342 E1344 P1349 Y1363 D1365 R1383 | D1326-L1346 WeakPolarHBondContact O-CD1 3.33Å; I1328-L1346 HydrophobicContact CD1-CD1 3.82Å; I1328-L1346 HydrophobicContact CD1-CD2 4.4Å; I1328-L1346 HydrophobicContact CG1-CD1 3.75Å; I1342-L1346 HydrophobicContact CB-CD1 4.18Å; I1342-L1346 HydrophobicContact CG2-CD1 3.63Å; I1342-L1346 HydrophobicContact CG2-CG 3.83Å; E1344-L1346 PolarHBondContact O-N 2.91Å; L1346-P1349 HydrophobicContact CD1-CB 4.11Å; L1346-P1349 HydrophobicContact CD1-CG 4.21Å; L1346-P1349 HydrophobicContact CD2-CB 4.37Å; L1346-Y1363 HydrophobicContact CD2-CD2 3.79Å; L1346-Y1363 HydrophobicContact CD2-CE2 3.39Å; L1346-D1365 WeakPolarHBondContact CA-OD2 3.14Å; L1346-D1365 HydrophobicContact CD2-CB 4.45Å; L1346-R1383 VanDerWaalsContact CD2-NH2 3.31Å | ||
| 1347 | I | 91.9 | Very high | 91.9 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 32% | 0.323 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -113 | -89.1 | 153.2 | -63.8 | -160.7 | 0 | 0 | 0 | 105.7 | H976 P1349 D1365 N1367 | H976-I1347 HydrophobicContact CB-CG2 3.79Å; H976-I1347 PolarHBondContact CE1-O 2.88Å; H976-I1347 WeakPolarHBondContact ND1-CG2 3.05Å; H976-I1347 PolarHBondContact ND1-O 2.04Å; I1347-P1349 WeakPolarHBondContact O-CD 3.31Å; I1347-D1365 PolarHBondContact N-OD2 3.36Å; I1347-N1367 HydrophobicContact CB-CB 3.98Å; I1347-N1367 WeakPolarHBondContact CD1-ND2 3.25Å; I1347-N1367 HydrophobicContact CG2-CB 4.32Å |
| 1348 | N | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -95.2 | 76.6 | -174 | -55.4 | 88.8 | 0 | 0 | 0 | 114 | H976 R1350 D1365 W1366 N1367 | H976-N1348 PolarHBondContact CD2-ND2 2.89Å; H976-N1348 PolarHBondContact NE2-ND2 2.99Å; N1348-R1350 PolarHBondContact O-N 2.91Å; N1348-D1365 PolarHBondContact N-OD1 3.13Å; N1348-D1365 VanDerWaalsContact O-CA 3.29Å; N1348-D1365 WeakPolarHBondContact O-CA 3.37Å; N1348-W1366 HydrophobicContact CB-CD2 3.72Å; N1348-W1366 VanDerWaalsContact CB-CE2 3.46Å; N1348-W1366 HydrophobicContact CB-CE3 4.43Å; N1348-W1366 HydrophobicContact CB-CG 3.85Å; N1348-W1366 HydrophobicContact CB-CZ2 3.99Å; N1348-W1366 WeakPolarHBondContact ND2-CH2 3.09Å; N1348-W1366 VanDerWaalsContact ND2-CZ2 3.26Å; N1348-W1366 WeakPolarHBondContact ND2-CZ2 3.1Å; N1348-W1366 PolarHBondContact O-N 3.02Å; N1348-W1366 VanDerWaalsContact O-N 3.11Å; N1348-W1366 PolarHBondContact O-NE1 3.26Å; N1348-N1367 VanDerWaalsContact OD1-CA 3.29Å; N1348-N1367 WeakPolarHBondContact OD1-CA 3.32Å; N1348-N1367 PolarHBondContact OD1-N 2.94Å |
| 1349 | P | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.8 | 178.5 | 34.1 | -38.6 | 0 | 0 | 0 | 111 | A1321 I1328 L1346 I1347 S1364 | A1321-P1349 HydrophobicContact CB-CB 3.95Å; A1321-P1349 HydrophobicContact CB-CG 4.27Å; I1328-P1349 HydrophobicContact CD1-CB 4.47Å; I1328-P1349 HydrophobicContact CG1-CB 4.39Å; L1346-P1349 HydrophobicContact CD1-CB 4.11Å; L1346-P1349 HydrophobicContact CD1-CG 4.21Å; L1346-P1349 HydrophobicContact CD2-CB 4.37Å; I1347-P1349 WeakPolarHBondContact O-CD 3.31Å; P1349-S1364 CarbonylContact C-O 3.56Å; P1349-S1364 WeakPolarHBondContact CA-O 3.31Å |
| 1350 | R | 94 | Very high | 91.6 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -93.2 | 178.4 | 177.6 | 164.7 | -74.7 | 146.2 | 8.9 | 111.6 | E1307 G1308 N1348 S1364 W1366 N1395 | E1307-R1350 IonicContact OE1-NH2 3.67Å; E1307-R1350 IonicContact OE2-CZ 2.86Å; E1307-R1350 IonicContact OE2-NE 2.76Å; E1307-R1350 PolarHBondContact OE2-NE 2.6Å; E1307-R1350 IonicContact OE2-NH2 3.23Å; E1307-R1350 PolarHBondContact OE2-NH2 3.33Å; G1308-R1350 WeakPolarHBondContact CA-O 3.35Å; G1308-R1350 PolarHBondContact N-O 3.45Å; N1348-R1350 PolarHBondContact O-N 2.91Å; R1350-S1364 PolarHBondContact N-O 3.07Å; R1350-W1366 VanDerWaalsContact CZ-CE2 3.49Å; R1350-W1366 VanDerWaalsContact NH2-NE1 3.11Å; R1350-N1395 PolarHBondContact NH1-OD1 2.03Å |
| 1351 | A | 95.5 | Very high | 91.8 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 146.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1363 S1364 N1395 L1397 | A1351-Y1363 CarbonylContact O-C 3.47Å; A1351-Y1363 VanDerWaalsContact O-CA 3.26Å; A1351-Y1363 WeakPolarHBondContact O-CA 3.43Å; A1351-S1364 PolarHBondContact N-OG 2.99Å; A1351-S1364 VanDerWaalsContact N-OG 3.08Å; A1351-S1364 PolarHBondContact O-N 2.81Å; A1351-N1395 VanDerWaalsContact CB-O 3.28Å; A1351-N1395 WeakPolarHBondContact CB-O 3.26Å; A1351-L1397 HydrophobicContact CB-CB 4.08Å; A1351-L1397 HydrophobicContact CB-CD1 4.46Å; A1351-L1397 HydrophobicContact CB-CG 3.89Å |
| 1352 | L | 96.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.5 | 173.3 | -63.2 | -177 | 0 | 0 | 0 | 109.1 | C1310 A1321 I1328 L1361 Y1362 | C1310-L1352 HydrophobicContact CB-CB 4.23Å; A1321-L1352 HydrophobicContact CB-CD1 4.29Å; A1321-L1352 HydrophobicContact CB-CD2 4.32Å; A1321-L1352 HydrophobicContact CB-CG 4.24Å; I1328-L1352 HydrophobicContact CD1-CD2 3.89Å; I1328-L1352 HydrophobicContact CG1-CD2 4.3Å; I1328-L1352 HydrophobicContact CG2-CD1 4.4Å; I1328-L1352 HydrophobicContact CG2-CD2 4.31Å; L1352-L1361 HydrophobicContact CB-CD1 4.29Å; L1352-L1361 HydrophobicContact CD2-CD2 4.44Å; L1352-Y1362 WeakPolarHBondContact CA-O 3.35Å |
| 1353 | A | 95.8 | Very high | 92 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 132.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1362 L1397 V1399 | A1353-Y1362 PolarHBondContact N-O 2.75Å; A1353-Y1362 PolarHBondContact O-N 2.61Å; A1353-L1397 HydrophobicContact CB-CB 3.81Å; A1353-V1399 HydrophobicContact CB-CG2 4.01Å |
| 1354 | L | 93.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.9 | -171.5 | -170.5 | 73.9 | 0 | 0 | 0 | 111.8 | D1312 Y1319 T1356 L1361 L1378 | D1312-L1354 HydrophobicContact CB-CD2 3.67Å; Y1319-L1354 HydrophobicContact CE2-CD1 4.17Å; L1354-T1356 HydrophobicContact CD2-CG2 3.86Å; L1354-T1356 HydrophobicContact CG-CG2 4.15Å; L1354-L1361 HydrophobicContact CD1-CD1 4.41Å; L1354-L1378 HydrophobicContact CD1-CD1 4.29Å; L1354-L1378 HydrophobicContact CD1-CD2 3.41Å; L1354-L1378 VanDerWaalsContact CD1-CD2 3.41Å |
| 1355 | D | 91.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.5 | 167 | -171.7 | -29.2 | 0 | 0 | 0 | 109.5 | V1357 D1358 R1359 K1360 Y1362 V1399 | D1355-V1357 VanDerWaalsContact C-N 3.28Å; D1355-V1357 PolarHBondContact O-N 2.94Å; D1355-V1357 PolarHBondContact OD1-N 2.85Å; D1355-D1358 PolarHBondContact OD1-N 3.01Å; D1355-R1359 WeakPolarHBondContact O-CA 3.31Å; D1355-R1359 PolarHBondContact O-N 3.42Å; D1355-K1360 HydrophobicContact CB-CB 4.39Å; D1355-K1360 WeakPolarHBondContact CB-O 3.45Å; D1355-K1360 PolarHBondContact N-O 3.32Å; D1355-K1360 PolarHBondContact O-N 2.95Å; D1355-K1360 VanDerWaalsContact O-N 3.08Å; D1355-Y1362 HydrophobicContact CB-CD2 4.29Å; D1355-Y1362 HydrophobicContact CB-CE2 3.89Å; D1355-V1399 HydrophobicContact CB-CG1 4.01Å; D1355-V1399 HydrophobicContact CB-CG2 4.38Å |
| 1356 | T | 83.8 | Confident | 92.8 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 35% | 0.35 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.9 | -179.3 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | L1354 | L1354-T1356 HydrophobicContact CD2-CG2 3.86Å; L1354-T1356 HydrophobicContact CG-CG2 4.15Å |
| 1357 | V | 84.6 | Confident | 92.6 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 46% | 0.455 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -53.1 | -177 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | D1355 R1359 T1401 | D1355-V1357 VanDerWaalsContact C-N 3.28Å; D1355-V1357 PolarHBondContact O-N 2.94Å; D1355-V1357 PolarHBondContact OD1-N 2.85Å; V1357-R1359 VanDerWaalsContact C-N 3.25Å; V1357-T1401 HydrophobicContact CB-CG2 4.25Å; V1357-T1401 HydrophobicContact CG2-CG2 3.41Å; V1357-T1401 VanDerWaalsContact CG2-CG2 3.41Å |
| 1358 | D | 86.8 | Confident | 92.3 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.1 | 174.8 | -73.1 | -28.6 | 0 | 0 | 0 | 112.5 | D1355 R1404 T1421 | D1355-D1358 PolarHBondContact OD1-N 3.01Å; D1358-R1404 IonicContact OD1-CZ 3.42Å; D1358-R1404 IonicContact OD1-NE 3.52Å; D1358-R1404 IonicContact OD1-NH1 3.32Å; D1358-R1404 IonicContact OD1-NH2 2.66Å; D1358-R1404 PolarHBondContact OD1-NH2 2.83Å; D1358-R1404 IonicContact OD2-CZ 3.45Å; D1358-R1404 IonicContact OD2-NE 3.92Å; D1358-R1404 IonicContact OD2-NH2 3.95Å; D1358-R1404 PolarHBondContact OD2-NH2 2.87Å; D1358-T1421 PolarHBondContact OD2-OG1 3.48Å |
| 1359 | R | 89 | Confident | 92 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 51.4 | 178.1 | -58 | 178.5 | -174.4 | 179.7 | 2.8 | 111.7 | D1355 V1357 L1378 D1511 S1514 | D1355-R1359 WeakPolarHBondContact O-CA 3.31Å; D1355-R1359 PolarHBondContact O-N 3.42Å; V1357-R1359 VanDerWaalsContact C-N 3.25Å; R1359-L1378 HydrophobicContact CB-CD1 4.42Å; R1359-L1378 HydrophobicContact CB-CG 4.26Å; R1359-L1378 WeakPolarHBondContact O-CG 3.44Å; R1359-L1378 PolarHBondContact O-N 2.85Å; R1359-D1511 WeakPolarHBondContact CD-O 3.13Å; R1359-D1511 PolarHBondContact NH1-O 3.4Å; R1359-S1514 PolarHBondContact NH1-OG 2.78Å; R1359-S1514 PolarHBondContact NH2-OG 3.15Å |
| 1360 | K | 92.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.8 | 179.8 | -71.3 | -149.2 | 167.6 | -150.3 | 0 | 111.9 | D1355 Y1362 R1375 L1376 N1377 E1384 | D1355-K1360 HydrophobicContact CB-CB 4.39Å; D1355-K1360 WeakPolarHBondContact CB-O 3.45Å; D1355-K1360 PolarHBondContact N-O 3.32Å; D1355-K1360 PolarHBondContact O-N 2.95Å; D1355-K1360 VanDerWaalsContact O-N 3.08Å; K1360-Y1362 HydrophobicContact CB-CD2 4.44Å; K1360-Y1362 HydrophobicContact CB-CE2 4.05Å; K1360-R1375 HydrophobicContact CD-CB 4.47Å; K1360-R1375 HydrophobicContact CD-CG 4.02Å; K1360-L1376 CarbonylContact C-O 3.58Å; K1360-L1376 WeakPolarHBondContact CA-O 3.38Å; K1360-L1376 WeakPolarHBondContact CB-O 3.48Å; K1360-L1376 WeakPolarHBondContact CG-O 3.38Å; K1360-N1377 WeakPolarHBondContact CE-OD1 3.34Å; K1360-E1384 IonicContact NZ-OE2 3.38Å; K1360-E1384 PolarHBondContact NZ-OE2 2.92Å |
| 1361 | L | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.1 | 165.1 | -177.2 | 67.8 | 0 | 0 | 0 | 106.8 | Y1319 I1328 I1341 L1352 L1354 R1375 L1376 L1378 | Y1319-L1361 HydrophobicContact CD1-CD2 3.68Å; Y1319-L1361 HydrophobicContact CE1-CD2 4.18Å; Y1319-L1361 HydrophobicContact CG-CD1 4.41Å; Y1319-L1361 HydrophobicContact CG-CD2 4.09Å; I1328-L1361 HydrophobicContact CG2-CD2 3.96Å; I1341-L1361 HydrophobicContact CD1-CD2 4.18Å; L1352-L1361 HydrophobicContact CB-CD1 4.29Å; L1352-L1361 HydrophobicContact CD2-CD2 4.44Å; L1354-L1361 HydrophobicContact CD1-CD1 4.41Å; L1361-R1375 CarbonylContact O-C 3.6Å; L1361-R1375 VanDerWaalsContact O-CA 3.26Å; L1361-R1375 WeakPolarHBondContact O-CA 3.14Å; L1361-L1376 HydrophobicContact CB-CD2 4.11Å; L1361-L1376 HydrophobicContact CB-CG 4.08Å; L1361-L1376 HydrophobicContact CD2-CD2 4.35Å; L1361-L1376 HydrophobicContact CG-CD2 4.37Å; L1361-L1376 PolarHBondContact N-O 2.86Å; L1361-L1376 WeakPolarHBondContact O-CD2 3.35Å; L1361-L1376 PolarHBondContact O-N 3.5Å; L1361-L1378 HydrophobicContact CB-CD2 4.24Å |
| 1362 | Y | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.8 | 168.2 | -70.9 | -101.7 | 0 | 0 | 0 | 108.7 | L1352 A1353 D1355 K1360 G1374 R1375 Y1386 V1399 I1406 T1421 | L1352-Y1362 WeakPolarHBondContact CA-O 3.35Å; A1353-Y1362 PolarHBondContact N-O 2.75Å; A1353-Y1362 PolarHBondContact O-N 2.61Å; D1355-Y1362 HydrophobicContact CB-CD2 4.29Å; D1355-Y1362 HydrophobicContact CB-CE2 3.89Å; K1360-Y1362 HydrophobicContact CB-CD2 4.44Å; K1360-Y1362 HydrophobicContact CB-CE2 4.05Å; Y1362-G1374 WeakPolarHBondContact CA-O 3.29Å; Y1362-R1375 HydrophobicContact CD1-CB 3.48Å; Y1362-R1375 VanDerWaalsContact CD1-CB 3.48Å; Y1362-R1375 HydrophobicContact CD1-CG 4.39Å; Y1362-R1375 HydrophobicContact CD2-CB 4.35Å; Y1362-R1375 HydrophobicContact CE1-CB 3.6Å; Y1362-R1375 HydrophobicContact CE1-CG 4.05Å; Y1362-R1375 HydrophobicContact CE2-CB 4.45Å; Y1362-R1375 HydrophobicContact CG-CB 3.88Å; Y1362-R1375 VanDerWaalsContact CZ-CD 3.47Å; Y1362-R1375 WeakPolarHBondContact OH-CD 3.48Å; Y1362-R1375 PolarHBondContact OH-NH1 3.49Å; Y1362-Y1386 HydrophobicContact CD1-CD1 4.24Å; Y1362-Y1386 HydrophobicContact CD1-CG 4.5Å; Y1362-Y1386 AromaticContact CE1-CD1 3.76Å; Y1362-Y1386 HydrophobicContact CE1-CD1 3.76Å; Y1362-Y1386 HydrophobicContact CE1-CD2 4.29Å; Y1362-Y1386 AromaticContact CE1-CE1 3.89Å; Y1362-Y1386 HydrophobicContact CE1-CE1 3.89Å; Y1362-Y1386 HydrophobicContact CE1-CE2 4.4Å; Y1362-Y1386 HydrophobicContact CE1-CG 4.01Å; Y1362-V1399 HydrophobicContact CD2-CG2 3.96Å; Y1362-V1399 HydrophobicContact CE2-CG2 4.34Å; Y1362-I1406 VanDerWaalsContact CB-CD1 3.43Å; Y1362-I1406 HydrophobicContact CD1-CD1 3.33Å; Y1362-I1406 HydrophobicContact CD1-CG1 4.48Å; Y1362-I1406 HydrophobicContact CD1-CG2 4.29Å; Y1362-I1406 HydrophobicContact CD2-CD1 4.19Å; Y1362-I1406 HydrophobicContact CE1-CB 4.43Å; Y1362-I1406 HydrophobicContact CE1-CD1 4.08Å; Y1362-I1406 HydrophobicContact CE1-CG2 3.98Å; Y1362-I1406 HydrophobicContact CG-CD1 3.4Å; Y1362-I1406 VanDerWaalsContact CG-CD1 3.4Å; Y1362-T1421 WeakPolarHBondContact OH-CG2 3.02Å |
| 1363 | Y | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.1 | 177.6 | 67.9 | -90.9 | 0 | 0 | 0 | 110.7 | I1328 I1342 L1346 A1351 D1365 I1373 G1374 L1376 R1383 L1397 | I1328-Y1363 HydrophobicContact CD1-CD1 4.15Å; I1328-Y1363 HydrophobicContact CD1-CD2 4.18Å; I1328-Y1363 HydrophobicContact CD1-CG 3.73Å; I1342-Y1363 HydrophobicContact CD1-CD1 4.48Å; I1342-Y1363 HydrophobicContact CD1-CE1 4.11Å; L1346-Y1363 HydrophobicContact CD2-CD2 3.79Å; L1346-Y1363 HydrophobicContact CD2-CE2 3.39Å; A1351-Y1363 CarbonylContact O-C 3.47Å; A1351-Y1363 VanDerWaalsContact O-CA 3.26Å; A1351-Y1363 WeakPolarHBondContact O-CA 3.43Å; Y1363-D1365 HydrophobicContact CE2-CB 4.37Å; Y1363-I1373 CarbonylContact O-C 3.41Å; Y1363-I1373 WeakPolarHBondContact O-CA 3.12Å; Y1363-G1374 PolarHBondContact N-O 2.71Å; Y1363-G1374 PolarHBondContact O-N 2.9Å; Y1363-L1376 HydrophobicContact CD1-CD2 3.49Å; Y1363-L1376 VanDerWaalsContact CD1-CD2 3.49Å; Y1363-L1376 HydrophobicContact CE1-CD2 3.74Å; Y1363-R1383 HydrophobicContact CE1-CG 4.46Å; Y1363-R1383 PolarHBondContact OH-NE 2.79Å; Y1363-R1383 PolarHBondContact OH-NH2 3.38Å; Y1363-R1383 VanDerWaalsContact OH-NH2 3.15Å; Y1363-L1397 VanDerWaalsContact C-CD1 3.41Å |
| 1364 | S | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.3 | 166.7 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | P1349 R1350 A1351 P1394 | P1349-S1364 CarbonylContact C-O 3.56Å; P1349-S1364 WeakPolarHBondContact CA-O 3.31Å; R1350-S1364 PolarHBondContact N-O 3.07Å; A1351-S1364 PolarHBondContact N-OG 2.99Å; A1351-S1364 VanDerWaalsContact N-OG 3.08Å; A1351-S1364 PolarHBondContact O-N 2.81Å; S1364-P1394 WeakPolarHBondContact CB-O 3.43Å; S1364-P1394 PolarHBondContact OG-O 3.06Å |
| 1365 | D | 95.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.1 | 169.1 | 179.1 | -17.9 | 0 | 0 | 0 | 107.1 | L1346 I1347 N1348 Y1363 N1367 P1371 V1372 | L1346-D1365 WeakPolarHBondContact CA-OD2 3.14Å; L1346-D1365 HydrophobicContact CD2-CB 4.45Å; I1347-D1365 PolarHBondContact N-OD2 3.36Å; N1348-D1365 PolarHBondContact N-OD1 3.13Å; N1348-D1365 VanDerWaalsContact O-CA 3.29Å; N1348-D1365 WeakPolarHBondContact O-CA 3.37Å; Y1363-D1365 HydrophobicContact CE2-CB 4.37Å; D1365-N1367 VanDerWaalsContact OD1-CB 3.25Å; D1365-N1367 WeakPolarHBondContact OD1-CB 3.32Å; D1365-N1367 PolarHBondContact OD1-N 2.84Å; D1365-P1371 WeakPolarHBondContact O-CA 3.32Å; D1365-V1372 HydrophobicContact CB-CG1 3.83Å; D1365-V1372 PolarHBondContact N-O 2.88Å; D1365-V1372 PolarHBondContact O-N 2.9Å |
| 1366 | W | 91.1 | Very high | 92 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 16% | 0.163 | 20% | 0.204 | C | C | . | . | trans | -98.5 | 18.5 | -172.5 | 62.6 | -86.2 | 0 | 0 | 0 | 113.8 | N1348 R1350 R1368 L1393 | N1348-W1366 HydrophobicContact CB-CD2 3.72Å; N1348-W1366 VanDerWaalsContact CB-CE2 3.46Å; N1348-W1366 HydrophobicContact CB-CE3 4.43Å; N1348-W1366 HydrophobicContact CB-CG 3.85Å; N1348-W1366 HydrophobicContact CB-CZ2 3.99Å; N1348-W1366 WeakPolarHBondContact ND2-CH2 3.09Å; N1348-W1366 VanDerWaalsContact ND2-CZ2 3.26Å; N1348-W1366 WeakPolarHBondContact ND2-CZ2 3.1Å; N1348-W1366 PolarHBondContact O-N 3.02Å; N1348-W1366 VanDerWaalsContact O-N 3.11Å; N1348-W1366 PolarHBondContact O-NE1 3.26Å; R1350-W1366 VanDerWaalsContact CZ-CE2 3.49Å; R1350-W1366 VanDerWaalsContact NH2-NE1 3.11Å; W1366-R1368 PolarHBondContact O-N 2.97Å; W1366-R1368 VanDerWaalsContact O-N 3.08Å; W1366-L1393 HydrophobicContact CB-CD2 4.22Å; W1366-L1393 HydrophobicContact CD2-CD2 4.4Å; W1366-L1393 HydrophobicContact CE3-CD2 3.68Å; W1366-L1393 HydrophobicContact CZ3-CD2 4.5Å | ||
