| 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 | 34.4 | Very low | 74.2 | Confident | 99 Ų | 99 | 34.8 Ų | 34.8 | 49% | 0.488 | 22% | 0.217 | S | C | . | . | 0 | 157.4 | 0 | -62.6 | 171.2 | 73.2 | 0 | 0 | 107.9 | C5 H49 | M1-C5 HydrophobicContact CE-CB 4.28Å; M1-C5 VanDerWaalsContact CE-O 3.26Å; M1-C5 WeakPolarHBondContact CE-O 3.15Å; M1-H49 PolarHBondContact SD-CE1 3.38Å | |||
| 2 | S | 38.6 | Very low | 75.5 | Confident | 83 Ų | 83 | 33 Ų | 33 | 58% | 0.58 | 21% | 0.207 | S | C | * | . | trans | -65.3 | 140.9 | 166.2 | 44.5 | 0 | 0 | 0 | 0 | 109.8 | G4 C5 | S2-G4 PolarHBondContact O-N 3.45Å; S2-C5 PolarHBondContact O-N 3.47Å | ||
| 3 | P | 48.3 | Very low | 76.7 | Confident | 138 Ų | 138 | 31.2 Ų | 31.2 | 90% | 0.896 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 120.1 | 172.8 | 26.2 | -32.7 | 0 | 0 | 0 | 108.9 | ||
| 4 | G | 68.1 | Low | 77.5 | Confident | 16 Ų | 16 | 30.9 Ų | 30.9 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.9 | -7.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S2 F184 | S2-G4 PolarHBondContact O-N 3.45Å; G4-F184 WeakPolarHBondContact O-CE1 3.2Å |
| 5 | C | 81.4 | Confident | 78.2 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | trans | -99.2 | 122.1 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | M1 S2 | M1-C5 HydrophobicContact CE-CB 4.28Å; M1-C5 VanDerWaalsContact CE-O 3.26Å; M1-C5 WeakPolarHBondContact CE-O 3.15Å; S2-C5 PolarHBondContact O-N 3.47Å | ||
| 6 | L | 88.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 139.3 | 174.8 | 176.5 | 63.3 | 0 | 0 | 0 | 110.3 | I8 T48 I54 Y180 A181 F184 W205 V230 | L6-I8 HydrophobicContact CD2-CD1 4.06Å; L6-I8 HydrophobicContact CD2-CG1 4.36Å; L6-I8 HydrophobicContact CG-CD1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.12Å; L6-T48 HydrophobicContact CD1-CG2 4.47Å; L6-I54 HydrophobicContact CD1-CD1 4.34Å; L6-I54 HydrophobicContact CD2-CD1 4.04Å; L6-Y180 WeakPolarHBondContact O-CA 3.41Å; L6-A181 PolarHBondContact N-O 3.1Å; L6-A181 PolarHBondContact O-N 2.95Å; L6-F184 HydrophobicContact CB-CD1 3.57Å; L6-F184 HydrophobicContact CB-CE1 3.45Å; L6-F184 VanDerWaalsContact CB-CE1 3.45Å; L6-F184 HydrophobicContact CB-CG 4.23Å; L6-F184 HydrophobicContact CB-CZ 3.99Å; L6-F184 HydrophobicContact CD2-CB 4.4Å; L6-F184 HydrophobicContact CD2-CD1 4.13Å; L6-F184 HydrophobicContact CD2-CD2 4.1Å; L6-F184 HydrophobicContact CD2-CE2 4.48Å; L6-F184 HydrophobicContact CD2-CG 3.93Å; L6-W205 HydrophobicContact CD1-CH2 4.32Å; L6-W205 HydrophobicContact CD1-CZ2 4.08Å; L6-V230 HydrophobicContact CD2-CG1 4.31Å; L6-V230 HydrophobicContact CD2-CG2 4.12Å |
| 7 | S | 90.5 | Very high | 79.1 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.9 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | T48 H49 L179 | S7-T48 WeakPolarHBondContact O-CA 3.45Å; S7-H49 PolarHBondContact OG-ND1 2.96Å; S7-L179 CarbonylContact C-O 3.5Å; S7-L179 WeakPolarHBondContact CA-O 3.19Å |
| 8 | I | 92.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.2 | -175.3 | -54.5 | 178.7 | 0 | 0 | 0 | 110 | L6 I10 T47 I54 A56 L178 L179 I232 | L6-I8 HydrophobicContact CD2-CD1 4.06Å; L6-I8 HydrophobicContact CD2-CG1 4.36Å; L6-I8 HydrophobicContact CG-CD1 4.36Å; L6-I8 HydrophobicContact CG-CG1 4.12Å; I8-I10 PolarHBondContact O-N 3.2Å; I8-T47 CarbonylContact C-O 3.6Å; I8-T47 WeakPolarHBondContact CA-O 3.34Å; I8-I54 HydrophobicContact CB-CG2 4.46Å; I8-I54 HydrophobicContact CD1-CD1 3.93Å; I8-I54 HydrophobicContact CD1-CG1 4.3Å; I8-I54 HydrophobicContact CD1-CG2 4.28Å; I8-I54 HydrophobicContact CG1-CD1 4.29Å; I8-I54 HydrophobicContact CG1-CG2 4.11Å; I8-I54 HydrophobicContact CG2-CG2 3.74Å; I8-A56 HydrophobicContact CD1-CB 3.71Å; I8-L178 CarbonylContact O-C 3.6Å; I8-L178 WeakPolarHBondContact O-CA 3.26Å; I8-L179 PolarHBondContact N-O 2.9Å; I8-L179 PolarHBondContact O-N 3.29Å; I8-I232 HydrophobicContact CD1-CD1 4.41Å |
| 9 | K | 91 | Very high | 79.5 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 111.2 | 170.7 | -173.5 | -179.4 | -180 | 179.7 | 0 | 109 | F11 G46 T47 M176 N177 L178 D1087 | K9-F11 PolarHBondContact O-N 2.58Å; K9-G46 WeakPolarHBondContact O-CA 3.42Å; K9-T47 PolarHBondContact N-O 3.45Å; K9-T47 PolarHBondContact O-N 2.89Å; K9-M176 WeakPolarHBondContact CE-O 3.47Å; K9-N177 WeakPolarHBondContact CA-O 3.43Å; K9-L178 HydrophobicContact CB-CD2 4.03Å; K9-D1087 IonicContact NZ-OD1 3.1Å; K9-D1087 PolarHBondContact NZ-OD1 3.35Å; K9-D1087 IonicContact NZ-OD2 3.96Å; K9-D1087 PolarHBondContact NZ-OD2 2.99Å |
| 10 | I | 92.1 | Very high | 79.6 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117 | -176.5 | -56.8 | 175.9 | 0 | 0 | 0 | 109.9 | I8 L13 V44 L173 M176 N177 L179 | I8-I10 PolarHBondContact O-N 3.2Å; I10-L13 HydrophobicContact CG2-CD2 3.92Å; I10-L13 HydrophobicContact CG2-CG 4.25Å; I10-V44 HydrophobicContact CB-CG1 4.44Å; I10-V44 HydrophobicContact CG1-CG1 3.95Å; I10-V44 HydrophobicContact CG2-CG1 4.19Å; I10-L173 HydrophobicContact CD1-CB 3.8Å; I10-L173 HydrophobicContact CD1-CD1 4.17Å; I10-L173 HydrophobicContact CD1-CD2 4.26Å; I10-L173 HydrophobicContact CD1-CG 4.29Å; I10-M176 VanDerWaalsContact O-CA 3.25Å; I10-M176 WeakPolarHBondContact O-CA 3.38Å; I10-M176 PolarHBondContact O-N 3.35Å; I10-N177 PolarHBondContact N-O 3.32Å; I10-L179 HydrophobicContact CD1-CB 4.18Å; I10-L179 HydrophobicContact CG1-CB 4.15Å |
| 11 | F | 90.6 | Very high | 79.7 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -48.6 | 173.9 | 177.8 | -106 | 0 | 0 | 0 | 112 | K9 Y45 M176 E1226 I1227 V1372 F1461 | K9-F11 PolarHBondContact O-N 2.58Å; F11-Y45 PolarHBondContact N-O 3.03Å; F11-M176 HydrophobicContact CB-SD 4.48Å; F11-M176 HydrophobicContact CD2-CE 4.19Å; F11-M176 HydrophobicContact CD2-SD 3.75Å; F11-E1226 HydrophobicContact CD1-CB 4.21Å; F11-E1226 HydrophobicContact CD1-CG 3.66Å; F11-E1226 HydrophobicContact CD2-CB 4.49Å; F11-E1226 HydrophobicContact CD2-CG 3.96Å; F11-E1226 HydrophobicContact CE1-CB 3.66Å; F11-E1226 HydrophobicContact CE1-CG 3.65Å; F11-E1226 HydrophobicContact CE2-CB 4Å; F11-E1226 HydrophobicContact CE2-CG 3.97Å; F11-E1226 HydrophobicContact CG-CG 3.83Å; F11-E1226 HydrophobicContact CZ-CB 3.57Å; F11-E1226 HydrophobicContact CZ-CG 3.84Å; F11-I1227 HydrophobicContact CE2-CG1 4.41Å; F11-I1227 HydrophobicContact CZ-CD1 4.48Å; F11-I1227 HydrophobicContact CZ-CG1 3.88Å; F11-V1372 HydrophobicContact CE1-CB 4.21Å; F11-V1372 HydrophobicContact CE1-CG2 3.57Å; F11-V1372 HydrophobicContact CZ-CB 4Å; F11-V1372 HydrophobicContact CZ-CG2 3.6Å; F11-F1461 HydrophobicContact CD2-CB 4.39Å; F11-F1461 HydrophobicContact CD2-CG 4.48Å; F11-F1461 HydrophobicContact CE2-CB 4.23Å; F11-F1461 AromaticContact CE2-CD1 3.87Å; F11-F1461 HydrophobicContact CE2-CD1 3.87Å; F11-F1461 HydrophobicContact CE2-CD2 4.43Å; F11-F1461 HydrophobicContact CE2-CE1 4.36Å; F11-F1461 AromaticContact CE2-CG 3.92Å; F11-F1461 HydrophobicContact CE2-CG 3.92Å; F11-F1461 HydrophobicContact CZ-CD1 4.2Å |
| 12 | S | 90 | Very high | 81.8 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 148.8 | -177.1 | 173 | 0 | 0 | 0 | 0 | 111 | Y45 | S12-Y45 PolarHBondContact N-O 3.41Å; S12-Y45 PolarHBondContact O-N 3.23Å |
| 13 | L | 91.1 | Very high | 83.7 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.3 | 176.3 | -55.3 | 173.2 | 0 | 0 | 0 | 110.2 | I10 R43 V44 L164 F167 C168 E1460 | I10-L13 HydrophobicContact CG2-CD2 3.92Å; I10-L13 HydrophobicContact CG2-CG 4.25Å; L13-R43 WeakPolarHBondContact CA-O 3.21Å; L13-V44 HydrophobicContact CD2-CB 4.06Å; L13-V44 HydrophobicContact CD2-CG1 3.92Å; L13-V44 HydrophobicContact CD2-CG2 3.75Å; L13-L164 HydrophobicContact CB-CD1 4.1Å; L13-L164 HydrophobicContact CB-CD2 4.32Å; L13-L164 HydrophobicContact CD1-CB 4.5Å; L13-F167 HydrophobicContact CD1-CD1 4.46Å; L13-C168 WeakPolarHBondContact CD1-SG 3.45Å; L13-E1460 HydrophobicContact CB-CG 4.46Å; L13-E1460 WeakPolarHBondContact CB-OE2 3.45Å; L13-E1460 HydrophobicContact CD1-CG 3.91Å; L13-E1460 HydrophobicContact CG-CG 3.97Å; L13-E1460 PolarHBondContact N-OE2 2.78Å |
| 14 | D | 87.9 | Confident | 85.3 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | -177.8 | 158.2 | 79.1 | 41.8 | 0 | 0 | 0 | 110.5 | I42 R43 Y45 | D14-I42 CarbonylContact O-C 3.57Å; D14-I42 WeakPolarHBondContact O-CA 3.21Å; D14-I42 WeakPolarHBondContact O-CG2 3.47Å; D14-R43 PolarHBondContact N-O 3.28Å; D14-R43 PolarHBondContact O-N 3.22Å; D14-R43 IonicContact OD1-CZ 2.99Å; D14-R43 IonicContact OD1-NE 2.67Å; D14-R43 PolarHBondContact OD1-NE 2.84Å; D14-R43 IonicContact OD1-NH2 3Å; D14-R43 PolarHBondContact OD1-NH2 3.06Å; D14-R43 IonicContact OD2-CZ 2.72Å; D14-R43 IonicContact OD2-NE 3.11Å; D14-R43 IonicContact OD2-NH2 2.81Å; D14-R43 PolarHBondContact OD2-NH2 3.48Å; D14-Y45 HydrophobicContact CB-CE2 4.42Å; D14-Y45 WeakPolarHBondContact OD2-CE2 3.38Å; D14-Y45 PolarHBondContact OD2-OH 3.29Å |
| 15 | Y | 88.4 | Confident | 86 | Confident | 41 Ų | 41 | 34.8 Ų | 34.8 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.8 | 167.3 | 71.6 | -81.4 | 0 | 0 | 0 | 111.2 | F17 V41 P134 Y163 L164 | Y15-F17 HydrophobicContact CE2-CE2 4.32Å; Y15-F17 HydrophobicContact CE2-CZ 4.22Å; Y15-V41 CarbonylContact C-O 3.59Å; Y15-V41 VanDerWaalsContact CA-O 3.25Å; Y15-V41 WeakPolarHBondContact CA-O 3.44Å; Y15-V41 WeakPolarHBondContact CB-O 3.42Å; Y15-P134 HydrophobicContact CD2-CG 4.18Å; Y15-P134 HydrophobicContact CE1-CG 4.45Å; Y15-P134 HydrophobicContact CE2-CB 4.36Å; Y15-P134 HydrophobicContact CE2-CG 3.68Å; Y15-Y163 HydrophobicContact CD1-CD1 4.13Å; Y15-Y163 HydrophobicContact CD1-CE1 4.29Å; Y15-Y163 HydrophobicContact CD2-CE1 4.44Å; Y15-Y163 HydrophobicContact CE1-CD1 4.47Å; Y15-Y163 HydrophobicContact CG-CD1 4.31Å; Y15-Y163 HydrophobicContact CG-CE1 4.02Å; Y15-L164 HydrophobicContact CD1-CD2 4.45Å |
| 16 | Y | 85.8 | Confident | 85.8 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 167.7 | 171.7 | 71.6 | -75.4 | 0 | 0 | 0 | 110.4 | V41 R43 N57 R187 | Y16-V41 HydrophobicContact CD1-CB 4.24Å; Y16-V41 HydrophobicContact CD1-CG1 4.47Å; Y16-V41 WeakPolarHBondContact CD1-O 3.31Å; Y16-V41 HydrophobicContact CE1-CB 3.84Å; Y16-V41 HydrophobicContact CE1-CG1 3.69Å; Y16-V41 PolarHBondContact N-O 2.81Å; Y16-V41 PolarHBondContact O-N 2.82Å; Y16-R43 HydrophobicContact CD1-CG 3.82Å; Y16-R43 HydrophobicContact CE1-CG 3.64Å; Y16-N57 WeakPolarHBondContact CE1-OD1 3.3Å; Y16-N57 PolarHBondContact OH-OD1 3.01Å; Y16-N57 VanDerWaalsContact OH-OD1 3.05Å; Y16-R187 PolarHBondContact OH-NH1 3.39Å; Y16-R187 PolarHBondContact OH-NH2 3.43Å; Y16-R187 VanDerWaalsContact OH-NH2 3.13Å |
| 17 | F | 85.4 | Confident | 85.4 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.7 | 172.1 | -66.7 | -71.3 | 0 | 0 | 0 | 110.8 | Y15 R38 I39 P40 D133 | Y15-F17 HydrophobicContact CE2-CE2 4.32Å; Y15-F17 HydrophobicContact CE2-CZ 4.22Å; F17-R38 HydrophobicContact CB-CB 4.27Å; F17-R38 HydrophobicContact CD1-CB 4.36Å; F17-I39 VanDerWaalsContact CA-O 3.29Å; F17-I39 WeakPolarHBondContact CA-O 3.41Å; F17-P40 HydrophobicContact CE1-CB 4.27Å; F17-D133 HydrophobicContact CZ-CB 4.14Å |
| 18 | S | 81.8 | Confident | 85.2 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 167.6 | 171.5 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | R38 I39 V41 | S18-R38 CarbonylContact O-C 3.47Å; S18-R38 WeakPolarHBondContact O-CA 3.21Å; S18-I39 PolarHBondContact N-O 2.91Å; S18-I39 WeakPolarHBondContact O-CG1 3.34Å; S18-I39 PolarHBondContact O-N 3.25Å; S18-V41 WeakPolarHBondContact OG-CG2 3.35Å |
| 19 | L | 83.5 | Confident | 84.8 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 56% | 0.56 | 23% | 0.229 | S | C | * | . | trans | -64.3 | 150.8 | 157.4 | -74.2 | 161.1 | 0 | 0 | 0 | 109.3 | H37 | L19-H37 WeakPolarHBondContact CD2-O 3.29Š| ||
| 20 | P | 82.9 | Confident | 84.5 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | trans | -57.9 | 135.4 | 171.8 | -23.2 | 33.5 | 0 | 0 | 0 | 112.2 | D25 S36 I39 | P20-D25 HydrophobicContact CB-CB 4.18Å; P20-S36 WeakPolarHBondContact CG-O 3.47Å; P20-I39 HydrophobicContact CB-CD1 4.39Å; P20-I39 HydrophobicContact CG-CG1 4.46Å; P20-I39 HydrophobicContact CG-CG2 4.13Å | ||
| 21 | N | 82.1 | Confident | 84 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | trans | -89.5 | 112.9 | 171.4 | 178.2 | -8.2 | 0 | 0 | 0 | 109.5 | L23 L24 D25 I220 | N21-L23 PolarHBondContact O-N 3.43Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 2.82Å; N21-L24 HydrophobicContact CB-CB 4.4Å; N21-L24 PolarHBondContact O-N 3.32Å; N21-D25 WeakPolarHBondContact CB-OD2 3.42Å; N21-D25 PolarHBondContact N-OD2 3.28Å; N21-D25 PolarHBondContact O-N 2.86Å; N21-I220 HydrophobicContact CB-CD1 4.26Å; N21-I220 VanDerWaalsContact CG-CD1 3.47Å; N21-I220 VanDerWaalsContact ND2-CD1 3.27Å; N21-I220 WeakPolarHBondContact ND2-CD1 3.27Å | ||
| 22 | D | 77.7 | Confident | 83.4 | Confident | 161 Ų | 161 | 52.1 Ų | 52.1 | 86% | 0.861 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -17.4 | -179.1 | -64.8 | -38.4 | 0 | 0 | 0 | 114.5 | ||
| 23 | L | 79 | Confident | 83 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.3 | 178.5 | -59.4 | 177.9 | 0 | 0 | 0 | 115 | N21 R185 P217 | N21-L23 PolarHBondContact O-N 3.43Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 2.82Å; L23-R185 PolarHBondContact O-NH1 2.96Å; L23-P217 HydrophobicContact CD1-CG 3.47Å; L23-P217 VanDerWaalsContact CD1-CG 3.47Å |
| 24 | L | 80.9 | Confident | 82.7 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | -27.9 | -172.7 | -67.5 | 178.4 | 0 | 0 | 0 | 115.1 | N21 H59 D231 | N21-L24 HydrophobicContact CB-CB 4.4Å; N21-L24 PolarHBondContact O-N 3.32Å; L24-H59 HydrophobicContact CB-CB 4.01Å; L24-H59 HydrophobicContact CD1-CB 4.37Å; L24-D231 HydrophobicContact CD1-CB 3.62Å |
| 25 | D | 83.6 | Confident | 82.4 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | trans | -115 | 147.8 | -173.5 | -59 | -64.3 | 0 | 0 | 0 | 112.5 | P20 N21 I39 H59 G60 | P20-D25 HydrophobicContact CB-CB 4.18Å; N21-D25 WeakPolarHBondContact CB-OD2 3.42Å; N21-D25 PolarHBondContact N-OD2 3.28Å; N21-D25 PolarHBondContact O-N 2.86Å; D25-I39 HydrophobicContact CB-CD1 3.77Å; D25-I39 WeakPolarHBondContact OD1-CD1 3.5Å; D25-I39 WeakPolarHBondContact OD2-CD1 3.37Å; D25-H59 VanDerWaalsContact CG-ND1 3.33Å; D25-H59 WeakPolarHBondContact OD1-CB 3.34Å; D25-H59 IonicContact OD1-CG 3.49Å; D25-H59 IonicContact OD1-ND1 3.63Å; D25-H59 PolarHBondContact OD1-ND1 3.49Å; D25-H59 IonicContact OD2-CE1 2.78Å; D25-H59 PolarHBondContact OD2-CE1 3.48Å; D25-H59 IonicContact OD2-CG 3.38Å; D25-H59 IonicContact OD2-ND1 3.1Å; D25-H59 PolarHBondContact OD2-ND1 3.3Å; D25-G60 PolarHBondContact OD1-N 2.98Å | ||
| 26 | I | 76.9 | Confident | 82.2 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 69% | 0.692 | 32% | 0.323 | S | S | * | . | trans | -102.5 | 103.2 | 168.4 | -60.4 | 174.4 | 0 | 0 | 0 | 107.1 | Y28 F106 | I26-Y28 VanDerWaalsContact C-N 3.32Å; I26-Y28 PolarHBondContact O-N 3.32Å; I26-F106 WeakPolarHBondContact O-CE2 3.5Å; I26-F106 WeakPolarHBondContact O-CZ 3.42Å | ||
| 27 | G | 79.5 | Confident | 81.9 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | trans | -77.3 | -5.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y35 S36 | G27-Y35 CarbonylContact O-C 3.55Å; G27-Y35 VanDerWaalsContact O-CA 3.31Å; G27-Y35 WeakPolarHBondContact O-CA 3.4Å; G27-S36 PolarHBondContact O-N 3.28Å | ||
| 28 | Y | 86.2 | Confident | 81.9 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 38% | 0.384 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.9 | -167.4 | -178.4 | -95.8 | 0 | 0 | 0 | 113.7 | I26 R33 Y35 | I26-Y28 VanDerWaalsContact C-N 3.32Å; I26-Y28 PolarHBondContact O-N 3.32Å; Y28-R33 WeakPolarHBondContact OH-CA 3.45Å; Y28-Y35 AromaticContact CD2-CD2 3.94Å; Y28-Y35 HydrophobicContact CD2-CD2 3.94Å; Y28-Y35 HydrophobicContact CD2-CE1 4.47Å; Y28-Y35 AromaticContact CD2-CE2 3.8Å; Y28-Y35 HydrophobicContact CD2-CE2 3.8Å; Y28-Y35 HydrophobicContact CD2-CG 4.33Å |
| 29 | S | 85.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.4 | 171 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | F31 A32 R33 C34 V105 F106 | S29-F31 PolarHBondContact O-N 2.7Å; S29-F31 PolarHBondContact OG-N 2.85Å; S29-A32 PolarHBondContact OG-N 3.33Å; S29-A32 VanDerWaalsContact OG-N 3.12Å; S29-R33 WeakPolarHBondContact O-CA 3.35Å; S29-R33 PolarHBondContact O-N 3.25Å; S29-C34 PolarHBondContact N-O 3.02Å; S29-V105 PolarHBondContact OG-O 3.25Å; S29-V105 VanDerWaalsContact OG-O 3.06Å; S29-F106 WeakPolarHBondContact CB-O 3.37Å; S29-F106 PolarHBondContact OG-O 2.69Å; S29-F106 VanDerWaalsContact OG-O 3.08Å |
| 30 | K | 84.7 | Confident | 82.6 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39 | 174 | -179.1 | -171.2 | 172.7 | -167.3 | 0 | 111.7 | ||
| 31 | F | 81.7 | Confident | 83 | Confident | 16 Ų | 16 | 63 Ų | 63 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -43.4 | -171.5 | -65.6 | -88.9 | 0 | 0 | 0 | 112.3 | S29 R33 V80 V84 A108 | S29-F31 PolarHBondContact O-N 2.7Å; S29-F31 PolarHBondContact OG-N 2.85Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-V80 HydrophobicContact CE1-CG1 4.06Å; F31-V80 HydrophobicContact CZ-CG1 4.16Å; F31-V84 HydrophobicContact CB-CG1 3.87Å; F31-V84 HydrophobicContact CD1-CB 4.02Å; F31-V84 HydrophobicContact CD1-CG1 3.93Å; F31-V84 HydrophobicContact CD1-CG2 4.09Å; F31-V84 HydrophobicContact CE1-CG2 4.21Å; F31-V84 HydrophobicContact CG-CG1 4.01Å; F31-A108 HydrophobicContact CE1-CB 4.48Å; F31-A108 HydrophobicContact CE2-CB 3.91Å; F31-A108 VanDerWaalsContact CE2-N 3.32Å; F31-A108 HydrophobicContact CZ-CB 3.8Å |
| 32 | A | 78.1 | Confident | 83.5 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S29 C34 V103 | S29-A32 PolarHBondContact OG-N 3.33Å; S29-A32 VanDerWaalsContact OG-N 3.12Å; A32-C34 PolarHBondContact O-N 3.29Å; A32-V103 HydrophobicContact CB-CG1 4.29Å; A32-V103 HydrophobicContact CB-CG2 3.95Å |
| 33 | R | 81.7 | Confident | 84.2 | Confident | 190 Ų | 190 | 54.9 Ų | 54.9 | 72% | 0.717 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.5 | -177.4 | -56.4 | -177.3 | -179.7 | -176.6 | 0.2 | 113.8 | Y28 S29 F31 | Y28-R33 WeakPolarHBondContact OH-CA 3.45Å; S29-R33 WeakPolarHBondContact O-CA 3.35Å; S29-R33 PolarHBondContact O-N 3.25Å; F31-R33 VanDerWaalsContact C-N 3.31Å |
| 34 | C | 83.2 | Confident | 85 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 30% | 0.297 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 165.9 | 178.5 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | S29 A32 V103 | S29-C34 PolarHBondContact N-O 3.02Å; A32-C34 PolarHBondContact O-N 3.29Å; C34-V103 VanDerWaalsContact SG-CG2 3.53Å |
| 35 | Y | 82.4 | Confident | 85.5 | Confident | 157 Ų | 157 | 49 Ų | 49 | 62% | 0.616 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.7 | 169.7 | -69.1 | -97 | 0 | 0 | 0 | 109.5 | G27 Y28 | G27-Y35 CarbonylContact O-C 3.55Å; G27-Y35 VanDerWaalsContact O-CA 3.31Å; G27-Y35 WeakPolarHBondContact O-CA 3.4Å; Y28-Y35 AromaticContact CD2-CD2 3.94Å; Y28-Y35 HydrophobicContact CD2-CD2 3.94Å; Y28-Y35 HydrophobicContact CD2-CE1 4.47Å; Y28-Y35 AromaticContact CD2-CE2 3.8Å; Y28-Y35 HydrophobicContact CD2-CE2 3.8Å; Y28-Y35 HydrophobicContact CD2-CG 4.33Å |
| 36 | S | 83.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -74.1 | 130.3 | 171.1 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | P20 G27 R38 | P20-S36 WeakPolarHBondContact CG-O 3.47Å; G27-S36 PolarHBondContact O-N 3.28Å; S36-R38 WeakPolarHBondContact CB-O 3.31Å; S36-R38 PolarHBondContact O-N 3.43Å; S36-R38 PolarHBondContact OG-N 3.5Å; S36-R38 PolarHBondContact OG-O 3.06Å | ||
| 37 | H | 81 | Confident | 86.6 | Confident | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.606 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -79.7 | -3.8 | 173.8 | -61 | -57.1 | 0 | 0 | 0 | 113.2 | L19 | L19-H37 WeakPolarHBondContact CD2-O 3.29Š|
| 38 | R | 85 | Confident | 86.9 | Confident | 66 Ų | 66 | 42.3 Ų | 42.3 | 25% | 0.249 | 19% | 0.188 | C | C | . | . | trans | -140.6 | 137 | 173.7 | 54.8 | -177 | 176.8 | 121.7 | 4.3 | 111.5 | F17 S18 S36 D102 V132 D133 | F17-R38 HydrophobicContact CB-CB 4.27Å; F17-R38 HydrophobicContact CD1-CB 4.36Å; S18-R38 CarbonylContact O-C 3.47Å; S18-R38 WeakPolarHBondContact O-CA 3.21Å; S36-R38 WeakPolarHBondContact CB-O 3.31Å; S36-R38 PolarHBondContact O-N 3.43Å; S36-R38 PolarHBondContact OG-N 3.5Å; S36-R38 PolarHBondContact OG-O 3.06Å; R38-D102 IonicContact CZ-OD2 2.7Å; R38-D102 IonicContact NE-OD2 2.78Å; R38-D102 PolarHBondContact NE-OD2 2.79Å; R38-D102 IonicContact NH2-OD2 2.89Å; R38-V132 HydrophobicContact CG-CG1 4.25Å; R38-V132 VanDerWaalsContact O-CG1 3.23Å; R38-V132 WeakPolarHBondContact O-CG1 3.42Å; R38-D133 IonicContact CZ-OD2 3.5Å; R38-D133 IonicContact NH1-OD2 2.75Å; R38-D133 PolarHBondContact NH1-OD2 3.49Å | ||
| 39 | I | 88.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.4 | 172.1 | 53.2 | 155.9 | 0 | 0 | 0 | 110.1 | F17 S18 P20 D25 V41 F62 | F17-I39 VanDerWaalsContact CA-O 3.29Å; F17-I39 WeakPolarHBondContact CA-O 3.41Å; S18-I39 PolarHBondContact N-O 2.91Å; S18-I39 WeakPolarHBondContact O-CG1 3.34Å; S18-I39 PolarHBondContact O-N 3.25Å; P20-I39 HydrophobicContact CB-CD1 4.39Å; P20-I39 HydrophobicContact CG-CG1 4.46Å; P20-I39 HydrophobicContact CG-CG2 4.13Å; D25-I39 HydrophobicContact CB-CD1 3.77Å; D25-I39 WeakPolarHBondContact OD1-CD1 3.5Å; D25-I39 WeakPolarHBondContact OD2-CD1 3.37Å; I39-V41 HydrophobicContact CD1-CG2 4.27Å; I39-F62 HydrophobicContact CB-CE1 4.49Å; I39-F62 HydrophobicContact CB-CZ 4.47Å; I39-F62 HydrophobicContact CG2-CE1 4.15Å; I39-F62 HydrophobicContact CG2-CZ 4.01Å |
| 40 | P | 91.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.1 | 175.5 | 31.3 | -32.5 | 0 | 0 | 0 | 110.8 | F17 F62 V132 | F17-P40 HydrophobicContact CE1-CB 4.27Å; P40-F62 HydrophobicContact CG-CD1 4Å; P40-F62 HydrophobicContact CG-CE1 4.33Å; P40-V132 WeakPolarHBondContact CD-O 3.33Å; P40-V132 WeakPolarHBondContact CG-O 3.39Å |
| 41 | V | 91 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.7 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | Y15 Y16 S18 I39 N57 | Y15-V41 CarbonylContact C-O 3.59Å; Y15-V41 VanDerWaalsContact CA-O 3.25Å; Y15-V41 WeakPolarHBondContact CA-O 3.44Å; Y15-V41 WeakPolarHBondContact CB-O 3.42Å; Y16-V41 HydrophobicContact CD1-CB 4.24Å; Y16-V41 HydrophobicContact CD1-CG1 4.47Å; Y16-V41 WeakPolarHBondContact CD1-O 3.31Å; Y16-V41 HydrophobicContact CE1-CB 3.84Å; Y16-V41 HydrophobicContact CE1-CG1 3.69Å; Y16-V41 PolarHBondContact N-O 2.81Å; Y16-V41 PolarHBondContact O-N 2.82Å; S18-V41 WeakPolarHBondContact OG-CG2 3.35Å; I39-V41 HydrophobicContact CD1-CG2 4.27Å; V41-N57 HydrophobicContact CG1-CB 3.87Å |
| 42 | I | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.3 | 179.2 | -62.1 | 176.3 | 0 | 0 | 0 | 108.7 | D14 V44 N57 V58 V61 Y163 L164 F167 | D14-I42 CarbonylContact O-C 3.57Å; D14-I42 WeakPolarHBondContact O-CA 3.21Å; D14-I42 WeakPolarHBondContact O-CG2 3.47Å; I42-V44 HydrophobicContact CG2-CG2 4.42Å; I42-N57 CarbonylContact O-C 3.25Å; I42-N57 WeakPolarHBondContact O-CA 3.4Å; I42-V58 HydrophobicContact CB-CB 4.34Å; I42-V58 PolarHBondContact N-O 2.96Å; I42-V58 PolarHBondContact O-N 2.82Å; I42-V61 HydrophobicContact CD1-CB 4.12Å; I42-V61 HydrophobicContact CD1-CG1 3.97Å; I42-V61 HydrophobicContact CD1-CG2 4.43Å; I42-Y163 HydrophobicContact CD1-CE1 4.13Å; I42-Y163 HydrophobicContact CD1-CE2 4.38Å; I42-Y163 HydrophobicContact CG1-CE1 3.95Å; I42-Y163 WeakPolarHBondContact CG1-OH 3.46Å; I42-L164 HydrophobicContact CD1-CD2 4.23Å; I42-L164 HydrophobicContact CG1-CD2 4.19Å; I42-L164 HydrophobicContact CG2-CD2 4.09Å; I42-F167 HydrophobicContact CD1-CB 3.78Å; I42-F167 HydrophobicContact CD1-CD1 3.74Å; I42-F167 HydrophobicContact CD1-CD2 3.77Å; I42-F167 HydrophobicContact CD1-CE1 4.25Å; I42-F167 HydrophobicContact CD1-CE2 4.3Å; I42-F167 HydrophobicContact CD1-CG 3.47Å; I42-F167 VanDerWaalsContact CD1-CG 3.47Å; I42-F167 HydrophobicContact CG2-CD1 4.33Å; I42-F167 HydrophobicContact CG2-CE1 4.13Å |
| 43 | R | 92.6 | Very high | 86.5 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 2% | 0.023 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.3 | 169.2 | -73.1 | -179.3 | -64.4 | -141.4 | -0.5 | 110.4 | L13 D14 Y16 Y45 A56 | L13-R43 WeakPolarHBondContact CA-O 3.21Å; D14-R43 PolarHBondContact N-O 3.28Å; D14-R43 PolarHBondContact O-N 3.22Å; D14-R43 IonicContact OD1-CZ 2.99Å; D14-R43 IonicContact OD1-NE 2.67Å; D14-R43 PolarHBondContact OD1-NE 2.84Å; D14-R43 IonicContact OD1-NH2 3Å; D14-R43 PolarHBondContact OD1-NH2 3.06Å; D14-R43 IonicContact OD2-CZ 2.72Å; D14-R43 IonicContact OD2-NE 3.11Å; D14-R43 IonicContact OD2-NH2 2.81Å; D14-R43 PolarHBondContact OD2-NH2 3.48Å; Y16-R43 HydrophobicContact CD1-CG 3.82Å; Y16-R43 HydrophobicContact CE1-CG 3.64Å; R43-Y45 HydrophobicContact CB-CE2 3.97Å; R43-Y45 PolarHBondContact NE-OH 2.88Å; R43-A56 CarbonylContact C-O 3.32Å; R43-A56 WeakPolarHBondContact CA-O 3.48Å |
| 44 | V | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.6 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | I10 L13 I42 C55 A56 V58 L179 | I10-V44 HydrophobicContact CB-CG1 4.44Å; I10-V44 HydrophobicContact CG1-CG1 3.95Å; I10-V44 HydrophobicContact CG2-CG1 4.19Å; L13-V44 HydrophobicContact CD2-CB 4.06Å; L13-V44 HydrophobicContact CD2-CG1 3.92Å; L13-V44 HydrophobicContact CD2-CG2 3.75Å; I42-V44 HydrophobicContact CG2-CG2 4.42Å; V44-C55 CarbonylContact O-C 3.47Å; V44-C55 WeakPolarHBondContact O-CA 3.26Å; V44-A56 HydrophobicContact CB-CB 4.29Å; V44-A56 PolarHBondContact N-O 2.89Å; V44-A56 PolarHBondContact O-N 3.35Å; V44-V58 HydrophobicContact CG2-CG2 3.81Å; V44-L179 HydrophobicContact CG2-CD1 4.46Å |
| 45 | Y | 93.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.5 | 171.7 | -52.8 | -91.8 | 0 | 0 | 0 | 109.5 | F11 S12 D14 R43 C55 T224 R1259 | F11-Y45 PolarHBondContact N-O 3.03Å; S12-Y45 PolarHBondContact N-O 3.41Å; S12-Y45 PolarHBondContact O-N 3.23Å; D14-Y45 HydrophobicContact CB-CE2 4.42Å; D14-Y45 WeakPolarHBondContact OD2-CE2 3.38Å; D14-Y45 PolarHBondContact OD2-OH 3.29Å; R43-Y45 HydrophobicContact CB-CE2 3.97Å; R43-Y45 PolarHBondContact NE-OH 2.88Å; Y45-C55 HydrophobicContact CD1-CB 4.2Å; Y45-C55 HydrophobicContact CE1-CB 4.45Å; Y45-T224 HydrophobicContact CE1-CG2 4.37Å; Y45-R1259 HydrophobicContact CD1-CB 4.35Å; Y45-R1259 HydrophobicContact CE1-CB 4.08Å |
| 46 | G | 91.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | -165.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K9 I54 | K9-G46 WeakPolarHBondContact O-CA 3.42Å; G46-I54 PolarHBondContact N-O 3.35Å; G46-I54 WeakPolarHBondContact O-CG2 3.41Å; G46-I54 PolarHBondContact O-N 2.98Å |
| 47 | T | 89.9 | Confident | 88.6 | Confident | 13 Ų | 13 | 17.6 Ų | 17.6 | 8% | 0.08 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.6 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | I8 K9 Q52 K53 | I8-T47 CarbonylContact C-O 3.6Å; I8-T47 WeakPolarHBondContact CA-O 3.34Å; K9-T47 PolarHBondContact N-O 3.45Å; K9-T47 PolarHBondContact O-N 2.89Å; T47-Q52 VanDerWaalsContact CA-O 3.28Å; T47-Q52 WeakPolarHBondContact CA-O 3.34Å; T47-K53 HydrophobicContact CG2-CD 3.84Å |
| 48 | T | 87.6 | Confident | 89.3 | Confident | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.018 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 169 | 169.8 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | L6 S7 T50 G51 Q52 I54 L228 | L6-T48 HydrophobicContact CD1-CG2 4.47Å; S7-T48 WeakPolarHBondContact O-CA 3.45Å; T48-T50 PolarHBondContact O-N 2.94Å; T48-T50 PolarHBondContact OG1-N 2.86Å; T48-T50 PolarHBondContact OG1-OG1 3.31Å; T48-G51 WeakPolarHBondContact O-CA 3.35Å; T48-G51 PolarHBondContact O-N 3.14Å; T48-G51 PolarHBondContact OG1-N 3.31Å; T48-Q52 HydrophobicContact CG2-CB 4.24Å; T48-Q52 PolarHBondContact N-O 3.03Å; T48-Q52 WeakPolarHBondContact OG1-CB 3.26Å; T48-Q52 PolarHBondContact OG1-N 3.07Å; T48-I54 HydrophobicContact CG2-CB 4.35Å; T48-I54 HydrophobicContact CG2-CD1 4.25Å; T48-I54 HydrophobicContact CG2-CG2 4.08Å; T48-L228 HydrophobicContact CG2-CD1 3.86Å |
| 49 | H | 77.5 | Confident | 89.7 | Confident | 86 Ų | 86 | 8.3 Ų | 8.3 | 40% | 0.398 | 4% | 0.043 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21 | 169.1 | 64.6 | -99.1 | 0 | 0 | 0 | 113.9 | M1 S7 G51 W205 | M1-H49 PolarHBondContact SD-CE1 3.38Å; S7-H49 PolarHBondContact OG-ND1 2.96Å; H49-G51 VanDerWaalsContact C-N 3.28Å; H49-W205 AromaticContact CE1-CE2 3.96Å; H49-W205 AromaticContact CE1-CZ2 3.91Å; H49-W205 AromaticContact CE1-NE1 3.38Å; H49-W205 PolarHBondContact CE1-NE1 3.32Å; H49-W205 AromaticContact NE2-NE1 3.78Å |
| 50 | T | 77 | Confident | 89.9 | Confident | 26 Ų | 26 | 9.9 Ų | 9.9 | 16% | 0.16 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.4 | 170.6 | 55.1 | 0 | 0 | 0 | 0 | 113 | T48 Q52 R199 N203 | T48-T50 PolarHBondContact O-N 2.94Å; T48-T50 PolarHBondContact OG1-N 2.86Å; T48-T50 PolarHBondContact OG1-OG1 3.31Å; T50-Q52 WeakPolarHBondContact OG1-CG 3.41Å; T50-Q52 PolarHBondContact OG1-OE1 3.24Å; T50-R199 VanDerWaalsContact O-CZ 3.29Å; T50-R199 PolarHBondContact O-NH1 2.8Å; T50-N203 WeakPolarHBondContact CG2-O 3.42Å |
| 51 | G | 77.2 | Confident | 90 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 5% | 0.052 | 6% | 0.063 | C | C | . | . | trans | 74 | 19.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T48 H49 R199 Y1088 | T48-G51 WeakPolarHBondContact O-CA 3.35Å; T48-G51 PolarHBondContact O-N 3.14Å; T48-G51 PolarHBondContact OG1-N 3.31Å; H49-G51 VanDerWaalsContact C-N 3.28Å; G51-R199 PolarHBondContact O-NH1 3.11Å; G51-Y1088 VanDerWaalsContact CA-CD2 3.48Å | ||
| 52 | Q | 85.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | trans | -74 | 147.6 | 169.7 | -64.3 | 171.9 | -101.2 | 0 | 0 | 109.5 | T47 T48 T50 V204 W205 E227 L228 | T47-Q52 VanDerWaalsContact CA-O 3.28Å; T47-Q52 WeakPolarHBondContact CA-O 3.34Å; T48-Q52 HydrophobicContact CG2-CB 4.24Å; T48-Q52 PolarHBondContact N-O 3.03Å; T48-Q52 WeakPolarHBondContact OG1-CB 3.26Å; T48-Q52 PolarHBondContact OG1-N 3.07Å; T50-Q52 WeakPolarHBondContact OG1-CG 3.41Å; T50-Q52 PolarHBondContact OG1-OE1 3.24Å; Q52-V204 HydrophobicContact CG-CG1 4.5Å; Q52-W205 PolarHBondContact NE2-O 2.83Å; Q52-W205 VanDerWaalsContact NE2-O 3.11Å; Q52-E227 WeakPolarHBondContact CA-OE2 3.49Å; Q52-E227 WeakPolarHBondContact CB-OE2 3.41Å; Q52-E227 VanDerWaalsContact CG-OE1 3.25Å; Q52-E227 WeakPolarHBondContact CG-OE1 3.29Å; Q52-E227 PolarHBondContact NE2-OE1 2.86Å; Q52-L228 HydrophobicContact CB-CD1 4.16Å | ||
| 53 | K | 89.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 11.7 Ų | 11.7 | 11% | 0.109 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.4 | -177.5 | -52.5 | -61.9 | -161.3 | 174.8 | 0 | 109.8 | T47 M226 E227 L228 Y1088 T1090 D1224 E1226 | T47-K53 HydrophobicContact CG2-CD 3.84Å; K53-M226 HydrophobicContact CB-SD 4.05Å; K53-E227 PolarHBondContact N-OE2 2.91Å; K53-E227 WeakPolarHBondContact O-CB 3.48Å; K53-E227 PolarHBondContact O-N 3.43Å; K53-L228 PolarHBondContact O-N 3.47Å; K53-L228 VanDerWaalsContact O-N 3.11Å; K53-Y1088 PolarHBondContact NZ-O 3.38Å; K53-T1090 PolarHBondContact NZ-OG1 3Å; K53-T1090 VanDerWaalsContact NZ-OG1 3.14Å; K53-D1224 WeakPolarHBondContact CG-OD2 3.33Å; K53-E1226 WeakPolarHBondContact CD-OE1 3.36Å; K53-E1226 WeakPolarHBondContact CE-OE1 3.37Å; K53-E1226 IonicContact NZ-OE1 3.37Å; K53-E1226 PolarHBondContact NZ-OE1 2.87Å; K53-E1226 IonicContact NZ-OE2 2.88Å; K53-E1226 PolarHBondContact NZ-OE2 2.67Å |
| 54 | I | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.4 | -170.6 | -174.2 | 163.1 | 0 | 0 | 0 | 112.6 | L6 I8 G46 T48 L228 V230 | L6-I54 HydrophobicContact CD1-CD1 4.34Å; L6-I54 HydrophobicContact CD2-CD1 4.04Å; I8-I54 HydrophobicContact CB-CG2 4.46Å; I8-I54 HydrophobicContact CD1-CD1 3.93Å; I8-I54 HydrophobicContact CD1-CG1 4.3Å; I8-I54 HydrophobicContact CD1-CG2 4.28Å; I8-I54 HydrophobicContact CG1-CD1 4.29Å; I8-I54 HydrophobicContact CG1-CG2 4.11Å; I8-I54 HydrophobicContact CG2-CG2 3.74Å; G46-I54 PolarHBondContact N-O 3.35Å; G46-I54 WeakPolarHBondContact O-CG2 3.41Å; G46-I54 PolarHBondContact O-N 2.98Å; T48-I54 HydrophobicContact CG2-CB 4.35Å; T48-I54 HydrophobicContact CG2-CD1 4.25Å; T48-I54 HydrophobicContact CG2-CG2 4.08Å; I54-L228 WeakPolarHBondContact CA-O 3.05Å; I54-L228 HydrophobicContact CB-CB 4Å; I54-L228 HydrophobicContact CD1-CB 3.87Å; I54-L228 HydrophobicContact CD1-CD1 4.17Å; I54-L228 HydrophobicContact CG1-CB 3.76Å; I54-V230 HydrophobicContact CD1-CG1 4.31Å; I54-V230 HydrophobicContact CD1-CG2 4.16Å |
| 55 | C | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.9 | 161.6 | -179.6 | 0 | 0 | 0 | 0 | 110 | V44 Y45 T224 M226 L228 E229 V230 | V44-C55 CarbonylContact O-C 3.47Å; V44-C55 WeakPolarHBondContact O-CA 3.26Å; Y45-C55 HydrophobicContact CD1-CB 4.2Å; Y45-C55 HydrophobicContact CE1-CB 4.45Å; C55-T224 HydrophobicContact CB-CG2 3.86Å; C55-M226 HydrophobicContact CB-CB 4.43Å; C55-M226 HydrophobicContact CB-CG 3.9Å; C55-L228 PolarHBondContact N-O 2.92Å; C55-E229 HydrophobicContact CB-CG 4.37Å; C55-E229 CarbonylContact O-C 3.55Å; C55-E229 VanDerWaalsContact O-CA 3.29Å; C55-E229 WeakPolarHBondContact O-CA 3.42Å; C55-V230 PolarHBondContact O-N 2.95Å |
| 56 | A | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I8 R43 V44 V230 I232 | I8-A56 HydrophobicContact CD1-CB 3.71Å; R43-A56 CarbonylContact C-O 3.32Å; R43-A56 WeakPolarHBondContact CA-O 3.48Å; V44-A56 HydrophobicContact CB-CB 4.29Å; V44-A56 PolarHBondContact N-O 2.89Å; V44-A56 PolarHBondContact O-N 3.35Å; A56-V230 HydrophobicContact CB-CG2 3.54Å; A56-I232 HydrophobicContact CB-CD1 3.6Å; A56-I232 HydrophobicContact CB-CG1 4.2Å |
| 57 | N | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.2 | 171 | -58.4 | -89.5 | 0 | 0 | 0 | 108 | Y16 V41 I42 R187 E229 V230 D231 I232 | Y16-N57 WeakPolarHBondContact CE1-OD1 3.3Å; Y16-N57 PolarHBondContact OH-OD1 3.01Å; Y16-N57 VanDerWaalsContact OH-OD1 3.05Å; V41-N57 HydrophobicContact CG1-CB 3.87Å; I42-N57 CarbonylContact O-C 3.25Å; I42-N57 WeakPolarHBondContact O-CA 3.4Å; N57-R187 VanDerWaalsContact CG-NH1 3.34Å; N57-R187 PolarHBondContact ND2-NH1 3Å; N57-R187 PolarHBondContact OD1-NH1 3.39Å; N57-R187 PolarHBondContact OD1-NH2 3.31Å; N57-E229 WeakPolarHBondContact ND2-CG 3.5Å; N57-E229 PolarHBondContact ND2-OE1 2.83Å; N57-V230 WeakPolarHBondContact CB-O 3.29Å; N57-V230 PolarHBondContact N-O 3.5Å; N57-V230 PolarHBondContact ND2-O 2.75Å; N57-D231 WeakPolarHBondContact O-CA 3.34Å; N57-I232 PolarHBondContact O-N 2.8Å |