| 1367 | N | 89.7 | Confident | 92.5 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | trans | -37.9 | 113.8 | 168.9 | 179 | -6.4 | 0 | 0 | 0 | 112.6 | I1347 N1348 D1365 D1369 K1370 P1371 | I1347-N1367 HydrophobicContact CB-CB 3.98Å; I1347-N1367 WeakPolarHBondContact CD1-ND2 3.25Å; I1347-N1367 HydrophobicContact CG2-CB 4.32Å; N1348-N1367 VanDerWaalsContact OD1-CA 3.29Å; N1348-N1367 WeakPolarHBondContact OD1-CA 3.32Å; N1348-N1367 PolarHBondContact OD1-N 2.94Å; D1365-N1367 VanDerWaalsContact OD1-CB 3.25Å; D1365-N1367 WeakPolarHBondContact OD1-CB 3.32Å; D1365-N1367 PolarHBondContact OD1-N 2.84Å; N1367-D1369 PolarHBondContact O-N 3.05Å; N1367-D1369 VanDerWaalsContact O-N 3.09Å; N1367-D1369 PolarHBondContact OD1-N 2.93Å; N1367-D1369 VanDerWaalsContact OD1-N 3.08Å; N1367-K1370 CarbonylContact O-C 3.47Å; N1367-K1370 VanDerWaalsContact O-C 3.25Å; N1367-K1370 PolarHBondContact O-N 3.09Å; N1367-P1371 WeakPolarHBondContact O-CA 3.32Å; N1367-P1371 WeakPolarHBondContact O-CD 3.38Å | ||
| 1368 | R | 84 | Confident | 92.9 | Very high | 212 Ų | 212 | 39.9 Ų | 39.9 | 80% | 0.8 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.3 | -174.6 | -66.5 | -175.3 | 178.7 | -175 | 1.7 | 113.9 | W1366 | W1366-R1368 PolarHBondContact O-N 2.97Å; W1366-R1368 VanDerWaalsContact O-N 3.08Å |
| 1369 | D | 87.6 | Confident | 93.1 | Very high | 144 Ų | 144 | 38.3 Ų | 38.3 | 77% | 0.77 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -34.1 | 177.9 | -78.3 | -6.7 | 0 | 0 | 0 | 112.9 | N1367 | N1367-D1369 PolarHBondContact O-N 3.05Å; N1367-D1369 VanDerWaalsContact O-N 3.09Å; N1367-D1369 PolarHBondContact OD1-N 2.93Å; N1367-D1369 VanDerWaalsContact OD1-N 3.08Å |
| 1370 | K | 89.9 | Confident | 93.2 | Very high | 155 Ų | 155 | 36.6 Ų | 36.6 | 67% | 0.674 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -150.2 | 62.6 | -169.1 | -64.7 | 178.4 | -170.9 | 150 | 0 | 111.7 | N1367 V1372 | N1367-K1370 CarbonylContact O-C 3.47Å; N1367-K1370 VanDerWaalsContact O-C 3.25Å; N1367-K1370 PolarHBondContact O-N 3.09Å; K1370-V1372 PolarHBondContact O-N 2.92Å |
| 1371 | P | 94.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | trans | -65.4 | 137 | -179.3 | 27.2 | -33.4 | 0 | 0 | 0 | 109.9 | D1365 N1367 I1391 A1392 | D1365-P1371 WeakPolarHBondContact O-CA 3.32Å; N1367-P1371 WeakPolarHBondContact O-CA 3.32Å; N1367-P1371 WeakPolarHBondContact O-CD 3.38Å; P1371-I1391 HydrophobicContact CB-CG2 4.38Å; P1371-I1391 HydrophobicContact CG-CG2 4.19Å; P1371-I1391 WeakPolarHBondContact CG-O 3.05Å; P1371-I1391 WeakPolarHBondContact O-CG2 3Å; P1371-A1392 WeakPolarHBondContact CB-O 3.36Å | ||
| 1372 | V | 96.3 | Very high | 93 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.1 | -171.5 | 57 | 0 | 0 | 0 | 0 | 111.7 | D1365 K1370 N1385 V1387 T1388 | D1365-V1372 HydrophobicContact CB-CG1 3.83Å; D1365-V1372 PolarHBondContact N-O 2.88Å; D1365-V1372 PolarHBondContact O-N 2.9Å; K1370-V1372 PolarHBondContact O-N 2.92Å; V1372-N1385 HydrophobicContact CG2-CB 3.82Å; V1372-V1387 WeakPolarHBondContact CA-O 3.25Å; V1372-T1388 HydrophobicContact CB-CG2 4.43Å; V1372-T1388 HydrophobicContact CG2-CG2 3.85Å |
| 1373 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.6 | 154.7 | -67.2 | 163.8 | 0 | 0 | 0 | 106.1 | Y1363 Y1386 V1387 I1391 P1394 L1397 I1406 W1408 | Y1363-I1373 CarbonylContact O-C 3.41Å; Y1363-I1373 WeakPolarHBondContact O-CA 3.12Å; I1373-Y1386 CarbonylContact O-C 3.6Å; I1373-Y1386 VanDerWaalsContact O-CA 3.26Å; I1373-Y1386 WeakPolarHBondContact O-CA 3.47Å; I1373-Y1386 WeakPolarHBondContact O-CB 3.17Å; I1373-Y1386 PolarHBondContact O-N 3.07Å; I1373-V1387 HydrophobicContact CB-CB 4.22Å; I1373-V1387 PolarHBondContact N-O 2.8Å; I1373-V1387 PolarHBondContact O-N 2.81Å; I1373-I1391 HydrophobicContact CB-CD1 4.45Å; I1373-I1391 HydrophobicContact CD1-CD1 3.7Å; I1373-I1391 HydrophobicContact CG1-CD1 3.7Å; I1373-P1394 HydrophobicContact CD1-CB 4.25Å; I1373-P1394 HydrophobicContact CG1-CB 4.15Å; I1373-L1397 HydrophobicContact CD1-CD2 3.67Å; I1373-L1397 HydrophobicContact CG1-CD2 3.91Å; I1373-L1397 HydrophobicContact CG2-CD1 4.35Å; I1373-L1397 HydrophobicContact CG2-CD2 4.48Å; I1373-I1406 HydrophobicContact CG2-CD1 4.32Å; I1373-W1408 HydrophobicContact CD1-CB 3.71Å; I1373-W1408 HydrophobicContact CD1-CD2 3.49Å; I1373-W1408 VanDerWaalsContact CD1-CD2 3.49Å; I1373-W1408 HydrophobicContact CD1-CE3 3.95Å; I1373-W1408 HydrophobicContact CD1-CG 3.39Å |
| 1374 | G | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 168.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1362 Y1363 E1384 | Y1362-G1374 WeakPolarHBondContact CA-O 3.29Å; Y1363-G1374 PolarHBondContact N-O 2.71Å; Y1363-G1374 PolarHBondContact O-N 2.9Å; G1374-E1384 WeakPolarHBondContact CA-O 3.08Å |
| 1375 | R | 95.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.1 | 167.9 | 73.9 | 178.4 | -172.4 | -169.7 | -15.4 | 112 | K1360 L1361 Y1362 R1383 E1384 Y1386 T1421 | K1360-R1375 HydrophobicContact CD-CB 4.47Å; K1360-R1375 HydrophobicContact CD-CG 4.02Å; L1361-R1375 CarbonylContact O-C 3.6Å; L1361-R1375 VanDerWaalsContact O-CA 3.26Å; L1361-R1375 WeakPolarHBondContact O-CA 3.14Å; Y1362-R1375 HydrophobicContact CD1-CB 3.48Å; Y1362-R1375 VanDerWaalsContact CD1-CB 3.48Å; Y1362-R1375 HydrophobicContact CD1-CG 4.39Å; Y1362-R1375 HydrophobicContact CD2-CB 4.35Å; Y1362-R1375 HydrophobicContact CE1-CB 3.6Å; Y1362-R1375 HydrophobicContact CE1-CG 4.05Å; Y1362-R1375 HydrophobicContact CE2-CB 4.45Å; Y1362-R1375 HydrophobicContact CG-CB 3.88Å; Y1362-R1375 VanDerWaalsContact CZ-CD 3.47Å; Y1362-R1375 WeakPolarHBondContact OH-CD 3.48Å; Y1362-R1375 PolarHBondContact OH-NH1 3.49Å; R1375-R1383 CarbonylContact O-C 3.49Å; R1375-R1383 VanDerWaalsContact O-CA 3.27Å; R1375-R1383 WeakPolarHBondContact O-CA 3.48Å; R1375-E1384 HydrophobicContact CG-CG 3.53Å; R1375-E1384 IonicContact CZ-OE1 3.36Å; R1375-E1384 IonicContact CZ-OE2 2.65Å; R1375-E1384 PolarHBondContact N-O 2.87Å; R1375-E1384 IonicContact NE-OE1 2.72Å; R1375-E1384 PolarHBondContact NE-OE1 2.04Å; R1375-E1384 IonicContact NE-OE2 2.81Å; R1375-E1384 PolarHBondContact NE-OE2 2.78Å; R1375-E1384 VanDerWaalsContact NH2-CD 3.35Å; R1375-E1384 IonicContact NH2-OE1 3.12Å; R1375-E1384 PolarHBondContact NH2-OE1 2.78Å; R1375-E1384 IonicContact NH2-OE2 2.96Å; R1375-E1384 PolarHBondContact NH2-OE2 2.93Å; R1375-E1384 VanDerWaalsContact NH2-OE2 3.12Å; R1375-E1384 PolarHBondContact O-N 3.45Å; R1375-Y1386 VanDerWaalsContact CD-CD2 3.47Å; R1375-Y1386 HydrophobicContact CG-CD2 3.96Å; R1375-Y1386 HydrophobicContact CG-CG 4.32Å; R1375-T1421 PolarHBondContact NH1-O 2.87Å |
| 1376 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 168.6 | 178 | 57.1 | 152.8 | 0 | 0 | 0 | 109.2 | I1341 I1342 K1360 L1361 Y1363 R1383 | I1341-L1376 HydrophobicContact CD1-CD1 3.86Å; I1342-L1376 HydrophobicContact CD1-CD1 3.98Å; I1342-L1376 HydrophobicContact CD1-CD2 3.87Å; I1342-L1376 HydrophobicContact CD1-CG 4.5Å; I1342-L1376 HydrophobicContact CG1-CD1 4.36Å; K1360-L1376 CarbonylContact C-O 3.58Å; K1360-L1376 WeakPolarHBondContact CA-O 3.38Å; K1360-L1376 WeakPolarHBondContact CB-O 3.48Å; K1360-L1376 WeakPolarHBondContact CG-O 3.38Å; L1361-L1376 HydrophobicContact CB-CD2 4.11Å; L1361-L1376 HydrophobicContact CB-CG 4.08Å; L1361-L1376 HydrophobicContact CD2-CD2 4.35Å; L1361-L1376 HydrophobicContact CG-CD2 4.37Å; L1361-L1376 PolarHBondContact N-O 2.86Å; L1361-L1376 WeakPolarHBondContact O-CD2 3.35Å; L1361-L1376 PolarHBondContact O-N 3.5Å; Y1363-L1376 HydrophobicContact CD1-CD2 3.49Å; Y1363-L1376 VanDerWaalsContact CD1-CD2 3.49Å; Y1363-L1376 HydrophobicContact CE1-CD2 3.74Å; L1376-R1383 HydrophobicContact CB-CB 4.21Å |
| 1377 | N | 93.2 | Very high | 92.7 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 160.3 | 165.5 | -55 | -27.9 | 0 | 0 | 0 | 109.4 | K1360 D1379 G1380 T1381 | K1360-N1377 WeakPolarHBondContact CE-OD1 3.34Å; N1377-D1379 WeakPolarHBondContact CB-OD1 3.37Å; N1377-D1379 PolarHBondContact O-N 3.45Å; N1377-G1380 PolarHBondContact O-N 2.03Å; N1377-T1381 VanDerWaalsContact CB-O 3.31Å; N1377-T1381 WeakPolarHBondContact CB-O 3.31Å; N1377-T1381 VanDerWaalsContact CG-O 3.3Å; N1377-T1381 PolarHBondContact N-O 2.05Å; N1377-T1381 PolarHBondContact ND2-O 2.9Å; N1377-T1381 PolarHBondContact ND2-OG1 3.13Å |
| 1378 | L | 92.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -9.4 | 179.1 | -63.8 | -161.6 | 0 | 0 | 0 | 115.5 | Y1319 L1354 R1359 L1361 V1509 P1510 | Y1319-L1378 WeakPolarHBondContact OH-CB 3.05Å; Y1319-L1378 PolarHBondContact OH-O 3.31Å; L1354-L1378 HydrophobicContact CD1-CD1 4.29Å; L1354-L1378 HydrophobicContact CD1-CD2 3.41Å; L1354-L1378 VanDerWaalsContact CD1-CD2 3.41Å; R1359-L1378 HydrophobicContact CB-CD1 4.42Å; R1359-L1378 HydrophobicContact CB-CG 4.26Å; R1359-L1378 WeakPolarHBondContact O-CG 3.44Å; R1359-L1378 PolarHBondContact O-N 2.85Å; L1361-L1378 HydrophobicContact CB-CD2 4.24Å; L1378-V1509 HydrophobicContact CB-CB 4.5Å; L1378-P1510 HydrophobicContact CD1-CG 3.9Å |
| 1379 | D | 91.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 12.8 | -176 | 76.3 | -12.7 | 0 | 0 | 0 | 115 | N1377 T1381 V1509 R1517 L1519 | N1377-D1379 WeakPolarHBondContact CB-OD1 3.37Å; N1377-D1379 PolarHBondContact O-N 3.45Å; D1379-T1381 VanDerWaalsContact C-N 3.26Å; D1379-T1381 PolarHBondContact O-N 2.87Å; D1379-T1381 VanDerWaalsContact OD1-CB 3.27Å; D1379-T1381 WeakPolarHBondContact OD1-CB 3.08Å; D1379-T1381 WeakPolarHBondContact OD1-CG2 3.49Å; D1379-T1381 PolarHBondContact OD1-N 3.42Å; D1379-T1381 PolarHBondContact OD1-OG1 3.18Å; D1379-T1381 PolarHBondContact OD2-OG1 2.89Å; D1379-V1509 HydrophobicContact CB-CG2 3.55Å; D1379-R1517 WeakPolarHBondContact OD2-CD 3.07Å; D1379-R1517 IonicContact OD2-CZ 3.18Å; D1379-R1517 IonicContact OD2-NE 2.73Å; D1379-R1517 IonicContact OD2-NH1 2.76Å; D1379-R1517 PolarHBondContact OD2-NH1 2.84Å; D1379-L1519 HydrophobicContact CB-CD2 4.29Å |
| 1380 | G | 91.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 86.9 | -21.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1377 | N1377-G1380 PolarHBondContact O-N 2.03Š|
| 1381 | T | 92.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | trans | -84.6 | 167.1 | -172 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | N1377 D1379 R1383 | N1377-T1381 VanDerWaalsContact CB-O 3.31Å; N1377-T1381 WeakPolarHBondContact CB-O 3.31Å; N1377-T1381 VanDerWaalsContact CG-O 3.3Å; N1377-T1381 PolarHBondContact N-O 2.05Å; N1377-T1381 PolarHBondContact ND2-O 2.9Å; N1377-T1381 PolarHBondContact ND2-OG1 3.13Å; D1379-T1381 VanDerWaalsContact C-N 3.26Å; D1379-T1381 PolarHBondContact O-N 2.87Å; D1379-T1381 VanDerWaalsContact OD1-CB 3.27Å; D1379-T1381 WeakPolarHBondContact OD1-CB 3.08Å; D1379-T1381 WeakPolarHBondContact OD1-CG2 3.49Å; D1379-T1381 PolarHBondContact OD1-N 3.42Å; D1379-T1381 PolarHBondContact OD1-OG1 3.18Å; D1379-T1381 PolarHBondContact OD2-OG1 2.89Å; T1381-R1383 VanDerWaalsContact C-N 3.27Å; T1381-R1383 PolarHBondContact O-N 2.75Å | ||
| 1382 | G | 90.4 | Very high | 93.4 | Very high | 44 Ų | 44 | 40 Ų | 40 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 65.9 | 28.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1383 | R | 93.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 41 Ų | 41 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | trans | -60.5 | 128.3 | 175.6 | -171.1 | -179.5 | 179.6 | -158.6 | 1.4 | 111 | I1342 E1344 G1345 L1346 Y1363 R1375 L1376 T1381 | I1342-R1383 HydrophobicContact CD1-CG 4.5Å; E1344-R1383 PolarHBondContact O-NH1 3.09Å; G1345-R1383 PolarHBondContact O-NH2 3.35Å; L1346-R1383 VanDerWaalsContact CD2-NH2 3.31Å; Y1363-R1383 HydrophobicContact CE1-CG 4.46Å; Y1363-R1383 PolarHBondContact OH-NE 2.79Å; Y1363-R1383 PolarHBondContact OH-NH2 3.38Å; Y1363-R1383 VanDerWaalsContact OH-NH2 3.15Å; R1375-R1383 CarbonylContact O-C 3.49Å; R1375-R1383 VanDerWaalsContact O-CA 3.27Å; R1375-R1383 WeakPolarHBondContact O-CA 3.48Å; L1376-R1383 HydrophobicContact CB-CB 4.21Å; T1381-R1383 VanDerWaalsContact C-N 3.27Å; T1381-R1383 PolarHBondContact O-N 2.75Å | ||
| 1384 | E | 93 | Very high | 93.2 | Very high | 55 Ų | 55 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.3 | 174.3 | 70.4 | -167.6 | -98.6 | 0 | 0 | 110 | K1360 G1374 R1375 Y1386 H1423 | K1360-E1384 IonicContact NZ-OE2 3.38Å; K1360-E1384 PolarHBondContact NZ-OE2 2.92Å; G1374-E1384 WeakPolarHBondContact CA-O 3.08Å; R1375-E1384 HydrophobicContact CG-CG 3.53Å; R1375-E1384 IonicContact CZ-OE1 3.36Å; R1375-E1384 IonicContact CZ-OE2 2.65Å; R1375-E1384 PolarHBondContact N-O 2.87Å; R1375-E1384 IonicContact NE-OE1 2.72Å; R1375-E1384 PolarHBondContact NE-OE1 2.04Å; R1375-E1384 IonicContact NE-OE2 2.81Å; R1375-E1384 PolarHBondContact NE-OE2 2.78Å; R1375-E1384 VanDerWaalsContact NH2-CD 3.35Å; R1375-E1384 IonicContact NH2-OE1 3.12Å; R1375-E1384 PolarHBondContact NH2-OE1 2.78Å; R1375-E1384 IonicContact NH2-OE2 2.96Å; R1375-E1384 PolarHBondContact NH2-OE2 2.93Å; R1375-E1384 VanDerWaalsContact NH2-OE2 3.12Å; R1375-E1384 PolarHBondContact O-N 3.45Å; E1384-Y1386 PolarHBondContact O-N 3.32Å; E1384-H1423 IonicContact OE1-CE1 3.68Å; E1384-H1423 IonicContact OE1-NE2 2.92Å; E1384-H1423 PolarHBondContact OE1-NE2 3.29Å |
| 1385 | N | 92.7 | Very high | 93 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 55% | 0.551 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.1 | 168 | -68.6 | 11.6 | 0 | 0 | 0 | 107.7 | V1372 T1388 | V1372-N1385 HydrophobicContact CG2-CB 3.82Å; N1385-T1388 HydrophobicContact CB-CG2 3.71Å |
| 1386 | Y | 95.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 40 Ų | 40 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -44.9 | -164.8 | -166.1 | -104.8 | 0 | 0 | 0 | 113 | Y1362 I1373 R1375 E1384 I1406 I1419 G1420 T1421 H1423 | Y1362-Y1386 HydrophobicContact CD1-CD1 4.24Å; Y1362-Y1386 HydrophobicContact CD1-CG 4.5Å; Y1362-Y1386 AromaticContact CE1-CD1 3.76Å; Y1362-Y1386 HydrophobicContact CE1-CD1 3.76Å; Y1362-Y1386 HydrophobicContact CE1-CD2 4.29Å; Y1362-Y1386 AromaticContact CE1-CE1 3.89Å; Y1362-Y1386 HydrophobicContact CE1-CE1 3.89Å; Y1362-Y1386 HydrophobicContact CE1-CE2 4.4Å; Y1362-Y1386 HydrophobicContact CE1-CG 4.01Å; I1373-Y1386 CarbonylContact O-C 3.6Å; I1373-Y1386 VanDerWaalsContact O-CA 3.26Å; I1373-Y1386 WeakPolarHBondContact O-CA 3.47Å; I1373-Y1386 WeakPolarHBondContact O-CB 3.17Å; I1373-Y1386 PolarHBondContact O-N 3.07Å; R1375-Y1386 VanDerWaalsContact CD-CD2 3.47Å; R1375-Y1386 HydrophobicContact CG-CD2 3.96Å; R1375-Y1386 HydrophobicContact CG-CG 4.32Å; E1384-Y1386 PolarHBondContact O-N 3.32Å; Y1386-I1406 HydrophobicContact CD1-CG2 4.14Å; Y1386-I1406 HydrophobicContact CE1-CG2 3.62Å; Y1386-I1419 HydrophobicContact CE1-CG2 3.73Å; Y1386-G1420 PolarHBondContact OH-O 2.04Å; Y1386-T1421 WeakPolarHBondContact OH-CA 3.32Å; Y1386-T1421 PolarHBondContact OH-O 2.8Å; Y1386-H1423 AromaticContact CD2-CE1 3.3Å; Y1386-H1423 WeakPolarHBondContact CD2-CE1 3.24Å; Y1386-H1423 AromaticContact CD2-ND1 3.99Å; Y1386-H1423 AromaticContact CD2-NE2 3.42Å; Y1386-H1423 WeakPolarHBondContact CD2-NE2 3.07Å; Y1386-H1423 AromaticContact CE2-CD2 3.53Å; Y1386-H1423 AromaticContact CE2-CE1 3.38Å; Y1386-H1423 WeakPolarHBondContact CE2-CE1 3.47Å; Y1386-H1423 AromaticContact CE2-CG 3.81Å; Y1386-H1423 AromaticContact CE2-ND1 3.74Å; Y1386-H1423 AromaticContact CE2-NE2 3.25Å; Y1386-H1423 WeakPolarHBondContact CE2-NE2 3.46Å; Y1386-H1423 PolarHBondContact OH-N 2.73Å; Y1386-H1423 VanDerWaalsContact OH-N 3.11Å |
| 1387 | V | 95.8 | Very high | 93 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.8 | 169 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | V1372 I1373 I1391 W1408 I1419 | V1372-V1387 WeakPolarHBondContact CA-O 3.25Å; I1373-V1387 HydrophobicContact CB-CB 4.22Å; I1373-V1387 PolarHBondContact N-O 2.8Å; I1373-V1387 PolarHBondContact O-N 2.81Å; V1387-I1391 HydrophobicContact CB-CD1 4.36Å; V1387-I1391 HydrophobicContact CG1-CD1 4.15Å; V1387-W1408 HydrophobicContact CG1-CH2 4.39Å; V1387-W1408 HydrophobicContact CG1-CZ2 4.16Å; V1387-W1408 HydrophobicContact CG2-CH2 4.12Å; V1387-W1408 HydrophobicContact CG2-CZ3 4.39Å; V1387-I1419 HydrophobicContact CG2-CG2 4.4Å |