| 58 | V | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.4 | -178.4 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | I42 V44 V61 F167 I232 A234 I237 | I42-V58 HydrophobicContact CB-CB 4.34Å; I42-V58 PolarHBondContact N-O 2.96Å; I42-V58 PolarHBondContact O-N 2.82Å; V44-V58 HydrophobicContact CG2-CG2 3.81Å; V58-V61 HydrophobicContact CG1-CG2 3.96Å; V58-F167 HydrophobicContact CG1-CE2 3.98Å; V58-F167 HydrophobicContact CG1-CZ 4.15Å; V58-F167 HydrophobicContact CG2-CZ 4.36Å; V58-I232 WeakPolarHBondContact CA-O 3.49Å; V58-A234 HydrophobicContact CG1-CB 4.1Å; V58-I237 HydrophobicContact CG1-CD1 3.93Å |
| 59 | H | 94.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 153.3 | -173.6 | -77 | -96.5 | 0 | 0 | 0 | 112.4 | L24 D25 D231 I232 A234 | L24-H59 HydrophobicContact CB-CB 4.01Å; L24-H59 HydrophobicContact CD1-CB 4.37Å; D25-H59 VanDerWaalsContact CG-ND1 3.33Å; D25-H59 WeakPolarHBondContact OD1-CB 3.34Å; D25-H59 IonicContact OD1-CG 3.49Å; D25-H59 IonicContact OD1-ND1 3.63Å; D25-H59 PolarHBondContact OD1-ND1 3.49Å; D25-H59 IonicContact OD2-CE1 2.78Å; D25-H59 PolarHBondContact OD2-CE1 3.48Å; D25-H59 IonicContact OD2-CG 3.38Å; D25-H59 IonicContact OD2-ND1 3.1Å; D25-H59 PolarHBondContact OD2-ND1 3.3Å; H59-D231 IonicContact CD2-OD1 3.8Å; H59-D231 IonicContact NE2-OD1 3.41Å; H59-D231 PolarHBondContact NE2-OD1 2.81Å; H59-I232 PolarHBondContact N-O 2.69Å; H59-A234 WeakPolarHBondContact O-CB 3.34Å; H59-A234 PolarHBondContact O-N 3.43Å |
| 60 | G | 91.4 | Very high | 91 | Very high | 34 Ų | 34 | 12.6 Ų | 12.6 | 35% | 0.351 | 8% | 0.075 | S | C | . | . | S | Bend | trans | 75.5 | 20.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D25 | D25-G60 PolarHBondContact OD1-N 2.98Š|
| 61 | V | 93.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 7% | 0.073 | 11% | 0.109 | C | C | . | . | trans | -104.3 | 122.7 | 173.6 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | I42 V58 Y163 F167 Y171 A234 | I42-V61 HydrophobicContact CD1-CB 4.12Å; I42-V61 HydrophobicContact CD1-CG1 3.97Å; I42-V61 HydrophobicContact CD1-CG2 4.43Å; V58-V61 HydrophobicContact CG1-CG2 3.96Å; V61-Y163 HydrophobicContact CG1-CE2 4.01Å; V61-Y163 PolarHBondContact O-OH 3.39Å; V61-F167 HydrophobicContact CG1-CB 4.38Å; V61-F167 HydrophobicContact CG1-CD2 3.96Å; V61-F167 HydrophobicContact CG2-CD2 3.93Å; V61-F167 HydrophobicContact CG2-CE2 4.03Å; V61-Y171 HydrophobicContact CG2-CE2 4.31Å; V61-A234 HydrophobicContact CG2-CB 3.58Å | ||
| 62 | F | 93.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | trans | -117.5 | 139.2 | 178.1 | -71.5 | -91.4 | 0 | 0 | 0 | 111 | I39 P40 F106 Y130 | I39-F62 HydrophobicContact CB-CE1 4.49Å; I39-F62 HydrophobicContact CB-CZ 4.47Å; I39-F62 HydrophobicContact CG2-CE1 4.15Å; I39-F62 HydrophobicContact CG2-CZ 4.01Å; P40-F62 HydrophobicContact CG-CD1 4Å; P40-F62 HydrophobicContact CG-CE1 4.33Å; F62-F106 HydrophobicContact CD1-CB 4.07Å; F62-F106 HydrophobicContact CD1-CD1 4.04Å; F62-F106 HydrophobicContact CD1-CD2 4.27Å; F62-F106 AromaticContact CD1-CG 3.84Å; F62-F106 HydrophobicContact CD1-CG 3.84Å; F62-F106 HydrophobicContact CD2-CD1 4.02Å; F62-F106 HydrophobicContact CD2-CE1 4.05Å; F62-F106 HydrophobicContact CE1-CB 4.2Å; F62-F106 AromaticContact CE1-CD1 3.97Å; F62-F106 HydrophobicContact CE1-CD1 3.97Å; F62-F106 AromaticContact CE1-CD2 3.57Å; F62-F106 HydrophobicContact CE1-CD2 3.57Å; F62-F106 HydrophobicContact CE1-CE1 4.3Å; F62-F106 AromaticContact CE1-CE2 3.93Å; F62-F106 HydrophobicContact CE1-CE2 3.93Å; F62-F106 AromaticContact CE1-CG 3.61Å; F62-F106 HydrophobicContact CE1-CG 3.61Å; F62-F106 HydrophobicContact CE1-CZ 4.29Å; F62-F106 AromaticContact CE2-CD1 3.96Å; F62-F106 HydrophobicContact CE2-CD1 3.96Å; F62-F106 AromaticContact CE2-CE1 3.65Å; F62-F106 HydrophobicContact CE2-CE1 3.65Å; F62-F106 HydrophobicContact CE2-CE2 4.27Å; F62-F106 HydrophobicContact CE2-CG 4.4Å; F62-F106 AromaticContact CE2-CZ 3.83Å; F62-F106 HydrophobicContact CE2-CZ 3.83Å; F62-F106 HydrophobicContact CG-CD1 4.06Å; F62-F106 HydrophobicContact CG-CG 4.33Å; F62-F106 AromaticContact CZ-CD1 3.93Å; F62-F106 HydrophobicContact CZ-CD1 3.93Å; F62-F106 AromaticContact CZ-CD2 3.74Å; F62-F106 HydrophobicContact CZ-CD2 3.74Å; F62-F106 AromaticContact CZ-CE1 3.78Å; F62-F106 HydrophobicContact CZ-CE1 3.78Å; F62-F106 AromaticContact CZ-CE2 3.58Å; F62-F106 HydrophobicContact CZ-CE2 3.58Å; F62-F106 AromaticContact CZ-CG 3.92Å; F62-F106 HydrophobicContact CZ-CG 3.92Å; F62-F106 AromaticContact CZ-CZ 3.61Å; F62-F106 HydrophobicContact CZ-CZ 3.61Å; F62-Y130 HydrophobicContact CB-CD1 3.94Å | ||
| 63 | P | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -62.9 | 145.3 | 173.1 | 29.5 | -37.9 | 0 | 0 | 0 | 110.9 | Y130 L131 P134 I137 Y163 | P63-Y130 WeakPolarHBondContact O-CA 3.48Å; P63-L131 VanDerWaalsContact CD-O 3.27Å; P63-L131 WeakPolarHBondContact CD-O 3.12Å; P63-L131 HydrophobicContact CG-CB 4.28Å; P63-L131 VanDerWaalsContact CG-O 3.3Å; P63-L131 WeakPolarHBondContact CG-O 3.33Å; P63-L131 PolarHBondContact O-N 3.1Å; P63-P134 HydrophobicContact CB-CB 4.23Å; P63-P134 HydrophobicContact CB-CG 4.13Å; P63-P134 HydrophobicContact CG-CB 4.33Å; P63-P134 HydrophobicContact CG-CG 3.85Å; P63-I137 HydrophobicContact CB-CD1 3.88Å; P63-Y163 HydrophobicContact CB-CD2 3.63Å; P63-Y163 HydrophobicContact CB-CE2 4.06Å; P63-Y163 HydrophobicContact CB-CG 4.13Å; P63-Y163 HydrophobicContact CG-CD2 4.49Å | ||
| 64 | Y | 95.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 161.8 | -178.8 | 58.5 | -101 | 0 | 0 | 0 | 114.3 | F66 K128 L129 Y130 Q166 D170 R1482 | Y64-F66 HydrophobicContact CD2-CD2 4.36Å; Y64-F66 AromaticContact CD2-CE2 3.98Å; Y64-F66 HydrophobicContact CD2-CE2 3.98Å; Y64-F66 HydrophobicContact CD2-CZ 4.44Å; Y64-F66 HydrophobicContact CE2-CD2 4.36Å; Y64-F66 AromaticContact CE2-CE2 3.66Å; Y64-F66 HydrophobicContact CE2-CE2 3.66Å; Y64-F66 HydrophobicContact CE2-CZ 4.23Å; Y64-K128 HydrophobicContact CD2-CD 4.45Å; Y64-K128 HydrophobicContact CD2-CG 4.41Å; Y64-K128 VanDerWaalsContact CE1-NZ 3.31Å; Y64-K128 HydrophobicContact CG-CD 4.41Å; Y64-K128 HydrophobicContact CG-CG 4.39Å; Y64-L129 WeakPolarHBondContact CA-O 3.42Å; Y64-L129 WeakPolarHBondContact CB-O 3.49Å; Y64-Y130 HydrophobicContact CD1-CD1 4.23Å; Y64-Y130 AromaticContact CD1-CE1 3.9Å; Y64-Y130 HydrophobicContact CD1-CE1 3.9Å; Y64-Y130 HydrophobicContact CG-CD1 4.48Å; Y64-Y130 HydrophobicContact CG-CE1 4.35Å; Y64-Q166 HydrophobicContact CE1-CB 4.41Å; Y64-Q166 PolarHBondContact O-NE2 3.01Å; Y64-D170 VanDerWaalsContact CE1-OD2 3.24Å; Y64-D170 WeakPolarHBondContact CE1-OD2 3.33Å; Y64-D170 VanDerWaalsContact CZ-OD2 3.3Å; Y64-D170 VanDerWaalsContact OH-CG 3.27Å; Y64-D170 PolarHBondContact OH-OD1 3.08Å; Y64-D170 PolarHBondContact OH-OD2 3.1Å; Y64-R1482 PolarHBondContact OH-NH1 3.29Å; Y64-R1482 PolarHBondContact OH-NH2 3.06Å |
| 65 | I | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154 | 166.7 | 61.6 | 177.3 | 0 | 0 | 0 | 109.7 | I67 L129 I137 C140 L144 | I65-I67 HydrophobicContact CD1-CD1 4.27Å; I65-I67 HydrophobicContact CD1-CG1 4.48Å; I65-I67 HydrophobicContact CG1-CG1 4.46Å; I65-L129 HydrophobicContact CD1-CD2 3.99Å; I65-L129 HydrophobicContact CG1-CB 3.99Å; I65-L129 HydrophobicContact CG1-CD2 4.02Å; I65-L129 PolarHBondContact N-O 2.83Å; I65-L129 PolarHBondContact O-N 3.47Å; I65-I137 HydrophobicContact CG2-CB 4.43Å; I65-I137 HydrophobicContact CG2-CD1 4.08Å; I65-I137 HydrophobicContact CG2-CG1 3.99Å; I65-I137 HydrophobicContact CG2-CG2 3.84Å; I65-C140 HydrophobicContact CD1-CB 4.3Å; I65-L144 HydrophobicContact CD1-CD1 3.65Å |
| 66 | F | 96.2 | Very high | 89.1 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 148.9 | 171.1 | -67.2 | -80.1 | 0 | 0 | 0 | 110.4 | Y64 V111 I127 K128 Y157 E158 I1487 | Y64-F66 HydrophobicContact CD2-CD2 4.36Å; Y64-F66 AromaticContact CD2-CE2 3.98Å; Y64-F66 HydrophobicContact CD2-CE2 3.98Å; Y64-F66 HydrophobicContact CD2-CZ 4.44Å; Y64-F66 HydrophobicContact CE2-CD2 4.36Å; Y64-F66 AromaticContact CE2-CE2 3.66Å; Y64-F66 HydrophobicContact CE2-CE2 3.66Å; Y64-F66 HydrophobicContact CE2-CZ 4.23Å; F66-V111 HydrophobicContact CD1-CG2 4.1Å; F66-V111 HydrophobicContact CE1-CG2 3.8Å; F66-I127 CarbonylContact C-O 3.48Å; F66-I127 WeakPolarHBondContact CA-O 3.42Å; F66-K128 HydrophobicContact CD1-CB 3.75Å; F66-K128 HydrophobicContact CD1-CD 4.39Å; F66-K128 HydrophobicContact CD1-CG 3.86Å; F66-K128 HydrophobicContact CE1-CB 3.6Å; F66-K128 HydrophobicContact CE1-CD 3.52Å; F66-K128 HydrophobicContact CE1-CG 3.49Å; F66-K128 VanDerWaalsContact CE1-CG 3.49Å; F66-K128 HydrophobicContact CZ-CD 3.69Å; F66-K128 HydrophobicContact CZ-CG 4Å; F66-Y157 PolarHBondContact N-O 2.9Å; F66-Y157 WeakPolarHBondContact O-CB 3.25Å; F66-Y157 PolarHBondContact O-N 2.91Å; F66-E158 HydrophobicContact CD2-CB 4.25Å; F66-E158 HydrophobicContact CD2-CG 4.15Å; F66-E158 WeakPolarHBondContact CE2-OE2 3.38Å; F66-I1487 HydrophobicContact CB-CG2 3.94Å; F66-I1487 HydrophobicContact CD1-CD1 4.25Å; F66-I1487 HydrophobicContact CD2-CG2 3.7Å; F66-I1487 HydrophobicContact CE2-CG2 4.32Å; F66-I1487 HydrophobicContact CG-CD1 4.39Å; F66-I1487 HydrophobicContact CG-CG2 3.91Å |
| 67 | I | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 130 | -177.9 | -49.9 | 178.1 | 0 | 0 | 0 | 107.3 | I65 L69 F83 F126 I127 L144 F154 | I65-I67 HydrophobicContact CD1-CD1 4.27Å; I65-I67 HydrophobicContact CD1-CG1 4.48Å; I65-I67 HydrophobicContact CG1-CG1 4.46Å; I67-L69 PolarHBondContact O-N 3.39Å; I67-F83 HydrophobicContact CD1-CE1 3.89Å; I67-F83 HydrophobicContact CD1-CZ 3.5Å; I67-F126 CarbonylContact O-C 3.54Å; I67-F126 WeakPolarHBondContact O-CA 3.46Å; I67-F126 WeakPolarHBondContact O-CB 3.46Å; I67-I127 PolarHBondContact N-O 3.14Å; I67-I127 PolarHBondContact O-N 2.71Å; I67-L144 HydrophobicContact CD1-CD1 3.54Å; I67-L144 HydrophobicContact CD1-CD2 4.16Å; I67-L144 HydrophobicContact CG1-CD1 4.33Å; I67-F154 HydrophobicContact CG2-CB 3.89Å; I67-F154 HydrophobicContact CG2-CD1 3.74Å; I67-F154 HydrophobicContact CG2-CG 4.22Å |
| 68 | E | 90.9 | Very high | 88.2 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.3 | 177.4 | -168.7 | 168.5 | 147.6 | 0 | 0 | 110 | P70 K124 F126 Y157 | E68-P70 WeakPolarHBondContact O-CD 3.33Å; E68-K124 HydrophobicContact CG-CD 4.39Å; E68-K124 WeakPolarHBondContact OE1-CD 3.32Å; E68-K124 WeakPolarHBondContact OE1-CE 3.48Å; E68-K124 IonicContact OE1-NZ 3.96Å; E68-K124 PolarHBondContact OE1-NZ 3.4Å; E68-K124 IonicContact OE2-NZ 2.82Å; E68-F126 HydrophobicContact CB-CD1 4.11Å; E68-F126 HydrophobicContact CB-CE1 3.9Å; E68-F126 HydrophobicContact CG-CE1 4.19Å; E68-F126 HydrophobicContact CG-CZ 4.49Å; E68-Y157 HydrophobicContact CB-CE2 4.06Å; E68-Y157 PolarHBondContact OE2-OH 3.43Å |
| 69 | L | 89 | Confident | 88 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -84.5 | 114.3 | 174 | -175.2 | 84.6 | 0 | 0 | 0 | 107.5 | I67 L76 F79 P125 I127 | I67-L69 PolarHBondContact O-N 3.39Å; L69-L76 HydrophobicContact CD2-CD1 3.81Å; L69-L76 HydrophobicContact CD2-CD2 4.06Å; L69-L76 HydrophobicContact CD2-CG 3.99Å; L69-F79 HydrophobicContact CD1-CD1 3.78Å; L69-F79 HydrophobicContact CD1-CE1 3.76Å; L69-P125 HydrophobicContact CB-CB 4.04Å; L69-P125 HydrophobicContact CB-CG 4.06Å; L69-P125 WeakPolarHBondContact CB-O 3.37Å; L69-P125 HydrophobicContact CD2-CB 3.91Å; L69-P125 HydrophobicContact CD2-CG 4.02Å; L69-P125 PolarHBondContact N-O 2.92Å; L69-I127 HydrophobicContact CD1-CD1 3.82Å; L69-I127 HydrophobicContact CD1-CG1 3.86Å | ||
| 70 | P | 83.8 | Confident | 87.9 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | trans | -71.3 | 169.5 | 175.6 | 30 | -32.2 | 0 | 0 | 0 | 110.7 | E68 V72 | E68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-V72 HydrophobicContact CG-CG2 4.41Å; P70-V72 WeakPolarHBondContact O-CG2 3.25Å; P70-V72 PolarHBondContact O-N 2.85Å | ||
| 71 | N | 78.9 | Confident | 87.8 | Confident | 164 Ų | 164 | 49.1 Ų | 49.1 | 88% | 0.877 | 27% | 0.266 | S | S | * | . | trans | -59.5 | 130.6 | 170.1 | -65.3 | -12.2 | 0 | 0 | 0 | 109.6 | ||||
| 72 | V | 73.3 | Confident | 87.6 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -143.1 | 123 | -174.8 | 168.8 | 0 | 0 | 0 | 0 | 108.2 | P70 S74 F79 | P70-V72 HydrophobicContact CG-CG2 4.41Å; P70-V72 WeakPolarHBondContact O-CG2 3.25Å; P70-V72 PolarHBondContact O-N 2.85Å; V72-S74 WeakPolarHBondContact CG1-OG 3.49Å; V72-F79 HydrophobicContact CG1-CB 4.02Å; V72-F79 HydrophobicContact CG1-CD2 4.3Å; V72-F79 HydrophobicContact CG1-CG 4.11Å; V72-F79 HydrophobicContact CG2-CD1 4.4Å; V72-F79 HydrophobicContact CG2-CD2 4.11Å; V72-F79 HydrophobicContact CG2-CE2 4.39Å; V72-F79 HydrophobicContact CG2-CG 4.14Å | ||
| 73 | D | 74.2 | Confident | 87.6 | Confident | 178 Ų | 178 | 50.1 Ų | 50.1 | 95% | 0.952 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -84.7 | -12.9 | -178.9 | -49.4 | -60.4 | 0 | 0 | 0 | 113.6 | ||
| 74 | S | 76.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -83.5 | 168.8 | 176.3 | 69 | 0 | 0 | 0 | 0 | 112.3 | V72 L76 | V72-S74 WeakPolarHBondContact CG1-OG 3.49Å; S74-L76 PolarHBondContact O-N 3.37Å |
| 75 | D | 85.4 | Confident | 87.3 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | trans | -56.1 | 135.9 | 171 | -160.2 | -41.1 | 0 | 0 | 0 | 110.5 | D77 D78 F79 | D75-D77 PolarHBondContact OD1-N 2.97Å; D75-D78 HydrophobicContact CB-CB 4.32Å; D75-D78 PolarHBondContact O-N 2.92Å; D75-F79 PolarHBondContact O-N 3.2Å | ||
| 76 | L | 85 | Confident | 87.1 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.8 | -35.1 | -169.3 | -155.9 | 160.2 | 0 | 0 | 0 | 110.5 | L69 S74 F79 V80 V110 | L69-L76 HydrophobicContact CD2-CD1 3.81Å; L69-L76 HydrophobicContact CD2-CD2 4.06Å; L69-L76 HydrophobicContact CD2-CG 3.99Å; S74-L76 PolarHBondContact O-N 3.37Å; L76-F79 PolarHBondContact O-N 3.24Å; L76-V80 HydrophobicContact CD2-CG2 4.2Å; L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.31Å; L76-V110 HydrophobicContact CD2-CG1 4.33Å; L76-V110 HydrophobicContact CD2-CG2 3.7Å |
| 77 | D | 85.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 175 | -83.7 | 25.8 | 0 | 0 | 0 | 111 | D75 Q81 R965 | D75-D77 PolarHBondContact OD1-N 2.97Å; D77-Q81 WeakPolarHBondContact O-CB 3.18Å; D77-Q81 PolarHBondContact O-N 3.06Å; D77-R965 IonicContact OD1-CZ 3.8Å; D77-R965 IonicContact OD1-NH2 2.69Å; D77-R965 PolarHBondContact OD1-NH2 2.89Å; D77-R965 IonicContact OD2-NH2 3.99Å |
| 78 | D | 86.2 | Confident | 86.7 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.8 | -41.6 | 174.6 | -87.6 | -15.9 | 0 | 0 | 0 | 112.1 | D75 V80 Q81 S82 | D75-D78 HydrophobicContact CB-CB 4.32Å; D75-D78 PolarHBondContact O-N 2.92Å; D78-V80 PolarHBondContact O-N 3.41Å; D78-Q81 PolarHBondContact O-N 3.44Å; D78-S82 WeakPolarHBondContact O-CB 3.48Å; D78-S82 PolarHBondContact O-N 2.98Å |
| 79 | F | 90.4 | Very high | 86.6 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 174.4 | 172.6 | -95.6 | 0 | 0 | 0 | 111.4 | L69 V72 D75 L76 Q81 S82 F83 I127 L150 R152 F154 | L69-F79 HydrophobicContact CD1-CD1 3.78Å; L69-F79 HydrophobicContact CD1-CE1 3.76Å; V72-F79 HydrophobicContact CG1-CB 4.02Å; V72-F79 HydrophobicContact CG1-CD2 4.3Å; V72-F79 HydrophobicContact CG1-CG 4.11Å; V72-F79 HydrophobicContact CG2-CD1 4.4Å; V72-F79 HydrophobicContact CG2-CD2 4.11Å; V72-F79 HydrophobicContact CG2-CE2 4.39Å; V72-F79 HydrophobicContact CG2-CG 4.14Å; D75-F79 PolarHBondContact O-N 3.2Å; L76-F79 PolarHBondContact O-N 3.24Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3.5Å; F79-S82 PolarHBondContact O-N 2.86Å; F79-F83 HydrophobicContact CE1-CB 4.23Å; F79-F83 HydrophobicContact CZ-CB 4.1Å; F79-F83 HydrophobicContact CZ-CD2 4.47Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 PolarHBondContact O-N 3.17Å; F79-I127 HydrophobicContact CE1-CD1 4.11Å; F79-L150 HydrophobicContact CE2-CD1 3.66Å; F79-L150 HydrophobicContact CZ-CD1 4.06Å; F79-R152 VanDerWaalsContact CE2-NH2 3.3Å; F79-F154 HydrophobicContact CZ-CE1 4.32Å; F79-F154 HydrophobicContact CZ-CZ 4.29Å |
| 80 | V | 91.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111 | F31 L76 D78 F83 V84 A108 V110 I127 | F31-V80 HydrophobicContact CE1-CG1 4.06Å; F31-V80 HydrophobicContact CZ-CG1 4.16Å; L76-V80 HydrophobicContact CD2-CG2 4.2Å; L76-V80 VanDerWaalsContact O-CG2 3.31Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.31Å; D78-V80 PolarHBondContact O-N 3.41Å; V80-F83 PolarHBondContact O-N 2.93Å; V80-V84 HydrophobicContact CG1-CG2 4.44Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 2.66Å; V80-A108 HydrophobicContact CG1-CB 3.95Å; V80-V110 HydrophobicContact CG2-CG2 4.18Å; V80-I127 HydrophobicContact CG2-CD1 3.92Å; V80-I127 HydrophobicContact CG2-CG1 4.2Å |