| 1388 | T | 93.7 | Very high | 93.1 | Very high | 90 Ų | 90 | 38.8 Ų | 38.8 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | trans | -137.6 | 21.3 | -175.1 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | V1372 N1385 | V1372-T1388 HydrophobicContact CB-CG2 4.43Å; V1372-T1388 HydrophobicContact CG2-CG2 3.85Å; N1385-T1388 HydrophobicContact CB-CG2 3.71Å | ||
| 1389 | S | 92.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -147.4 | 148.7 | -176.8 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | I1391 R1426 | S1389-I1391 PolarHBondContact O-N 3.05Å; S1389-R1426 PolarHBondContact O-NH1 2.99Å |
| 1390 | E | 90.7 | Very high | 93.3 | Very high | 131 Ų | 131 | 38.1 Ų | 38.1 | 61% | 0.612 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 46.3 | 48.9 | -173.5 | -66.8 | -174.1 | -125.6 | 0 | 0 | 111.9 | R1415 R1426 | E1390-R1415 IonicContact OE2-NH1 3.26Å; E1390-R1415 PolarHBondContact OE2-NH1 3.13Å; E1390-R1415 VanDerWaalsContact OE2-NH1 3.12Å; E1390-R1426 PolarHBondContact O-NH2 3.22Å |
| 1391 | I | 93.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | trans | -144.9 | 142.9 | -176.4 | -166.6 | 170.8 | 0 | 0 | 0 | 107.7 | P1371 I1373 V1387 S1389 P1394 D1410 | P1371-I1391 HydrophobicContact CB-CG2 4.38Å; P1371-I1391 HydrophobicContact CG-CG2 4.19Å; P1371-I1391 WeakPolarHBondContact CG-O 3.05Å; P1371-I1391 WeakPolarHBondContact O-CG2 3Å; I1373-I1391 HydrophobicContact CB-CD1 4.45Å; I1373-I1391 HydrophobicContact CD1-CD1 3.7Å; I1373-I1391 HydrophobicContact CG1-CD1 3.7Å; V1387-I1391 HydrophobicContact CB-CD1 4.36Å; V1387-I1391 HydrophobicContact CG1-CD1 4.15Å; S1389-I1391 PolarHBondContact O-N 3.05Å; I1391-P1394 HydrophobicContact CD1-CB 3.94Å; I1391-P1394 HydrophobicContact CD1-CG 3.85Å; I1391-P1394 HydrophobicContact CG1-CB 4.12Å; I1391-P1394 HydrophobicContact CG1-CG 3.96Å; I1391-D1410 WeakPolarHBondContact CA-OD2 3.44Å; I1391-D1410 WeakPolarHBondContact CG1-OD2 3.43Å | ||
| 1392 | A | 91.6 | Very high | 93 | Very high | 32 Ų | 32 | 45 Ų | 45 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -141.4 | -62.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1371 D1410 T1413 | P1371-A1392 WeakPolarHBondContact CB-O 3.36Å; A1392-D1410 PolarHBondContact N-OD2 2.84Å; A1392-T1413 HydrophobicContact CB-CG2 3.97Å |
| 1393 | L | 93 | Very high | 93 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | trans | -132.4 | 71.3 | 177.6 | -61.8 | 173.9 | 0 | 0 | 0 | 110.4 | W1366 N1395 D1410 A1411 Y1435 | W1366-L1393 HydrophobicContact CB-CD2 4.22Å; W1366-L1393 HydrophobicContact CD2-CD2 4.4Å; W1366-L1393 HydrophobicContact CE3-CD2 3.68Å; W1366-L1393 HydrophobicContact CZ3-CD2 4.5Å; L1393-N1395 PolarHBondContact O-N 2.84Å; L1393-D1410 PolarHBondContact N-OD1 2.82Å; L1393-D1410 WeakPolarHBondContact O-CA 3.26Å; L1393-A1411 HydrophobicContact CB-CB 4.26Å; L1393-A1411 PolarHBondContact O-N 3.44Å; L1393-Y1435 HydrophobicContact CD1-CE2 4.47Å | ||
| 1394 | P | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 88.1 | 179.3 | 29.1 | -35.4 | 0 | 0 | 0 | 111.3 | S1364 I1373 I1391 | S1364-P1394 WeakPolarHBondContact CB-O 3.43Å; S1364-P1394 PolarHBondContact OG-O 3.06Å; I1373-P1394 HydrophobicContact CD1-CB 4.25Å; I1373-P1394 HydrophobicContact CG1-CB 4.15Å; I1391-P1394 HydrophobicContact CD1-CB 3.94Å; I1391-P1394 HydrophobicContact CD1-CG 3.85Å; I1391-P1394 HydrophobicContact CG1-CB 4.12Å; I1391-P1394 HydrophobicContact CG1-CG 3.96Å |
| 1395 | N | 91.6 | Very high | 93 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -37.4 | -170.7 | -75.4 | -19.7 | 0 | 0 | 0 | 113.7 | R1350 A1351 L1393 A1409 A1411 P1436 F1437 | R1350-N1395 PolarHBondContact NH1-OD1 2.03Å; A1351-N1395 VanDerWaalsContact CB-O 3.28Å; A1351-N1395 WeakPolarHBondContact CB-O 3.26Å; L1393-N1395 PolarHBondContact O-N 2.84Å; N1395-A1409 PolarHBondContact N-O 3.48Å; N1395-A1411 WeakPolarHBondContact ND2-CB 3.01Å; N1395-P1436 WeakPolarHBondContact CB-O 3.09Å; N1395-P1436 PolarHBondContact ND2-O 2.04Å; N1395-F1437 CarbonylContact C-O 3.58Å; N1395-F1437 VanDerWaalsContact C-O 3.26Å |
| 1396 | G | 93.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | W1408 A1409 F1437 | G1396-W1408 CarbonylContact O-C 3.47Å; G1396-W1408 WeakPolarHBondContact O-CA 3.46Å; G1396-W1408 WeakPolarHBondContact O-CB 3.34Å; G1396-A1409 PolarHBondContact N-O 3.49Å; G1396-A1409 PolarHBondContact O-N 3.34Å; G1396-F1437 WeakPolarHBondContact CA-O 3.13Å; G1396-F1437 PolarHBondContact N-O 2.89Å |
| 1397 | L | 96.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.8 | 178.8 | -64.5 | -171.8 | 0 | 0 | 0 | 111.3 | A1351 A1353 Y1363 I1373 I1406 W1408 | A1351-L1397 HydrophobicContact CB-CB 4.08Å; A1351-L1397 HydrophobicContact CB-CD1 4.46Å; A1351-L1397 HydrophobicContact CB-CG 3.89Å; A1353-L1397 HydrophobicContact CB-CB 3.81Å; Y1363-L1397 VanDerWaalsContact C-CD1 3.41Å; I1373-L1397 HydrophobicContact CD1-CD2 3.67Å; I1373-L1397 HydrophobicContact CG1-CD2 3.91Å; I1373-L1397 HydrophobicContact CG2-CD1 4.35Å; I1373-L1397 HydrophobicContact CG2-CD2 4.48Å; L1397-I1406 HydrophobicContact CD1-CD1 4.41Å; L1397-W1408 HydrophobicContact CD2-CB 3.4Å; L1397-W1408 VanDerWaalsContact CD2-CB 3.4Å; L1397-W1408 HydrophobicContact CD2-CG 4.48Å |
| 1398 | V | 96 | Very high | 93.3 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 142.8 | 169.4 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | C1407 L1439 V1441 F1447 | V1398-C1407 HydrophobicContact CG1-CB 4.23Å; V1398-C1407 PolarHBondContact N-O 3.26Å; V1398-C1407 PolarHBondContact O-N 2.84Å; V1398-L1439 HydrophobicContact CG1-CD2 3.91Å; V1398-L1439 HydrophobicContact CG1-CG 4.09Å; V1398-V1441 HydrophobicContact CG1-CB 4.29Å; V1398-V1441 HydrophobicContact CG1-CG1 4.5Å; V1398-V1441 HydrophobicContact CG2-CB 4.01Å; V1398-V1441 HydrophobicContact CG2-CG1 3.56Å; V1398-F1447 HydrophobicContact CG1-CD1 3.99Å; V1398-F1447 HydrophobicContact CG1-CE1 3.7Å |
| 1399 | V | 95.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.6 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | A1353 D1355 Y1362 T1401 I1406 | A1353-V1399 HydrophobicContact CB-CG2 4.01Å; D1355-V1399 HydrophobicContact CB-CG1 4.01Å; D1355-V1399 HydrophobicContact CB-CG2 4.38Å; Y1362-V1399 HydrophobicContact CD2-CG2 3.96Å; Y1362-V1399 HydrophobicContact CE2-CG2 4.34Å; V1399-T1401 PolarHBondContact O-N 2.92Å; V1399-I1406 HydrophobicContact CG2-CB 4.4Å; V1399-I1406 HydrophobicContact CG2-CD1 4.28Å; V1399-I1406 HydrophobicContact CG2-CG1 4.32Å |
| 1400 | L | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 92.9 | 170.7 | -56.8 | 176.9 | 0 | 0 | 0 | 108.8 | R1403 R1404 E1405 C1407 V1441 E1444 F1447 I1462 | L1400-R1403 HydrophobicContact CB-CB 3.99Å; L1400-R1403 HydrophobicContact CB-CG 4.45Å; L1400-R1403 PolarHBondContact O-N 3.14Å; L1400-R1404 VanDerWaalsContact O-CA 3.28Å; L1400-R1404 WeakPolarHBondContact O-CA 3.34Å; L1400-R1404 PolarHBondContact O-N 2.99Å; L1400-E1405 WeakPolarHBondContact CA-O 3.45Å; L1400-E1405 HydrophobicContact CB-CB 4.18Å; L1400-E1405 WeakPolarHBondContact CB-O 3.35Å; L1400-E1405 HydrophobicContact CD1-CB 3.91Å; L1400-E1405 HydrophobicContact CG-CB 4.46Å; L1400-E1405 PolarHBondContact N-O 3.21Å; L1400-E1405 PolarHBondContact O-N 3.48Å; L1400-C1407 WeakPolarHBondContact CD1-SG 3.49Å; L1400-V1441 HydrophobicContact CD2-CB 4.36Å; L1400-V1441 HydrophobicContact CD2-CG1 4.06Å; L1400-V1441 HydrophobicContact CD2-CG2 3.9Å; L1400-E1444 WeakPolarHBondContact CA-OE2 3.2Å; L1400-E1444 HydrophobicContact CB-CG 4.27Å; L1400-E1444 WeakPolarHBondContact CB-OE2 3.23Å; L1400-E1444 HydrophobicContact CD2-CB 4.14Å; L1400-E1444 HydrophobicContact CD2-CG 3.85Å; L1400-F1447 HydrophobicContact CD1-CZ 4.09Å; L1400-F1447 HydrophobicContact CD2-CE1 3.98Å; L1400-F1447 HydrophobicContact CD2-CZ 4.1Å; L1400-F1447 HydrophobicContact CG-CZ 4.48Å; L1400-I1462 HydrophobicContact CD1-CD1 3.71Å; L1400-I1462 HydrophobicContact CD1-CG1 4.24Å; L1400-I1462 HydrophobicContact CD2-CD1 3.68Å; L1400-I1462 HydrophobicContact CG-CD1 4.32Å |
| 1401 | T | 89.1 | Confident | 93.8 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 15% | 0.153 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -37.8 | -168 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | V1357 V1399 E1444 M1491 | V1357-T1401 HydrophobicContact CB-CG2 4.25Å; V1357-T1401 HydrophobicContact CG2-CG2 3.41Å; V1357-T1401 VanDerWaalsContact CG2-CG2 3.41Å; V1399-T1401 PolarHBondContact O-N 2.92Å; T1401-E1444 VanDerWaalsContact N-CD 3.26Å; T1401-E1444 PolarHBondContact N-OE1 3.16Å; T1401-E1444 PolarHBondContact N-OE2 3.34Å; T1401-M1491 HydrophobicContact CG2-CE 4.07Å |
| 1402 | R | 87.7 | Confident | 93.7 | Very high | 190 Ų | 190 | 29.1 Ų | 29.1 | 72% | 0.717 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -38.9 | 176.8 | -59.9 | 160.3 | 176.3 | 175 | -2.3 | 111.4 | N1443 E1444 | R1402-N1443 PolarHBondContact NH1-O 3.39Å; R1402-E1444 WeakPolarHBondContact CA-OE2 3.46Å; R1402-E1444 WeakPolarHBondContact CB-OE1 3.4Å; R1402-E1444 WeakPolarHBondContact CB-OE2 3.33Å; R1402-E1444 WeakPolarHBondContact CD-OE1 3.48Å; R1402-E1444 WeakPolarHBondContact CG-OE1 3.47Å; R1402-E1444 PolarHBondContact N-OE1 3.04Å; R1402-E1444 PolarHBondContact N-OE2 3.11Å |
| 1403 | R | 89.8 | Confident | 93.7 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.7 | 175.8 | -61.4 | -157.9 | 179.2 | -171.4 | -1.6 | 113.6 | L1400 E1405 E1444 I1462 Y1463 | L1400-R1403 HydrophobicContact CB-CB 3.99Å; L1400-R1403 HydrophobicContact CB-CG 4.45Å; L1400-R1403 PolarHBondContact O-N 3.14Å; R1403-E1405 HydrophobicContact CB-CB 4.38Å; R1403-E1405 HydrophobicContact CB-CG 4.09Å; R1403-E1405 WeakPolarHBondContact CB-OE2 3.29Å; R1403-E1405 WeakPolarHBondContact CD-OE2 3.06Å; R1403-E1444 PolarHBondContact N-OE2 2.96Å; R1403-I1462 PolarHBondContact NH1-O 3.2Å; R1403-Y1463 VanDerWaalsContact NH2-CZ 3.26Å; R1403-Y1463 PolarHBondContact NH2-OH 2.99Å |
| 1404 | R | 92.7 | Very high | 93.8 | Very high | 116 Ų | 116 | 31.7 Ų | 31.7 | 44% | 0.438 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 54.6 | -168.7 | -60.6 | -174.8 | 61 | 173.1 | -1.9 | 111.5 | D1358 L1400 G1420 T1421 | D1358-R1404 IonicContact OD1-CZ 3.42Å; D1358-R1404 IonicContact OD1-NE 3.52Å; D1358-R1404 IonicContact OD1-NH1 3.32Å; D1358-R1404 IonicContact OD1-NH2 2.66Å; D1358-R1404 PolarHBondContact OD1-NH2 2.83Å; D1358-R1404 IonicContact OD2-CZ 3.45Å; D1358-R1404 IonicContact OD2-NE 3.92Å; D1358-R1404 IonicContact OD2-NH2 3.95Å; D1358-R1404 PolarHBondContact OD2-NH2 2.87Å; L1400-R1404 VanDerWaalsContact O-CA 3.28Å; L1400-R1404 WeakPolarHBondContact O-CA 3.34Å; L1400-R1404 PolarHBondContact O-N 2.99Å; R1404-G1420 CarbonylContact O-C 3.53Å; R1404-G1420 WeakPolarHBondContact O-CA 3.44Å; R1404-T1421 PolarHBondContact O-N 3.3Å |
| 1405 | E | 95 | Very high | 93.8 | Very high | 35 Ų | 35 | 34.9 Ų | 34.9 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.9 | 175.3 | -66.1 | 173.5 | 135 | 0 | 0 | 108.8 | L1400 R1403 I1419 H1427 | L1400-E1405 WeakPolarHBondContact CA-O 3.45Å; L1400-E1405 HydrophobicContact CB-CB 4.18Å; L1400-E1405 WeakPolarHBondContact CB-O 3.35Å; L1400-E1405 HydrophobicContact CD1-CB 3.91Å; L1400-E1405 HydrophobicContact CG-CB 4.46Å; L1400-E1405 PolarHBondContact N-O 3.21Å; L1400-E1405 PolarHBondContact O-N 3.48Å; R1403-E1405 HydrophobicContact CB-CB 4.38Å; R1403-E1405 HydrophobicContact CB-CG 4.09Å; R1403-E1405 WeakPolarHBondContact CB-OE2 3.29Å; R1403-E1405 WeakPolarHBondContact CD-OE2 3.06Å; E1405-I1419 CarbonylContact C-O 3.58Å; E1405-I1419 WeakPolarHBondContact CA-O 3.45Å; E1405-H1427 IonicContact OE1-CE1 3.87Å; E1405-H1427 PolarHBondContact OE1-CE1 2.92Å |
| 1406 | I | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.5 | 162.9 | 179.3 | 165.8 | 0 | 0 | 0 | 108.7 | Y1362 I1373 Y1386 L1397 V1399 C1418 I1419 | Y1362-I1406 VanDerWaalsContact CB-CD1 3.43Å; Y1362-I1406 HydrophobicContact CD1-CD1 3.33Å; Y1362-I1406 HydrophobicContact CD1-CG1 4.48Å; Y1362-I1406 HydrophobicContact CD1-CG2 4.29Å; Y1362-I1406 HydrophobicContact CD2-CD1 4.19Å; Y1362-I1406 HydrophobicContact CE1-CB 4.43Å; Y1362-I1406 HydrophobicContact CE1-CD1 4.08Å; Y1362-I1406 HydrophobicContact CE1-CG2 3.98Å; Y1362-I1406 HydrophobicContact CG-CD1 3.4Å; Y1362-I1406 VanDerWaalsContact CG-CD1 3.4Å; I1373-I1406 HydrophobicContact CG2-CD1 4.32Å; Y1386-I1406 HydrophobicContact CD1-CG2 4.14Å; Y1386-I1406 HydrophobicContact CE1-CG2 3.62Å; L1397-I1406 HydrophobicContact CD1-CD1 4.41Å; V1399-I1406 HydrophobicContact CG2-CB 4.4Å; V1399-I1406 HydrophobicContact CG2-CD1 4.28Å; V1399-I1406 HydrophobicContact CG2-CG1 4.32Å; I1406-C1418 CarbonylContact O-C 3.54Å; I1406-C1418 WeakPolarHBondContact O-CA 3.36Å; I1406-I1419 HydrophobicContact CG2-CG2 3.75Å; I1406-I1419 PolarHBondContact N-O 2.82Å; I1406-I1419 PolarHBondContact O-N 2.94Å |
| 1407 | C | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.5 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | V1398 L1400 E1417 C1418 F1447 | V1398-C1407 HydrophobicContact CG1-CB 4.23Å; V1398-C1407 PolarHBondContact N-O 3.26Å; V1398-C1407 PolarHBondContact O-N 2.84Å; L1400-C1407 WeakPolarHBondContact CD1-SG 3.49Å; C1407-E1417 CarbonylContact C-O 3.58Å; C1407-E1417 WeakPolarHBondContact CA-O 3.22Å; C1407-E1417 WeakPolarHBondContact CB-O 3.41Å; C1407-C1418 HydrophobicContact CB-CB 4.1Å; C1407-C1418 WeakPolarHBondContact CB-SG 3.02Å; C1407-C1418 WeakPolarHBondContact SG-CB 3.25Å; C1407-C1418 CovalentContact SG-SG 2.03Å; C1407-C1418 PolarHBondContact SG-SG 3Å; C1407-F1447 HydrophobicContact CB-CE1 3.83Å; C1407-F1447 HydrophobicContact CB-CZ 3.9Å; C1407-F1447 VanDerWaalsContact SG-CZ 3.59Å |
| 1408 | W | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.3 | -176.9 | 68.5 | 97.5 | 0 | 0 | 0 | 112.3 | I1373 V1387 G1396 L1397 L1416 E1417 I1419 R1426 | I1373-W1408 HydrophobicContact CD1-CB 3.71Å; I1373-W1408 HydrophobicContact CD1-CD2 3.49Å; I1373-W1408 VanDerWaalsContact CD1-CD2 3.49Å; I1373-W1408 HydrophobicContact CD1-CE3 3.95Å; I1373-W1408 HydrophobicContact CD1-CG 3.39Å; V1387-W1408 HydrophobicContact CG1-CH2 4.39Å; V1387-W1408 HydrophobicContact CG1-CZ2 4.16Å; V1387-W1408 HydrophobicContact CG2-CH2 4.12Å; V1387-W1408 HydrophobicContact CG2-CZ3 4.39Å; G1396-W1408 CarbonylContact O-C 3.47Å; G1396-W1408 WeakPolarHBondContact O-CA 3.46Å; G1396-W1408 WeakPolarHBondContact O-CB 3.34Å; L1397-W1408 HydrophobicContact CD2-CB 3.4Å; L1397-W1408 VanDerWaalsContact CD2-CB 3.4Å; L1397-W1408 HydrophobicContact CD2-CG 4.48Å; W1408-L1416 WeakPolarHBondContact O-CA 3.24Å; W1408-E1417 HydrophobicContact CD2-CB 4.29Å; W1408-E1417 HydrophobicContact CH2-CB 3.99Å; W1408-E1417 HydrophobicContact CZ2-CB 3.73Å; W1408-E1417 HydrophobicContact CZ3-CB 4.37Å; W1408-E1417 PolarHBondContact N-O 3.31Å; W1408-E1417 PolarHBondContact O-N 3.46Å; W1408-I1419 HydrophobicContact CH2-CB 4.34Å; W1408-I1419 HydrophobicContact CH2-CG2 4.27Å; W1408-I1419 HydrophobicContact CZ3-CB 4.06Å; W1408-I1419 HydrophobicContact CZ3-CG2 3.71Å; W1408-R1426 HydrophobicContact CH2-CG 4.17Å |
| 1409 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | N1395 G1396 L1416 P1436 L1439 | N1395-A1409 PolarHBondContact N-O 3.48Å; G1396-A1409 PolarHBondContact N-O 3.49Å; G1396-A1409 PolarHBondContact O-N 3.34Å; A1409-L1416 HydrophobicContact CB-CD1 4.27Å; A1409-P1436 HydrophobicContact CB-CB 3.71Å; A1409-P1436 HydrophobicContact CB-CG 3.82Å; A1409-L1439 HydrophobicContact CB-CB 4.38Å; A1409-L1439 HydrophobicContact CB-CD2 4.16Å |
| 1410 | D | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 114.9 | -176.4 | -175.4 | -33 | 0 | 0 | 0 | 110.3 | I1391 A1392 L1393 G1412 T1413 Q1414 R1415 | I1391-D1410 WeakPolarHBondContact CA-OD2 3.44Å; I1391-D1410 WeakPolarHBondContact CG1-OD2 3.43Å; A1392-D1410 PolarHBondContact N-OD2 2.84Å; L1393-D1410 PolarHBondContact N-OD1 2.82Å; L1393-D1410 WeakPolarHBondContact O-CA 3.26Å; D1410-G1412 VanDerWaalsContact C-N 3.34Å; D1410-G1412 WeakPolarHBondContact OD1-CA 3.28Å; D1410-G1412 PolarHBondContact OD1-N 2.87Å; D1410-T1413 WeakPolarHBondContact CB-OG1 3.14Å; D1410-T1413 VanDerWaalsContact CG-OG1 3.26Å; D1410-T1413 PolarHBondContact OD1-N 3.01Å; D1410-T1413 PolarHBondContact OD2-OG1 3.36Å; D1410-Q1414 VanDerWaalsContact O-CA 3.23Å; D1410-Q1414 WeakPolarHBondContact O-CA 3.32Å; D1410-Q1414 PolarHBondContact O-N 3.13Å; D1410-R1415 PolarHBondContact N-O 3.05Å; D1410-R1415 PolarHBondContact O-N 2.85Å |
| 1411 | A | 93.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -17.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1393 N1395 Y1435 P1436 | L1393-A1411 HydrophobicContact CB-CB 4.26Å; L1393-A1411 PolarHBondContact O-N 3.44Å; N1395-A1411 WeakPolarHBondContact ND2-CB 3.01Å; A1411-Y1435 HydrophobicContact CB-CD1 4.07Å; A1411-Y1435 HydrophobicContact CB-CD2 3.93Å; A1411-Y1435 HydrophobicContact CB-CE1 4.18Å; A1411-Y1435 HydrophobicContact CB-CE2 4.05Å; A1411-Y1435 HydrophobicContact CB-CG 3.94Å; A1411-P1436 HydrophobicContact CB-CG 4.12Å |
| 1412 | G | 90.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 38 Ų | 38 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -26.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1410 | D1410-G1412 VanDerWaalsContact C-N 3.34Å; D1410-G1412 WeakPolarHBondContact OD1-CA 3.28Å; D1410-G1412 PolarHBondContact OD1-N 2.87Å |
| 1413 | T | 93.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 33 Ų | 33 | 23% | 0.233 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -9.3 | 169 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | A1392 D1410 | A1392-T1413 HydrophobicContact CB-CG2 3.97Å; D1410-T1413 WeakPolarHBondContact CB-OG1 3.14Å; D1410-T1413 VanDerWaalsContact CG-OG1 3.26Å; D1410-T1413 PolarHBondContact OD1-N 3.01Å; D1410-T1413 PolarHBondContact OD2-OG1 3.36Å |
| 1414 | Q | 93.5 | Very high | 94 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 46.8 | -173.4 | -59.6 | -166.6 | -45.9 | 0 | 0 | 113.3 | D1410 A1431 P1432 V1433 G1434 | D1410-Q1414 VanDerWaalsContact O-CA 3.23Å; D1410-Q1414 WeakPolarHBondContact O-CA 3.32Å; D1410-Q1414 PolarHBondContact O-N 3.13Å; Q1414-A1431 WeakPolarHBondContact O-CB 3.4Å; Q1414-P1432 HydrophobicContact CB-CB 4.29Å; Q1414-P1432 WeakPolarHBondContact O-CA 3.42Å; Q1414-V1433 VanDerWaalsContact C-CG2 3.41Å; Q1414-V1433 PolarHBondContact O-N 3.45Å; Q1414-G1434 PolarHBondContact NE2-O 3.2Å |
| 1415 | R | 95.5 | Very high | 93.8 | Very high | 68 Ų | 68 | 31.7 Ų | 31.7 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145 | 178.6 | -61.3 | 168.8 | -173.5 | -179.5 | 3.1 | 113.1 | E1390 D1410 E1417 I1428 A1431 | E1390-R1415 IonicContact OE2-NH1 3.26Å; E1390-R1415 PolarHBondContact OE2-NH1 3.13Å; E1390-R1415 VanDerWaalsContact OE2-NH1 3.12Å; D1410-R1415 PolarHBondContact N-O 3.05Å; D1410-R1415 PolarHBondContact O-N 2.85Å; R1415-E1417 HydrophobicContact CB-CG 3.73Å; R1415-E1417 WeakPolarHBondContact CD-OE2 3.47Å; R1415-E1417 IonicContact CZ-OE2 2.7Å; R1415-E1417 IonicContact NE-OE2 3.79Å; R1415-E1417 IonicContact NH1-OE2 3.79Å; R1415-E1417 PolarHBondContact NH1-OE2 2.89Å; R1415-E1417 VanDerWaalsContact NH1-OE2 3.14Å; R1415-I1428 HydrophobicContact CG-CD1 4.49Å; R1415-A1431 HydrophobicContact CG-CB 4.04Å |
| 1416 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.4 | 154.5 | 178 | 67.4 | 0 | 0 | 0 | 107.7 | W1408 A1409 I1429 Y1430 V1433 L1439 F1447 V1460 | W1408-L1416 WeakPolarHBondContact O-CA 3.24Å; A1409-L1416 HydrophobicContact CB-CD1 4.27Å; L1416-I1429 HydrophobicContact CB-CB 4.47Å; L1416-I1429 HydrophobicContact CD2-CB 3.97Å; L1416-I1429 HydrophobicContact CD2-CG2 3.85Å; L1416-I1429 HydrophobicContact CG-CB 4Å; L1416-I1429 HydrophobicContact CG-CG1 4.44Å; L1416-I1429 HydrophobicContact CG-CG2 4.44Å; L1416-I1429 PolarHBondContact O-N 2.71Å; L1416-Y1430 PolarHBondContact N-O 3.31Å; L1416-Y1430 PolarHBondContact O-N 3.48Å; L1416-V1433 HydrophobicContact CB-CG1 3.79Å; L1416-L1439 HydrophobicContact CD1-CD1 3.81Å; L1416-L1439 HydrophobicContact CD1-CD2 3.71Å; L1416-L1439 HydrophobicContact CD1-CG 4.45Å; L1416-F1447 HydrophobicContact CD2-CB 4.06Å; L1416-F1447 HydrophobicContact CD2-CD2 3.72Å; L1416-F1447 HydrophobicContact CD2-CE2 4.27Å; L1416-F1447 HydrophobicContact CD2-CG 3.92Å; L1416-V1460 HydrophobicContact CD2-CG1 3.65Å |
| 1417 | E | 95.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 156.4 | -179.3 | -59.7 | -154 | 40.7 | 0 | 0 | 112 | C1407 W1408 R1415 R1426 H1427 I1428 | C1407-E1417 CarbonylContact C-O 3.58Å; C1407-E1417 WeakPolarHBondContact CA-O 3.22Å; C1407-E1417 WeakPolarHBondContact CB-O 3.41Å; W1408-E1417 HydrophobicContact CD2-CB 4.29Å; W1408-E1417 HydrophobicContact CH2-CB 3.99Å; W1408-E1417 HydrophobicContact CZ2-CB 3.73Å; W1408-E1417 HydrophobicContact CZ3-CB 4.37Å; W1408-E1417 PolarHBondContact N-O 3.31Å; W1408-E1417 PolarHBondContact O-N 3.46Å; R1415-E1417 HydrophobicContact CB-CG 3.73Å; R1415-E1417 WeakPolarHBondContact CD-OE2 3.47Å; R1415-E1417 IonicContact CZ-OE2 2.7Å; R1415-E1417 IonicContact NE-OE2 3.79Å; R1415-E1417 IonicContact NH1-OE2 3.79Å; R1415-E1417 PolarHBondContact NH1-OE2 2.89Å; R1415-E1417 VanDerWaalsContact NH1-OE2 3.14Å; E1417-R1426 IonicContact OE1-CZ 2.97Å; E1417-R1426 IonicContact OE1-NE 3.37Å; E1417-R1426 PolarHBondContact OE1-NE 2.85Å; E1417-R1426 IonicContact OE1-NH2 2.6Å; E1417-R1426 PolarHBondContact OE1-NH2 3.43Å; E1417-R1426 IonicContact OE2-CZ 3.61Å; E1417-R1426 IonicContact OE2-NE 2.68Å; E1417-R1426 IonicContact OE2-NH2 3.78Å; E1417-R1426 PolarHBondContact OE2-NH2 2.81Å; E1417-H1427 CarbonylContact C-O 3.43Å; E1417-H1427 WeakPolarHBondContact CA-O 3.04Å; E1417-I1428 HydrophobicContact CG-CB 4.4Å; E1417-I1428 HydrophobicContact CG-CG1 3.9Å |
| 1418 | C | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.3 | 175.4 | -69 | 0 | 0 | 0 | 0 | 111.1 | I1406 C1407 R1426 H1427 I1429 | I1406-C1418 CarbonylContact O-C 3.54Å; I1406-C1418 WeakPolarHBondContact O-CA 3.36Å; C1407-C1418 HydrophobicContact CB-CB 4.1Å; C1407-C1418 WeakPolarHBondContact CB-SG 3.02Å; C1407-C1418 WeakPolarHBondContact SG-CB 3.25Å; C1407-C1418 CovalentContact SG-SG 2.03Å; C1407-C1418 PolarHBondContact SG-SG 3Å; C1418-R1426 CarbonylContact O-C 3.54Å; C1418-R1426 VanDerWaalsContact O-CA 3.25Å; C1418-R1426 WeakPolarHBondContact O-CA 3.04Å; C1418-H1427 PolarHBondContact N-O 3.34Å; C1418-H1427 PolarHBondContact O-N 3.15Å; C1418-I1429 HydrophobicContact CB-CD1 4.33Å; C1418-I1429 HydrophobicContact CB-CG1 4.29Å; C1418-I1429 WeakPolarHBondContact SG-CG1 3.03Å |
| 1419 | I | 96.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.6 | 170.9 | -165.8 | 175.9 | 0 | 0 | 0 | 110.3 | Y1386 V1387 E1405 I1406 W1408 L1424 R1426 | Y1386-I1419 HydrophobicContact CE1-CG2 3.73Å; V1387-I1419 HydrophobicContact CG2-CG2 4.4Å; E1405-I1419 CarbonylContact C-O 3.58Å; E1405-I1419 WeakPolarHBondContact CA-O 3.45Å; I1406-I1419 HydrophobicContact CG2-CG2 3.75Å; I1406-I1419 PolarHBondContact N-O 2.82Å; I1406-I1419 PolarHBondContact O-N 2.94Å; W1408-I1419 HydrophobicContact CH2-CB 4.34Å; W1408-I1419 HydrophobicContact CH2-CG2 4.27Å; W1408-I1419 HydrophobicContact CZ3-CB 4.06Å; W1408-I1419 HydrophobicContact CZ3-CG2 3.71Å; I1419-L1424 WeakPolarHBondContact CG1-O 3.3Å; I1419-R1426 HydrophobicContact CB-CB 4.22Å; I1419-R1426 HydrophobicContact CD1-CB 4.01Å; I1419-R1426 HydrophobicContact CG1-CB 3.95Å |
| 1420 | G | 94.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 146.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y1386 R1404 N1422 H1423 L1424 | Y1386-G1420 PolarHBondContact OH-O 2.04Å; R1404-G1420 CarbonylContact O-C 3.53Å; R1404-G1420 WeakPolarHBondContact O-CA 3.44Å; G1420-N1422 PolarHBondContact O-N 3.23Å; G1420-H1423 PolarHBondContact O-N 3.03Å; G1420-H1423 VanDerWaalsContact O-N 3.09Å; G1420-L1424 WeakPolarHBondContact CA-O 3.35Å; G1420-L1424 PolarHBondContact N-O 3.29Å |
| 1421 | T | 92 | Very high | 93 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 1 | 180 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | D1358 Y1362 R1375 Y1386 R1404 | D1358-T1421 PolarHBondContact OD2-OG1 3.48Å; Y1362-T1421 WeakPolarHBondContact OH-CG2 3.02Å; R1375-T1421 PolarHBondContact NH1-O 2.87Å; Y1386-T1421 WeakPolarHBondContact OH-CA 3.32Å; Y1386-T1421 PolarHBondContact OH-O 2.8Å; R1404-T1421 PolarHBondContact O-N 3.3Å |
| 1422 | N | 89.8 | Confident | 92.7 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 16.5 | 175.8 | 62 | 4.4 | 0 | 0 | 0 | 113.5 | G1420 L1424 | G1420-N1422 PolarHBondContact O-N 3.23Å; N1422-L1424 VanDerWaalsContact C-N 3.26Å; N1422-L1424 PolarHBondContact O-N 3.36Å; N1422-L1424 WeakPolarHBondContact OD1-CB 3.44Å; N1422-L1424 PolarHBondContact OD1-N 2.72Å; N1422-L1424 VanDerWaalsContact OD1-N 3.07Å |
| 1423 | H | 88.5 | Confident | 92.7 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 39% | 0.389 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 65 | 15.1 | -173.6 | -66.6 | -96.4 | 0 | 0 | 0 | 115.5 | E1384 Y1386 G1420 | E1384-H1423 IonicContact OE1-CE1 3.68Å; E1384-H1423 IonicContact OE1-NE2 2.92Å; E1384-H1423 PolarHBondContact OE1-NE2 3.29Å; Y1386-H1423 AromaticContact CD2-CE1 3.3Å; Y1386-H1423 WeakPolarHBondContact CD2-CE1 3.24Å; Y1386-H1423 AromaticContact CD2-ND1 3.99Å; Y1386-H1423 AromaticContact CD2-NE2 3.42Å; Y1386-H1423 WeakPolarHBondContact CD2-NE2 3.07Å; Y1386-H1423 AromaticContact CE2-CD2 3.53Å; Y1386-H1423 AromaticContact CE2-CE1 3.38Å; Y1386-H1423 WeakPolarHBondContact CE2-CE1 3.47Å; Y1386-H1423 AromaticContact CE2-CG 3.81Å; Y1386-H1423 AromaticContact CE2-ND1 3.74Å; Y1386-H1423 AromaticContact CE2-NE2 3.25Å; Y1386-H1423 WeakPolarHBondContact CE2-NE2 3.46Å; Y1386-H1423 PolarHBondContact OH-N 2.73Å; Y1386-H1423 VanDerWaalsContact OH-N 3.11Å; G1420-H1423 PolarHBondContact O-N 3.03Å; G1420-H1423 VanDerWaalsContact O-N 3.09Å |
| 1424 | L | 87.9 | Confident | 92.5 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 61% | 0.613 | 26% | 0.259 | S | S | * | . | trans | -112.7 | 156 | -177.5 | -58 | 177.7 | 0 | 0 | 0 | 112.9 | I1419 G1420 N1422 | I1419-L1424 WeakPolarHBondContact CG1-O 3.3Å; G1420-L1424 WeakPolarHBondContact CA-O 3.35Å; G1420-L1424 PolarHBondContact N-O 3.29Å; N1422-L1424 VanDerWaalsContact C-N 3.26Å; N1422-L1424 PolarHBondContact O-N 3.36Å; N1422-L1424 WeakPolarHBondContact OD1-CB 3.44Å; N1422-L1424 PolarHBondContact OD1-N 2.72Å; N1422-L1424 VanDerWaalsContact OD1-N 3.07Å | ||
| 1425 | G | 87.1 | Confident | 92.4 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | trans | 72.2 | 34.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1427 | G1425-H1427 PolarHBondContact O-N 3.38Å; G1425-H1427 PolarHBondContact O-ND1 3.31Å | ||
| 1426 | R | 94.3 | Very high | 92.4 | Very high | 69 Ų | 69 | 44 Ų | 44 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | trans | -57.2 | 128.4 | 172.5 | -177.1 | 174.7 | 168.5 | 168.9 | -3.6 | 110.4 | S1389 E1390 W1408 E1417 C1418 I1419 | S1389-R1426 PolarHBondContact O-NH1 2.99Å; E1390-R1426 PolarHBondContact O-NH2 3.22Å; W1408-R1426 HydrophobicContact CH2-CG 4.17Å; E1417-R1426 IonicContact OE1-CZ 2.97Å; E1417-R1426 IonicContact OE1-NE 3.37Å; E1417-R1426 PolarHBondContact OE1-NE 2.85Å; E1417-R1426 IonicContact OE1-NH2 2.6Å; E1417-R1426 PolarHBondContact OE1-NH2 3.43Å; E1417-R1426 IonicContact OE2-CZ 3.61Å; E1417-R1426 IonicContact OE2-NE 2.68Å; E1417-R1426 IonicContact OE2-NH2 3.78Å; E1417-R1426 PolarHBondContact OE2-NH2 2.81Å; C1418-R1426 CarbonylContact O-C 3.54Å; C1418-R1426 VanDerWaalsContact O-CA 3.25Å; C1418-R1426 WeakPolarHBondContact O-CA 3.04Å; I1419-R1426 HydrophobicContact CB-CB 4.22Å; I1419-R1426 HydrophobicContact CD1-CB 4.01Å; I1419-R1426 HydrophobicContact CG1-CB 3.95Å | ||
| 1427 | H | 92.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 149.5 | 178.8 | 61.7 | -79.6 | 0 | 0 | 0 | 112 | E1405 E1417 C1418 G1425 I1429 | E1405-H1427 IonicContact OE1-CE1 3.87Å; E1405-H1427 PolarHBondContact OE1-CE1 2.92Å; E1417-H1427 CarbonylContact C-O 3.43Å; E1417-H1427 WeakPolarHBondContact CA-O 3.04Å; C1418-H1427 PolarHBondContact N-O 3.34Å; C1418-H1427 PolarHBondContact O-N 3.15Å; G1425-H1427 PolarHBondContact O-N 3.38Å; G1425-H1427 PolarHBondContact O-ND1 3.31Å; H1427-I1429 WeakPolarHBondContact NE2-CD1 3.45Å |
| 1428 | I | 94.5 | Very high | 92.1 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 43% | 0.431 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.1 | 173.2 | -56.4 | 168.7 | 0 | 0 | 0 | 108.2 | R1415 E1417 A1431 | R1415-I1428 HydrophobicContact CG-CD1 4.49Å; E1417-I1428 HydrophobicContact CG-CB 4.4Å; E1417-I1428 HydrophobicContact CG-CG1 3.9Å; I1428-A1431 HydrophobicContact CG2-CB 4.2Å |
| 1429 | I | 94.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -51.7 | 169.4 | -58.1 | -64.3 | 0 | 0 | 0 | 109.5 | L1416 C1418 H1427 F1447 V1460 G1464 | L1416-I1429 HydrophobicContact CB-CB 4.47Å; L1416-I1429 HydrophobicContact CD2-CB 3.97Å; L1416-I1429 HydrophobicContact CD2-CG2 3.85Å; L1416-I1429 HydrophobicContact CG-CB 4Å; L1416-I1429 HydrophobicContact CG-CG1 4.44Å; L1416-I1429 HydrophobicContact CG-CG2 4.44Å; L1416-I1429 PolarHBondContact O-N 2.71Å; C1418-I1429 HydrophobicContact CB-CD1 4.33Å; C1418-I1429 HydrophobicContact CB-CG1 4.29Å; C1418-I1429 WeakPolarHBondContact SG-CG1 3.03Å; H1427-I1429 WeakPolarHBondContact NE2-CD1 3.45Å; I1429-F1447 HydrophobicContact CD1-CE2 4.44Å; I1429-F1447 HydrophobicContact CG1-CE2 4.07Å; I1429-F1447 HydrophobicContact CG2-CD2 4.17Å; I1429-F1447 HydrophobicContact CG2-CE2 4.03Å; I1429-V1460 HydrophobicContact CG2-CG1 4.03Å; I1429-G1464 WeakPolarHBondContact O-CA 3.33Å |
| 1430 | Y | 94.9 | Very high | 92.1 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144.1 | -175 | -168.5 | -103.8 | 0 | 0 | 0 | 112 | L1416 P1432 V1433 W1449 V1460 H1467 | L1416-Y1430 PolarHBondContact N-O 3.31Å; L1416-Y1430 PolarHBondContact O-N 3.48Å; Y1430-P1432 WeakPolarHBondContact CE1-O 3Å; Y1430-V1433 HydrophobicContact CD1-CG1 3.85Å; Y1430-W1449 AromaticContact CD1-CH2 3.69Å; Y1430-W1449 HydrophobicContact CD1-CH2 3.69Å; Y1430-W1449 AromaticContact CD1-CZ2 3.98Å; Y1430-W1449 HydrophobicContact CD1-CZ2 3.98Å; Y1430-W1449 HydrophobicContact CE1-CH2 4.03Å; Y1430-W1449 HydrophobicContact CE1-CZ2 4.13Å; Y1430-W1449 HydrophobicContact CG-CH2 4.42Å; Y1430-V1460 HydrophobicContact CD2-CG2 3.9Å; Y1430-V1460 HydrophobicContact CG-CG2 4.2Å; Y1430-H1467 AromaticContact CE1-CD2 3.36Å; Y1430-H1467 WeakPolarHBondContact CE1-CD2 3.04Å; Y1430-H1467 AromaticContact CE1-NE2 3.51Å; Y1430-H1467 HydrophobicContact CE2-CB 4.02Å; Y1430-H1467 AromaticContact CE2-CD2 3.75Å; Y1430-H1467 AromaticContact CZ-CD2 3.18Å; Y1430-H1467 AromaticContact CZ-CG 3.65Å; Y1430-H1467 AromaticContact CZ-NE2 3.63Å; Y1430-H1467 PolarHBondContact OH-CD2 2.81Å; Y1430-H1467 VanDerWaalsContact OH-CD2 3.27Å; Y1430-H1467 PolarHBondContact OH-NE2 2.94Å |
| 1431 | A | 89.7 | Confident | 92.1 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -163.2 | 143.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q1414 R1415 I1428 | Q1414-A1431 WeakPolarHBondContact O-CB 3.4Å; R1415-A1431 HydrophobicContact CG-CB 4.04Å; I1428-A1431 HydrophobicContact CG2-CB 4.2Å |
| 1432 | P | 88.8 | Confident | 92 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | cis | -73.7 | 147 | -6.6 | 32.2 | -34.9 | 0 | 0 | 0 | 112 | Q1414 Y1430 | Q1414-P1432 HydrophobicContact CB-CB 4.29Å; Q1414-P1432 WeakPolarHBondContact O-CA 3.42Å; Y1430-P1432 WeakPolarHBondContact CE1-O 3Å | ||
| 1433 | V | 90.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | trans | -96.6 | -0.9 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 114.3 | Q1414 L1416 Y1430 P1436 W1449 | Q1414-V1433 VanDerWaalsContact C-CG2 3.41Å; Q1414-V1433 PolarHBondContact O-N 3.45Å; L1416-V1433 HydrophobicContact CB-CG1 3.79Å; Y1430-V1433 HydrophobicContact CD1-CG1 3.85Å; V1433-P1436 HydrophobicContact CB-CG 4.31Å; V1433-P1436 HydrophobicContact CG2-CG 3.7Å; V1433-W1449 HydrophobicContact CB-CZ2 4.04Å; V1433-W1449 HydrophobicContact CG1-CH2 4.31Å; V1433-W1449 HydrophobicContact CG1-CZ2 3.76Å; V1433-W1449 PolarHBondContact O-NE1 3.07Å | ||