| 81 | Q | 90 | Very high | 86.8 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177 | -178.7 | 62.2 | 84.6 | 0 | 0 | 112.5 | D77 D78 F79 L85 | D77-Q81 WeakPolarHBondContact O-CB 3.18Å; D77-Q81 PolarHBondContact O-N 3.06Å; D78-Q81 PolarHBondContact O-N 3.44Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3.5Å; Q81-L85 HydrophobicContact CG-CD1 4.4Å; Q81-L85 WeakPolarHBondContact O-CD1 3.47Å; Q81-L85 VanDerWaalsContact O-CG 3.26Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.38Å |
| 82 | S | 89.9 | Confident | 87.3 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 175.5 | -176 | 0 | 0 | 0 | 0 | 112 | D78 F79 L85 S86 | D78-S82 WeakPolarHBondContact O-CB 3.48Å; D78-S82 PolarHBondContact O-N 2.98Å; F79-S82 PolarHBondContact O-N 2.86Å; S82-L85 PolarHBondContact O-N 3.21Å; S82-S86 PolarHBondContact O-N 2.9Å |
| 83 | F | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 176.5 | 170.7 | -98.9 | 0 | 0 | 0 | 112.4 | I67 F79 V80 L85 S86 L87 I127 L144 V149 L150 F154 | I67-F83 HydrophobicContact CD1-CE1 3.89Å; I67-F83 HydrophobicContact CD1-CZ 3.5Å; F79-F83 HydrophobicContact CE1-CB 4.23Å; F79-F83 HydrophobicContact CZ-CB 4.1Å; F79-F83 HydrophobicContact CZ-CD2 4.47Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 PolarHBondContact O-N 3.17Å; V80-F83 PolarHBondContact O-N 2.93Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3.24Å; F83-S86 PolarHBondContact O-N 3.38Å; F83-L87 HydrophobicContact CE1-CD2 4.24Å; F83-L87 HydrophobicContact CZ-CD2 4.26Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 PolarHBondContact O-N 2.89Å; F83-I127 HydrophobicContact CD1-CD1 4.1Å; F83-I127 HydrophobicContact CE1-CD1 4.37Å; F83-L144 HydrophobicContact CE2-CD2 3.7Å; F83-L144 HydrophobicContact CZ-CD2 3.54Å; F83-V149 HydrophobicContact CD2-CG1 3.77Å; F83-V149 HydrophobicContact CE2-CG1 3.67Å; F83-L150 HydrophobicContact CB-CD1 4.11Å; F83-L150 HydrophobicContact CD2-CD1 4.23Å; F83-F154 AromaticContact CD2-CE1 3.98Å; F83-F154 HydrophobicContact CD2-CE1 3.98Å; F83-F154 HydrophobicContact CD2-CE2 4.06Å; F83-F154 AromaticContact CD2-CZ 3.6Å; F83-F154 HydrophobicContact CD2-CZ 3.6Å; F83-F154 HydrophobicContact CE2-CD1 4.08Å; F83-F154 HydrophobicContact CE2-CD2 4.09Å; F83-F154 AromaticContact CE2-CE1 3.78Å; F83-F154 HydrophobicContact CE2-CE1 3.78Å; F83-F154 AromaticContact CE2-CE2 3.81Å; F83-F154 HydrophobicContact CE2-CE2 3.81Å; F83-F154 HydrophobicContact CE2-CG 4.21Å; F83-F154 AromaticContact CE2-CZ 3.63Å; F83-F154 HydrophobicContact CE2-CZ 3.63Å |
| 84 | V | 92.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | F31 V80 L87 E88 V105 A108 L129 | F31-V84 HydrophobicContact CB-CG1 3.87Å; F31-V84 HydrophobicContact CD1-CB 4.02Å; F31-V84 HydrophobicContact CD1-CG1 3.93Å; F31-V84 HydrophobicContact CD1-CG2 4.09Å; F31-V84 HydrophobicContact CE1-CG2 4.21Å; F31-V84 HydrophobicContact CG-CG1 4.01Å; V80-V84 HydrophobicContact CG1-CG2 4.44Å; V80-V84 WeakPolarHBondContact O-CG2 3.41Å; V80-V84 PolarHBondContact O-N 2.66Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-E88 PolarHBondContact O-N 3.14Å; V84-V105 HydrophobicContact CG1-CB 3.9Å; V84-V105 HydrophobicContact CG1-CG1 3.83Å; V84-V105 HydrophobicContact CG1-CG2 4.12Å; V84-V105 HydrophobicContact CG2-CG1 4.27Å; V84-A108 HydrophobicContact CG2-CB 4.05Å; V84-L129 HydrophobicContact CG2-CD1 4.09Å |
| 85 | L | 90.1 | Very high | 88.4 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 176.9 | -71.2 | 167.9 | 0 | 0 | 0 | 112.4 | Q81 S82 F83 K89 | Q81-L85 HydrophobicContact CG-CD1 4.4Å; Q81-L85 WeakPolarHBondContact O-CD1 3.47Å; Q81-L85 VanDerWaalsContact O-CG 3.26Å; Q81-L85 WeakPolarHBondContact O-CG 3.37Å; Q81-L85 PolarHBondContact O-N 3.38Å; S82-L85 PolarHBondContact O-N 3.21Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3.24Å; L85-K89 WeakPolarHBondContact O-CB 3.24Å; L85-K89 PolarHBondContact O-N 3.02Å; L85-K89 VanDerWaalsContact O-N 3.17Å |
| 86 | S | 92.1 | Very high | 87.7 | Confident | 25 Ų | 25 | 54 Ų | 54 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | S82 F83 S90 L150 | S82-S86 PolarHBondContact O-N 2.9Å; F83-S86 PolarHBondContact O-N 3.38Å; S86-S90 PolarHBondContact O-N 3.36Å; S86-S90 VanDerWaalsContact O-N 3.14Å; S86-S90 PolarHBondContact O-OG 3.3Å; S86-L150 PolarHBondContact OG-N 3.04Å |
| 87 | L | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -50.2 | 177.5 | 178.6 | 58.3 | 0 | 0 | 0 | 112 | F83 V84 K89 S90 I91 L129 I143 L144 V149 | F83-L87 HydrophobicContact CE1-CD2 4.24Å; F83-L87 HydrophobicContact CZ-CD2 4.26Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 PolarHBondContact O-N 2.89Å; V84-L87 PolarHBondContact O-N 3.47Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 3.33Å; L87-S90 PolarHBondContact O-N 3.1Å; L87-S90 VanDerWaalsContact O-N 3.12Å; L87-I91 HydrophobicContact CD1-CD1 3.77Å; L87-I91 HydrophobicContact CD1-CG1 4.11Å; L87-I91 HydrophobicContact CG-CD1 3.75Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.28Å; L87-L129 HydrophobicContact CD2-CD1 4.21Å; L87-L129 HydrophobicContact CD2-CD2 3.48Å; L87-L129 VanDerWaalsContact CD2-CD2 3.48Å; L87-I143 HydrophobicContact CD1-CG2 3.89Å; L87-L144 HydrophobicContact CD1-CD2 4.08Å; L87-L144 HydrophobicContact CD1-CG 4.12Å; L87-L144 HydrophobicContact CD2-CD2 4.46Å; L87-V149 HydrophobicContact CB-CG1 4.41Å; L87-V149 HydrophobicContact CB-CG2 4.41Å; L87-V149 HydrophobicContact CD1-CG2 3.95Å |
| 88 | E | 90.2 | Very high | 85.2 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 176.4 | -82.6 | -139.6 | 171.4 | 0 | 0 | 112.2 | V84 S90 I91 R92 I104 V105 | V84-E88 PolarHBondContact O-N 3.14Å; E88-S90 VanDerWaalsContact C-N 3.31Å; E88-S90 PolarHBondContact O-N 3.35Å; E88-I91 PolarHBondContact O-N 3.23Å; E88-R92 WeakPolarHBondContact O-CB 3.38Å; E88-R92 VanDerWaalsContact O-CG 3.23Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3Å; E88-R92 IonicContact OE1-NH2 3.7Å; E88-R92 IonicContact OE2-CZ 2.66Å; E88-R92 IonicContact OE2-NE 2.9Å; E88-R92 PolarHBondContact OE2-NE 3.34Å; E88-R92 VanDerWaalsContact OE2-NE 3.14Å; E88-R92 IonicContact OE2-NH2 3.79Å; E88-R92 PolarHBondContact OE2-NH2 2.89Å; E88-I104 HydrophobicContact CG-CB 4.15Å; E88-I104 WeakPolarHBondContact OE1-CA 3.35Å; E88-I104 WeakPolarHBondContact OE1-CB 3.35Å; E88-I104 PolarHBondContact OE1-N 2.86Å; E88-V105 HydrophobicContact CG-CB 4.41Å; E88-V105 HydrophobicContact CG-CG2 3.96Å; E88-V105 PolarHBondContact OE1-N 3.1Å |
| 89 | K | 88.1 | Confident | 83.4 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 67% | 0.665 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 175.9 | -177.3 | -175.9 | 176 | -171.6 | 0 | 111.3 | L85 L87 T93 | L85-K89 WeakPolarHBondContact O-CB 3.24Å; L85-K89 PolarHBondContact O-N 3.02Å; L85-K89 VanDerWaalsContact O-N 3.17Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 3.33Å; K89-T93 WeakPolarHBondContact O-CB 3.29Å; K89-T93 PolarHBondContact O-N 2.87Å; K89-T93 VanDerWaalsContact O-N 3.12Å; K89-T93 PolarHBondContact O-OG1 3.36Å |
| 90 | S | 90.3 | Very high | 81.8 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | S86 L87 E88 T93 K94 | S86-S90 PolarHBondContact O-N 3.36Å; S86-S90 VanDerWaalsContact O-N 3.14Å; S86-S90 PolarHBondContact O-OG 3.3Å; L87-S90 PolarHBondContact O-N 3.1Å; L87-S90 VanDerWaalsContact O-N 3.12Å; E88-S90 VanDerWaalsContact C-N 3.31Å; E88-S90 PolarHBondContact O-N 3.35Å; S90-T93 PolarHBondContact O-N 3.36Å; S90-K94 PolarHBondContact O-N 3.02Å |
| 91 | I | 88.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 176.5 | -63.1 | 160.1 | 0 | 0 | 0 | 110.9 | L87 E88 T93 K94 L95 I104 C140 I143 | L87-I91 HydrophobicContact CD1-CD1 3.77Å; L87-I91 HydrophobicContact CD1-CG1 4.11Å; L87-I91 HydrophobicContact CG-CD1 3.75Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.28Å; E88-I91 PolarHBondContact O-N 3.23Å; I91-T93 PolarHBondContact O-N 2.98Å; I91-K94 PolarHBondContact O-N 3.09Å; I91-K94 VanDerWaalsContact O-N 3.13Å; I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 4.18Å; I91-L95 WeakPolarHBondContact O-CB 3.49Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 3.44Å; I91-I104 HydrophobicContact CB-CD1 4.42Å; I91-I104 HydrophobicContact CD1-CG2 3.88Å; I91-I104 HydrophobicContact CG2-CD1 4.03Å; I91-I104 HydrophobicContact CG2-CG2 4.24Å; I91-C140 WeakPolarHBondContact CD1-SG 3.42Å; I91-I143 HydrophobicContact CB-CD1 4.3Å; I91-I143 HydrophobicContact CG1-CD1 3.74Å |
| 92 | R | 88.3 | Confident | 79.6 | Confident | 57 Ų | 57 | 69 Ų | 69 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.3 | -31.3 | 177.7 | -68.8 | 170.2 | -171.6 | -73.9 | -1.3 | 112.5 | E88 V100 D102 I104 | E88-R92 WeakPolarHBondContact O-CB 3.38Å; E88-R92 VanDerWaalsContact O-CG 3.23Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 3Å; E88-R92 IonicContact OE1-NH2 3.7Å; E88-R92 IonicContact OE2-CZ 2.66Å; E88-R92 IonicContact OE2-NE 2.9Å; E88-R92 PolarHBondContact OE2-NE 3.34Å; E88-R92 VanDerWaalsContact OE2-NE 3.14Å; E88-R92 IonicContact OE2-NH2 3.79Å; E88-R92 PolarHBondContact OE2-NH2 2.89Å; R92-V100 PolarHBondContact NH1-O 2.84Å; R92-D102 PolarHBondContact NH1-O 2.77Å; R92-D102 PolarHBondContact NH2-O 2.91Å; R92-I104 HydrophobicContact CG-CD1 3.54Å |
| 93 | T | 86.4 | Confident | 79.3 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72 | -47.3 | 174.6 | -52 | 0 | 0 | 0 | 0 | 111.5 | K89 S90 I91 L95 S96 | K89-T93 WeakPolarHBondContact O-CB 3.29Å; K89-T93 PolarHBondContact O-N 2.87Å; K89-T93 VanDerWaalsContact O-N 3.12Å; K89-T93 PolarHBondContact O-OG1 3.36Å; S90-T93 PolarHBondContact O-N 3.36Å; I91-T93 PolarHBondContact O-N 2.98Å; T93-L95 VanDerWaalsContact C-N 3.29Å; T93-L95 PolarHBondContact O-N 2.98Å; T93-S96 PolarHBondContact O-N 3.28Å |
| 94 | K | 82.7 | Confident | 79.1 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.9 | -24.8 | 179 | -166.4 | 174.4 | 175.5 | -174.3 | 0 | 113.2 | S90 I91 V139 D142 I143 | S90-K94 PolarHBondContact O-N 3.02Å; I91-K94 PolarHBondContact O-N 3.09Å; I91-K94 VanDerWaalsContact O-N 3.13Å; K94-V139 HydrophobicContact CD-CG1 3.91Å; K94-V139 HydrophobicContact CG-CG1 4.5Å; K94-D142 VanDerWaalsContact NZ-CB 3.3Å; K94-D142 IonicContact NZ-OD2 3.44Å; K94-D142 PolarHBondContact NZ-OD2 3.3Å; K94-I143 HydrophobicContact CB-CD1 4.04Å; K94-I143 HydrophobicContact CD-CD1 3.78Å; K94-I143 HydrophobicContact CD-CG1 3.81Å |
| 95 | L | 77.8 | Confident | 79 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.5 | 178.1 | -66.8 | 176.4 | 0 | 0 | 0 | 114.8 | I91 T93 T97 L136 | I91-L95 HydrophobicContact CG2-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CG 4.18Å; I91-L95 WeakPolarHBondContact O-CB 3.49Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 3.44Å; T93-L95 VanDerWaalsContact C-N 3.29Å; T93-L95 PolarHBondContact O-N 2.98Å; L95-T97 WeakPolarHBondContact CB-OG1 3.25Å; L95-T97 WeakPolarHBondContact O-CG2 3.33Å; L95-T97 PolarHBondContact O-N 3.12Å; L95-T97 PolarHBondContact O-OG1 3.06Å; L95-L136 HydrophobicContact CD1-CD2 3.88Å; L95-L136 HydrophobicContact CD2-CD2 4.24Å |
| 96 | S | 72.4 | Confident | 79 | Confident | 107 Ų | 107 | 62.7 Ų | 62.7 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 23.1 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 115.8 | T93 P98 | T93-S96 PolarHBondContact O-N 3.28Å; S96-P98 VanDerWaalsContact C-CD 3.45Å; S96-P98 WeakPolarHBondContact O-CD 3.46Å |
| 97 | T | 62.3 | Low | 79.1 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -127.9 | 60.1 | -168.3 | 36.3 | 0 | 0 | 0 | 0 | 112.4 | L95 N99 | L95-T97 WeakPolarHBondContact CB-OG1 3.25Å; L95-T97 WeakPolarHBondContact O-CG2 3.33Å; L95-T97 PolarHBondContact O-N 3.12Å; L95-T97 PolarHBondContact O-OG1 3.06Å; T97-N99 PolarHBondContact O-N 3.08Å; T97-N99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | P | 54 | Low | 79.1 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.7 | -171.6 | 26.8 | -36.5 | 0 | 0 | 0 | 115 | S96 | S96-P98 VanDerWaalsContact C-CD 3.45Å; S96-P98 WeakPolarHBondContact O-CD 3.46Å |
| 99 | N | 49.6 | Very low | 79.2 | Confident | 154 Ų | 154 | 65.5 Ų | 65.5 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4 | -170.8 | -70.7 | -15.2 | 0 | 0 | 0 | 115.2 | T97 K101 | T97-N99 PolarHBondContact O-N 3.08Å; T97-N99 VanDerWaalsContact O-N 3.1Å; N99-K101 PolarHBondContact O-N 3.49Å |
| 100 | V | 55.8 | Low | 79.5 | Confident | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | trans | -86.5 | 110.7 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | R92 D102 | R92-V100 PolarHBondContact NH1-O 2.84Å; V100-D102 HydrophobicContact CG1-CB 4.15Å; V100-D102 PolarHBondContact O-N 3.02Å | ||
| 101 | K | 62.3 | Low | 79.6 | Confident | 196 Ų | 196 | 62.8 Ų | 62.8 | 85% | 0.852 | 35% | 0.347 | S | S | * | . | trans | -74.8 | 5.1 | -175.5 | -78.5 | -169.7 | 173.9 | -175.5 | 0 | 115.9 | N99 | N99-K101 PolarHBondContact O-N 3.49Š| ||
| 102 | D | 73.4 | Confident | 79.8 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -60.6 | 148.9 | 178.5 | -83.8 | -7.8 | 0 | 0 | 0 | 112.5 | R38 R92 V100 | R38-D102 IonicContact CZ-OD2 2.7Å; R38-D102 IonicContact NE-OD2 2.78Å; R38-D102 PolarHBondContact NE-OD2 2.79Å; R38-D102 IonicContact NH2-OD2 2.89Å; R92-D102 PolarHBondContact NH1-O 2.77Å; R92-D102 PolarHBondContact NH2-O 2.91Å; V100-D102 HydrophobicContact CG1-CB 4.15Å; V100-D102 PolarHBondContact O-N 3.02Å | ||
| 103 | V | 83.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | trans | -66.3 | 134.5 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | A32 C34 V105 V132 | A32-V103 HydrophobicContact CB-CG1 4.29Å; A32-V103 HydrophobicContact CB-CG2 3.95Å; C34-V103 VanDerWaalsContact SG-CG2 3.53Å; V103-V105 WeakPolarHBondContact CG1-O 3.25Å; V103-V132 HydrophobicContact CB-CG2 3.99Å; V103-V132 HydrophobicContact CG1-CG2 3.72Å | ||
| 104 | I | 87.7 | Confident | 80.4 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -104.9 | -53 | 171.4 | -61.8 | 170 | 0 | 0 | 0 | 109.1 | E88 I91 R92 L131 V132 L136 | E88-I104 HydrophobicContact CG-CB 4.15Å; E88-I104 WeakPolarHBondContact OE1-CA 3.35Å; E88-I104 WeakPolarHBondContact OE1-CB 3.35Å; E88-I104 PolarHBondContact OE1-N 2.86Å; I91-I104 HydrophobicContact CB-CD1 4.42Å; I91-I104 HydrophobicContact CD1-CG2 3.88Å; I91-I104 HydrophobicContact CG2-CD1 4.03Å; I91-I104 HydrophobicContact CG2-CG2 4.24Å; R92-I104 HydrophobicContact CG-CD1 3.54Å; I104-L131 HydrophobicContact CG2-CD2 4.38Å; I104-L131 WeakPolarHBondContact O-CA 3.47Å; I104-V132 PolarHBondContact O-N 3.12Å; I104-L136 HydrophobicContact CG2-CD1 3.9Å |
| 105 | V | 91.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 112.7 | 173.8 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | S29 V84 E88 V103 L129 L131 | S29-V105 PolarHBondContact OG-O 3.25Å; S29-V105 VanDerWaalsContact OG-O 3.06Å; V84-V105 HydrophobicContact CG1-CB 3.9Å; V84-V105 HydrophobicContact CG1-CG1 3.83Å; V84-V105 HydrophobicContact CG1-CG2 4.12Å; V84-V105 HydrophobicContact CG2-CG1 4.27Å; E88-V105 HydrophobicContact CG-CB 4.41Å; E88-V105 HydrophobicContact CG-CG2 3.96Å; E88-V105 PolarHBondContact OE1-N 3.1Å; V103-V105 WeakPolarHBondContact CG1-O 3.25Å; V105-L129 HydrophobicContact CG1-CD1 3.63Å; V105-L129 HydrophobicContact CG1-CG 4.32Å; V105-L129 HydrophobicContact CG2-CD1 4.06Å; V105-L131 HydrophobicContact CG2-CD2 4.01Å |
| 106 | F | 91 | Very high | 81.5 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -51.1 | 179.4 | -178.8 | -98.6 | 0 | 0 | 0 | 111.2 | I26 S29 F62 Y130 V132 | I26-F106 WeakPolarHBondContact O-CE2 3.5Å; I26-F106 WeakPolarHBondContact O-CZ 3.42Å; S29-F106 WeakPolarHBondContact CB-O 3.37Å; S29-F106 PolarHBondContact OG-O 2.69Å; S29-F106 VanDerWaalsContact OG-O 3.08Å; F62-F106 HydrophobicContact CD1-CB 4.07Å; F62-F106 HydrophobicContact CD1-CD1 4.04Å; F62-F106 HydrophobicContact CD1-CD2 4.27Å; F62-F106 AromaticContact CD1-CG 3.84Å; F62-F106 HydrophobicContact CD1-CG 3.84Å; F62-F106 HydrophobicContact CD2-CD1 4.02Å; F62-F106 HydrophobicContact CD2-CE1 4.05Å; F62-F106 HydrophobicContact CE1-CB 4.2Å; F62-F106 AromaticContact CE1-CD1 3.97Å; F62-F106 HydrophobicContact CE1-CD1 3.97Å; F62-F106 AromaticContact CE1-CD2 3.57Å; F62-F106 HydrophobicContact CE1-CD2 3.57Å; F62-F106 HydrophobicContact CE1-CE1 4.3Å; F62-F106 AromaticContact CE1-CE2 3.93Å; F62-F106 HydrophobicContact CE1-CE2 3.93Å; F62-F106 AromaticContact CE1-CG 3.61Å; F62-F106 HydrophobicContact CE1-CG 3.61Å; F62-F106 HydrophobicContact CE1-CZ 4.29Å; F62-F106 AromaticContact CE2-CD1 3.96Å; F62-F106 HydrophobicContact CE2-CD1 3.96Å; F62-F106 AromaticContact CE2-CE1 3.65Å; F62-F106 HydrophobicContact CE2-CE1 3.65Å; F62-F106 HydrophobicContact CE2-CE2 4.27Å; F62-F106 HydrophobicContact CE2-CG 4.4Å; F62-F106 AromaticContact CE2-CZ 3.83Å; F62-F106 HydrophobicContact CE2-CZ 3.83Å; F62-F106 HydrophobicContact CG-CD1 4.06Å; F62-F106 HydrophobicContact CG-CG 4.33Å; F62-F106 AromaticContact CZ-CD1 3.93Å; F62-F106 HydrophobicContact CZ-CD1 3.93Å; F62-F106 AromaticContact CZ-CD2 3.74Å; F62-F106 HydrophobicContact CZ-CD2 3.74Å; F62-F106 AromaticContact CZ-CE1 3.78Å; F62-F106 HydrophobicContact CZ-CE1 3.78Å; F62-F106 AromaticContact CZ-CE2 3.58Å; F62-F106 HydrophobicContact CZ-CE2 3.58Å; F62-F106 AromaticContact CZ-CG 3.92Å; F62-F106 HydrophobicContact CZ-CG 3.92Å; F62-F106 AromaticContact CZ-CZ 3.61Å; F62-F106 HydrophobicContact CZ-CZ 3.61Å; F106-Y130 PolarHBondContact N-O 2.86Å; F106-V132 HydrophobicContact CB-CG2 3.98Å; F106-V132 HydrophobicContact CD2-CG2 4.46Å |