| 1434 | G | 88.9 | Confident | 91.7 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | trans | 80.5 | -134.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1414 P1436 D1451 E1453 | Q1414-G1434 PolarHBondContact NE2-O 3.2Å; G1434-P1436 VanDerWaalsContact C-CD 3.4Å; G1434-P1436 VanDerWaalsContact O-CD 3.27Å; G1434-P1436 WeakPolarHBondContact O-CD 3.44Å; G1434-D1451 WeakPolarHBondContact CA-OD2 3.38Å; G1434-E1453 WeakPolarHBondContact CA-OE2 3.3Å | ||
| 1435 | Y | 92.3 | Very high | 91.6 | Very high | 80 Ų | 80 | 41.7 Ų | 41.7 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -111.6 | 77.1 | 168.3 | -160 | -76.8 | 0 | 0 | 0 | 109.7 | L1393 A1411 D1451 W1452 | L1393-Y1435 HydrophobicContact CD1-CE2 4.47Å; A1411-Y1435 HydrophobicContact CB-CD1 4.07Å; A1411-Y1435 HydrophobicContact CB-CD2 3.93Å; A1411-Y1435 HydrophobicContact CB-CE1 4.18Å; A1411-Y1435 HydrophobicContact CB-CE2 4.05Å; A1411-Y1435 HydrophobicContact CB-CG 3.94Å; Y1435-D1451 WeakPolarHBondContact CA-OD2 3.42Å; Y1435-D1451 PolarHBondContact N-OD2 3.45Å; Y1435-W1452 HydrophobicContact CD1-CB 3.9Å; Y1435-W1452 HydrophobicContact CD1-CD2 4.05Å; Y1435-W1452 AromaticContact CD1-CE3 3.8Å; Y1435-W1452 HydrophobicContact CD1-CE3 3.8Å; Y1435-W1452 HydrophobicContact CD1-CG 4.12Å; Y1435-W1452 HydrophobicContact CE1-CD2 4.16Å; Y1435-W1452 AromaticContact CE1-CE3 3.54Å; Y1435-W1452 HydrophobicContact CE1-CE3 3.54Å; Y1435-W1452 AromaticContact CE1-CZ3 3.98Å; Y1435-W1452 HydrophobicContact CE1-CZ3 3.98Å; Y1435-W1452 HydrophobicContact CG-CB 4.37Å; Y1435-W1452 PolarHBondContact O-N 3.27Å |
| 1436 | P | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 145.5 | 178.5 | 28.2 | -39.3 | 0 | 0 | 0 | 112.4 | N1395 A1409 A1411 V1433 G1434 W1449 T1450 | N1395-P1436 WeakPolarHBondContact CB-O 3.09Å; N1395-P1436 PolarHBondContact ND2-O 2.04Å; A1409-P1436 HydrophobicContact CB-CB 3.71Å; A1409-P1436 HydrophobicContact CB-CG 3.82Å; A1411-P1436 HydrophobicContact CB-CG 4.12Å; V1433-P1436 HydrophobicContact CB-CG 4.31Å; V1433-P1436 HydrophobicContact CG2-CG 3.7Å; G1434-P1436 VanDerWaalsContact C-CD 3.4Å; G1434-P1436 VanDerWaalsContact O-CD 3.27Å; G1434-P1436 WeakPolarHBondContact O-CD 3.44Å; P1436-W1449 HydrophobicContact CB-CG 4.31Å; P1436-T1450 CarbonylContact C-O 3.57Å; P1436-T1450 WeakPolarHBondContact CA-O 3.42Å |
| 1437 | F | 93.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -88.7 | 168.9 | -162.7 | -85.9 | 0 | 0 | 0 | 112 | V1264 N1395 G1396 T1450 W1452 Y1481 | V1264-F1437 HydrophobicContact CG1-CE1 3.73Å; V1264-F1437 HydrophobicContact CG1-CZ 3.66Å; N1395-F1437 CarbonylContact C-O 3.58Å; N1395-F1437 VanDerWaalsContact C-O 3.26Å; G1396-F1437 WeakPolarHBondContact CA-O 3.13Å; G1396-F1437 PolarHBondContact N-O 2.89Å; F1437-T1450 PolarHBondContact N-O 2.86Å; F1437-W1452 HydrophobicContact CB-CZ2 4.47Å; F1437-W1452 AromaticContact CD2-CE2 3.66Å; F1437-W1452 AromaticContact CD2-CH2 3.84Å; F1437-W1452 HydrophobicContact CD2-CH2 3.84Å; F1437-W1452 AromaticContact CD2-CZ2 3.24Å; F1437-W1452 HydrophobicContact CD2-CZ2 3.24Å; F1437-W1452 AromaticContact CE2-CH2 3.92Å; F1437-W1452 HydrophobicContact CE2-CH2 3.92Å; F1437-W1452 AromaticContact CE2-CZ2 3.59Å; F1437-W1452 HydrophobicContact CE2-CZ2 3.59Å; F1437-W1452 AromaticContact CG-CZ2 3.95Å; F1437-W1452 HydrophobicContact CG-CZ2 3.95Å; F1437-W1452 AromaticContact CG-NE1 3.92Å; F1437-Y1481 VanDerWaalsContact CD1-CA 3.5Å; F1437-Y1481 HydrophobicContact CD1-CD1 4.26Å; F1437-Y1481 HydrophobicContact CD1-CG 4.48Å; F1437-Y1481 AromaticContact CE1-CD1 3.93Å; F1437-Y1481 HydrophobicContact CE1-CD1 3.93Å; F1437-Y1481 HydrophobicContact CE1-CG 4.39Å; F1437-Y1481 HydrophobicContact CE2-CD1 4.27Å; F1437-Y1481 AromaticContact CZ-CD1 3.94Å; F1437-Y1481 HydrophobicContact CZ-CD1 3.94Å |
| 1438 | G | 93.7 | Very high | 92 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | W1449 T1450 Y1481 | G1438-W1449 WeakPolarHBondContact O-CA 3.49Å; G1438-W1449 VanDerWaalsContact O-CB 3.22Å; G1438-W1449 WeakPolarHBondContact O-CB 3.17Å; G1438-T1450 PolarHBondContact N-OG1 2.91Å; G1438-T1450 PolarHBondContact O-N 2.89Å; G1438-T1450 VanDerWaalsContact O-N 3.14Å; G1438-Y1481 WeakPolarHBondContact CA-O 3.17Å; G1438-Y1481 PolarHBondContact N-O 3.14Å |
| 1439 | L | 96.6 | Very high | 92 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.3 | 175 | 175.2 | 67.9 | 0 | 0 | 0 | 109.1 | V1398 A1409 L1416 F1447 Y1448 W1449 | V1398-L1439 HydrophobicContact CG1-CD2 3.91Å; V1398-L1439 HydrophobicContact CG1-CG 4.09Å; A1409-L1439 HydrophobicContact CB-CB 4.38Å; A1409-L1439 HydrophobicContact CB-CD2 4.16Å; L1416-L1439 HydrophobicContact CD1-CD1 3.81Å; L1416-L1439 HydrophobicContact CD1-CD2 3.71Å; L1416-L1439 HydrophobicContact CD1-CG 4.45Å; L1439-F1447 HydrophobicContact CD1-CB 4.26Å; L1439-F1447 HydrophobicContact CD1-CD1 4.25Å; L1439-Y1448 WeakPolarHBondContact CA-O 3.4Å; L1439-W1449 HydrophobicContact CD1-CB 4.12Å |
| 1440 | T | 95.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 170.5 | 171.8 | -164.5 | 0 | 0 | 0 | 0 | 111.1 | L1233 F1447 Y1448 I1483 A1485 | L1233-T1440 HydrophobicContact CD2-CG2 4.13Å; T1440-F1447 WeakPolarHBondContact O-CA 3.49Å; T1440-Y1448 PolarHBondContact N-O 3.44Å; T1440-Y1448 PolarHBondContact O-N 3.47Å; T1440-I1483 WeakPolarHBondContact CB-O 3.48Å; T1440-I1483 HydrophobicContact CG2-CG1 4.14Å; T1440-I1483 HydrophobicContact CG2-CG2 4.29Å; T1440-A1485 HydrophobicContact CG2-CB 4.12Å; T1440-A1485 PolarHBondContact OG1-N 2.84Å |
| 1441 | V | 93.9 | Very high | 92 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.5 | 176.3 | 77.3 | 0 | 0 | 0 | 0 | 109.9 | V1398 L1400 T1446 F1447 | V1398-V1441 HydrophobicContact CG1-CB 4.29Å; V1398-V1441 HydrophobicContact CG1-CG1 4.5Å; V1398-V1441 HydrophobicContact CG2-CB 4.01Å; V1398-V1441 HydrophobicContact CG2-CG1 3.56Å; L1400-V1441 HydrophobicContact CD2-CB 4.36Å; L1400-V1441 HydrophobicContact CD2-CG1 4.06Å; L1400-V1441 HydrophobicContact CD2-CG2 3.9Å; V1441-T1446 WeakPolarHBondContact CA-O 3.13Å; V1441-T1446 VanDerWaalsContact CG2-O 3.31Å; V1441-T1446 WeakPolarHBondContact CG2-O 3.43Å; V1441-F1447 HydrophobicContact CB-CD1 3.94Å; V1441-F1447 HydrophobicContact CB-CE1 4.22Å; V1441-F1447 HydrophobicContact CG2-CD1 3.77Å; V1441-F1447 HydrophobicContact CG2-CE1 3.95Å; V1441-F1447 HydrophobicContact CG2-CG 4.33Å |
| 1442 | H | 89.7 | Confident | 92 | Very high | 17 Ų | 17 | 28 Ų | 28 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.2 | 169 | -179.9 | -115 | 0 | 0 | 0 | 109.4 | F1246 E1444 E1445 T1446 Y1448 A1485 | F1246-H1442 HydrophobicContact CD1-CB 4.46Å; F1246-H1442 HydrophobicContact CE1-CB 3.84Å; F1246-H1442 AromaticContact CE1-CG 3.99Å; F1246-H1442 HydrophobicContact CE2-CB 4.26Å; F1246-H1442 AromaticContact CE2-CD2 3.17Å; F1246-H1442 WeakPolarHBondContact CE2-CD2 3.18Å; F1246-H1442 AromaticContact CE2-CE1 3.68Å; F1246-H1442 AromaticContact CE2-CG 3.49Å; F1246-H1442 VanDerWaalsContact CE2-CG 3.49Å; F1246-H1442 AromaticContact CE2-ND1 3.79Å; F1246-H1442 AromaticContact CE2-NE2 3.3Å; F1246-H1442 VanDerWaalsContact CE2-NE2 3.3Å; F1246-H1442 WeakPolarHBondContact CE2-NE2 3.36Å; F1246-H1442 HydrophobicContact CZ-CB 3.77Å; F1246-H1442 AromaticContact CZ-CD2 3.21Å; F1246-H1442 WeakPolarHBondContact CZ-CD2 3.22Å; F1246-H1442 AromaticContact CZ-CG 3.45Å; F1246-H1442 VanDerWaalsContact CZ-CG 3.45Å; F1246-H1442 AromaticContact CZ-NE2 3.88Å; H1442-E1444 PolarHBondContact O-N 3.31Å; H1442-E1445 PolarHBondContact O-N 3.04Å; H1442-T1446 PolarHBondContact N-O 2.8Å; H1442-T1446 PolarHBondContact O-N 3.13Å; H1442-Y1448 HydrophobicContact CB-CE2 4.03Å; H1442-A1485 HydrophobicContact CB-CB 4.07Å |
| 1443 | N | 84 | Confident | 91.8 | Very high | 70 Ų | 70 | 29.8 Ų | 29.8 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 1.5 | 175.9 | -73.5 | -11.2 | 0 | 0 | 0 | 118.7 | R1402 E1445 | R1402-N1443 PolarHBondContact NH1-O 3.39Å; N1443-E1445 VanDerWaalsContact C-N 3.31Å; N1443-E1445 HydrophobicContact CB-CB 4.19Å; N1443-E1445 HydrophobicContact CB-CG 3.81Å; N1443-E1445 WeakPolarHBondContact CB-OE2 3.32Å; N1443-E1445 PolarHBondContact ND2-OE2 2.04Å |
| 1444 | E | 88.1 | Confident | 91.5 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 39.6 | -160.3 | -54.6 | 175.3 | -128.5 | 0 | 0 | 112.3 | L1400 T1401 R1402 R1403 H1442 I1462 | L1400-E1444 WeakPolarHBondContact CA-OE2 3.2Å; L1400-E1444 HydrophobicContact CB-CG 4.27Å; L1400-E1444 WeakPolarHBondContact CB-OE2 3.23Å; L1400-E1444 HydrophobicContact CD2-CB 4.14Å; L1400-E1444 HydrophobicContact CD2-CG 3.85Å; T1401-E1444 VanDerWaalsContact N-CD 3.26Å; T1401-E1444 PolarHBondContact N-OE1 3.16Å; T1401-E1444 PolarHBondContact N-OE2 3.34Å; R1402-E1444 WeakPolarHBondContact CA-OE2 3.46Å; R1402-E1444 WeakPolarHBondContact CB-OE1 3.4Å; R1402-E1444 WeakPolarHBondContact CB-OE2 3.33Å; R1402-E1444 WeakPolarHBondContact CD-OE1 3.48Å; R1402-E1444 WeakPolarHBondContact CG-OE1 3.47Å; R1402-E1444 PolarHBondContact N-OE1 3.04Å; R1402-E1444 PolarHBondContact N-OE2 3.11Å; R1403-E1444 PolarHBondContact N-OE2 2.96Å; H1442-E1444 PolarHBondContact O-N 3.31Å; E1444-I1462 HydrophobicContact CB-CD1 4.06Å; E1444-I1462 WeakPolarHBondContact O-CD1 3.36Å |
| 1445 | E | 86.5 | Confident | 91.5 | Very high | 107 Ų | 107 | 36.1 Ų | 36.1 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -40.7 | 179.4 | -65 | 175.1 | 147.6 | 0 | 0 | 111.5 | H1442 N1443 I1462 | H1442-E1445 PolarHBondContact O-N 3.04Å; N1443-E1445 VanDerWaalsContact C-N 3.31Å; N1443-E1445 HydrophobicContact CB-CB 4.19Å; N1443-E1445 HydrophobicContact CB-CG 3.81Å; N1443-E1445 WeakPolarHBondContact CB-OE2 3.32Å; N1443-E1445 PolarHBondContact ND2-OE2 2.04Å; E1445-I1462 WeakPolarHBondContact O-CB 3.03Å; E1445-I1462 VanDerWaalsContact O-CG2 3.28Å; E1445-I1462 WeakPolarHBondContact O-CG2 3.06Å; E1445-I1462 PolarHBondContact O-N 3.34Å |
| 1446 | T | 91 | Very high | 91.4 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 128.1 | -176.6 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | V1441 H1442 Y1448 V1460 | V1441-T1446 WeakPolarHBondContact CA-O 3.13Å; V1441-T1446 VanDerWaalsContact CG2-O 3.31Å; V1441-T1446 WeakPolarHBondContact CG2-O 3.43Å; H1442-T1446 PolarHBondContact N-O 2.8Å; H1442-T1446 PolarHBondContact O-N 3.13Å; T1446-Y1448 HydrophobicContact CG2-CD2 4.25Å; T1446-Y1448 HydrophobicContact CG2-CE2 3.61Å; T1446-V1460 WeakPolarHBondContact CA-O 3.43Å; T1446-V1460 WeakPolarHBondContact CG2-O 3.42Å |
| 1447 | F | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149.9 | 168.1 | -63.7 | -75.5 | 0 | 0 | 0 | 110.7 | V1398 L1400 C1407 L1416 I1429 L1439 T1440 V1441 S1459 V1460 I1462 | V1398-F1447 HydrophobicContact CG1-CD1 3.99Å; V1398-F1447 HydrophobicContact CG1-CE1 3.7Å; L1400-F1447 HydrophobicContact CD1-CZ 4.09Å; L1400-F1447 HydrophobicContact CD2-CE1 3.98Å; L1400-F1447 HydrophobicContact CD2-CZ 4.1Å; L1400-F1447 HydrophobicContact CG-CZ 4.48Å; C1407-F1447 HydrophobicContact CB-CE1 3.83Å; C1407-F1447 HydrophobicContact CB-CZ 3.9Å; C1407-F1447 VanDerWaalsContact SG-CZ 3.59Å; L1416-F1447 HydrophobicContact CD2-CB 4.06Å; L1416-F1447 HydrophobicContact CD2-CD2 3.72Å; L1416-F1447 HydrophobicContact CD2-CE2 4.27Å; L1416-F1447 HydrophobicContact CD2-CG 3.92Å; I1429-F1447 HydrophobicContact CD1-CE2 4.44Å; I1429-F1447 HydrophobicContact CG1-CE2 4.07Å; I1429-F1447 HydrophobicContact CG2-CD2 4.17Å; I1429-F1447 HydrophobicContact CG2-CE2 4.03Å; L1439-F1447 HydrophobicContact CD1-CB 4.26Å; L1439-F1447 HydrophobicContact CD1-CD1 4.25Å; T1440-F1447 WeakPolarHBondContact O-CA 3.49Å; V1441-F1447 HydrophobicContact CB-CD1 3.94Å; V1441-F1447 HydrophobicContact CB-CE1 4.22Å; V1441-F1447 HydrophobicContact CG2-CD1 3.77Å; V1441-F1447 HydrophobicContact CG2-CE1 3.95Å; V1441-F1447 HydrophobicContact CG2-CG 4.33Å; F1447-S1459 CarbonylContact O-C 3.55Å; F1447-S1459 WeakPolarHBondContact O-CA 3.33Å; F1447-S1459 VanDerWaalsContact O-CB 3.31Å; F1447-S1459 WeakPolarHBondContact O-CB 3.39Å; F1447-V1460 HydrophobicContact CB-CG1 4.25Å; F1447-V1460 HydrophobicContact CD2-CG1 4.23Å; F1447-V1460 PolarHBondContact N-O 3.35Å; F1447-V1460 PolarHBondContact O-N 2.05Å; F1447-I1462 HydrophobicContact CE2-CB 4.17Å; F1447-I1462 HydrophobicContact CE2-CG1 3.77Å; F1447-I1462 HydrophobicContact CZ-CG1 4.03Å |
| 1448 | Y | 95.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 37 Ų | 37 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.2 | 172.4 | -66.2 | -95.3 | 0 | 0 | 0 | 109.2 | L1233 F1246 L1439 T1440 H1442 T1446 H1458 M1470 | L1233-Y1448 HydrophobicContact CD1-CD1 3.75Å; L1233-Y1448 HydrophobicContact CD1-CE1 4.06Å; L1233-Y1448 HydrophobicContact CD1-CG 4.29Å; L1233-Y1448 HydrophobicContact CD2-CD1 4.21Å; L1233-Y1448 HydrophobicContact CD2-CD2 4.22Å; L1233-Y1448 HydrophobicContact CD2-CG 3.91Å; F1246-Y1448 HydrophobicContact CD1-CD2 4.37Å; F1246-Y1448 HydrophobicContact CD1-CE1 4.24Å; F1246-Y1448 AromaticContact CD1-CE2 3.73Å; F1246-Y1448 HydrophobicContact CD1-CE2 3.73Å; F1246-Y1448 AromaticContact CD1-CZ 3.66Å; F1246-Y1448 HydrophobicContact CE1-CD2 4.5Å; F1246-Y1448 HydrophobicContact CE1-CE2 4.13Å; F1246-Y1448 PolarHBondContact O-OH 2.81Å; L1439-Y1448 WeakPolarHBondContact CA-O 3.4Å; T1440-Y1448 PolarHBondContact N-O 3.44Å; T1440-Y1448 PolarHBondContact O-N 3.47Å; H1442-Y1448 HydrophobicContact CB-CE2 4.03Å; T1446-Y1448 HydrophobicContact CG2-CD2 4.25Å; T1446-Y1448 HydrophobicContact CG2-CE2 3.61Å; Y1448-H1458 CarbonylContact C-O 3.59Å; Y1448-H1458 VanDerWaalsContact CA-O 3.3Å; Y1448-H1458 WeakPolarHBondContact CA-O 3.08Å; Y1448-M1470 HydrophobicContact CD1-CE 3.66Å; Y1448-M1470 HydrophobicContact CE1-CE 3.83Å |
| 1449 | W | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.6 | 175.2 | 71.8 | 96.6 | 0 | 0 | 0 | 112.5 | Y1430 V1433 P1436 G1438 L1439 I1457 H1458 V1460 H1467 | Y1430-W1449 AromaticContact CD1-CH2 3.69Å; Y1430-W1449 HydrophobicContact CD1-CH2 3.69Å; Y1430-W1449 AromaticContact CD1-CZ2 3.98Å; Y1430-W1449 HydrophobicContact CD1-CZ2 3.98Å; Y1430-W1449 HydrophobicContact CE1-CH2 4.03Å; Y1430-W1449 HydrophobicContact CE1-CZ2 4.13Å; Y1430-W1449 HydrophobicContact CG-CH2 4.42Å; V1433-W1449 HydrophobicContact CB-CZ2 4.04Å; V1433-W1449 HydrophobicContact CG1-CH2 4.31Å; V1433-W1449 HydrophobicContact CG1-CZ2 3.76Å; V1433-W1449 PolarHBondContact O-NE1 3.07Å; P1436-W1449 HydrophobicContact CB-CG 4.31Å; G1438-W1449 WeakPolarHBondContact O-CA 3.49Å; G1438-W1449 VanDerWaalsContact O-CB 3.22Å; G1438-W1449 WeakPolarHBondContact O-CB 3.17Å; L1439-W1449 HydrophobicContact CD1-CB 4.12Å; W1449-I1457 CarbonylContact O-C 3.6Å; W1449-I1457 WeakPolarHBondContact O-CA 3.37Å; W1449-H1458 HydrophobicContact CD2-CB 3.88Å; W1449-H1458 VanDerWaalsContact CE2-CB 3.5Å; W1449-H1458 HydrophobicContact CE3-CB 4.16Å; W1449-H1458 HydrophobicContact CH2-CB 3.8Å; W1449-H1458 HydrophobicContact CZ2-CB 3.47Å; W1449-H1458 VanDerWaalsContact CZ2-CB 3.47Å; W1449-H1458 HydrophobicContact CZ3-CB 4.12Å; W1449-H1458 PolarHBondContact N-O 2.86Å; W1449-H1458 AromaticContact NE1-CD2 3.95Å; W1449-H1458 PolarHBondContact O-N 2.98Å; W1449-V1460 HydrophobicContact CH2-CB 4.24Å; W1449-V1460 HydrophobicContact CH2-CG1 4.27Å; W1449-V1460 HydrophobicContact CZ3-CB 3.94Å; W1449-V1460 HydrophobicContact CZ3-CG1 3.72Å; W1449-H1467 AromaticContact CH2-CD2 3.72Å; W1449-H1467 AromaticContact CH2-NE2 3.67Å; W1449-H1467 AromaticContact CZ2-NE2 3.84Å |
| 1450 | T | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.9 | 171.2 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | P1436 F1437 G1438 I1457 L1480 Y1481 I1483 | P1436-T1450 CarbonylContact C-O 3.57Å; P1436-T1450 WeakPolarHBondContact CA-O 3.42Å; F1437-T1450 PolarHBondContact N-O 2.86Å; G1438-T1450 PolarHBondContact N-OG1 2.91Å; G1438-T1450 PolarHBondContact O-N 2.89Å; G1438-T1450 VanDerWaalsContact O-N 3.14Å; T1450-I1457 HydrophobicContact CG2-CG1 4.25Å; T1450-L1480 HydrophobicContact CG2-CB 3.74Å; T1450-Y1481 PolarHBondContact OG1-O 2.8Å; T1450-I1483 HydrophobicContact CG2-CB 3.86Å; T1450-I1483 HydrophobicContact CG2-CD1 4.11Å; T1450-I1483 HydrophobicContact CG2-CG2 3.99Å |