| 107 | D | 92.4 | Very high | 82.4 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 164.3 | 179.6 | -173.1 | 37.9 | 0 | 0 | 0 | 111 | Y130 | D107-Y130 HydrophobicContact CB-CD2 4.16Å; D107-Y130 PolarHBondContact N-O 3.18Å; D107-Y130 WeakPolarHBondContact O-CB 3.35Å; D107-Y130 PolarHBondContact O-N 3.03Å |
| 108 | A | 93.5 | Very high | 83.7 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 122.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F31 V80 V84 I127 K128 L129 | F31-A108 HydrophobicContact CE1-CB 4.48Å; F31-A108 HydrophobicContact CE2-CB 3.91Å; F31-A108 VanDerWaalsContact CE2-N 3.32Å; F31-A108 HydrophobicContact CZ-CB 3.8Å; V80-A108 HydrophobicContact CG1-CB 3.95Å; V84-A108 HydrophobicContact CG2-CB 4.05Å; A108-I127 HydrophobicContact CB-CG2 4.28Å; A108-K128 WeakPolarHBondContact CA-O 3.47Å; A108-L129 HydrophobicContact CB-CD1 4.25Å |
| 109 | S | 92.8 | Very high | 85.6 | Confident | 40 Ų | 40 | 40.4 Ų | 40.4 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.3 | 179.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | K128 | S109-K128 PolarHBondContact N-O 2.85Å; S109-K128 PolarHBondContact O-N 3Å |
| 110 | V | 93 | Very high | 87.6 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 36% | 0.358 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.6 | -175.8 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | L76 V80 F126 | L76-V110 HydrophobicContact CD2-CG1 4.33Å; L76-V110 HydrophobicContact CD2-CG2 3.7Å; V80-V110 HydrophobicContact CG2-CG2 4.18Å; V110-F126 WeakPolarHBondContact CA-O 3.45Å |
| 111 | V | 93.5 | Very high | 89 | Confident | 53 Ų | 53 | 34.5 Ų | 34.5 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.1 | -177.1 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | F66 P125 F126 | F66-V111 HydrophobicContact CD1-CG2 4.1Å; F66-V111 HydrophobicContact CE1-CG2 3.8Å; V111-P125 CarbonylContact O-C 3.57Å; V111-P125 WeakPolarHBondContact O-CA 3.39Å; V111-F126 HydrophobicContact CG2-CB 4.08Å; V111-F126 PolarHBondContact N-O 2.87Å; V111-F126 PolarHBondContact O-N 2.54Å |
| 112 | S | 92.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 29 Ų | 29 | 53% | 0.531 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.9 | 174 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | K124 | S112-K124 WeakPolarHBondContact CA-O 3.21Å |
| 113 | G | 93.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K123 K124 N1485 | G113-K123 CarbonylContact O-C 3.53Å; G113-K123 VanDerWaalsContact O-CA 3.31Å; G113-K123 WeakPolarHBondContact O-CA 3.47Å; G113-K124 PolarHBondContact N-O 3.08Å; G113-K124 PolarHBondContact O-N 3.4Å; G113-N1485 WeakPolarHBondContact CA-O 3.5Å |
| 114 | F | 92.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.8 | 169.2 | -61.7 | -76.7 | 0 | 0 | 0 | 109.1 | I116 H120 E121 S122 K123 N1485 F1486 I1487 | F114-I116 PolarHBondContact O-N 2.9Å; F114-H120 HydrophobicContact CD1-CB 4.3Å; F114-E121 WeakPolarHBondContact CE1-O 3.5Å; F114-S122 WeakPolarHBondContact CD1-O 3.37Å; F114-S122 WeakPolarHBondContact CE1-O 3.45Å; F114-K123 HydrophobicContact CD1-CG 4.17Å; F114-K123 HydrophobicContact CD2-CG 4.02Å; F114-K123 HydrophobicContact CE1-CG 3.85Å; F114-K123 HydrophobicContact CE2-CD 4.33Å; F114-K123 HydrophobicContact CE2-CG 3.68Å; F114-K123 HydrophobicContact CG-CG 4.26Å; F114-K123 HydrophobicContact CZ-CG 3.59Å; F114-N1485 PolarHBondContact N-O 3.42Å; F114-F1486 HydrophobicContact CB-CD1 3.36Å; F114-F1486 HydrophobicContact CB-CE1 3.45Å; F114-F1486 VanDerWaalsContact CB-CE1 3.45Å; F114-F1486 HydrophobicContact CB-CG 4.08Å; F114-F1486 HydrophobicContact CB-CZ 4.22Å; F114-F1486 HydrophobicContact CD2-CE1 4.33Å; F114-F1486 HydrophobicContact CD2-CE2 4.42Å; F114-F1486 HydrophobicContact CD2-CZ 4.27Å; F114-F1486 HydrophobicContact CG-CD1 4.28Å; F114-F1486 HydrophobicContact CG-CE1 4.01Å; F114-F1486 HydrophobicContact CG-CZ 4.34Å; F114-F1486 CarbonylContact O-C 3.6Å; F114-F1486 WeakPolarHBondContact O-CA 3.32Å; F114-I1487 PolarHBondContact O-N 3.33Å |
| 115 | S | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 134.3 | 156.4 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | Y117 H120 F1486 | S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 PolarHBondContact OG-N 2.9Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å; S115-Y117 PolarHBondContact OG-O 2.91Å; S115-H120 PolarHBondContact O-CD2 3.37Å; S115-F1486 WeakPolarHBondContact O-CD1 3.27Å |
| 116 | I | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -66 | -17.3 | 171.2 | -164.6 | 170.3 | 0 | 0 | 0 | 112.5 | F114 L1477 A1481 F1486 I1487 L1488 Y1541 S1542 I1598 M1656 | F114-I116 PolarHBondContact O-N 2.9Å; I116-L1477 HydrophobicContact CD1-CD1 4.15Å; I116-L1477 HydrophobicContact CD1-CG 4.4Å; I116-A1481 HydrophobicContact CD1-CB 4.29Å; I116-F1486 HydrophobicContact CB-CB 4.26Å; I116-F1486 HydrophobicContact CB-CD1 4.26Å; I116-I1487 PolarHBondContact N-O 3.21Å; I116-L1488 HydrophobicContact CD1-CD2 3.77Å; I116-L1488 HydrophobicContact CD1-CG 4.4Å; I116-L1488 HydrophobicContact CG2-CB 4.5Å; I116-L1488 HydrophobicContact CG2-CD2 4.17Å; I116-L1488 HydrophobicContact CG2-CG 4.34Å; I116-Y1541 CarbonylContact O-C 3.54Å; I116-Y1541 WeakPolarHBondContact O-CB 3.47Å; I116-S1542 WeakPolarHBondContact O-CA 3.12Å; I116-S1542 PolarHBondContact O-N 3.08Å; I116-S1542 VanDerWaalsContact O-N 3.09Å; I116-I1598 HydrophobicContact CD1-CD1 3.75Å; I116-I1598 HydrophobicContact CG1-CD1 3.79Å; I116-M1656 HydrophobicContact CG2-CE 4.03Å; I116-M1656 HydrophobicContact CG2-SD 3.87Å |
| 117 | Y | 90.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -106.5 | 113.7 | -165.2 | -160.1 | -67.7 | 0 | 0 | 0 | 110 | S115 H120 P1489 Y1541 L1561 G1562 C1563 L1564 M1656 C1658 | S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 PolarHBondContact OG-N 2.9Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å; S115-Y117 PolarHBondContact OG-O 2.91Å; Y117-H120 PolarHBondContact O-NE2 3.49Å; Y117-P1489 HydrophobicContact CD2-CG 4.03Å; Y117-P1489 HydrophobicContact CG-CG 4.23Å; Y117-Y1541 AromaticContact CD2-CD1 3.99Å; Y117-Y1541 HydrophobicContact CD2-CD1 3.99Å; Y117-Y1541 HydrophobicContact CD2-CE1 4.47Å; Y117-Y1541 HydrophobicContact CE2-CD1 4.14Å; Y117-Y1541 HydrophobicContact CE2-CE1 4.36Å; Y117-L1561 HydrophobicContact CD1-CD2 4.37Å; Y117-L1561 HydrophobicContact CE1-CB 4.21Å; Y117-L1561 HydrophobicContact CE1-CD2 4.16Å; Y117-L1561 HydrophobicContact CE1-CG 4.06Å; Y117-L1561 WeakPolarHBondContact CE1-O 3.31Å; Y117-L1561 VanDerWaalsContact CZ-O 3.29Å; Y117-L1561 PolarHBondContact OH-O 2.92Å; Y117-G1562 VanDerWaalsContact OH-CA 3.3Å; Y117-G1562 WeakPolarHBondContact OH-CA 3.21Å; Y117-C1563 PolarHBondContact OH-N 2.88Å; Y117-L1564 HydrophobicContact CD1-CB 4.31Å; Y117-L1564 HydrophobicContact CD1-CD1 4Å; Y117-L1564 HydrophobicContact CD2-CD1 4.13Å; Y117-L1564 HydrophobicContact CE1-CB 4.09Å; Y117-L1564 HydrophobicContact CE1-CD1 4.34Å; Y117-L1564 HydrophobicContact CE2-CD1 4.44Å; Y117-L1564 HydrophobicContact CG-CD1 3.89Å; Y117-M1656 HydrophobicContact CD2-CG 4.33Å; Y117-C1658 HydrophobicContact CE2-CB 3.92Å; Y117-C1658 PolarHBondContact OH-SG 3.47Å |
| 118 | G | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 83.1 | 160.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112 | H120 Y1541 L1544 | G118-H120 PolarHBondContact O-CD2 3.31Å; G118-H120 PolarHBondContact O-N 3.15Å; G118-Y1541 CarbonylContact C-O 3.55Å; G118-Y1541 WeakPolarHBondContact CA-O 3.49Å; G118-Y1541 PolarHBondContact N-O 3.12Å; G118-L1544 CarbonylContact C-O 3.58Å |
| 119 | Y | 93.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | trans | -83.4 | 107.1 | 174.6 | 178.3 | -88.2 | 0 | 0 | 0 | 110.4 | E121 L1544 L1545 L1572 I1576 V1590 I1594 R1595 | Y119-E121 HydrophobicContact CE1-CB 4.3Å; Y119-L1544 WeakPolarHBondContact CB-O 3.43Å; Y119-L1544 PolarHBondContact N-O 3.2Å; Y119-L1545 HydrophobicContact CD1-CD2 3.97Å; Y119-L1545 HydrophobicContact CG-CD2 4.19Å; Y119-L1572 HydrophobicContact CD1-CD2 4.09Å; Y119-L1572 HydrophobicContact CE1-CD1 4.22Å; Y119-L1572 HydrophobicContact CE1-CD2 4.17Å; Y119-I1576 HydrophobicContact CE1-CD1 4.28Å; Y119-V1590 HydrophobicContact CD2-CG1 4.09Å; Y119-V1590 HydrophobicContact CD2-CG2 3.75Å; Y119-V1590 HydrophobicContact CE2-CG1 4.2Å; Y119-V1590 HydrophobicContact CE2-CG2 3.84Å; Y119-V1590 HydrophobicContact CG-CG1 4.36Å; Y119-I1594 HydrophobicContact CE2-CG2 4.14Å; Y119-I1594 WeakPolarHBondContact OH-CG2 3.4Å; Y119-R1595 HydrophobicContact CE2-CB 4.19Å | ||
| 120 | H | 91.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | trans | -102.1 | 123.7 | 172.5 | -58 | -93.3 | 0 | 0 | 0 | 109.7 | F114 S115 Y117 G118 H1566 R1595 | F114-H120 HydrophobicContact CD1-CB 4.3Å; S115-H120 PolarHBondContact O-CD2 3.37Å; Y117-H120 PolarHBondContact O-NE2 3.49Å; G118-H120 PolarHBondContact O-CD2 3.31Å; G118-H120 PolarHBondContact O-N 3.15Å; H120-H1566 AromaticContact CE1-CE1 3.57Å; H120-H1566 AromaticContact CE1-ND1 3.71Å; H120-H1566 AromaticContact NE2-CE1 3.66Å; H120-H1566 AromaticContact NE2-ND1 3.92Å; H120-R1595 VanDerWaalsContact O-CZ 3.28Å; H120-R1595 PolarHBondContact O-NH1 3.49Å; H120-R1595 PolarHBondContact O-NH2 3.36Å | ||
| 121 | E | 86.2 | Confident | 92.5 | Very high | 81 Ų | 81 | 31.4 Ų | 31.4 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -69.5 | -47.9 | 179.1 | -176.2 | -176.8 | -165.7 | 0 | 0 | 111.9 | F114 Y119 L1572 R1575 | F114-E121 WeakPolarHBondContact CE1-O 3.5Å; Y119-E121 HydrophobicContact CE1-CB 4.3Å; E121-L1572 HydrophobicContact CB-CD1 4.34Å; E121-R1575 IonicContact OE1-CZ 2.76Å; E121-R1575 IonicContact OE1-NH1 2.7Å; E121-R1575 PolarHBondContact OE1-NH1 3.15Å; E121-R1575 IonicContact OE2-CZ 3.69Å; E121-R1575 VanDerWaalsContact OE2-CZ 3.26Å; E121-R1575 IonicContact OE2-NH1 2.85Å; E121-R1575 PolarHBondContact OE2-NH1 3.16Å; E121-R1575 IonicContact OE2-NH2 3.26Å; E121-R1575 PolarHBondContact OE2-NH2 2.76Å |
| 122 | S | 89.2 | Confident | 92.3 | Very high | 81 Ų | 81 | 28.9 Ų | 28.9 | 57% | 0.566 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -109.7 | 161.2 | -175.3 | 62 | 0 | 0 | 0 | 0 | 112.4 | F114 | F114-S122 WeakPolarHBondContact CD1-O 3.37Å; F114-S122 WeakPolarHBondContact CE1-O 3.45Å |
| 123 | K | 91.2 | Very high | 92.1 | Very high | 88 Ų | 88 | 26 Ų | 26 | 38% | 0.383 | 13% | 0.131 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 130.5 | 176.4 | -69.5 | -173 | 178.5 | -174 | 0 | 110.6 | G113 F114 N1485 | G113-K123 CarbonylContact O-C 3.53Å; G113-K123 VanDerWaalsContact O-CA 3.31Å; G113-K123 WeakPolarHBondContact O-CA 3.47Å; F114-K123 HydrophobicContact CD1-CG 4.17Å; F114-K123 HydrophobicContact CD2-CG 4.02Å; F114-K123 HydrophobicContact CE1-CG 3.85Å; F114-K123 HydrophobicContact CE2-CD 4.33Å; F114-K123 HydrophobicContact CE2-CG 3.68Å; F114-K123 HydrophobicContact CG-CG 4.26Å; F114-K123 HydrophobicContact CZ-CG 3.59Å; K123-N1485 PolarHBondContact NZ-OD1 2.84Å |
| 124 | K | 90.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 29% | 0.287 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 154.3 | 171.6 | -67.5 | -170.7 | 175.2 | -173.8 | 0 | 111.8 | E68 S112 G113 F126 | E68-K124 HydrophobicContact CG-CD 4.39Å; E68-K124 WeakPolarHBondContact OE1-CD 3.32Å; E68-K124 WeakPolarHBondContact OE1-CE 3.48Å; E68-K124 IonicContact OE1-NZ 3.96Å; E68-K124 PolarHBondContact OE1-NZ 3.4Å; E68-K124 IonicContact OE2-NZ 2.82Å; S112-K124 WeakPolarHBondContact CA-O 3.21Å; G113-K124 PolarHBondContact N-O 3.08Å; G113-K124 PolarHBondContact O-N 3.4Å; K124-F126 HydrophobicContact CB-CE2 3.84Å; K124-F126 HydrophobicContact CB-CZ 4.38Å; K124-F126 WeakPolarHBondContact O-CD2 3.13Å |
| 125 | P | 93.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 27.9 Ų | 27.9 | 34% | 0.338 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 141.8 | 168.6 | 30.5 | -32.1 | 0 | 0 | 0 | 112.1 | L69 V111 | L69-P125 HydrophobicContact CB-CB 4.04Å; L69-P125 HydrophobicContact CB-CG 4.06Å; L69-P125 WeakPolarHBondContact CB-O 3.37Å; L69-P125 HydrophobicContact CD2-CB 3.91Å; L69-P125 HydrophobicContact CD2-CG 4.02Å; L69-P125 PolarHBondContact N-O 2.92Å; V111-P125 CarbonylContact O-C 3.57Å; V111-P125 WeakPolarHBondContact O-CA 3.39Å |
| 126 | F | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.9 | 175.5 | -67.1 | -100 | 0 | 0 | 0 | 110.5 | I67 E68 V110 V111 K124 Y157 I1487 | I67-F126 CarbonylContact O-C 3.54Å; I67-F126 WeakPolarHBondContact O-CA 3.46Å; I67-F126 WeakPolarHBondContact O-CB 3.46Å; E68-F126 HydrophobicContact CB-CD1 4.11Å; E68-F126 HydrophobicContact CB-CE1 3.9Å; E68-F126 HydrophobicContact CG-CE1 4.19Å; E68-F126 HydrophobicContact CG-CZ 4.49Å; V110-F126 WeakPolarHBondContact CA-O 3.45Å; V111-F126 HydrophobicContact CG2-CB 4.08Å; V111-F126 PolarHBondContact N-O 2.87Å; V111-F126 PolarHBondContact O-N 2.54Å; K124-F126 HydrophobicContact CB-CE2 3.84Å; K124-F126 HydrophobicContact CB-CZ 4.38Å; K124-F126 WeakPolarHBondContact O-CD2 3.13Å; F126-Y157 HydrophobicContact CD1-CD2 4.38Å; F126-Y157 HydrophobicContact CD1-CE2 4.49Å; F126-Y157 HydrophobicContact CE1-CD1 4.2Å; F126-Y157 HydrophobicContact CE1-CD2 4.01Å; F126-Y157 HydrophobicContact CE1-CE1 4.02Å; F126-Y157 AromaticContact CE1-CE2 3.79Å; F126-Y157 HydrophobicContact CE1-CE2 3.79Å; F126-Y157 HydrophobicContact CE1-CG 4.22Å; F126-Y157 AromaticContact CE1-CZ 3.81Å; F126-I1487 HydrophobicContact CB-CD1 4.34Å; F126-I1487 HydrophobicContact CD1-CD1 4.22Å; F126-I1487 HydrophobicContact CD2-CD1 3.75Å; F126-I1487 HydrophobicContact CE2-CD1 4.05Å; F126-I1487 HydrophobicContact CG-CD1 3.86Å; F126-I1487 HydrophobicContact CZ-CD1 4.43Å |
| 127 | I | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123 | 164.4 | -57.2 | 172.4 | 0 | 0 | 0 | 108 | F66 I67 L69 F79 V80 F83 A108 | F66-I127 CarbonylContact C-O 3.48Å; F66-I127 WeakPolarHBondContact CA-O 3.42Å; I67-I127 PolarHBondContact N-O 3.14Å; I67-I127 PolarHBondContact O-N 2.71Å; L69-I127 HydrophobicContact CD1-CD1 3.82Å; L69-I127 HydrophobicContact CD1-CG1 3.86Å; F79-I127 HydrophobicContact CE1-CD1 4.11Å; V80-I127 HydrophobicContact CG2-CD1 3.92Å; V80-I127 HydrophobicContact CG2-CG1 4.2Å; F83-I127 HydrophobicContact CD1-CD1 4.1Å; F83-I127 HydrophobicContact CE1-CD1 4.37Å; A108-I127 HydrophobicContact CB-CG2 4.28Å |
| 128 | K | 95.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 32 Ų | 32 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.6 | 163 | -169.1 | 176.7 | -174.8 | -177.6 | 0 | 108.6 | Y64 F66 A108 S109 Y130 | Y64-K128 HydrophobicContact CD2-CD 4.45Å; Y64-K128 HydrophobicContact CD2-CG 4.41Å; Y64-K128 VanDerWaalsContact CE1-NZ 3.31Å; Y64-K128 HydrophobicContact CG-CD 4.41Å; Y64-K128 HydrophobicContact CG-CG 4.39Å; F66-K128 HydrophobicContact CD1-CB 3.75Å; F66-K128 HydrophobicContact CD1-CD 4.39Å; F66-K128 HydrophobicContact CD1-CG 3.86Å; F66-K128 HydrophobicContact CE1-CB 3.6Å; F66-K128 HydrophobicContact CE1-CD 3.52Å; F66-K128 HydrophobicContact CE1-CG 3.49Å; F66-K128 VanDerWaalsContact CE1-CG 3.49Å; F66-K128 HydrophobicContact CZ-CD 3.69Å; F66-K128 HydrophobicContact CZ-CG 4Å; A108-K128 WeakPolarHBondContact CA-O 3.47Å; S109-K128 PolarHBondContact N-O 2.85Å; S109-K128 PolarHBondContact O-N 3Å; K128-Y130 HydrophobicContact CD-CE1 4.33Å; K128-Y130 HydrophobicContact CD-CE2 3.99Å; K128-Y130 WeakPolarHBondContact CD-OH 3.41Å; K128-Y130 WeakPolarHBondContact CE-OH 3.22Å; K128-Y130 HydrophobicContact CG-CE2 4.1Å; K128-Y130 PolarHBondContact NZ-OH 2.87Å |
| 129 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.4 | 179.2 | -173.5 | 85.6 | 0 | 0 | 0 | 109.5 | Y64 I65 V84 L87 V105 A108 L131 | Y64-L129 WeakPolarHBondContact CA-O 3.42Å; Y64-L129 WeakPolarHBondContact CB-O 3.49Å; I65-L129 HydrophobicContact CD1-CD2 3.99Å; I65-L129 HydrophobicContact CG1-CB 3.99Å; I65-L129 HydrophobicContact CG1-CD2 4.02Å; I65-L129 PolarHBondContact N-O 2.83Å; I65-L129 PolarHBondContact O-N 3.47Å; V84-L129 HydrophobicContact CG2-CD1 4.09Å; L87-L129 HydrophobicContact CD2-CD1 4.21Å; L87-L129 HydrophobicContact CD2-CD2 3.48Å; L87-L129 VanDerWaalsContact CD2-CD2 3.48Å; V105-L129 HydrophobicContact CG1-CD1 3.63Å; V105-L129 HydrophobicContact CG1-CG 4.32Å; V105-L129 HydrophobicContact CG2-CD1 4.06Å; A108-L129 HydrophobicContact CB-CD1 4.25Å; L129-L131 HydrophobicContact CD2-CD2 3.87Å; L129-L131 HydrophobicContact CD2-CG 4.39Å; L129-L131 HydrophobicContact CG-CD2 4.41Å |
| 130 | Y | 95.2 | Very high | 91.3 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.3 | 173.7 | -65.9 | -88.2 | 0 | 0 | 0 | 110.6 | F62 P63 Y64 F106 D107 K128 | F62-Y130 HydrophobicContact CB-CD1 3.94Å; P63-Y130 WeakPolarHBondContact O-CA 3.48Å; Y64-Y130 HydrophobicContact CD1-CD1 4.23Å; Y64-Y130 AromaticContact CD1-CE1 3.9Å; Y64-Y130 HydrophobicContact CD1-CE1 3.9Å; Y64-Y130 HydrophobicContact CG-CD1 4.48Å; Y64-Y130 HydrophobicContact CG-CE1 4.35Å; F106-Y130 PolarHBondContact N-O 2.86Å; D107-Y130 HydrophobicContact CB-CD2 4.16Å; D107-Y130 PolarHBondContact N-O 3.18Å; D107-Y130 WeakPolarHBondContact O-CB 3.35Å; D107-Y130 PolarHBondContact O-N 3.03Å; K128-Y130 HydrophobicContact CD-CE1 4.33Å; K128-Y130 HydrophobicContact CD-CE2 3.99Å; K128-Y130 WeakPolarHBondContact CD-OH 3.41Å; K128-Y130 WeakPolarHBondContact CE-OH 3.22Å; K128-Y130 HydrophobicContact CG-CE2 4.1Å; K128-Y130 PolarHBondContact NZ-OH 2.87Å |