| 1451 | D | 92.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.4 | 179.5 | -172.1 | -94.2 | 0 | 0 | 0 | 112.6 | G1434 Y1435 E1453 D1454 K1455 R1456 | G1434-D1451 WeakPolarHBondContact CA-OD2 3.38Å; Y1435-D1451 WeakPolarHBondContact CA-OD2 3.42Å; Y1435-D1451 PolarHBondContact N-OD2 3.45Å; D1451-E1453 WeakPolarHBondContact OD1-CA 3.38Å; D1451-E1453 WeakPolarHBondContact OD1-CB 3.49Å; D1451-E1453 PolarHBondContact OD1-N 3.36Å; D1451-D1454 PolarHBondContact OD1-N 2.83Å; D1451-K1455 WeakPolarHBondContact O-CA 3.35Å; D1451-R1456 PolarHBondContact N-O 3.49Å |
| 1452 | W | 90.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -102.8 | -16.9 | 178.2 | -74.4 | 11 | 0 | 0 | 0 | 114.5 | Y1435 F1437 K1479 L1480 Y1481 | Y1435-W1452 HydrophobicContact CD1-CB 3.9Å; Y1435-W1452 HydrophobicContact CD1-CD2 4.05Å; Y1435-W1452 AromaticContact CD1-CE3 3.8Å; Y1435-W1452 HydrophobicContact CD1-CE3 3.8Å; Y1435-W1452 HydrophobicContact CD1-CG 4.12Å; Y1435-W1452 HydrophobicContact CE1-CD2 4.16Å; Y1435-W1452 AromaticContact CE1-CE3 3.54Å; Y1435-W1452 HydrophobicContact CE1-CE3 3.54Å; Y1435-W1452 AromaticContact CE1-CZ3 3.98Å; Y1435-W1452 HydrophobicContact CE1-CZ3 3.98Å; Y1435-W1452 HydrophobicContact CG-CB 4.37Å; Y1435-W1452 PolarHBondContact O-N 3.27Å; F1437-W1452 HydrophobicContact CB-CZ2 4.47Å; F1437-W1452 AromaticContact CD2-CE2 3.66Å; F1437-W1452 AromaticContact CD2-CH2 3.84Å; F1437-W1452 HydrophobicContact CD2-CH2 3.84Å; F1437-W1452 AromaticContact CD2-CZ2 3.24Å; F1437-W1452 HydrophobicContact CD2-CZ2 3.24Å; F1437-W1452 AromaticContact CE2-CH2 3.92Å; F1437-W1452 HydrophobicContact CE2-CH2 3.92Å; F1437-W1452 AromaticContact CE2-CZ2 3.59Å; F1437-W1452 HydrophobicContact CE2-CZ2 3.59Å; F1437-W1452 AromaticContact CG-CZ2 3.95Å; F1437-W1452 HydrophobicContact CG-CZ2 3.95Å; F1437-W1452 AromaticContact CG-NE1 3.92Å; W1452-K1479 HydrophobicContact CD2-CD 4Å; W1452-K1479 HydrophobicContact CE3-CD 4.12Å; W1452-K1479 HydrophobicContact CH2-CD 4.39Å; W1452-K1479 HydrophobicContact CZ2-CD 4.28Å; W1452-K1479 HydrophobicContact CZ3-CD 4.31Å; W1452-L1480 VanDerWaalsContact CD1-O 3.29Å; W1452-L1480 PolarHBondContact NE1-O 3.04Å; W1452-Y1481 HydrophobicContact CH2-CE1 4.27Å; W1452-Y1481 AromaticContact CZ2-CD1 3.79Å; W1452-Y1481 HydrophobicContact CZ2-CD1 3.79Å; W1452-Y1481 AromaticContact CZ2-CE1 3.6Å; W1452-Y1481 HydrophobicContact CZ2-CE1 3.6Å |
| 1453 | E | 84.6 | Confident | 90.6 | Very high | 127 Ų | 127 | 43.1 Ų | 43.1 | 59% | 0.593 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -82.7 | -53.5 | -176.9 | -172.2 | 172.9 | -175 | 0 | 0 | 110.4 | G1434 D1451 | G1434-E1453 WeakPolarHBondContact CA-OE2 3.3Å; D1451-E1453 WeakPolarHBondContact OD1-CA 3.38Å; D1451-E1453 WeakPolarHBondContact OD1-CB 3.49Å; D1451-E1453 PolarHBondContact OD1-N 3.36Å |
| 1454 | D | 84.5 | Confident | 90.4 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -95.6 | -8.9 | 175.1 | 95.6 | -29.9 | 0 | 0 | 0 | 114 | D1451 R1456 H1458 | D1451-D1454 PolarHBondContact OD1-N 2.83Å; D1454-R1456 VanDerWaalsContact C-N 3.35Å; D1454-R1456 PolarHBondContact O-N 2.87Å; D1454-R1456 WeakPolarHBondContact OD1-CB 3.14Å; D1454-R1456 PolarHBondContact OD1-N 2.04Å; D1454-R1456 VanDerWaalsContact OD2-CD 3.31Å; D1454-R1456 WeakPolarHBondContact OD2-CD 3.42Å; D1454-R1456 IonicContact OD2-NE 2.78Å; D1454-H1458 IonicContact OD1-CD2 3Å; D1454-H1458 IonicContact OD1-CE1 2.69Å; D1454-H1458 IonicContact OD1-NE2 3.19Å; D1454-H1458 PolarHBondContact OD1-NE2 2.87Å; D1454-H1458 IonicContact OD2-CE1 3.87Å; D1454-H1458 PolarHBondContact OD2-CE1 2.7Å; D1454-H1458 IonicContact OD2-NE2 2.7Å; D1454-H1458 PolarHBondContact OD2-NE2 3.18Å; D1454-H1458 VanDerWaalsContact OD2-NE2 3.14Å |
| 1455 | K | 87.1 | Confident | 89.8 | Confident | 83 Ų | 83 | 41.2 Ų | 41.2 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | trans | 64.8 | 31.5 | 175.6 | -55.2 | 162.8 | -178.5 | 173.9 | 0 | 113.7 | I998 D1451 P1472 L1480 | I998-K1455 HydrophobicContact CD1-CD 4.17Å; I998-K1455 HydrophobicContact CG2-CD 4.33Å; D1451-K1455 WeakPolarHBondContact O-CA 3.35Å; K1455-P1472 WeakPolarHBondContact O-CD 3.44Å; K1455-L1480 WeakPolarHBondContact O-CD1 3.38Å | ||
| 1456 | R | 90.1 | Very high | 89.5 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -115.5 | 172.5 | 178.9 | -59.6 | -175.6 | -177.9 | 178.7 | -0.5 | 113.1 | D1451 D1454 S1469 M1470 L1480 | D1451-R1456 PolarHBondContact N-O 3.49Å; D1454-R1456 VanDerWaalsContact C-N 3.35Å; D1454-R1456 PolarHBondContact O-N 2.87Å; D1454-R1456 WeakPolarHBondContact OD1-CB 3.14Å; D1454-R1456 PolarHBondContact OD1-N 2.04Å; D1454-R1456 VanDerWaalsContact OD2-CD 3.31Å; D1454-R1456 WeakPolarHBondContact OD2-CD 3.42Å; D1454-R1456 IonicContact OD2-NE 2.78Å; R1456-S1469 WeakPolarHBondContact CD-OG 3.07Å; R1456-M1470 WeakPolarHBondContact CB-O 3.45Å; R1456-L1480 WeakPolarHBondContact O-CD1 3.31Å |
| 1457 | I | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117 | 166.1 | -55 | 172.5 | 0 | 0 | 0 | 107.2 | F1235 W1449 T1450 M1470 L1480 I1483 | F1235-I1457 HydrophobicContact CD1-CD1 3.45Å; F1235-I1457 VanDerWaalsContact CD1-CD1 3.45Å; F1235-I1457 HydrophobicContact CD2-CD1 3.96Å; F1235-I1457 HydrophobicContact CE1-CD1 3.4Å; F1235-I1457 HydrophobicContact CE2-CD1 3.92Å; F1235-I1457 HydrophobicContact CG-CD1 3.73Å; F1235-I1457 HydrophobicContact CZ-CD1 3.63Å; W1449-I1457 CarbonylContact O-C 3.6Å; W1449-I1457 WeakPolarHBondContact O-CA 3.37Å; T1450-I1457 HydrophobicContact CG2-CG1 4.25Å; I1457-M1470 HydrophobicContact CB-CB 4.42Å; I1457-M1470 HydrophobicContact CB-CE 3.95Å; I1457-M1470 HydrophobicContact CG2-CE 3.51Å; I1457-M1470 PolarHBondContact N-O 2.88Å; I1457-M1470 WeakPolarHBondContact O-CA 3.13Å; I1457-M1470 VanDerWaalsContact O-CB 3.31Å; I1457-M1470 WeakPolarHBondContact O-CB 3.24Å; I1457-M1470 WeakPolarHBondContact O-CG 3.02Å; I1457-M1470 PolarHBondContact O-N 2.59Å; I1457-L1480 HydrophobicContact CG1-CD1 4.17Å; I1457-I1483 HydrophobicContact CD1-CD1 4.13Å; I1457-I1483 HydrophobicContact CG1-CD1 4.36Å; I1457-I1483 HydrophobicContact CG2-CD1 3.4Å; I1457-I1483 VanDerWaalsContact CG2-CD1 3.4Å |
| 1458 | H | 94.2 | Very high | 88.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 159.6 | 175.8 | -58.6 | -92.6 | 0 | 0 | 0 | 110.6 | Y1448 W1449 D1454 H1467 Q1468 S1469 | Y1448-H1458 CarbonylContact C-O 3.59Å; Y1448-H1458 VanDerWaalsContact CA-O 3.3Å; Y1448-H1458 WeakPolarHBondContact CA-O 3.08Å; W1449-H1458 HydrophobicContact CD2-CB 3.88Å; W1449-H1458 VanDerWaalsContact CE2-CB 3.5Å; W1449-H1458 HydrophobicContact CE3-CB 4.16Å; W1449-H1458 HydrophobicContact CH2-CB 3.8Å; W1449-H1458 HydrophobicContact CZ2-CB 3.47Å; W1449-H1458 VanDerWaalsContact CZ2-CB 3.47Å; W1449-H1458 HydrophobicContact CZ3-CB 4.12Å; W1449-H1458 PolarHBondContact N-O 2.86Å; W1449-H1458 AromaticContact NE1-CD2 3.95Å; W1449-H1458 PolarHBondContact O-N 2.98Å; D1454-H1458 IonicContact OD1-CD2 3Å; D1454-H1458 IonicContact OD1-CE1 2.69Å; D1454-H1458 IonicContact OD1-NE2 3.19Å; D1454-H1458 PolarHBondContact OD1-NE2 2.87Å; D1454-H1458 IonicContact OD2-CE1 3.87Å; D1454-H1458 PolarHBondContact OD2-CE1 2.7Å; D1454-H1458 IonicContact OD2-NE2 2.7Å; D1454-H1458 PolarHBondContact OD2-NE2 3.18Å; D1454-H1458 VanDerWaalsContact OD2-NE2 3.14Å; H1458-H1467 AromaticContact ND1-CE1 3.44Å; H1458-H1467 PolarHBondContact ND1-CE1 3.14Å; H1458-H1467 AromaticContact ND1-NE2 3.64Å; H1458-Q1468 CarbonylContact C-O 3.59Å; H1458-Q1468 VanDerWaalsContact CA-O 3.26Å; H1458-Q1468 WeakPolarHBondContact CA-O 3.46Å; H1458-S1469 PolarHBondContact CE1-OG 3.35Å; H1458-S1469 WeakPolarHBondContact ND1-CB 3.16Å; H1458-S1469 PolarHBondContact ND1-OG 2.84Å |
| 1459 | S | 93.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.6 | 171.6 | 78.2 | 0 | 0 | 0 | 0 | 110.6 | F1447 H1467 Q1468 | F1447-S1459 CarbonylContact O-C 3.55Å; F1447-S1459 WeakPolarHBondContact O-CA 3.33Å; F1447-S1459 VanDerWaalsContact O-CB 3.31Å; F1447-S1459 WeakPolarHBondContact O-CB 3.39Å; S1459-H1467 CarbonylContact O-C 3.5Å; S1459-H1467 VanDerWaalsContact O-CA 3.27Å; S1459-H1467 WeakPolarHBondContact O-CA 3.32Å; S1459-H1467 PolarHBondContact O-CD2 3.31Å; S1459-Q1468 PolarHBondContact N-O 2.71Å; S1459-Q1468 PolarHBondContact O-N 3.45Å |
| 1460 | V | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 145.4 | 173.3 | 75.4 | 0 | 0 | 0 | 0 | 109.6 | L1416 I1429 Y1430 T1446 F1447 W1449 G1465 H1467 | L1416-V1460 HydrophobicContact CD2-CG1 3.65Å; I1429-V1460 HydrophobicContact CG2-CG1 4.03Å; Y1430-V1460 HydrophobicContact CD2-CG2 3.9Å; Y1430-V1460 HydrophobicContact CG-CG2 4.2Å; T1446-V1460 WeakPolarHBondContact CA-O 3.43Å; T1446-V1460 WeakPolarHBondContact CG2-O 3.42Å; F1447-V1460 HydrophobicContact CB-CG1 4.25Å; F1447-V1460 HydrophobicContact CD2-CG1 4.23Å; F1447-V1460 PolarHBondContact N-O 3.35Å; F1447-V1460 PolarHBondContact O-N 2.05Å; W1449-V1460 HydrophobicContact CH2-CB 4.24Å; W1449-V1460 HydrophobicContact CH2-CG1 4.27Å; W1449-V1460 HydrophobicContact CZ3-CB 3.94Å; W1449-V1460 HydrophobicContact CZ3-CG1 3.72Å; V1460-G1465 WeakPolarHBondContact CG2-O 3.49Å; V1460-H1467 HydrophobicContact CG2-CB 4.41Å |
| 1461 | S | 89.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 155 | 170.3 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | Y1463 G1464 G1465 | S1461-Y1463 PolarHBondContact O-N 3.37Å; S1461-Y1463 PolarHBondContact OG-N 2.91Å; S1461-G1464 PolarHBondContact O-N 3.4Å; S1461-G1464 PolarHBondContact OG-N 3.24Å; S1461-G1465 VanDerWaalsContact CB-O 3.28Å; S1461-G1465 WeakPolarHBondContact CB-O 3.03Å; S1461-G1465 PolarHBondContact N-O 3.36Å; S1461-G1465 VanDerWaalsContact OG-C 3.25Å; S1461-G1465 WeakPolarHBondContact OG-CA 3.1Å; S1461-G1465 PolarHBondContact OG-N 3.12Å; S1461-G1465 PolarHBondContact OG-O 3.43Å |
| 1462 | I | 91.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 16 | 173.5 | -160 | 168.7 | 0 | 0 | 0 | 114.6 | L1400 R1403 E1444 E1445 F1447 | L1400-I1462 HydrophobicContact CD1-CD1 3.71Å; L1400-I1462 HydrophobicContact CD1-CG1 4.24Å; L1400-I1462 HydrophobicContact CD2-CD1 3.68Å; L1400-I1462 HydrophobicContact CG-CD1 4.32Å; R1403-I1462 PolarHBondContact NH1-O 3.2Å; E1444-I1462 HydrophobicContact CB-CD1 4.06Å; E1444-I1462 WeakPolarHBondContact O-CD1 3.36Å; E1445-I1462 WeakPolarHBondContact O-CB 3.03Å; E1445-I1462 VanDerWaalsContact O-CG2 3.28Å; E1445-I1462 WeakPolarHBondContact O-CG2 3.06Å; E1445-I1462 PolarHBondContact O-N 3.34Å; F1447-I1462 HydrophobicContact CE2-CB 4.17Å; F1447-I1462 HydrophobicContact CE2-CG1 3.77Å; F1447-I1462 HydrophobicContact CZ-CG1 4.03Å |
| 1463 | Y | 87.2 | Confident | 85.1 | Confident | 185 Ų | 185 | 52.4 Ų | 52.4 | 73% | 0.725 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 7.5 | 172.5 | -58.3 | -65.8 | 0 | 0 | 0 | 112.8 | R1403 S1461 G1465 | R1403-Y1463 VanDerWaalsContact NH2-CZ 3.26Å; R1403-Y1463 PolarHBondContact NH2-OH 2.99Å; S1461-Y1463 PolarHBondContact O-N 3.37Å; S1461-Y1463 PolarHBondContact OG-N 2.91Å; Y1463-G1465 VanDerWaalsContact C-N 3.32Å; Y1463-G1465 PolarHBondContact O-N 3.03Å |
| 1464 | G | 80.3 | Confident | 83.6 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 84.3 | -5.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1429 S1461 | I1429-G1464 WeakPolarHBondContact O-CA 3.33Å; S1461-G1464 PolarHBondContact O-N 3.4Å; S1461-G1464 PolarHBondContact OG-N 3.24Å |
| 1465 | G | 74.6 | Confident | 81.8 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | trans | -86 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1460 S1461 Y1463 H1467 | V1460-G1465 WeakPolarHBondContact CG2-O 3.49Å; S1461-G1465 VanDerWaalsContact CB-O 3.28Å; S1461-G1465 WeakPolarHBondContact CB-O 3.03Å; S1461-G1465 PolarHBondContact N-O 3.36Å; S1461-G1465 VanDerWaalsContact OG-C 3.25Å; S1461-G1465 WeakPolarHBondContact OG-CA 3.1Å; S1461-G1465 PolarHBondContact OG-N 3.12Å; S1461-G1465 PolarHBondContact OG-O 3.43Å; Y1463-G1465 VanDerWaalsContact C-N 3.32Å; Y1463-G1465 PolarHBondContact O-N 3.03Å; G1465-H1467 VanDerWaalsContact C-N 3.35Å; G1465-H1467 PolarHBondContact O-N 3.17Å | ||
| 1466 | D | 79.2 | Confident | 80.2 | Confident | 133 Ų | 133 | 45.7 Ų | 45.7 | 71% | 0.711 | 26% | 0.263 | S | S | * | . | trans | 57.8 | 41.6 | 170.5 | -45.5 | -38.4 | 0 | 0 | 0 | 114.1 | Q1468 | D1466-Q1468 PolarHBondContact O-N 3.09Š| ||
| 1467 | H | 87.2 | Confident | 78.7 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 32% | 0.324 | 27% | 0.267 | S | S | . | . | trans | -65.9 | 128.2 | 176.3 | -176.7 | -90.8 | 0 | 0 | 0 | 111.8 | Y1430 W1449 H1458 S1459 V1460 G1465 | Y1430-H1467 AromaticContact CE1-CD2 3.36Å; Y1430-H1467 WeakPolarHBondContact CE1-CD2 3.04Å; Y1430-H1467 AromaticContact CE1-NE2 3.51Å; Y1430-H1467 HydrophobicContact CE2-CB 4.02Å; Y1430-H1467 AromaticContact CE2-CD2 3.75Å; Y1430-H1467 AromaticContact CZ-CD2 3.18Å; Y1430-H1467 AromaticContact CZ-CG 3.65Å; Y1430-H1467 AromaticContact CZ-NE2 3.63Å; Y1430-H1467 PolarHBondContact OH-CD2 2.81Å; Y1430-H1467 VanDerWaalsContact OH-CD2 3.27Å; Y1430-H1467 PolarHBondContact OH-NE2 2.94Å; W1449-H1467 AromaticContact CH2-CD2 3.72Å; W1449-H1467 AromaticContact CH2-NE2 3.67Å; W1449-H1467 AromaticContact CZ2-NE2 3.84Å; H1458-H1467 AromaticContact ND1-CE1 3.44Å; H1458-H1467 PolarHBondContact ND1-CE1 3.14Å; H1458-H1467 AromaticContact ND1-NE2 3.64Å; S1459-H1467 CarbonylContact O-C 3.5Å; S1459-H1467 VanDerWaalsContact O-CA 3.27Å; S1459-H1467 WeakPolarHBondContact O-CA 3.32Å; S1459-H1467 PolarHBondContact O-CD2 3.31Å; V1460-H1467 HydrophobicContact CG2-CB 4.41Å; G1465-H1467 VanDerWaalsContact C-N 3.35Å; G1465-H1467 PolarHBondContact O-N 3.17Å | ||
| 1468 | Q | 86.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 44.4 Ų | 44.4 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153 | 173.5 | -55.4 | -175.9 | -13 | 0 | 0 | 110.6 | P1248 H1458 S1459 D1466 | P1248-Q1468 HydrophobicContact CG-CB 4.48Å; H1458-Q1468 CarbonylContact C-O 3.59Å; H1458-Q1468 VanDerWaalsContact CA-O 3.26Å; H1458-Q1468 WeakPolarHBondContact CA-O 3.46Å; S1459-Q1468 PolarHBondContact N-O 2.71Å; S1459-Q1468 PolarHBondContact O-N 3.45Å; D1466-Q1468 PolarHBondContact O-N 3.09Å |
| 1469 | S | 85.8 | Confident | 77.1 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.4 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | R1456 H1458 | R1456-S1469 WeakPolarHBondContact CD-OG 3.07Å; H1458-S1469 PolarHBondContact CE1-OG 3.35Å; H1458-S1469 WeakPolarHBondContact ND1-CB 3.16Å; H1458-S1469 PolarHBondContact ND1-OG 2.84Å |
| 1470 | M | 86 | Confident | 77 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117.3 | -165.4 | -45.7 | -175.8 | -74.5 | 0 | 0 | 110.2 | L1233 P1248 Y1448 R1456 I1457 | L1233-M1470 HydrophobicContact CD1-CE 3.89Å; P1248-M1470 HydrophobicContact CB-CB 4.3Å; P1248-M1470 HydrophobicContact CB-CG 3.76Å; P1248-M1470 HydrophobicContact CB-SD 4.26Å; P1248-M1470 HydrophobicContact CG-CG 3.74Å; P1248-M1470 HydrophobicContact CG-SD 4.01Å; Y1448-M1470 HydrophobicContact CD1-CE 3.66Å; Y1448-M1470 HydrophobicContact CE1-CE 3.83Å; R1456-M1470 WeakPolarHBondContact CB-O 3.45Å; I1457-M1470 HydrophobicContact CB-CB 4.42Å; I1457-M1470 HydrophobicContact CB-CE 3.95Å; I1457-M1470 HydrophobicContact CG2-CE 3.51Å; I1457-M1470 PolarHBondContact N-O 2.88Å; I1457-M1470 WeakPolarHBondContact O-CA 3.13Å; I1457-M1470 VanDerWaalsContact O-CB 3.31Å; I1457-M1470 WeakPolarHBondContact O-CB 3.24Å; I1457-M1470 WeakPolarHBondContact O-CG 3.02Å; I1457-M1470 PolarHBondContact O-N 2.59Å |
| 1471 | M | 81.5 | Confident | 76.9 | Confident | 113 Ų | 113 | 46.1 Ų | 46.1 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 135.8 | 173.4 | -69.1 | 177.3 | 170.7 | 0 | 0 | 110.5 | R1244 | R1244-M1471 PolarHBondContact NH1-O 3.39Å; R1244-M1471 PolarHBondContact NH2-O 3.08Å |
| 1472 | P | 74.4 | Confident | 77.1 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 159.1 | 176.3 | 29.2 | -36.1 | 0 | 0 | 0 | 112 | F1235 K1455 L1480 | F1235-P1472 HydrophobicContact CE2-CB 3.73Å; F1235-P1472 HydrophobicContact CZ-CB 3.82Å; K1455-P1472 WeakPolarHBondContact O-CD 3.44Å; P1472-L1480 HydrophobicContact CB-CD1 4.38Å; P1472-L1480 HydrophobicContact CB-CD2 3.76Å; P1472-L1480 HydrophobicContact CG-CD1 4.26Å; P1472-L1480 HydrophobicContact CG-CD2 4.15Å |
| 1473 | A | 64.7 | Low | 77.3 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 152.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1242 Y1251 | V1242-A1473 HydrophobicContact CG1-CB 3.39Å; Y1251-A1473 WeakPolarHBondContact O-CB 3.29Å |
| 1474 | A | 51.9 | Low | 77.7 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 154.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1476 | A1474-G1476 VanDerWaalsContact C-N 3.34Å; A1474-G1476 PolarHBondContact O-N 2.93Å |
| 1475 | G | 47.3 | Very low | 78.3 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 63% | 0.629 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -23.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1254 | Q1254-G1475 VanDerWaalsContact CD-C 3.47Å; Q1254-G1475 PolarHBondContact NE2-O 3.48Å |
| 1476 | G | 53.7 | Low | 79.1 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | trans | -80.2 | 129.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1237 S1240 A1474 | H1237-G1476 PolarHBondContact CE1-O 2.93Å; H1237-G1476 WeakPolarHBondContact ND1-CA 3.48Å; H1237-G1476 PolarHBondContact ND1-O 3.17Å; S1240-G1476 WeakPolarHBondContact OG-CA 3.33Å; A1474-G1476 VanDerWaalsContact C-N 3.34Å; A1474-G1476 PolarHBondContact O-N 2.93Å | ||
| 1477 | S | 58 | Low | 79.3 | Confident | 61 Ų | 61 | 31.7 Ų | 31.7 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | trans | -108.6 | 109.3 | 166.9 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1478 | G | 68.4 | Low | 78.8 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -159.8 | 168.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1237 | H1237-G1478 WeakPolarHBondContact CD2-CA 3.47Å; H1237-G1478 PolarHBondContact CD2-N 2.91Å; H1237-G1478 PolarHBondContact NE2-N 2.76Å; H1237-G1478 PolarHBondContact NE2-O 2.86Å |
| 1479 | K | 85.2 | Confident | 78.3 | Confident | 40 Ų | 40 | 36 Ų | 36 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | trans | -82.4 | 157.3 | 134.3 | -67.1 | -178.5 | 176.7 | -176.8 | 0 | 107.1 | Y988 T989 G1238 W1452 Y1481 | Y988-K1479 WeakPolarHBondContact O-CE 3.41Å; T989-K1479 PolarHBondContact OG1-NZ 3.45Å; G1238-K1479 PolarHBondContact N-O 2.04Å; W1452-K1479 HydrophobicContact CD2-CD 4Å; W1452-K1479 HydrophobicContact CE3-CD 4.12Å; W1452-K1479 HydrophobicContact CH2-CD 4.39Å; W1452-K1479 HydrophobicContact CZ2-CD 4.28Å; W1452-K1479 HydrophobicContact CZ3-CD 4.31Å; K1479-Y1481 HydrophobicContact CB-CE2 3.81Å; K1479-Y1481 VanDerWaalsContact O-CD2 3.31Å; K1479-Y1481 WeakPolarHBondContact O-CD2 3Å; K1479-Y1481 WeakPolarHBondContact O-CE2 2.99Å | ||
| 1480 | L | 90.2 | Very high | 78 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.3 | 177.2 | -61.9 | 171.1 | 0 | 0 | 0 | 109.1 | F1235 S1236 H1237 T1450 W1452 K1455 R1456 I1457 P1472 | F1235-L1480 HydrophobicContact CD2-CD2 3.68Å; F1235-L1480 HydrophobicContact CE2-CD2 3.54Å; S1236-L1480 WeakPolarHBondContact O-CA 3.44Å; H1237-L1480 HydrophobicContact CB-CD2 3.92Å; H1237-L1480 WeakPolarHBondContact CD2-CD2 3.35Å; T1450-L1480 HydrophobicContact CG2-CB 3.74Å; W1452-L1480 VanDerWaalsContact CD1-O 3.29Å; W1452-L1480 PolarHBondContact NE1-O 3.04Å; K1455-L1480 WeakPolarHBondContact O-CD1 3.38Å; R1456-L1480 WeakPolarHBondContact O-CD1 3.31Å; I1457-L1480 HydrophobicContact CG1-CD1 4.17Å; P1472-L1480 HydrophobicContact CB-CD1 4.38Å; P1472-L1480 HydrophobicContact CB-CD2 3.76Å; P1472-L1480 HydrophobicContact CG-CD1 4.26Å; P1472-L1480 HydrophobicContact CG-CD2 4.15Å |
| 1481 | Y | 93.6 | Very high | 77.4 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -111.1 | -176.1 | -55.9 | -104 | 0 | 0 | 0 | 112.1 | A986 S1236 V1262 V1264 F1437 G1438 T1450 W1452 K1479 | A986-Y1481 HydrophobicContact CB-CE2 3.74Å; S1236-Y1481 PolarHBondContact O-N 2.86Å; S1236-Y1481 WeakPolarHBondContact OG-CB 3.19Å; V1262-Y1481 HydrophobicContact CG1-CE1 4.23Å; V1262-Y1481 HydrophobicContact CG1-CE2 3.92Å; V1264-Y1481 HydrophobicContact CB-CD1 4.45Å; V1264-Y1481 HydrophobicContact CG1-CD1 4.13Å; V1264-Y1481 HydrophobicContact CG2-CD1 4.04Å; V1264-Y1481 HydrophobicContact CG2-CE1 4.27Å; F1437-Y1481 VanDerWaalsContact CD1-CA 3.5Å; F1437-Y1481 HydrophobicContact CD1-CD1 4.26Å; F1437-Y1481 HydrophobicContact CD1-CG 4.48Å; F1437-Y1481 AromaticContact CE1-CD1 3.93Å; F1437-Y1481 HydrophobicContact CE1-CD1 3.93Å; F1437-Y1481 HydrophobicContact CE1-CG 4.39Å; F1437-Y1481 HydrophobicContact CE2-CD1 4.27Å; F1437-Y1481 AromaticContact CZ-CD1 3.94Å; F1437-Y1481 HydrophobicContact CZ-CD1 3.94Å; G1438-Y1481 WeakPolarHBondContact CA-O 3.17Å; G1438-Y1481 PolarHBondContact N-O 3.14Å; T1450-Y1481 PolarHBondContact OG1-O 2.8Å; W1452-Y1481 HydrophobicContact CH2-CE1 4.27Å; W1452-Y1481 AromaticContact CZ2-CD1 3.79Å; W1452-Y1481 HydrophobicContact CZ2-CD1 3.79Å; W1452-Y1481 AromaticContact CZ2-CE1 3.6Å; W1452-Y1481 HydrophobicContact CZ2-CE1 3.6Å; K1479-Y1481 HydrophobicContact CB-CE2 3.81Å; K1479-Y1481 VanDerWaalsContact O-CD2 3.31Å; K1479-Y1481 WeakPolarHBondContact O-CD2 3Å; K1479-Y1481 WeakPolarHBondContact O-CE2 2.99Å |
| 1482 | G | 93 | Very high | 76.6 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 145.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1235 S1236 V1264 | F1235-G1482 CarbonylContact C-O 3.48Å; F1235-G1482 WeakPolarHBondContact CA-O 3.08Å; F1235-G1482 WeakPolarHBondContact CB-O 3.3Å; S1236-G1482 PolarHBondContact N-O 2.04Å; S1236-G1482 PolarHBondContact OG-N 2.04Å; S1236-G1482 VanDerWaalsContact OG-N 3.16Å; V1264-G1482 VanDerWaalsContact O-CA 3.23Å; V1264-G1482 WeakPolarHBondContact O-CA 3.05Å; V1264-G1482 PolarHBondContact O-N 2.87Å |
| 1483 | I | 95.2 | Very high | 76.3 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 137.1 | 175.8 | -176.4 | 165.7 | 0 | 0 | 0 | 109.4 | L1233 I1234 F1235 T1440 T1450 I1457 | L1233-I1483 HydrophobicContact CD1-CD1 4.37Å; L1233-I1483 HydrophobicContact CD2-CD1 4.11Å; L1233-I1483 HydrophobicContact CD2-CG1 4.11Å; I1234-I1483 CarbonylContact O-C 3.6Å; I1234-I1483 WeakPolarHBondContact O-CA 3.3Å; F1235-I1483 HydrophobicContact CB-CB 3.94Å; F1235-I1483 HydrophobicContact CB-CD1 4.27Å; F1235-I1483 HydrophobicContact CB-CG1 3.94Å; T1440-I1483 WeakPolarHBondContact CB-O 3.48Å; T1440-I1483 HydrophobicContact CG2-CG1 4.14Å; T1440-I1483 HydrophobicContact CG2-CG2 4.29Å; T1450-I1483 HydrophobicContact CG2-CB 3.86Å; T1450-I1483 HydrophobicContact CG2-CD1 4.11Å; T1450-I1483 HydrophobicContact CG2-CG2 3.99Å; I1457-I1483 HydrophobicContact CD1-CD1 4.13Å; I1457-I1483 HydrophobicContact CG1-CD1 4.36Å; I1457-I1483 HydrophobicContact CG2-CD1 3.4Å; I1457-I1483 VanDerWaalsContact CG2-CD1 3.4Å |
| 1484 | I | 95.1 | Very high | 76.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.8 | 179.8 | 55.4 | 171 | 0 | 0 | 0 | 112.4 | L1233 I1234 L1266 F1268 L1275 I1486 | L1233-I1484 CarbonylContact C-O 3.53Å; L1233-I1484 VanDerWaalsContact CA-O 3.24Å; L1233-I1484 WeakPolarHBondContact CA-O 3.37Å; I1234-I1484 HydrophobicContact CB-CG1 4.13Å; I1234-I1484 PolarHBondContact N-O 3.31Å; I1234-I1484 WeakPolarHBondContact O-CG1 3.25Å; I1234-I1484 PolarHBondContact O-N 3.33Å; L1266-I1484 HydrophobicContact CD1-CD1 4.45Å; L1266-I1484 HydrophobicContact CD2-CD1 4.35Å; L1266-I1484 HydrophobicContact CD2-CG1 4.05Å; L1266-I1484 HydrophobicContact CG-CD1 3.94Å; L1266-I1484 HydrophobicContact CG-CG1 4.08Å; L1266-I1484 WeakPolarHBondContact O-CG2 3.07Å; F1268-I1484 HydrophobicContact CB-CD1 3.69Å; L1275-I1484 HydrophobicContact CD2-CD1 4.03Å; I1484-I1486 HydrophobicContact CD1-CD1 3.78Å; I1484-I1486 HydrophobicContact CG1-CD1 4.27Å |
| 1485 | A | 92.8 | Very high | 78.2 | Confident | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | F1246 T1440 H1442 P1487 | F1246-A1485 HydrophobicContact CE1-CB 3.66Å; F1246-A1485 HydrophobicContact CZ-CB 3.67Å; T1440-A1485 HydrophobicContact CG2-CB 4.12Å; T1440-A1485 PolarHBondContact OG1-N 2.84Å; H1442-A1485 HydrophobicContact CB-CB 4.07Å; A1485-P1487 VanDerWaalsContact O-CD 3.29Å; A1485-P1487 WeakPolarHBondContact O-CD 3.05Å |
| 1486 | I | 90.8 | Very high | 80 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -70.2 | 115.6 | 178.9 | -56.4 | -62.8 | 0 | 0 | 0 | 109.5 | T1232 I1234 F1268 L1275 L1290 I1484 | T1232-I1486 VanDerWaalsContact O-CB 3.32Å; T1232-I1486 WeakPolarHBondContact O-CB 3.5Å; T1232-I1486 WeakPolarHBondContact O-CG1 3.22Å; T1232-I1486 PolarHBondContact O-N 3.16Å; I1234-I1486 HydrophobicContact CD1-CD1 3.9Å; I1234-I1486 HydrophobicContact CD1-CG1 3.84Å; I1234-I1486 HydrophobicContact CG1-CD1 4.14Å; I1234-I1486 HydrophobicContact CG1-CG1 3.82Å; F1268-I1486 HydrophobicContact CB-CD1 3.68Å; F1268-I1486 HydrophobicContact CD1-CD1 3.93Å; F1268-I1486 HydrophobicContact CD1-CG2 4.24Å; F1268-I1486 HydrophobicContact CD2-CD1 3.9Å; F1268-I1486 HydrophobicContact CE1-CG2 3.9Å; F1268-I1486 HydrophobicContact CE2-CD1 4.49Å; F1268-I1486 HydrophobicContact CG-CD1 3.58Å; F1268-I1486 HydrophobicContact CZ-CG2 4.16Å; L1275-I1486 HydrophobicContact CD2-CD1 4.13Å; L1290-I1486 HydrophobicContact CD1-CD1 4.27Å; L1290-I1486 HydrophobicContact CD1-CG1 4.47Å; I1484-I1486 HydrophobicContact CD1-CD1 3.78Å; I1484-I1486 HydrophobicContact CG1-CD1 4.27Å | ||
| 1487 | P | 85.1 | Confident | 81.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 29% | 0.292 | 29% | 0.286 | S | S | . | . | trans | -73.7 | 140.4 | -176 | 31.7 | -36.4 | 0 | 0 | 0 | 111.3 | C1270 A1485 | C1270-P1487 VanDerWaalsContact SG-CG 3.56Å; A1485-P1487 VanDerWaalsContact O-CD 3.29Å; A1485-P1487 WeakPolarHBondContact O-CD 3.05Å | ||
| 1488 | G | 75 | Confident | 82.9 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.2 | -27.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1489 | E | 76.6 | Confident | 83.6 | Confident | 179 Ų | 179 | 55.5 Ų | 55.5 | 84% | 0.836 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -131.1 | 133.7 | 173.6 | -66.1 | -175.7 | 170.6 | 0 | 0 | 109.1 | ||
| 1490 | C | 80.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | trans | -79.7 | 143.2 | 176 | -55.8 | 0 | 0 | 0 | 0 | 111 | R1229 C1270 T1492 | R1229-C1490 PolarHBondContact NH1-SG 2.81Å; C1270-C1490 HydrophobicContact CB-CB 3.91Å; C1270-C1490 WeakPolarHBondContact CB-SG 3.05Å; C1270-C1490 PolarHBondContact O-SG 3.4Å; C1270-C1490 WeakPolarHBondContact SG-CA 2.98Å; C1270-C1490 WeakPolarHBondContact SG-CB 3.42Å; C1270-C1490 CovalentContact SG-SG 2.03Å; C1270-C1490 PolarHBondContact SG-SG 2.88Å; C1490-T1492 PolarHBondContact O-N 3.47Å | ||
| 1491 | M | 72.1 | Confident | 83.3 | Confident | 120 Ų | 120 | 60.1 Ų | 60.1 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | trans | -64.6 | 108.8 | 173.1 | -72.8 | -176.1 | 65 | 0 | 0 | 110.6 | T1401 G1493 | T1401-M1491 HydrophobicContact CG2-CE 4.07Å; M1491-G1493 PolarHBondContact O-N 2.91Å | ||
| 1492 | T | 66.5 | Low | 82.9 | Confident | 148 Ų | 148 | 60.4 Ų | 60.4 | 91% | 0.908 | 35% | 0.347 | S | S | * | . | trans | -73.1 | 108.4 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | C1490 | C1490-T1492 PolarHBondContact O-N 3.47Š| ||
| 1493 | G | 68.1 | Low | 82.6 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | -124 | 132.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1314 M1491 | V1314-G1493 VanDerWaalsContact CG1-O 3.31Å; V1314-G1493 WeakPolarHBondContact CG1-O 3.24Å; M1491-G1493 PolarHBondContact O-N 2.91Å | ||
| 1494 | E | 73 | Confident | 82.3 | Confident | 180 Ų | 180 | 60.5 Ų | 60.5 | 84% | 0.841 | 35% | 0.347 | S | S | * | . | trans | -88.2 | 126.4 | 163.9 | -71.2 | -175.8 | 172.8 | 0 | 0 | 108.7 | ||||
| 1495 | T | 82.5 | Confident | 82 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | trans | -130 | 158.7 | 171.5 | 74.4 | 0 | 0 | 0 | 0 | 110.1 | V1314 N1315 C1497 M1498 | V1314-T1495 HydrophobicContact CG1-CG2 3.78Å; N1315-T1495 VanDerWaalsContact OD1-CB 3.23Å; N1315-T1495 WeakPolarHBondContact OD1-CB 3.01Å; N1315-T1495 WeakPolarHBondContact OD1-CG2 3.34Å; N1315-T1495 PolarHBondContact OD1-OG1 3.01Å; T1495-C1497 PolarHBondContact O-N 3.14Å; T1495-C1497 PolarHBondContact OG1-N 3.44Å; T1495-M1498 WeakPolarHBondContact O-CB 3.04Å; T1495-M1498 PolarHBondContact O-N 2.97Å; T1495-M1498 PolarHBondContact OG1-N 2.03Å | ||
| 1496 | A | 85.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1502 R1516 | A1496-G1502 WeakPolarHBondContact O-CA 3.18Å; A1496-G1502 PolarHBondContact O-N 3.33Å; A1496-R1516 HydrophobicContact CB-CB 3.81Å; A1496-R1516 HydrophobicContact CB-CG 4.14Å |
| 1497 | C | 88.9 | Confident | 82 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -28.2 | 179 | -62.4 | 0 | 0 | 0 | 0 | 114 | N1315 T1495 H1499 N1501 G1502 C1508 V1509 | N1315-C1497 HydrophobicContact CB-CB 4.19Å; T1495-C1497 PolarHBondContact O-N 3.14Å; T1495-C1497 PolarHBondContact OG1-N 3.44Å; C1497-H1499 PolarHBondContact O-N 2.8Å; C1497-H1499 VanDerWaalsContact O-N 3.09Å; C1497-N1501 CarbonylContact O-C 3.45Å; C1497-N1501 VanDerWaalsContact O-CA 3.31Å; C1497-N1501 WeakPolarHBondContact O-CA 3.41Å; C1497-N1501 PolarHBondContact O-N 3.43Å; C1497-G1502 PolarHBondContact O-N 3.28Å; C1497-C1508 WeakPolarHBondContact CA-SG 3.46Å; C1497-C1508 HydrophobicContact CB-CB 3.65Å; C1497-C1508 WeakPolarHBondContact CB-SG 3.3Å; C1497-C1508 WeakPolarHBondContact SG-CB 3.34Å; C1497-C1508 PolarHBondContact SG-O 2.89Å; C1497-C1508 CovalentContact SG-SG 2.04Å; C1497-C1508 PolarHBondContact SG-SG 3.16Å; C1497-V1509 PolarHBondContact SG-N 2.91Å; C1497-V1509 VanDerWaalsContact SG-N 3.37Å |
| 1498 | M | 83.4 | Confident | 82.3 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.4 | -178.3 | -172.3 | -171.5 | 179 | 0 | 0 | 113.6 | T1495 | T1495-M1498 WeakPolarHBondContact O-CB 3.04Å; T1495-M1498 PolarHBondContact O-N 2.97Å; T1495-M1498 PolarHBondContact OG1-N 2.03Å |
| 1499 | H | 82.5 | Confident | 83.2 | Confident | 131 Ų | 131 | 60.5 Ų | 60.5 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 118.6 | 178.2 | -63.4 | -45.8 | 0 | 0 | 0 | 111.5 | C1497 N1501 G1502 | C1497-H1499 PolarHBondContact O-N 2.8Å; C1497-H1499 VanDerWaalsContact O-N 3.09Å; H1499-N1501 VanDerWaalsContact C-N 3.26Å; H1499-N1501 PolarHBondContact O-N 2.88Å; H1499-G1502 WeakPolarHBondContact O-CA 3.33Å; H1499-G1502 PolarHBondContact O-N 2.95Å |
| 1500 | N | 84.4 | Confident | 83.7 | Confident | 127 Ų | 127 | 52.4 Ų | 52.4 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | 53.4 | 38.1 | 176.2 | -163.6 | 69.7 | 0 | 0 | 0 | 113.7 | G1502 G1503 | N1500-G1502 PolarHBondContact O-N 3.26Å; N1500-G1502 VanDerWaalsContact O-N 3.08Å; N1500-G1503 PolarHBondContact O-N 3.31Å |
| 1501 | N | 85.9 | Confident | 83.8 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | 52.2 | 29.9 | -173.5 | -156.7 | 39.8 | 0 | 0 | 0 | 112.8 | C1497 H1499 G1503 C1504 Y1506 C1508 | C1497-N1501 CarbonylContact O-C 3.45Å; C1497-N1501 VanDerWaalsContact O-CA 3.31Å; C1497-N1501 WeakPolarHBondContact O-CA 3.41Å; C1497-N1501 PolarHBondContact O-N 3.43Å; H1499-N1501 VanDerWaalsContact C-N 3.26Å; H1499-N1501 PolarHBondContact O-N 2.88Å; N1501-G1503 PolarHBondContact O-N 2.78Å; N1501-C1504 PolarHBondContact ND2-O 2.92Å; N1501-C1504 WeakPolarHBondContact O-CB 3.05Å; N1501-C1504 PolarHBondContact O-N 2.61Å; N1501-Y1506 PolarHBondContact ND2-O 3.4Å; N1501-C1508 VanDerWaalsContact O-CB 3.23Å; N1501-C1508 WeakPolarHBondContact O-CB 3.04Å; N1501-C1508 PolarHBondContact O-SG 3.5Å; N1501-C1508 VanDerWaalsContact O-SG 3.35Å; N1501-C1508 WeakPolarHBondContact OD1-CB 3.41Å |
| 1502 | G | 85.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | 60.1 | 10.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1496 C1497 H1499 N1500 R1516 | A1496-G1502 WeakPolarHBondContact O-CA 3.18Å; A1496-G1502 PolarHBondContact O-N 3.33Å; C1497-G1502 PolarHBondContact O-N 3.28Å; H1499-G1502 WeakPolarHBondContact O-CA 3.33Å; H1499-G1502 PolarHBondContact O-N 2.95Å; N1500-G1502 PolarHBondContact O-N 3.26Å; N1500-G1502 VanDerWaalsContact O-N 3.08Å; G1502-R1516 PolarHBondContact O-NE 2.86Å |
| 1503 | G | 87.1 | Confident | 84.3 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 69.8 | 40.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1500 N1501 R1516 | N1500-G1503 PolarHBondContact O-N 3.31Å; N1501-G1503 PolarHBondContact O-N 2.78Å; G1503-R1516 PolarHBondContact O-NH2 2.55Å |