| 131 | L | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 157.9 | 176.5 | -61.8 | 177 | 0 | 0 | 0 | 110.5 | P63 I104 V105 L129 L136 I137 C140 | P63-L131 VanDerWaalsContact CD-O 3.27Å; P63-L131 WeakPolarHBondContact CD-O 3.12Å; P63-L131 HydrophobicContact CG-CB 4.28Å; P63-L131 VanDerWaalsContact CG-O 3.3Å; P63-L131 WeakPolarHBondContact CG-O 3.33Å; P63-L131 PolarHBondContact O-N 3.1Å; I104-L131 HydrophobicContact CG2-CD2 4.38Å; I104-L131 WeakPolarHBondContact O-CA 3.47Å; V105-L131 HydrophobicContact CG2-CD2 4.01Å; L129-L131 HydrophobicContact CD2-CD2 3.87Å; L129-L131 HydrophobicContact CD2-CG 4.39Å; L129-L131 HydrophobicContact CG-CD2 4.41Å; L131-L136 HydrophobicContact CD1-CB 4.36Å; L131-I137 HydrophobicContact CD1-CG1 3.86Å; L131-C140 HydrophobicContact CD1-CB 4.35Å |
| 132 | V | 89.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -77.1 | -36.4 | 170.8 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | R38 P40 V103 I104 F106 | R38-V132 HydrophobicContact CG-CG1 4.25Å; R38-V132 VanDerWaalsContact O-CG1 3.23Å; R38-V132 WeakPolarHBondContact O-CG1 3.42Å; P40-V132 WeakPolarHBondContact CD-O 3.33Å; P40-V132 WeakPolarHBondContact CG-O 3.39Å; V103-V132 HydrophobicContact CB-CG2 3.99Å; V103-V132 HydrophobicContact CG1-CG2 3.72Å; I104-V132 PolarHBondContact O-N 3.12Å; F106-V132 HydrophobicContact CB-CG2 3.98Å; F106-V132 HydrophobicContact CD2-CG2 4.46Å |
| 133 | D | 88.5 | Confident | 91.8 | Very high | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | trans | -118.9 | 114.9 | -165.5 | -168.4 | -35 | 0 | 0 | 0 | 111.3 | F17 R38 S135 L136 | F17-D133 HydrophobicContact CZ-CB 4.14Å; R38-D133 IonicContact CZ-OD2 3.5Å; R38-D133 IonicContact NH1-OD2 2.75Å; R38-D133 PolarHBondContact NH1-OD2 3.49Å; D133-S135 VanDerWaalsContact CG-OG 3.31Å; D133-S135 PolarHBondContact O-N 2.72Å; D133-S135 WeakPolarHBondContact OD1-CB 3.26Å; D133-S135 PolarHBondContact OD1-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 3.35Å; D133-L136 HydrophobicContact CB-CD1 3.93Å; D133-L136 HydrophobicContact CB-CG 3.96Å; D133-L136 PolarHBondContact O-N 3.41Å; D133-L136 VanDerWaalsContact O-N 3.14Å | ||
| 134 | P | 89 | Confident | 91.9 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.9 | -179.2 | -24.5 | 33.9 | 0 | 0 | 0 | 114.4 | Y15 P63 L136 I137 Y163 | Y15-P134 HydrophobicContact CD2-CG 4.18Å; Y15-P134 HydrophobicContact CE1-CG 4.45Å; Y15-P134 HydrophobicContact CE2-CB 4.36Å; Y15-P134 HydrophobicContact CE2-CG 3.68Å; P63-P134 HydrophobicContact CB-CB 4.23Å; P63-P134 HydrophobicContact CB-CG 4.13Å; P63-P134 HydrophobicContact CG-CB 4.33Å; P63-P134 HydrophobicContact CG-CG 3.85Å; P134-L136 PolarHBondContact O-N 3.37Å; P134-I137 PolarHBondContact O-N 2.94Å; P134-Y163 HydrophobicContact CB-CD1 3.97Å; P134-Y163 HydrophobicContact CB-CG 4.09Å; P134-Y163 HydrophobicContact CG-CD1 3.5Å; P134-Y163 HydrophobicContact CG-CE1 3.82Å; P134-Y163 HydrophobicContact CG-CG 3.93Å |
| 135 | S | 85.1 | Confident | 92 | Very high | 59 Ų | 59 | 23.4 Ų | 23.4 | 41% | 0.413 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.5 | 179 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | D133 | D133-S135 VanDerWaalsContact CG-OG 3.31Å; D133-S135 PolarHBondContact O-N 2.72Å; D133-S135 WeakPolarHBondContact OD1-CB 3.26Å; D133-S135 PolarHBondContact OD1-N 3.12Å; D133-S135 PolarHBondContact OD1-OG 3.35Å |
| 136 | L | 89.7 | Confident | 91.8 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -83.2 | -12.8 | -179 | -61.2 | -177.5 | 0 | 0 | 0 | 113.6 | L95 I104 L131 D133 P134 V139 C140 | L95-L136 HydrophobicContact CD1-CD2 3.88Å; L95-L136 HydrophobicContact CD2-CD2 4.24Å; I104-L136 HydrophobicContact CG2-CD1 3.9Å; L131-L136 HydrophobicContact CD1-CB 4.36Å; D133-L136 HydrophobicContact CB-CD1 3.93Å; D133-L136 HydrophobicContact CB-CG 3.96Å; D133-L136 PolarHBondContact O-N 3.41Å; D133-L136 VanDerWaalsContact O-N 3.14Å; P134-L136 PolarHBondContact O-N 3.37Å; L136-V139 PolarHBondContact O-N 2.96Å; L136-V139 VanDerWaalsContact O-N 3.16Å; L136-C140 WeakPolarHBondContact O-CB 3.4Å; L136-C140 PolarHBondContact O-N 3.27Å; L136-C140 PolarHBondContact O-SG 3.14Å |
| 137 | I | 91.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 5% | 0.046 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.4 | -51.3 | -178.9 | -81.2 | -174.2 | 0 | 0 | 0 | 112.6 | P63 I65 L131 P134 V139 C140 S141 S159 | P63-I137 HydrophobicContact CB-CD1 3.88Å; I65-I137 HydrophobicContact CG2-CB 4.43Å; I65-I137 HydrophobicContact CG2-CD1 4.08Å; I65-I137 HydrophobicContact CG2-CG1 3.99Å; I65-I137 HydrophobicContact CG2-CG2 3.84Å; L131-I137 HydrophobicContact CD1-CG1 3.86Å; P134-I137 PolarHBondContact O-N 2.94Å; I137-V139 PolarHBondContact O-N 2.86Å; I137-C140 PolarHBondContact O-N 2.82Å; I137-S141 WeakPolarHBondContact O-CB 3.35Å; I137-S141 PolarHBondContact O-N 2.83Å; I137-S159 VanDerWaalsContact CG2-O 3.27Å; I137-S159 WeakPolarHBondContact CG2-O 3.41Å |
| 138 | P | 88.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 29.4 Ų | 29.4 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.7 | -23.2 | 34.9 | 0 | 0 | 0 | 112.3 | C140 S141 D142 | P138-C140 VanDerWaalsContact C-N 3.33Å; P138-C140 PolarHBondContact O-N 2.82Å; P138-S141 WeakPolarHBondContact O-CA 3.45Å; P138-S141 VanDerWaalsContact O-CB 3.29Å; P138-S141 WeakPolarHBondContact O-CB 3.41Å; P138-S141 PolarHBondContact O-N 3.32Å; P138-D142 PolarHBondContact O-N 3.09Å |
| 139 | V | 90.2 | Very high | 90.8 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | K94 L136 I137 I143 | K94-V139 HydrophobicContact CD-CG1 3.91Å; K94-V139 HydrophobicContact CG-CG1 4.5Å; L136-V139 PolarHBondContact O-N 2.96Å; L136-V139 VanDerWaalsContact O-N 3.16Å; I137-V139 PolarHBondContact O-N 2.86Å; V139-I143 HydrophobicContact CG1-CD1 4.18Å; V139-I143 WeakPolarHBondContact O-CD1 3.38Å; V139-I143 VanDerWaalsContact O-CG1 3.28Å; V139-I143 WeakPolarHBondContact O-CG1 3.28Å; V139-I143 PolarHBondContact O-N 2.93Å |
| 140 | C | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 111 | I65 I91 L131 L136 I137 P138 I143 L144 | I65-C140 HydrophobicContact CD1-CB 4.3Å; I91-C140 WeakPolarHBondContact CD1-SG 3.42Å; L131-C140 HydrophobicContact CD1-CB 4.35Å; L136-C140 WeakPolarHBondContact O-CB 3.4Å; L136-C140 PolarHBondContact O-N 3.27Å; L136-C140 PolarHBondContact O-SG 3.14Å; I137-C140 PolarHBondContact O-N 2.82Å; P138-C140 VanDerWaalsContact C-N 3.33Å; P138-C140 PolarHBondContact O-N 2.82Å; C140-I143 PolarHBondContact O-N 2.81Å; C140-L144 WeakPolarHBondContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CD1 3.3Å; C140-L144 VanDerWaalsContact O-CG 3.25Å; C140-L144 WeakPolarHBondContact O-CG 3.46Å; C140-L144 PolarHBondContact O-N 2.94Å |
| 141 | S | 93.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 178 | -144.6 | 0 | 0 | 0 | 0 | 111.5 | I137 P138 I143 L144 L145 T156 S159 | I137-S141 WeakPolarHBondContact O-CB 3.35Å; I137-S141 PolarHBondContact O-N 2.83Å; P138-S141 WeakPolarHBondContact O-CA 3.45Å; P138-S141 VanDerWaalsContact O-CB 3.29Å; P138-S141 WeakPolarHBondContact O-CB 3.41Å; P138-S141 PolarHBondContact O-N 3.32Å; S141-I143 VanDerWaalsContact C-N 3.33Å; S141-I143 PolarHBondContact O-N 2.72Å; S141-L144 PolarHBondContact O-N 3.35Å; S141-L145 WeakPolarHBondContact O-CB 3.42Å; S141-L145 WeakPolarHBondContact O-CD1 3.46Å; S141-L145 VanDerWaalsContact O-CG 3.28Å; S141-L145 WeakPolarHBondContact O-CG 3.36Å; S141-L145 PolarHBondContact O-N 3.25Å; S141-T156 PolarHBondContact OG-OG1 2.88Å; S141-S159 WeakPolarHBondContact OG-CB 3.43Å; S141-S159 PolarHBondContact OG-OG 3.33Å |
| 142 | D | 91.2 | Very high | 90 | Very high | 86 Ų | 86 | 39.9 Ų | 39.9 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 176 | -63.7 | -16.1 | 0 | 0 | 0 | 112.4 | K94 P138 L144 L145 S146 | K94-D142 VanDerWaalsContact NZ-CB 3.3Å; K94-D142 IonicContact NZ-OD2 3.44Å; K94-D142 PolarHBondContact NZ-OD2 3.3Å; P138-D142 PolarHBondContact O-N 3.09Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.4Å; D142-L145 PolarHBondContact O-N 3.29Å; D142-S146 VanDerWaalsContact O-CB 3.25Å; D142-S146 WeakPolarHBondContact O-CB 3.1Å; D142-S146 PolarHBondContact O-N 2.92Å; D142-S146 PolarHBondContact O-OG 3.45Å |
| 143 | I | 92.8 | Very high | 90 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -33.4 | -176.5 | -77 | 169.8 | 0 | 0 | 0 | 111.7 | L87 I91 K94 V139 C140 S141 S146 V149 | L87-I143 HydrophobicContact CD1-CG2 3.89Å; I91-I143 HydrophobicContact CB-CD1 4.3Å; I91-I143 HydrophobicContact CG1-CD1 3.74Å; K94-I143 HydrophobicContact CB-CD1 4.04Å; K94-I143 HydrophobicContact CD-CD1 3.78Å; K94-I143 HydrophobicContact CD-CG1 3.81Å; V139-I143 HydrophobicContact CG1-CD1 4.18Å; V139-I143 WeakPolarHBondContact O-CD1 3.38Å; V139-I143 VanDerWaalsContact O-CG1 3.28Å; V139-I143 WeakPolarHBondContact O-CG1 3.28Å; V139-I143 PolarHBondContact O-N 2.93Å; C140-I143 PolarHBondContact O-N 2.81Å; S141-I143 VanDerWaalsContact C-N 3.33Å; S141-I143 PolarHBondContact O-N 2.72Å; I143-S146 PolarHBondContact O-OG 3.38Å; I143-V149 HydrophobicContact CG2-CG2 3.57Å |
| 144 | L | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.3 | -41.4 | 176.5 | -71.7 | 165.4 | 0 | 0 | 0 | 111.3 | I65 I67 F83 L87 C140 S141 D142 V149 P153 F154 T156 | I65-L144 HydrophobicContact CD1-CD1 3.65Å; I67-L144 HydrophobicContact CD1-CD1 3.54Å; I67-L144 HydrophobicContact CD1-CD2 4.16Å; I67-L144 HydrophobicContact CG1-CD1 4.33Å; F83-L144 HydrophobicContact CE2-CD2 3.7Å; F83-L144 HydrophobicContact CZ-CD2 3.54Å; L87-L144 HydrophobicContact CD1-CD2 4.08Å; L87-L144 HydrophobicContact CD1-CG 4.12Å; L87-L144 HydrophobicContact CD2-CD2 4.46Å; C140-L144 WeakPolarHBondContact O-CB 3.28Å; C140-L144 WeakPolarHBondContact O-CD1 3.3Å; C140-L144 VanDerWaalsContact O-CG 3.25Å; C140-L144 WeakPolarHBondContact O-CG 3.46Å; C140-L144 PolarHBondContact O-N 2.94Å; S141-L144 PolarHBondContact O-N 3.35Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.4Å; L144-V149 HydrophobicContact CD2-CB 4.34Å; L144-V149 HydrophobicContact CD2-CG1 4.44Å; L144-V149 HydrophobicContact CD2-CG2 4.11Å; L144-P153 WeakPolarHBondContact O-CA 3.42Å; L144-F154 HydrophobicContact CB-CB 4.2Å; L144-F154 HydrophobicContact CD2-CB 4.15Å; L144-F154 HydrophobicContact CD2-CD2 4.33Å; L144-F154 HydrophobicContact CD2-CG 4.38Å; L144-F154 PolarHBondContact O-N 3.17Å; L144-T156 HydrophobicContact CB-CG2 3.78Å; L144-T156 HydrophobicContact CD1-CG2 3.71Å; L144-T156 HydrophobicContact CG-CG2 4.4Å |
| 145 | L | 91.3 | Very high | 90.4 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.6 | -27.1 | 179.6 | -67.8 | 162.3 | 0 | 0 | 0 | 112.9 | S141 D142 G147 | S141-L145 WeakPolarHBondContact O-CB 3.42Å; S141-L145 WeakPolarHBondContact O-CD1 3.46Å; S141-L145 VanDerWaalsContact O-CG 3.28Å; S141-L145 WeakPolarHBondContact O-CG 3.36Å; S141-L145 PolarHBondContact O-N 3.25Å; D142-L145 PolarHBondContact O-N 3.29Å; L145-G147 VanDerWaalsContact C-N 3.27Å; L145-G147 PolarHBondContact O-N 2.82Å |
| 146 | S | 90.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.6 | 177.8 | 69.9 | 0 | 0 | 0 | 0 | 115 | D142 I143 V148 | D142-S146 VanDerWaalsContact O-CB 3.25Å; D142-S146 WeakPolarHBondContact O-CB 3.1Å; D142-S146 PolarHBondContact O-N 2.92Å; D142-S146 PolarHBondContact O-OG 3.45Å; I143-S146 PolarHBondContact O-OG 3.38Å; S146-V148 VanDerWaalsContact C-N 3.31Å; S146-V148 PolarHBondContact O-N 3.24Å; S146-V148 WeakPolarHBondContact OG-CG2 3.5Å |
| 147 | G | 87.8 | Confident | 91.2 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 6.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | L145 V149 N151 R152 | L145-G147 VanDerWaalsContact C-N 3.27Å; L145-G147 PolarHBondContact O-N 2.82Å; G147-V149 VanDerWaalsContact C-N 3.25Å; G147-V149 PolarHBondContact O-N 3.02Å; G147-N151 CarbonylContact O-C 3.56Å; G147-N151 VanDerWaalsContact O-C 3.31Å; G147-N151 VanDerWaalsContact O-CA 3.26Å; G147-N151 WeakPolarHBondContact O-CA 3.42Å; G147-R152 VanDerWaalsContact CA-C 3.43Å; G147-R152 WeakPolarHBondContact CA-O 3.08Å; G147-R152 PolarHBondContact O-N 3.38Å; G147-R152 VanDerWaalsContact O-N 3.1Å |
| 148 | V | 89.4 | Confident | 91.3 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | trans | -69 | -23.8 | 179.9 | 177 | 0 | 0 | 0 | 0 | 112.4 | S146 | S146-V148 VanDerWaalsContact C-N 3.31Å; S146-V148 PolarHBondContact O-N 3.24Å; S146-V148 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 149 | V | 88.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -82.6 | 121.8 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | F83 L87 I143 L144 G147 N151 R152 F154 | F83-V149 HydrophobicContact CD2-CG1 3.77Å; F83-V149 HydrophobicContact CE2-CG1 3.67Å; L87-V149 HydrophobicContact CB-CG1 4.41Å; L87-V149 HydrophobicContact CB-CG2 4.41Å; L87-V149 HydrophobicContact CD1-CG2 3.95Å; I143-V149 HydrophobicContact CG2-CG2 3.57Å; L144-V149 HydrophobicContact CD2-CB 4.34Å; L144-V149 HydrophobicContact CD2-CG1 4.44Å; L144-V149 HydrophobicContact CD2-CG2 4.11Å; G147-V149 VanDerWaalsContact C-N 3.25Å; G147-V149 PolarHBondContact O-N 3.02Å; V149-N151 PolarHBondContact O-N 3.16Å; V149-R152 PolarHBondContact O-N 3.11Å; V149-F154 HydrophobicContact CB-CD2 4.47Å; V149-F154 HydrophobicContact CB-CE2 4.32Å; V149-F154 HydrophobicContact CG1-CE2 4.12Å; V149-F154 WeakPolarHBondContact O-CE2 3.38Å |
| 150 | L | 89.3 | Confident | 91.6 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | 48.4 | 29.2 | -177.4 | -56.7 | -179 | 0 | 0 | 0 | 114.7 | F79 F83 S86 R152 F154 | F79-L150 HydrophobicContact CE2-CD1 3.66Å; F79-L150 HydrophobicContact CZ-CD1 4.06Å; F83-L150 HydrophobicContact CB-CD1 4.11Å; F83-L150 HydrophobicContact CD2-CD1 4.23Å; S86-L150 PolarHBondContact OG-N 3.04Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.38Å; L150-F154 HydrophobicContact CB-CE2 4.49Å; L150-F154 HydrophobicContact CD1-CZ 4.38Å |
| 151 | N | 88.2 | Confident | 91.6 | Very high | 155 Ų | 155 | 38.9 Ų | 38.9 | 83% | 0.829 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | 53.6 | 31 | -178.5 | -62.6 | -0.6 | 0 | 0 | 0 | 115.2 | G147 V149 | G147-N151 CarbonylContact O-C 3.56Å; G147-N151 VanDerWaalsContact O-C 3.31Å; G147-N151 VanDerWaalsContact O-CA 3.26Å; G147-N151 WeakPolarHBondContact O-CA 3.42Å; V149-N151 PolarHBondContact O-N 3.16Å |
| 152 | R | 88.1 | Confident | 91.4 | Very high | 85 Ų | 85 | 39.7 Ų | 39.7 | 32% | 0.321 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -146.8 | 145.2 | 173.5 | 69.7 | -177.8 | -175.5 | -159 | -4.7 | 112.3 | F79 G147 V149 L150 F154 | F79-R152 VanDerWaalsContact CE2-NH2 3.3Å; G147-R152 VanDerWaalsContact CA-C 3.43Å; G147-R152 WeakPolarHBondContact CA-O 3.08Å; G147-R152 PolarHBondContact O-N 3.38Å; G147-R152 VanDerWaalsContact O-N 3.1Å; V149-R152 PolarHBondContact O-N 3.11Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.38Å; R152-F154 HydrophobicContact CG-CD2 4.19Å; R152-F154 HydrophobicContact CG-CE2 3.67Å; R152-F154 HydrophobicContact CG-CZ 4.08Å; R152-F154 VanDerWaalsContact O-CD2 3.26Å; R152-F154 WeakPolarHBondContact O-CD2 3.48Å |
| 153 | P | 90.1 | Very high | 91.5 | Very high | 95 Ų | 95 | 36.1 Ų | 36.1 | 62% | 0.617 | 20% | 0.202 | S | C | * | . | trans | -66.6 | 144 | 173.4 | 29.4 | -34.8 | 0 | 0 | 0 | 110.8 | L144 | L144-P153 WeakPolarHBondContact O-CA 3.42Š| ||
| 154 | F | 93.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | trans | -121.7 | 119.5 | 174.5 | -75.3 | -95.6 | 0 | 0 | 0 | 109.1 | I67 F79 F83 L144 V149 L150 R152 T156 | I67-F154 HydrophobicContact CG2-CB 3.89Å; I67-F154 HydrophobicContact CG2-CD1 3.74Å; I67-F154 HydrophobicContact CG2-CG 4.22Å; F79-F154 HydrophobicContact CZ-CE1 4.32Å; F79-F154 HydrophobicContact CZ-CZ 4.29Å; F83-F154 AromaticContact CD2-CE1 3.98Å; F83-F154 HydrophobicContact CD2-CE1 3.98Å; F83-F154 HydrophobicContact CD2-CE2 4.06Å; F83-F154 AromaticContact CD2-CZ 3.6Å; F83-F154 HydrophobicContact CD2-CZ 3.6Å; F83-F154 HydrophobicContact CE2-CD1 4.08Å; F83-F154 HydrophobicContact CE2-CD2 4.09Å; F83-F154 AromaticContact CE2-CE1 3.78Å; F83-F154 HydrophobicContact CE2-CE1 3.78Å; F83-F154 AromaticContact CE2-CE2 3.81Å; F83-F154 HydrophobicContact CE2-CE2 3.81Å; F83-F154 HydrophobicContact CE2-CG 4.21Å; F83-F154 AromaticContact CE2-CZ 3.63Å; F83-F154 HydrophobicContact CE2-CZ 3.63Å; L144-F154 HydrophobicContact CB-CB 4.2Å; L144-F154 HydrophobicContact CD2-CB 4.15Å; L144-F154 HydrophobicContact CD2-CD2 4.33Å; L144-F154 HydrophobicContact CD2-CG 4.38Å; L144-F154 PolarHBondContact O-N 3.17Å; V149-F154 HydrophobicContact CB-CD2 4.47Å; V149-F154 HydrophobicContact CB-CE2 4.32Å; V149-F154 HydrophobicContact CG1-CE2 4.12Å; V149-F154 WeakPolarHBondContact O-CE2 3.38Å; L150-F154 HydrophobicContact CB-CE2 4.49Å; L150-F154 HydrophobicContact CD1-CZ 4.38Å; R152-F154 HydrophobicContact CG-CD2 4.19Å; R152-F154 HydrophobicContact CG-CE2 3.67Å; R152-F154 HydrophobicContact CG-CZ 4.08Å; R152-F154 VanDerWaalsContact O-CD2 3.26Å; R152-F154 WeakPolarHBondContact O-CD2 3.48Å; F154-T156 PolarHBondContact O-N 3.37Å | ||
| 155 | Q | 93.6 | Very high | 91.4 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | trans | -66.6 | 124.9 | 174.6 | -177.3 | 55.3 | 54.2 | 0 | 0 | 110.1 | Y157 S1490 L1564 | Q155-Y157 HydrophobicContact CB-CE2 4.03Å; Q155-Y157 HydrophobicContact CG-CD2 4.23Å; Q155-Y157 HydrophobicContact CG-CE2 3.63Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.49Å; Q155-S1490 PolarHBondContact NE2-O 2.97Å; Q155-L1564 HydrophobicContact CG-CD2 4.39Å | ||
| 156 | T | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 148.1 | 178.2 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | S141 L144 F154 S1490 | S141-T156 PolarHBondContact OG-OG1 2.88Å; L144-T156 HydrophobicContact CB-CG2 3.78Å; L144-T156 HydrophobicContact CD1-CG2 3.71Å; L144-T156 HydrophobicContact CG-CG2 4.4Å; F154-T156 PolarHBondContact O-N 3.37Å; T156-S1490 PolarHBondContact O-N 3.49Å |
| 157 | Y | 95.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.8 | -175 | -70.5 | -104.7 | 0 | 0 | 0 | 109.7 | F66 E68 F126 Q155 S159 I1487 L1488 P1489 | F66-Y157 PolarHBondContact N-O 2.9Å; F66-Y157 WeakPolarHBondContact O-CB 3.25Å; F66-Y157 PolarHBondContact O-N 2.91Å; E68-Y157 HydrophobicContact CB-CE2 4.06Å; E68-Y157 PolarHBondContact OE2-OH 3.43Å; F126-Y157 HydrophobicContact CD1-CD2 4.38Å; F126-Y157 HydrophobicContact CD1-CE2 4.49Å; F126-Y157 HydrophobicContact CE1-CD1 4.2Å; F126-Y157 HydrophobicContact CE1-CD2 4.01Å; F126-Y157 HydrophobicContact CE1-CE1 4.02Å; F126-Y157 AromaticContact CE1-CE2 3.79Å; F126-Y157 HydrophobicContact CE1-CE2 3.79Å; F126-Y157 HydrophobicContact CE1-CG 4.22Å; F126-Y157 AromaticContact CE1-CZ 3.81Å; Q155-Y157 HydrophobicContact CB-CE2 4.03Å; Q155-Y157 HydrophobicContact CG-CD2 4.23Å; Q155-Y157 HydrophobicContact CG-CE2 3.63Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.49Å; Y157-S159 PolarHBondContact O-N 3.47Å; Y157-I1487 HydrophobicContact CD1-CB 4.46Å; Y157-I1487 HydrophobicContact CD1-CG2 4.16Å; Y157-I1487 HydrophobicContact CG-CG2 4.37Å; Y157-L1488 CarbonylContact C-O 3.59Å; Y157-L1488 VanDerWaalsContact CA-O 3.22Å; Y157-L1488 WeakPolarHBondContact CA-O 3.31Å; Y157-L1488 WeakPolarHBondContact CB-O 3.43Å; Y157-P1489 HydrophobicContact CD1-CB 3.87Å; Y157-P1489 HydrophobicContact CE1-CB 3.74Å; Y157-P1489 HydrophobicContact CE1-CG 4.42Å |
| 158 | E | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 53.4 | 10.4 | -173.7 | -58.6 | -169.4 | 166.4 | 0 | 0 | 117.6 | F66 H160 I161 Q166 R1482 I1487 L1488 S1490 | F66-E158 HydrophobicContact CD2-CB 4.25Å; F66-E158 HydrophobicContact CD2-CG 4.15Å; F66-E158 WeakPolarHBondContact CE2-OE2 3.38Å; E158-H160 PolarHBondContact O-N 2.87Å; E158-I161 HydrophobicContact CB-CG1 4.14Å; E158-I161 HydrophobicContact CG-CG1 4.46Å; E158-I161 WeakPolarHBondContact O-CB 3.29Å; E158-I161 PolarHBondContact O-N 2.9Å; E158-Q166 PolarHBondContact O-NE2 3.05Å; E158-R1482 IonicContact OE1-CZ 2.77Å; E158-R1482 IonicContact OE1-NE 3.81Å; E158-R1482 PolarHBondContact OE1-NE 2.98Å; E158-R1482 VanDerWaalsContact OE1-NE 3.11Å; E158-R1482 IonicContact OE1-NH2 3.28Å; E158-R1482 IonicContact OE2-CZ 3.39Å; E158-R1482 IonicContact OE2-NE 2.74Å; E158-R1482 PolarHBondContact OE2-NE 2.95Å; E158-R1482 IonicContact OE2-NH2 3.15Å; E158-R1482 PolarHBondContact OE2-NH2 2.93Å; E158-I1487 HydrophobicContact CG-CG2 4.14Å; E158-L1488 HydrophobicContact CG-CB 4.25Å; E158-L1488 PolarHBondContact N-O 2.65Å; E158-S1490 PolarHBondContact N-OG 3.41Å |
| 159 | S | 93.2 | Very high | 92 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.6 | 176 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | I137 S141 Y157 I161 S1490 | I137-S159 VanDerWaalsContact CG2-O 3.27Å; I137-S159 WeakPolarHBondContact CG2-O 3.41Å; S141-S159 WeakPolarHBondContact OG-CB 3.43Å; S141-S159 PolarHBondContact OG-OG 3.33Å; Y157-S159 PolarHBondContact O-N 3.47Å; S159-I161 VanDerWaalsContact C-N 3.34Å; S159-S1490 PolarHBondContact N-OG 2.84Å; S159-S1490 WeakPolarHBondContact OG-CB 3.3Å; S159-S1490 PolarHBondContact OG-OG 3.21Å |
| 160 | H | 91.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.7 | 171.9 | 73.1 | -87.1 | 0 | 0 | 0 | 114.3 | E158 P162 E1474 P1489 S1490 R1655 | E158-H160 PolarHBondContact O-N 2.87Å; H160-P162 WeakPolarHBondContact O-CD 3.45Å; H160-E1474 IonicContact CD2-OE1 3.36Å; H160-E1474 IonicContact NE2-OE1 3.65Å; H160-P1489 PolarHBondContact CE1-O 3.04Å; H160-P1489 PolarHBondContact ND1-O 3.16Å; H160-S1490 PolarHBondContact N-OG 3.49Å; H160-S1490 PolarHBondContact ND1-OG 3.24Å; H160-R1655 HydrophobicContact CB-CB 4.45Å; H160-R1655 PolarHBondContact O-NH1 2.83Å |
| 161 | I | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -90.7 | 117.2 | -179.9 | -54.6 | -61.3 | 0 | 0 | 0 | 109.2 | E158 S159 L165 Q166 E1474 C1478 | E158-I161 HydrophobicContact CB-CG1 4.14Å; E158-I161 HydrophobicContact CG-CG1 4.46Å; E158-I161 WeakPolarHBondContact O-CB 3.29Å; E158-I161 PolarHBondContact O-N 2.9Å; S159-I161 VanDerWaalsContact C-N 3.34Å; I161-L165 HydrophobicContact CG2-CB 4.36Å; I161-L165 HydrophobicContact CG2-CD2 4.19Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-Q166 HydrophobicContact CB-CG 4.17Å; I161-Q166 HydrophobicContact CG2-CG 3.72Å; I161-E1474 HydrophobicContact CD1-CB 4.01Å; I161-E1474 HydrophobicContact CD1-CG 4.09Å; I161-C1478 VanDerWaalsContact CD1-SG 3.59Å |
| 162 | P | 90.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 20 Ų | 20 | 17% | 0.169 | 10% | 0.104 | C | C | . | . | trans | -63.3 | 141.2 | -177.3 | -27.9 | 38.8 | 0 | 0 | 0 | 114 | H160 L164 L165 Q166 Y1471 | H160-P162 WeakPolarHBondContact O-CD 3.45Å; P162-L164 PolarHBondContact O-N 3.18Å; P162-L164 VanDerWaalsContact O-N 3.17Å; P162-L165 CarbonylContact O-C 3.51Å; P162-L165 WeakPolarHBondContact O-CA 3.37Å; P162-L165 WeakPolarHBondContact O-CB 3.33Å; P162-L165 PolarHBondContact O-N 3.45Å; P162-Q166 PolarHBondContact O-N 3.37Å; P162-Y1471 HydrophobicContact CG-CE2 3.88Å | ||
| 163 | Y | 93.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 16 Ų | 16 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -43.8 | -48.9 | -179.4 | 171.5 | -127.8 | 0 | 0 | 0 | 115.5 | Y15 I42 V61 P63 P134 L165 Q166 F167 | Y15-Y163 HydrophobicContact CD1-CD1 4.13Å; Y15-Y163 HydrophobicContact CD1-CE1 4.29Å; Y15-Y163 HydrophobicContact CD2-CE1 4.44Å; Y15-Y163 HydrophobicContact CE1-CD1 4.47Å; Y15-Y163 HydrophobicContact CG-CD1 4.31Å; Y15-Y163 HydrophobicContact CG-CE1 4.02Å; I42-Y163 HydrophobicContact CD1-CE1 4.13Å; I42-Y163 HydrophobicContact CD1-CE2 4.38Å; I42-Y163 HydrophobicContact CG1-CE1 3.95Å; I42-Y163 WeakPolarHBondContact CG1-OH 3.46Å; V61-Y163 HydrophobicContact CG1-CE2 4.01Å; V61-Y163 PolarHBondContact O-OH 3.39Å; P63-Y163 HydrophobicContact CB-CD2 3.63Å; P63-Y163 HydrophobicContact CB-CE2 4.06Å; P63-Y163 HydrophobicContact CB-CG 4.13Å; P63-Y163 HydrophobicContact CG-CD2 4.49Å; P134-Y163 HydrophobicContact CB-CD1 3.97Å; P134-Y163 HydrophobicContact CB-CG 4.09Å; P134-Y163 HydrophobicContact CG-CD1 3.5Å; P134-Y163 HydrophobicContact CG-CE1 3.82Å; P134-Y163 HydrophobicContact CG-CG 3.93Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.76Å; Y163-Q166 WeakPolarHBondContact O-CB 3.32Å; Y163-Q166 PolarHBondContact O-N 2.85Å; Y163-F167 PolarHBondContact O-N 3.2Å |
| 164 | L | 92.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.042 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.8 | -28.8 | 178.8 | -61.6 | 176.5 | 0 | 0 | 0 | 112.7 | L13 Y15 I42 P162 C168 | L13-L164 HydrophobicContact CB-CD1 4.1Å; L13-L164 HydrophobicContact CB-CD2 4.32Å; L13-L164 HydrophobicContact CD1-CB 4.5Å; Y15-L164 HydrophobicContact CD1-CD2 4.45Å; I42-L164 HydrophobicContact CD1-CD2 4.23Å; I42-L164 HydrophobicContact CG1-CD2 4.19Å; I42-L164 HydrophobicContact CG2-CD2 4.09Å; P162-L164 PolarHBondContact O-N 3.18Å; P162-L164 VanDerWaalsContact O-N 3.17Å; L164-C168 PolarHBondContact O-N 3.05Å; L164-C168 VanDerWaalsContact O-N 3.11Å; L164-C168 PolarHBondContact O-SG 3.04Å; L164-C168 VanDerWaalsContact O-SG 3.39Å |
| 165 | L | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -75.6 | -40.6 | 171.1 | -176.7 | 59.5 | 0 | 0 | 0 | 111.4 | I161 P162 Y163 F167 C168 V169 I1459 Y1471 | I161-L165 HydrophobicContact CG2-CB 4.36Å; I161-L165 HydrophobicContact CG2-CD2 4.19Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; P162-L165 CarbonylContact O-C 3.51Å; P162-L165 WeakPolarHBondContact O-CA 3.37Å; P162-L165 WeakPolarHBondContact O-CB 3.33Å; P162-L165 PolarHBondContact O-N 3.45Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.76Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.77Å; L165-C168 PolarHBondContact O-N 2.82Å; L165-C168 VanDerWaalsContact O-N 3.15Å; L165-V169 HydrophobicContact CD1-CG2 4.19Å; L165-V169 HydrophobicContact CG-CG2 4.36Å; L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.13Å; L165-V169 PolarHBondContact O-N 3.26Å; L165-I1459 HydrophobicContact CD1-CG2 4.42Å; L165-Y1471 HydrophobicContact CB-CE2 4.27Å; L165-Y1471 HydrophobicContact CD2-CD2 4.08Å; L165-Y1471 HydrophobicContact CD2-CE2 3.56Å; L165-Y1471 HydrophobicContact CG-CE2 4.48Å |
| 166 | Q | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.9 | -45.6 | 172.7 | -66.2 | -176.3 | -24.4 | 0 | 0 | 110.8 | Y64 E158 I161 P162 Y163 V169 D170 | Y64-Q166 HydrophobicContact CE1-CB 4.41Å; Y64-Q166 PolarHBondContact O-NE2 3.01Å; E158-Q166 PolarHBondContact O-NE2 3.05Å; I161-Q166 HydrophobicContact CB-CG 4.17Å; I161-Q166 HydrophobicContact CG2-CG 3.72Å; P162-Q166 PolarHBondContact O-N 3.37Å; Y163-Q166 WeakPolarHBondContact O-CB 3.32Å; Y163-Q166 PolarHBondContact O-N 2.85Å; Q166-V169 PolarHBondContact O-N 3.09Å; Q166-D170 WeakPolarHBondContact O-CB 3.45Å; Q166-D170 PolarHBondContact O-N 3.07Å |
| 167 | F | 93.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.009 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 173.5 | 168.6 | -112.5 | 0 | 0 | 0 | 112.6 | L13 I42 V58 V61 Y163 L165 V169 D170 Y171 L173 I237 | L13-F167 HydrophobicContact CD1-CD1 4.46Å; I42-F167 HydrophobicContact CD1-CB 3.78Å; I42-F167 HydrophobicContact CD1-CD1 3.74Å; I42-F167 HydrophobicContact CD1-CD2 3.77Å; I42-F167 HydrophobicContact CD1-CE1 4.25Å; I42-F167 HydrophobicContact CD1-CE2 4.3Å; I42-F167 HydrophobicContact CD1-CG 3.47Å; I42-F167 VanDerWaalsContact CD1-CG 3.47Å; I42-F167 HydrophobicContact CG2-CD1 4.33Å; I42-F167 HydrophobicContact CG2-CE1 4.13Å; V58-F167 HydrophobicContact CG1-CE2 3.98Å; V58-F167 HydrophobicContact CG1-CZ 4.15Å; V58-F167 HydrophobicContact CG2-CZ 4.36Å; V61-F167 HydrophobicContact CG1-CB 4.38Å; V61-F167 HydrophobicContact CG1-CD2 3.96Å; V61-F167 HydrophobicContact CG2-CD2 3.93Å; V61-F167 HydrophobicContact CG2-CE2 4.03Å; Y163-F167 PolarHBondContact O-N 3.2Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.77Å; F167-V169 VanDerWaalsContact C-N 3.26Å; F167-V169 PolarHBondContact O-N 2.94Å; F167-D170 PolarHBondContact O-N 3.06Å; F167-Y171 AromaticContact CD2-CD2 3.45Å; F167-Y171 HydrophobicContact CD2-CD2 3.45Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.45Å; F167-Y171 AromaticContact CD2-CE2 3.89Å; F167-Y171 HydrophobicContact CD2-CE2 3.89Å; F167-Y171 HydrophobicContact CD2-CG 4.34Å; F167-Y171 AromaticContact CE2-CD2 3.64Å; F167-Y171 HydrophobicContact CE2-CD2 3.64Å; F167-Y171 HydrophobicContact CE2-CE2 4.18Å; F167-Y171 HydrophobicContact CE2-CG 4.14Å; F167-Y171 HydrophobicContact CG-CD2 4.47Å; F167-Y171 WeakPolarHBondContact O-CD2 3.19Å; F167-Y171 PolarHBondContact O-N 2.75Å; F167-Y171 VanDerWaalsContact O-N 3.11Å; F167-L173 HydrophobicContact CD1-CD1 4.32Å; F167-L173 HydrophobicContact CE1-CD1 3.56Å; F167-L173 HydrophobicContact CE2-CD1 4.24Å; F167-L173 HydrophobicContact CZ-CD1 3.51Å; F167-I237 HydrophobicContact CE2-CD1 4Å; F167-I237 HydrophobicContact CZ-CD1 4.11Å |
| 168 | C | 92.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 5% | 0.047 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -34.5 | 178.2 | -76.6 | 0 | 0 | 0 | 0 | 113.5 | L13 L164 L165 N172 L173 | L13-C168 WeakPolarHBondContact CD1-SG 3.45Å; L164-C168 PolarHBondContact O-N 3.05Å; L164-C168 VanDerWaalsContact O-N 3.11Å; L164-C168 PolarHBondContact O-SG 3.04Å; L164-C168 VanDerWaalsContact O-SG 3.39Å; L165-C168 PolarHBondContact O-N 2.82Å; L165-C168 VanDerWaalsContact O-N 3.15Å; C168-N172 PolarHBondContact O-N 3.06Å; C168-L173 HydrophobicContact CB-CB 4.43Å; C168-L173 PolarHBondContact O-N 2.93Å |
| 169 | V | 90.5 | Very high | 91 | Very high | 8 Ų | 8 | 12.9 Ų | 12.9 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -72.1 | -49.2 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L165 Q166 F167 Y171 N172 C1478 R1479 | L165-V169 HydrophobicContact CD1-CG2 4.19Å; L165-V169 HydrophobicContact CG-CG2 4.36Å; L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.13Å; L165-V169 PolarHBondContact O-N 3.26Å; Q166-V169 PolarHBondContact O-N 3.09Å; F167-V169 VanDerWaalsContact C-N 3.26Å; F167-V169 PolarHBondContact O-N 2.94Å; V169-Y171 VanDerWaalsContact C-N 3.29Å; V169-Y171 PolarHBondContact O-N 2.91Å; V169-N172 PolarHBondContact O-N 2.83Å; V169-C1478 HydrophobicContact CG1-CB 4.02Å; V169-C1478 HydrophobicContact CG2-CB 3.96Å; V169-R1479 HydrophobicContact CB-CG 4.41Å; V169-R1479 HydrophobicContact CG1-CG 3.96Å; V169-R1479 HydrophobicContact CG2-CG 4.08Å |
| 170 | D | 90.8 | Very high | 91 | Very high | 39 Ų | 39 | 14.1 Ų | 14.1 | 21% | 0.209 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.3 | -29.8 | -175.7 | -80.8 | -27.2 | 0 | 0 | 0 | 114.3 | Y64 Q166 F167 R240 R1482 | Y64-D170 VanDerWaalsContact CE1-OD2 3.24Å; Y64-D170 WeakPolarHBondContact CE1-OD2 3.33Å; Y64-D170 VanDerWaalsContact CZ-OD2 3.3Å; Y64-D170 VanDerWaalsContact OH-CG 3.27Å; Y64-D170 PolarHBondContact OH-OD1 3.08Å; Y64-D170 PolarHBondContact OH-OD2 3.1Å; Q166-D170 WeakPolarHBondContact O-CB 3.45Å; Q166-D170 PolarHBondContact O-N 3.07Å; F167-D170 PolarHBondContact O-N 3.06Å; D170-R240 WeakPolarHBondContact O-CD 3.4Å; D170-R1482 VanDerWaalsContact CG-NH1 3.27Å; D170-R1482 IonicContact OD1-CZ 2.73Å; D170-R1482 IonicContact OD1-NH1 3.14Å; D170-R1482 PolarHBondContact OD1-NH1 3.32Å; D170-R1482 IonicContact OD2-NH1 3.69Å |
| 171 | Y | 91.8 | Very high | 91 | Very high | 22 Ų | 22 | 12.8 Ų | 12.8 | 9% | 0.086 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 10.5 | -178.7 | -65.9 | -83.6 | 0 | 0 | 0 | 113.6 | V61 F167 V169 L173 A234 I237 N239 R240 | V61-Y171 HydrophobicContact CG2-CE2 4.31Å; F167-Y171 AromaticContact CD2-CD2 3.45Å; F167-Y171 HydrophobicContact CD2-CD2 3.45Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.45Å; F167-Y171 AromaticContact CD2-CE2 3.89Å; F167-Y171 HydrophobicContact CD2-CE2 3.89Å; F167-Y171 HydrophobicContact CD2-CG 4.34Å; F167-Y171 AromaticContact CE2-CD2 3.64Å; F167-Y171 HydrophobicContact CE2-CD2 3.64Å; F167-Y171 HydrophobicContact CE2-CE2 4.18Å; F167-Y171 HydrophobicContact CE2-CG 4.14Å; F167-Y171 HydrophobicContact CG-CD2 4.47Å; F167-Y171 WeakPolarHBondContact O-CD2 3.19Å; F167-Y171 PolarHBondContact O-N 2.75Å; F167-Y171 VanDerWaalsContact O-N 3.11Å; V169-Y171 VanDerWaalsContact C-N 3.29Å; V169-Y171 PolarHBondContact O-N 2.91Å; Y171-L173 VanDerWaalsContact C-N 3.31Å; Y171-L173 PolarHBondContact O-N 3.46Å; Y171-A234 HydrophobicContact CE1-CB 3.88Å; Y171-A234 WeakPolarHBondContact CE1-O 2.95Å; Y171-A234 HydrophobicContact CE2-CB 4.37Å; Y171-A234 WeakPolarHBondContact OH-CB 3.36Å; Y171-I237 HydrophobicContact CD1-CB 4.11Å; Y171-I237 HydrophobicContact CD1-CD1 4.13Å; Y171-I237 HydrophobicContact CD1-CG2 4.35Å; Y171-I237 HydrophobicContact CG-CD1 4.29Å; Y171-N239 WeakPolarHBondContact O-CB 3.44Å; Y171-R240 HydrophobicContact CD1-CB 4.26Å; Y171-R240 HydrophobicContact CD1-CG 4.5Å |
| 172 | N | 88.9 | Confident | 91 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 5% | 0.053 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 42.5 | 177.6 | -163.9 | 33.2 | 0 | 0 | 0 | 113.5 | C168 V169 F174 N239 L243 P251 | C168-N172 PolarHBondContact O-N 3.06Å; V169-N172 PolarHBondContact O-N 2.83Å; N172-F174 WeakPolarHBondContact OD1-CE2 3.36Å; N172-N239 HydrophobicContact CB-CB 4.42Å; N172-N239 WeakPolarHBondContact CB-O 3.49Å; N172-N239 PolarHBondContact ND2-O 3.34Å; N172-L243 HydrophobicContact CB-CD1 4.01Å; N172-L243 HydrophobicContact CB-CD2 3.92Å; N172-L243 HydrophobicContact CB-CG 3.81Å; N172-P251 WeakPolarHBondContact OD1-CG 3.39Å |
| 173 | L | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | trans | -99.3 | 147.6 | -178.6 | -55.1 | 177 | 0 | 0 | 0 | 110.6 | I10 F167 C168 Y171 L179 I237 N239 R1479 | I10-L173 HydrophobicContact CD1-CB 3.8Å; I10-L173 HydrophobicContact CD1-CD1 4.17Å; I10-L173 HydrophobicContact CD1-CD2 4.26Å; I10-L173 HydrophobicContact CD1-CG 4.29Å; F167-L173 HydrophobicContact CD1-CD1 4.32Å; F167-L173 HydrophobicContact CE1-CD1 3.56Å; F167-L173 HydrophobicContact CE2-CD1 4.24Å; F167-L173 HydrophobicContact CZ-CD1 3.51Å; C168-L173 HydrophobicContact CB-CB 4.43Å; C168-L173 PolarHBondContact O-N 2.93Å; Y171-L173 VanDerWaalsContact C-N 3.31Å; Y171-L173 PolarHBondContact O-N 3.46Å; L173-L179 HydrophobicContact CD1-CD1 3.94Å; L173-L179 HydrophobicContact CD2-CB 4.13Å; L173-L179 HydrophobicContact CD2-CD1 4.12Å; L173-L179 HydrophobicContact CD2-CG 4.06Å; L173-I237 HydrophobicContact CD2-CG2 4.14Å; L173-N239 HydrophobicContact CD2-CB 3.9Å; L173-R1479 PolarHBondContact O-NH2 2.85Å | ||