| 1504 | C | 88.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | trans | -102.7 | 134.4 | 162.1 | -64.3 | 0 | 0 | 0 | 0 | 109.3 | N1501 Y1506 C1508 R1516 C1518 | N1501-C1504 PolarHBondContact ND2-O 2.92Å; N1501-C1504 WeakPolarHBondContact O-CB 3.05Å; N1501-C1504 PolarHBondContact O-N 2.61Å; C1504-Y1506 VanDerWaalsContact C-N 3.32Å; C1504-Y1506 PolarHBondContact O-N 3.4Å; C1504-C1508 HydrophobicContact CB-CB 3.98Å; C1504-R1516 WeakPolarHBondContact SG-CD 3.44Å; C1504-C1518 WeakPolarHBondContact CA-SG 3.26Å; C1504-C1518 HydrophobicContact CB-CB 3.7Å; C1504-C1518 WeakPolarHBondContact CB-SG 3.37Å; C1504-C1518 WeakPolarHBondContact SG-CA 3.49Å; C1504-C1518 WeakPolarHBondContact SG-CB 3.1Å; C1504-C1518 CovalentContact SG-SG 2.03Å; C1504-C1518 PolarHBondContact SG-SG 2.85Å | ||
| 1505 | K | 87.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -69 | -29.9 | 179 | 177.9 | 176 | 164.6 | -174.1 | 0 | 113.2 | E1528 C1529 | K1505-E1528 HydrophobicContact CD-CG 4.32Å; K1505-E1528 IonicContact NZ-OE1 3Å; K1505-E1528 PolarHBondContact NZ-OE1 2.89Å; K1505-C1529 PolarHBondContact N-O 3.49Å |
| 1506 | Y | 90.9 | Very high | 85.2 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -114 | -95.1 | -173.8 | -63.4 | -96.3 | 0 | 0 | 0 | 111.1 | T1335 H1337 N1501 C1504 L1519 C1520 P1521 V1524 | T1335-Y1506 VanDerWaalsContact CG2-O 3.28Å; T1335-Y1506 WeakPolarHBondContact CG2-O 3.3Å; T1335-Y1506 PolarHBondContact OG1-O 3.49Å; H1337-Y1506 HydrophobicContact CB-CD1 4.2Å; H1337-Y1506 AromaticContact CD2-CD1 3.33Å; H1337-Y1506 WeakPolarHBondContact CD2-CD1 3.34Å; H1337-Y1506 AromaticContact CD2-CE1 3.56Å; H1337-Y1506 AromaticContact CG-CD1 3.74Å; H1337-Y1506 AromaticContact NE2-CD1 3.79Å; H1337-Y1506 AromaticContact NE2-CE1 3.67Å; N1501-Y1506 PolarHBondContact ND2-O 3.4Å; C1504-Y1506 VanDerWaalsContact C-N 3.32Å; C1504-Y1506 PolarHBondContact O-N 3.4Å; Y1506-L1519 WeakPolarHBondContact CB-O 3.43Å; Y1506-C1520 HydrophobicContact CD2-CB 4.06Å; Y1506-C1520 WeakPolarHBondContact CD2-SG 3.44Å; Y1506-C1520 HydrophobicContact CG-CB 4.32Å; Y1506-P1521 VanDerWaalsContact CD1-CD 3.5Å; Y1506-P1521 HydrophobicContact CD1-CG 3.95Å; Y1506-P1521 HydrophobicContact CE1-CG 4.03Å; Y1506-V1524 HydrophobicContact CE1-CG2 4.38Å; Y1506-V1524 HydrophobicContact CE2-CG1 3.73Å; Y1506-V1524 HydrophobicContact CE2-CG2 4.23Å |
| 1507 | V | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.9 | -177.8 | -174 | 0 | 0 | 0 | 0 | 109.6 | I1330 I1339 C1518 L1519 | I1330-V1507 HydrophobicContact CD1-CG1 3.72Å; I1330-V1507 HydrophobicContact CG1-CG1 4.1Å; I1330-V1507 HydrophobicContact CG2-CG1 4.12Å; I1339-V1507 HydrophobicContact CD1-CB 4Å; I1339-V1507 HydrophobicContact CD1-CG2 3.59Å; I1339-V1507 HydrophobicContact CG1-CG2 4.08Å; V1507-C1518 WeakPolarHBondContact O-CA 3.08Å; V1507-L1519 HydrophobicContact CB-CB 4.27Å; V1507-L1519 PolarHBondContact N-O 3.11Å; V1507-L1519 PolarHBondContact O-N 2.97Å |
| 1508 | C | 92.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.2 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | N1317 C1497 N1501 C1504 | N1317-C1508 PolarHBondContact ND2-O 3.1Å; C1497-C1508 WeakPolarHBondContact CA-SG 3.46Å; C1497-C1508 HydrophobicContact CB-CB 3.65Å; C1497-C1508 WeakPolarHBondContact CB-SG 3.3Å; C1497-C1508 WeakPolarHBondContact SG-CB 3.34Å; C1497-C1508 PolarHBondContact SG-O 2.89Å; C1497-C1508 CovalentContact SG-SG 2.04Å; C1497-C1508 PolarHBondContact SG-SG 3.16Å; N1501-C1508 VanDerWaalsContact O-CB 3.23Å; N1501-C1508 WeakPolarHBondContact O-CB 3.04Å; N1501-C1508 PolarHBondContact O-SG 3.5Å; N1501-C1508 VanDerWaalsContact O-SG 3.35Å; N1501-C1508 WeakPolarHBondContact OD1-CB 3.41Å; C1504-C1508 HydrophobicContact CB-CB 3.98Å |
| 1509 | V | 92.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.1 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | I1330 L1378 D1379 C1497 R1517 L1519 | I1330-V1509 HydrophobicContact CD1-CG1 3.39Å; L1378-V1509 HydrophobicContact CB-CB 4.5Å; D1379-V1509 HydrophobicContact CB-CG2 3.55Å; C1497-V1509 PolarHBondContact SG-N 2.91Å; C1497-V1509 VanDerWaalsContact SG-N 3.37Å; V1509-R1517 HydrophobicContact CG2-CB 4.04Å; V1509-R1517 PolarHBondContact N-O 2.03Å; V1509-R1517 PolarHBondContact O-N 2.82Å; V1509-L1519 HydrophobicContact CG1-CD1 4.05Å; V1509-L1519 HydrophobicContact CG2-CD1 4.11Å; V1509-L1519 HydrophobicContact CG2-CG 4.06Å |
| 1510 | P | 89 | Confident | 86.2 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.5 | -179.6 | 32.3 | -35.5 | 0 | 0 | 0 | 110.3 | L1378 | L1378-P1510 HydrophobicContact CD1-CG 3.9Å |
| 1511 | D | 81.2 | Confident | 86.2 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -80.3 | 177.6 | 173.6 | 68 | 34.7 | 0 | 0 | 0 | 111.9 | R1359 H1513 S1514 G1515 R1516 | R1359-D1511 WeakPolarHBondContact CD-O 3.13Å; R1359-D1511 PolarHBondContact NH1-O 3.4Å; D1511-H1513 PolarHBondContact O-N 2.03Å; D1511-H1513 VanDerWaalsContact OD1-C 3.25Å; D1511-H1513 VanDerWaalsContact OD1-CA 3.25Å; D1511-H1513 WeakPolarHBondContact OD1-CA 3.19Å; D1511-H1513 WeakPolarHBondContact OD1-CB 3.23Å; D1511-H1513 PolarHBondContact OD1-N 3.48Å; D1511-S1514 PolarHBondContact OD1-N 3.14Å; D1511-G1515 VanDerWaalsContact CG-C 3.44Å; D1511-G1515 PolarHBondContact N-O 2.04Å; D1511-G1515 PolarHBondContact OD1-N 2.98Å; D1511-G1515 WeakPolarHBondContact OD2-CA 3.4Å; D1511-G1515 PolarHBondContact OD2-N 2.82Å; D1511-R1516 PolarHBondContact OD2-N 3.41Å | ||
| 1512 | S | 74.6 | Confident | 85.9 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -1.8 | 178 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1513 | H | 75.3 | Confident | 85.7 | Confident | 164 Ų | 164 | 54.1 Ų | 54.1 | 76% | 0.759 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 4.1 | -174.4 | -64.6 | 76.9 | 0 | 0 | 0 | 113.4 | D1511 G1515 | D1511-H1513 PolarHBondContact O-N 2.03Å; D1511-H1513 VanDerWaalsContact OD1-C 3.25Å; D1511-H1513 VanDerWaalsContact OD1-CA 3.25Å; D1511-H1513 WeakPolarHBondContact OD1-CA 3.19Å; D1511-H1513 WeakPolarHBondContact OD1-CB 3.23Å; D1511-H1513 PolarHBondContact OD1-N 3.48Å; H1513-G1515 VanDerWaalsContact C-N 3.35Å |
| 1514 | S | 70.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 56% | 0.559 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 70.6 | 21 | -174.1 | -49.8 | 0 | 0 | 0 | 0 | 116.1 | R1359 D1511 | R1359-S1514 PolarHBondContact NH1-OG 2.78Å; R1359-S1514 PolarHBondContact NH2-OG 3.15Å; D1511-S1514 PolarHBondContact OD1-N 3.14Å |
| 1515 | G | 83.7 | Confident | 85.1 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | trans | -85.1 | -157.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1511 H1513 | D1511-G1515 VanDerWaalsContact CG-C 3.44Å; D1511-G1515 PolarHBondContact N-O 2.04Å; D1511-G1515 PolarHBondContact OD1-N 2.98Å; D1511-G1515 WeakPolarHBondContact OD2-CA 3.4Å; D1511-G1515 PolarHBondContact OD2-N 2.82Å; H1513-G1515 VanDerWaalsContact C-N 3.35Å | ||
| 1516 | R | 87.8 | Confident | 84.5 | Confident | 67 Ų | 67 | 61 Ų | 61 | 25% | 0.253 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.5 | -179.6 | 64.4 | 110.1 | 179.3 | 115.9 | -26.4 | 112.2 | A1496 G1502 G1503 C1504 D1511 C1518 N1530 | A1496-R1516 HydrophobicContact CB-CB 3.81Å; A1496-R1516 HydrophobicContact CB-CG 4.14Å; G1502-R1516 PolarHBondContact O-NE 2.86Å; G1503-R1516 PolarHBondContact O-NH2 2.55Å; C1504-R1516 WeakPolarHBondContact SG-CD 3.44Å; D1511-R1516 PolarHBondContact OD2-N 3.41Å; R1516-C1518 PolarHBondContact NH1-SG 2.87Å; R1516-N1530 PolarHBondContact NH1-OD1 3.29Å |
| 1517 | R | 90.4 | Very high | 83.9 | Confident | 114 Ų | 114 | 63 Ų | 63 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.8 | 166.8 | -174.8 | 176.6 | -174.6 | 159.6 | 3.9 | 109.1 | D1379 V1509 | D1379-R1517 WeakPolarHBondContact OD2-CD 3.07Å; D1379-R1517 IonicContact OD2-CZ 3.18Å; D1379-R1517 IonicContact OD2-NE 2.73Å; D1379-R1517 IonicContact OD2-NH1 2.76Å; D1379-R1517 PolarHBondContact OD2-NH1 2.84Å; V1509-R1517 HydrophobicContact CG2-CB 4.04Å; V1509-R1517 PolarHBondContact N-O 2.03Å; V1509-R1517 PolarHBondContact O-N 2.82Å |
| 1518 | C | 91.3 | Very high | 83.3 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.1 | 166.6 | -54.1 | 0 | 0 | 0 | 0 | 109 | C1504 V1507 R1516 C1529 N1530 | C1504-C1518 WeakPolarHBondContact CA-SG 3.26Å; C1504-C1518 HydrophobicContact CB-CB 3.7Å; C1504-C1518 WeakPolarHBondContact CB-SG 3.37Å; C1504-C1518 WeakPolarHBondContact SG-CA 3.49Å; C1504-C1518 WeakPolarHBondContact SG-CB 3.1Å; C1504-C1518 CovalentContact SG-SG 2.03Å; C1504-C1518 PolarHBondContact SG-SG 2.85Å; V1507-C1518 WeakPolarHBondContact O-CA 3.08Å; R1516-C1518 PolarHBondContact NH1-SG 2.87Å; C1518-C1529 VanDerWaalsContact CB-SG 3.55Å; C1518-N1530 PolarHBondContact SG-OD1 2.8Å; C1518-N1530 VanDerWaalsContact SG-OD1 3.38Å |
| 1519 | L | 91.1 | Very high | 82.6 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.9 | 164.6 | -60.5 | 174.6 | 0 | 0 | 0 | 107.7 | I1330 I1339 I1341 D1379 Y1506 V1507 V1509 | I1330-L1519 HydrophobicContact CD1-CD1 4.41Å; I1330-L1519 HydrophobicContact CG2-CD1 3.95Å; I1339-L1519 HydrophobicContact CD1-CB 3.63Å; I1339-L1519 VanDerWaalsContact CD1-O 3.24Å; I1339-L1519 WeakPolarHBondContact CD1-O 3.48Å; I1341-L1519 HydrophobicContact CG2-CD1 4.08Å; D1379-L1519 HydrophobicContact CB-CD2 4.29Å; Y1506-L1519 WeakPolarHBondContact CB-O 3.43Å; V1507-L1519 HydrophobicContact CB-CB 4.27Å; V1507-L1519 PolarHBondContact N-O 3.11Å; V1507-L1519 PolarHBondContact O-N 2.97Å; V1509-L1519 HydrophobicContact CG1-CD1 4.05Å; V1509-L1519 HydrophobicContact CG2-CD1 4.11Å; V1509-L1519 HydrophobicContact CG2-CG 4.06Å |
| 1520 | C | 87.7 | Confident | 82 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | trans | -138.4 | 158.7 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | I1339 Y1506 V1524 C1529 | I1339-C1520 VanDerWaalsContact CD1-CA 3.47Å; I1339-C1520 VanDerWaalsContact CD1-N 3.35Å; Y1506-C1520 HydrophobicContact CD2-CB 4.06Å; Y1506-C1520 WeakPolarHBondContact CD2-SG 3.44Å; Y1506-C1520 HydrophobicContact CG-CB 4.32Å; C1520-V1524 HydrophobicContact CB-CB 4.08Å; C1520-V1524 HydrophobicContact CB-CG1 4.12Å; C1520-C1529 HydrophobicContact CB-CB 3.77Å; C1520-C1529 WeakPolarHBondContact CB-SG 3.29Å; C1520-C1529 WeakPolarHBondContact SG-CA 3.32Å; C1520-C1529 WeakPolarHBondContact SG-CB 3.33Å; C1520-C1529 CovalentContact SG-SG 2.02Å; C1520-C1529 PolarHBondContact SG-SG 3.49Å | ||
| 1521 | P | 85.4 | Confident | 80.9 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | trans | -56.3 | 152.9 | 172 | -23.2 | 33.6 | 0 | 0 | 0 | 112 | Y1506 D1523 V1524 | Y1506-P1521 VanDerWaalsContact CD1-CD 3.5Å; Y1506-P1521 HydrophobicContact CD1-CG 3.95Å; Y1506-P1521 HydrophobicContact CE1-CG 4.03Å; P1521-D1523 PolarHBondContact O-N 3.31Å; P1521-D1523 VanDerWaalsContact O-N 3.16Å; P1521-V1524 HydrophobicContact CB-CG2 4.18Å; P1521-V1524 HydrophobicContact CG-CG2 4.29Å; P1521-V1524 WeakPolarHBondContact O-CB 3.09Å; P1521-V1524 PolarHBondContact O-N 3.1Å | ||
| 1522 | E | 79.8 | Confident | 79.6 | Confident | 159 Ų | 159 | 80.2 Ų | 80.2 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.6 | -174.7 | -68.4 | 163.9 | 138.9 | 0 | 0 | 113.5 | K1343 V1524 | K1343-E1522 IonicContact NZ-OE1 2.76Å; K1343-E1522 PolarHBondContact NZ-OE1 3.07Å; K1343-E1522 IonicContact NZ-OE2 2.71Å; K1343-E1522 PolarHBondContact NZ-OE2 3.03Å; E1522-V1524 PolarHBondContact O-N 2.96Å |
| 1523 | D | 81.5 | Confident | 79.9 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 66% | 0.663 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.5 | 174.2 | -72.3 | -31.4 | 0 | 0 | 0 | 114.3 | R703 P1521 | R703-D1523 IonicContact CZ-OD2 2.85Å; R703-D1523 IonicContact NH1-OD2 3.97Å; R703-D1523 PolarHBondContact NH1-OD2 3.19Å; R703-D1523 IonicContact NH2-OD1 2.92Å; R703-D1523 PolarHBondContact NH2-OD1 2.84Å; R703-D1523 IonicContact NH2-OD2 3.92Å; R703-D1523 PolarHBondContact NH2-OD2 3.07Å; P1521-D1523 PolarHBondContact O-N 3.31Å; P1521-D1523 VanDerWaalsContact O-N 3.16Å |
| 1524 | V | 81.7 | Confident | 80.1 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -107.4 | 127 | -166.9 | 180 | 0 | 0 | 0 | 0 | 112.3 | Y1506 C1520 P1521 E1522 E1528 | Y1506-V1524 HydrophobicContact CE1-CG2 4.38Å; Y1506-V1524 HydrophobicContact CE2-CG1 3.73Å; Y1506-V1524 HydrophobicContact CE2-CG2 4.23Å; C1520-V1524 HydrophobicContact CB-CB 4.08Å; C1520-V1524 HydrophobicContact CB-CG1 4.12Å; P1521-V1524 HydrophobicContact CB-CG2 4.18Å; P1521-V1524 HydrophobicContact CG-CG2 4.29Å; P1521-V1524 WeakPolarHBondContact O-CB 3.09Å; P1521-V1524 PolarHBondContact O-N 3.1Å; E1522-V1524 PolarHBondContact O-N 2.96Å; V1524-E1528 HydrophobicContact CG1-CB 4.16Å; V1524-E1528 HydrophobicContact CG1-CG 4.21Å |
| 1525 | S | 80.6 | Confident | 80.7 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | trans | -65.2 | 143.1 | 179.1 | 75 | 0 | 0 | 0 | 0 | 113.2 | A1527 E1528 C1529 | S1525-A1527 PolarHBondContact O-N 2.04Å; S1525-A1527 VanDerWaalsContact O-N 3.1Å; S1525-E1528 PolarHBondContact O-N 3.44Å; S1525-E1528 WeakPolarHBondContact OG-CB 3.36Å; S1525-E1528 PolarHBondContact OG-N 3.47Å; S1525-C1529 WeakPolarHBondContact O-CB 3.31Å; S1525-C1529 PolarHBondContact O-N 2.75Å | ||
| 1526 | E | 75.3 | Confident | 80.5 | Confident | 162 Ų | 162 | 77 Ų | 77 | 76% | 0.757 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.7 | -30.2 | 177.9 | -173.9 | 178.8 | -155.1 | 0 | 0 | 112.9 | C1529 N1530 | E1526-C1529 WeakPolarHBondContact O-CB 3.46Å; E1526-N1530 PolarHBondContact O-N 2.75Å; E1526-N1530 PolarHBondContact O-ND2 2.79Å |
| 1527 | A | 78.3 | Confident | 80.1 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.6 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | S1525 Q1531 | S1525-A1527 PolarHBondContact O-N 2.04Å; S1525-A1527 VanDerWaalsContact O-N 3.1Å; A1527-Q1531 WeakPolarHBondContact O-CG 3.17Å; A1527-Q1531 PolarHBondContact O-NE2 3.49Å |
| 1528 | E | 79.3 | Confident | 79.4 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77.4 | -37.5 | 173.3 | -176.7 | -179.5 | 170.4 | 0 | 0 | 111.4 | K1505 V1524 S1525 N1530 Q1531 | K1505-E1528 HydrophobicContact CD-CG 4.32Å; K1505-E1528 IonicContact NZ-OE1 3Å; K1505-E1528 PolarHBondContact NZ-OE1 2.89Å; V1524-E1528 HydrophobicContact CG1-CB 4.16Å; V1524-E1528 HydrophobicContact CG1-CG 4.21Å; S1525-E1528 PolarHBondContact O-N 3.44Å; S1525-E1528 WeakPolarHBondContact OG-CB 3.36Å; S1525-E1528 PolarHBondContact OG-N 3.47Å; E1528-N1530 PolarHBondContact O-N 3.11Å; E1528-Q1531 PolarHBondContact O-N 2.74Å; E1528-Q1531 VanDerWaalsContact O-N 3.12Å |
| 1529 | C | 78 | Confident | 78.5 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -53.9 | -37.2 | 176.9 | -172.2 | 0 | 0 | 0 | 0 | 113.3 | K1505 C1518 C1520 S1525 E1526 | K1505-C1529 PolarHBondContact N-O 3.49Å; C1518-C1529 VanDerWaalsContact CB-SG 3.55Å; C1520-C1529 HydrophobicContact CB-CB 3.77Å; C1520-C1529 WeakPolarHBondContact CB-SG 3.29Å; C1520-C1529 WeakPolarHBondContact SG-CA 3.32Å; C1520-C1529 WeakPolarHBondContact SG-CB 3.33Å; C1520-C1529 CovalentContact SG-SG 2.02Å; C1520-C1529 PolarHBondContact SG-SG 3.49Å; S1525-C1529 WeakPolarHBondContact O-CB 3.31Å; S1525-C1529 PolarHBondContact O-N 2.75Å; E1526-C1529 WeakPolarHBondContact O-CB 3.46Å |
| 1530 | N | 79.2 | Confident | 77.5 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.1 | -178.1 | -74.8 | -84.7 | 0 | 0 | 0 | 114.4 | R1516 C1518 E1526 E1528 | R1516-N1530 PolarHBondContact NH1-OD1 3.29Å; C1518-N1530 PolarHBondContact SG-OD1 2.8Å; C1518-N1530 VanDerWaalsContact SG-OD1 3.38Å; E1526-N1530 PolarHBondContact O-N 2.75Å; E1526-N1530 PolarHBondContact O-ND2 2.79Å; E1528-N1530 PolarHBondContact O-N 3.11Å |
| 1531 | Q | 65.7 | Low | 76.7 | Confident | 124 Ų | 124 | 89.1 Ų | 89.1 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | trans | -79.8 | 150.8 | 175.4 | -88.3 | 166.1 | 60.3 | 0 | 0 | 112.1 | A1527 E1528 | A1527-Q1531 WeakPolarHBondContact O-CG 3.17Å; A1527-Q1531 PolarHBondContact O-NE2 3.49Å; E1528-Q1531 PolarHBondContact O-N 2.74Å; E1528-Q1531 VanDerWaalsContact O-N 3.12Å | ||
| 1532 | V | 55.6 | Low | 75.9 | Confident | 164 Ų | 164 | 93.4 Ų | 93.4 | 99% | 0.994 | 51% | 0.508 | S | S | * | . | trans | -125 | 0 | -174.4 | -166.8 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 1,532 of 1,532 residues in 294.5 ms
(Link to these results)