| 174 | F | 89.3 | Confident | 90.8 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 4% | 0.039 | 8% | 0.083 | C | C | . | . | trans | -135 | 142 | -178.7 | -69.4 | -108.2 | 0 | 0 | 0 | 108.8 | N172 N177 P251 R1455 | N172-F174 WeakPolarHBondContact OD1-CE2 3.36Å; F174-N177 HydrophobicContact CB-CB 3.83Å; F174-N177 WeakPolarHBondContact O-CB 3.37Å; F174-N177 PolarHBondContact O-N 2.96Å; F174-P251 HydrophobicContact CE2-CB 4.43Å; F174-R1455 WeakPolarHBondContact CD1-O 3.41Å | ||
| 175 | G | 88.4 | Confident | 90.7 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 145.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | N177 A1454 R1455 I1459 | G175-N177 PolarHBondContact O-N 2.83Å; G175-A1454 CarbonylContact O-C 3.56Å; G175-R1455 WeakPolarHBondContact O-CG 3.45Å; G175-R1455 PolarHBondContact O-N 3.1Å; G175-I1459 VanDerWaalsContact CA-O 3.3Å; G175-I1459 WeakPolarHBondContact CA-O 3.33Å; G175-I1459 PolarHBondContact N-O 2.89Å |
| 176 | M | 87.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 16.5 | -172.3 | -57.2 | -57.8 | -89.2 | 0 | 0 | 114.7 | K9 I10 F11 S1451 A1454 R1455 F1461 | K9-M176 WeakPolarHBondContact CE-O 3.47Å; I10-M176 VanDerWaalsContact O-CA 3.25Å; I10-M176 WeakPolarHBondContact O-CA 3.38Å; I10-M176 PolarHBondContact O-N 3.35Å; F11-M176 HydrophobicContact CB-SD 4.48Å; F11-M176 HydrophobicContact CD2-CE 4.19Å; F11-M176 HydrophobicContact CD2-SD 3.75Å; M176-S1451 VanDerWaalsContact CE-OG 3.29Å; M176-S1451 WeakPolarHBondContact CE-OG 3.36Å; M176-A1454 HydrophobicContact CB-CB 4.4Å; M176-A1454 HydrophobicContact CG-CB 4.09Å; M176-R1455 HydrophobicContact CB-CG 4.28Å; M176-R1455 VanDerWaalsContact O-CZ 3.29Å; M176-R1455 PolarHBondContact O-NE 2.77Å; M176-R1455 PolarHBondContact O-NH2 2.81Å; M176-F1461 HydrophobicContact CE-CD2 4.23Å; M176-F1461 HydrophobicContact CG-CB 4.24Å; M176-F1461 HydrophobicContact CG-CD2 4.08Å; M176-F1461 HydrophobicContact SD-CB 4.24Å; M176-F1461 HydrophobicContact SD-CD2 4.2Å |
| 177 | N | 86.6 | Confident | 90.2 | Very high | 47 Ų | 47 | 17.2 Ų | 17.2 | 25% | 0.251 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -113.8 | 170.9 | 174.5 | -154.5 | -9.4 | 0 | 0 | 0 | 111.3 | K9 I10 F174 G175 | K9-N177 WeakPolarHBondContact CA-O 3.43Å; I10-N177 PolarHBondContact N-O 3.32Å; F174-N177 HydrophobicContact CB-CB 3.83Å; F174-N177 WeakPolarHBondContact O-CB 3.37Å; F174-N177 PolarHBondContact O-N 2.96Å; G175-N177 PolarHBondContact O-N 2.83Å |
| 178 | L | 88.6 | Confident | 89.2 | Confident | 25 Ų | 25 | 18.9 Ų | 18.9 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.8 | -173 | -65.3 | 172.6 | 0 | 0 | 0 | 112.6 | I8 K9 Y180 N239 | I8-L178 CarbonylContact O-C 3.6Å; I8-L178 WeakPolarHBondContact O-CA 3.26Å; K9-L178 HydrophobicContact CB-CD2 4.03Å; L178-Y180 HydrophobicContact CB-CD2 4.47Å; L178-Y180 HydrophobicContact CB-CE1 4.29Å; L178-Y180 HydrophobicContact CB-CE2 3.82Å; L178-Y180 HydrophobicContact CD1-CE1 4.31Å; L178-Y180 WeakPolarHBondContact CD1-OH 3.36Å; L178-N239 PolarHBondContact O-ND2 2.93Å |
| 179 | L | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.3 | 155.9 | -177.3 | 153.8 | 0 | 0 | 0 | 108.5 | S7 I8 I10 V44 L173 A181 I232 I237 | S7-L179 CarbonylContact C-O 3.5Å; S7-L179 WeakPolarHBondContact CA-O 3.19Å; I8-L179 PolarHBondContact N-O 2.9Å; I8-L179 PolarHBondContact O-N 3.29Å; I10-L179 HydrophobicContact CD1-CB 4.18Å; I10-L179 HydrophobicContact CG1-CB 4.15Å; V44-L179 HydrophobicContact CG2-CD1 4.46Å; L173-L179 HydrophobicContact CD1-CD1 3.94Å; L173-L179 HydrophobicContact CD2-CB 4.13Å; L173-L179 HydrophobicContact CD2-CD1 4.12Å; L173-L179 HydrophobicContact CD2-CG 4.06Å; L179-A181 HydrophobicContact CD2-CB 4.16Å; L179-I232 HydrophobicContact CD2-CD1 4.46Å; L179-I237 HydrophobicContact CD1-CD1 4.38Å; L179-I237 HydrophobicContact CG-CG2 4.37Å |
| 180 | Y | 92.6 | Very high | 85.6 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 17% | 0.169 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.9 | 174.3 | -60.7 | -83.5 | 0 | 0 | 0 | 109.8 | L6 L178 L238 N239 | L6-Y180 WeakPolarHBondContact O-CA 3.41Å; L178-Y180 HydrophobicContact CB-CD2 4.47Å; L178-Y180 HydrophobicContact CB-CE1 4.29Å; L178-Y180 HydrophobicContact CB-CE2 3.82Å; L178-Y180 HydrophobicContact CD1-CE1 4.31Å; L178-Y180 WeakPolarHBondContact CD1-OH 3.36Å; Y180-L238 PolarHBondContact O-N 2.98Å; Y180-N239 PolarHBondContact N-OD1 2.85Å |
| 181 | A | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L6 L179 I232 D236 | L6-A181 PolarHBondContact N-O 3.1Å; L6-A181 PolarHBondContact O-N 2.95Å; L179-A181 HydrophobicContact CD2-CB 4.16Å; A181-I232 HydrophobicContact CB-CD1 3.87Å; A181-I232 HydrophobicContact CB-CG2 3.98Å; A181-D236 WeakPolarHBondContact CA-O 3.43Å |
| 182 | G | 90.5 | Very high | 80.7 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -81.7 | -16.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D236 | G182-D236 PolarHBondContact N-O 2.95Š|
| 183 | Y | 89.9 | Confident | 78.4 | Confident | 58 Ų | 58 | 34 Ų | 34 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -154.5 | 151.1 | 171.6 | -178.6 | -112.8 | 0 | 0 | 0 | 109 | R185 E213 Y214 | Y183-R185 PolarHBondContact OH-NE 3.13Å; Y183-R185 PolarHBondContact OH-NH2 3Å; Y183-E213 PolarHBondContact OH-O 2.77Å; Y183-Y214 HydrophobicContact CD2-CD1 4.43Å; Y183-Y214 AromaticContact CD2-CE1 3.91Å; Y183-Y214 HydrophobicContact CD2-CE1 3.91Å; Y183-Y214 HydrophobicContact CE2-CD1 4.2Å; Y183-Y214 AromaticContact CE2-CE1 3.98Å; Y183-Y214 HydrophobicContact CE2-CE1 3.98Å |
| 184 | F | 91.4 | Very high | 76 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | trans | -166.6 | 163.3 | -173.7 | 53.3 | -86.7 | 0 | 0 | 0 | 109 | G4 L6 F186 W205 Y214 V230 D231 I232 | G4-F184 WeakPolarHBondContact O-CE1 3.2Å; L6-F184 HydrophobicContact CB-CD1 3.57Å; L6-F184 HydrophobicContact CB-CE1 3.45Å; L6-F184 VanDerWaalsContact CB-CE1 3.45Å; L6-F184 HydrophobicContact CB-CG 4.23Å; L6-F184 HydrophobicContact CB-CZ 3.99Å; L6-F184 HydrophobicContact CD2-CB 4.4Å; L6-F184 HydrophobicContact CD2-CD1 4.13Å; L6-F184 HydrophobicContact CD2-CD2 4.1Å; L6-F184 HydrophobicContact CD2-CE2 4.48Å; L6-F184 HydrophobicContact CD2-CG 3.93Å; F184-F186 HydrophobicContact CD2-CE2 4.36Å; F184-F186 HydrophobicContact CD2-CZ 4.35Å; F184-F186 HydrophobicContact CE2-CD2 4.49Å; F184-F186 AromaticContact CE2-CE2 3.74Å; F184-F186 HydrophobicContact CE2-CE2 3.74Å; F184-F186 AromaticContact CE2-CZ 3.76Å; F184-F186 HydrophobicContact CE2-CZ 3.76Å; F184-W205 HydrophobicContact CE2-CZ3 4.27Å; F184-W205 HydrophobicContact CZ-CH2 4.14Å; F184-W205 AromaticContact CZ-CZ3 3.76Å; F184-W205 HydrophobicContact CZ-CZ3 3.76Å; F184-Y214 HydrophobicContact CE2-CD1 4.25Å; F184-Y214 HydrophobicContact CZ-CD1 4.39Å; F184-Y214 HydrophobicContact CZ-CE1 4.48Å; F184-Y214 WeakPolarHBondContact O-CD1 3.43Å; F184-V230 HydrophobicContact CD2-CG1 4.29Å; F184-D231 CarbonylContact C-O 3.52Å; F184-D231 VanDerWaalsContact CA-O 3.31Å; F184-D231 WeakPolarHBondContact CA-O 3.24Å; F184-I232 HydrophobicContact CB-CG1 4.01Å | ||
| 185 | R | 89.8 | Confident | 73.7 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.3 | 171 | -64.7 | -175.4 | -174.2 | 113.7 | 9 | 111 | L23 Y183 Y214 S216 V230 D231 | L23-R185 PolarHBondContact O-NH1 2.96Å; Y183-R185 PolarHBondContact OH-NE 3.13Å; Y183-R185 PolarHBondContact OH-NH2 3Å; R185-Y214 CarbonylContact C-O 3.55Å; R185-Y214 VanDerWaalsContact CA-O 3.29Å; R185-Y214 WeakPolarHBondContact CA-O 3.49Å; R185-S216 VanDerWaalsContact CB-OG 3.31Å; R185-S216 WeakPolarHBondContact CB-OG 3.45Å; R185-V230 CarbonylContact O-C 3.52Å; R185-V230 WeakPolarHBondContact O-CA 3.3Å; R185-V230 VanDerWaalsContact O-CB 3.31Å; R185-V230 WeakPolarHBondContact O-CB 3.39Å; R185-D231 PolarHBondContact N-O 3.21Å; R185-D231 PolarHBondContact O-N 3.32Å |
| 186 | F | 88.8 | Confident | 71.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.7 | 174 | -65.4 | -74.1 | 0 | 0 | 0 | 111.1 | F184 T188 W205 P207 F210 Y214 L215 S216 L228 E229 V230 | F184-F186 HydrophobicContact CD2-CE2 4.36Å; F184-F186 HydrophobicContact CD2-CZ 4.35Å; F184-F186 HydrophobicContact CE2-CD2 4.49Å; F184-F186 AromaticContact CE2-CE2 3.74Å; F184-F186 HydrophobicContact CE2-CE2 3.74Å; F184-F186 AromaticContact CE2-CZ 3.76Å; F184-F186 HydrophobicContact CE2-CZ 3.76Å; F186-T188 PolarHBondContact O-N 3.25Å; F186-W205 HydrophobicContact CZ-CE3 4.02Å; F186-P207 HydrophobicContact CB-CB 3.92Å; F186-P207 HydrophobicContact CB-CG 4.07Å; F186-P207 HydrophobicContact CD1-CB 4.37Å; F186-P207 HydrophobicContact CD1-CG 3.79Å; F186-P207 HydrophobicContact CD2-CB 3.87Å; F186-P207 HydrophobicContact CD2-CG 4.15Å; F186-P207 HydrophobicContact CE1-CG 4.25Å; F186-P207 HydrophobicContact CE2-CB 4.48Å; F186-P207 HydrophobicContact CG-CB 3.8Å; F186-P207 HydrophobicContact CG-CG 3.75Å; F186-F210 AromaticContact CE2-CD2 3.77Å; F186-F210 HydrophobicContact CE2-CD2 3.77Å; F186-F210 HydrophobicContact CE2-CE2 4.02Å; F186-F210 HydrophobicContact CE2-CG 4.22Å; F186-F210 HydrophobicContact CZ-CE2 4.39Å; F186-Y214 PolarHBondContact N-O 3.15Å; F186-L215 HydrophobicContact CB-CD2 4.24Å; F186-S216 PolarHBondContact O-N 2.74Å; F186-L228 HydrophobicContact CD1-CD2 4.5Å; F186-L228 HydrophobicContact CE1-CD2 4.13Å; F186-E229 WeakPolarHBondContact CA-O 3.22Å; F186-V230 HydrophobicContact CD1-CG1 3.42Å; F186-V230 VanDerWaalsContact CD1-CG1 3.42Å; F186-V230 HydrophobicContact CE1-CG1 3.68Å; F186-V230 HydrophobicContact CG-CG1 4.19Å |
| 187 | R | 86.8 | Confident | 69.4 | Low | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 120.9 | 165.7 | -67 | -169.7 | -172.5 | 166.6 | -7.7 | 109.5 | Y16 N57 K222 E229 D231 | Y16-R187 PolarHBondContact OH-NH1 3.39Å; Y16-R187 PolarHBondContact OH-NH2 3.43Å; Y16-R187 VanDerWaalsContact OH-NH2 3.13Å; N57-R187 VanDerWaalsContact CG-NH1 3.34Å; N57-R187 PolarHBondContact ND2-NH1 3Å; N57-R187 PolarHBondContact OD1-NH1 3.39Å; N57-R187 PolarHBondContact OD1-NH2 3.31Å; R187-K222 HydrophobicContact CB-CG 4.06Å; R187-E229 HydrophobicContact CB-CB 4.43Å; R187-E229 HydrophobicContact CB-CG 4.48Å; R187-E229 WeakPolarHBondContact CD-OE1 3.23Å; R187-E229 IonicContact CZ-OE1 3.45Å; R187-E229 PolarHBondContact N-O 3.25Å; R187-E229 IonicContact NE-OE1 3.61Å; R187-E229 IonicContact NH1-OE1 3.11Å; R187-E229 PolarHBondContact NH1-OE1 2.99Å; R187-D231 WeakPolarHBondContact CG-OD2 3.47Å; R187-D231 IonicContact CZ-OD1 3.68Å; R187-D231 VanDerWaalsContact NE-CG 3.32Å; R187-D231 IonicContact NE-OD1 3.83Å; R187-D231 PolarHBondContact NE-OD1 2.83Å; R187-D231 IonicContact NE-OD2 3.41Å; R187-D231 PolarHBondContact NE-OD2 3Å; R187-D231 VanDerWaalsContact NE-OD2 3.1Å; R187-D231 IonicContact NH2-OD1 2.76Å; R187-D231 PolarHBondContact NH2-OD1 3.3Å |
| 188 | T | 73.1 | Confident | 67.4 | Low | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 165.3 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 111 | F186 L215 D218 K222 | F186-T188 PolarHBondContact O-N 3.25Å; T188-L215 HydrophobicContact CG2-CD2 4.32Å; T188-D218 PolarHBondContact OG1-OD1 3.24Å; T188-K222 PolarHBondContact O-N 3.49Å |
| 189 | S | 61.6 | Low | 65.4 | Low | 53 Ų | 53 | 50.1 Ų | 50.1 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | trans | -126.1 | 127.4 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | S191 | S189-S191 WeakPolarHBondContact CB-O 3.42Å; S189-S191 PolarHBondContact O-N 2.93Å; S189-S191 PolarHBondContact OG-N 3.06Å; S189-S191 PolarHBondContact OG-O 3.3Å; S189-S191 PolarHBondContact OG-OG 3.01Å | ||
| 190 | N | 45.9 | Very low | 62.9 | Low | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -75.6 | -1.4 | 172.1 | -74.3 | -29.5 | 0 | 0 | 0 | 113 | ||
| 191 | S | 41 | Very low | 60.7 | Low | 43 Ų | 43 | 57.5 Ų | 57.5 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -127 | 146.6 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | S189 G193 I1265 | S189-S191 WeakPolarHBondContact CB-O 3.42Å; S189-S191 PolarHBondContact O-N 2.93Å; S189-S191 PolarHBondContact OG-N 3.06Å; S189-S191 PolarHBondContact OG-O 3.3Å; S189-S191 PolarHBondContact OG-OG 3.01Å; S191-G193 PolarHBondContact O-N 3.12Å; S191-G193 VanDerWaalsContact O-N 3.08Å; S191-I1265 VanDerWaalsContact CB-CG2 3.44Å; S191-I1265 WeakPolarHBondContact OG-CG2 3.46Å |
| 192 | V | 37.8 | Very low | 58.8 | Low | 107 Ų | 107 | 66 Ų | 66 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | trans | -63.2 | 111.9 | 174.2 | 178 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | G | 40 | Very low | 57.4 | Low | 54 Ų | 54 | 71 Ų | 71 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | trans | -66.1 | 141 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S191 P195 | S191-G193 PolarHBondContact O-N 3.12Å; S191-G193 VanDerWaalsContact O-N 3.08Å; G193-P195 WeakPolarHBondContact O-CD 3.27Å | ||
| 194 | F | 40.6 | Very low | 56.6 | Low | 84 Ų | 84 | 70.2 Ų | 70.2 | 37% | 0.368 | 41% | 0.407 | S | S | . | . | trans | -48.6 | 125.5 | 172.3 | -84.1 | -100.1 | 0 | 0 | 0 | 110 | S196 Y1218 I1274 I1278 | F194-S196 PolarHBondContact O-N 3.02Å; F194-Y1218 HydrophobicContact CE1-CD2 4.23Å; F194-Y1218 AromaticContact CE1-CE2 3.59Å; F194-Y1218 HydrophobicContact CE1-CE2 3.59Å; F194-Y1218 HydrophobicContact CZ-CD2 4.26Å; F194-Y1218 AromaticContact CZ-CE2 3.99Å; F194-Y1218 HydrophobicContact CZ-CE2 3.99Å; F194-I1274 HydrophobicContact CD1-CG2 4.25Å; F194-I1274 HydrophobicContact CE1-CG2 3.38Å; F194-I1274 HydrophobicContact CE2-CD1 4.39Å; F194-I1274 HydrophobicContact CE2-CG2 4.4Å; F194-I1274 HydrophobicContact CZ-CB 4.38Å; F194-I1274 HydrophobicContact CZ-CD1 3.82Å; F194-I1274 HydrophobicContact CZ-CG1 4.03Å; F194-I1274 HydrophobicContact CZ-CG2 3.48Å; F194-I1274 VanDerWaalsContact CZ-CG2 3.48Å; F194-I1278 HydrophobicContact CD1-CD1 4.02Å; F194-I1278 HydrophobicContact CD1-CG1 4.49Å; F194-I1278 HydrophobicContact CE1-CD1 4.25Å | ||
| 195 | P | 41.3 | Very low | 55.8 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | trans | -59.7 | 115.8 | 172.5 | -22.6 | 33.4 | 0 | 0 | 0 | 108.9 | G193 L197 | G193-P195 WeakPolarHBondContact O-CD 3.27Å; P195-L197 PolarHBondContact O-N 2.66Å | ||
| 196 | S | 44.4 | Very low | 55.3 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | trans | -53.6 | 120.2 | 172 | -177 | 0 | 0 | 0 | 0 | 107.6 | F194 V198 | F194-S196 PolarHBondContact O-N 3.02Å; S196-V198 PolarHBondContact O-N 3.48Å | ||
| 197 | L | 41.9 | Very low | 54.7 | Low | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -73.4 | 19.5 | -165.7 | -133 | 152.7 | 0 | 0 | 0 | 112.6 | P195 T1222 I1281 Q1282 | P195-L197 PolarHBondContact O-N 2.66Å; L197-T1222 HydrophobicContact CD1-CG2 3.91Å; L197-I1281 HydrophobicContact CD1-CB 4.18Å; L197-I1281 HydrophobicContact CD1-CG2 3.55Å; L197-I1281 HydrophobicContact CD2-CG2 4.4Å; L197-Q1282 HydrophobicContact CD1-CG 4.46Å; L197-Q1282 HydrophobicContact CD2-CG 3.67Å; L197-Q1282 HydrophobicContact CG-CG 4.05Å |
| 198 | V | 43.4 | Very low | 53.9 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 27% | 0.267 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -156.8 | 68 | -148.6 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | S196 | S196-V198 PolarHBondContact O-N 3.48Š|
| 199 | R | 47.3 | Very low | 54 | Low | 96 Ų | 96 | 87.6 Ų | 87.6 | 36% | 0.362 | 49% | 0.489 | S | S | . | . | trans | 153.5 | 127.3 | 143.3 | -83.5 | 149.7 | -177.6 | 157.9 | -7.4 | 112.8 | T50 G51 | T50-R199 VanDerWaalsContact O-CZ 3.29Å; T50-R199 PolarHBondContact O-NH1 2.8Å; G51-R199 PolarHBondContact O-NH1 3.11Å | ||
| 200 | S | 40.3 | Very low | 54.6 | Low | 128 Ų | 128 | 88.2 Ų | 88.2 | 90% | 0.895 | 49% | 0.485 | S | S | * | . | trans | -109.9 | 90.5 | 159.5 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 201 | S | 47 | Very low | 55.9 | Low | 69 Ų | 69 | 82.8 Ų | 82.8 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | trans | -145.4 | 147.4 | 171.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | N203 V204 | S201-N203 VanDerWaalsContact C-N 3.27Å; S201-N203 PolarHBondContact O-N 3.5Å; S201-V204 WeakPolarHBondContact O-CG2 3.3Å | ||
| 202 | E | 51.4 | Low | 57.6 | Low | 179 Ų | 179 | 85.6 Ų | 85.6 | 84% | 0.836 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.9 | -167.6 | -58.7 | -173.1 | 123.4 | 0 | 0 | 113.7 | V204 | E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 3.46Å |
| 203 | N | 61 | Low | 59.5 | Low | 140 Ų | 140 | 85.4 Ų | 85.4 | 75% | 0.749 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 7.6 | -176.7 | -65.8 | -26.4 | 0 | 0 | 0 | 114.4 | T50 S201 | T50-N203 WeakPolarHBondContact CG2-O 3.42Å; S201-N203 VanDerWaalsContact C-N 3.27Å; S201-N203 PolarHBondContact O-N 3.5Å |
| 204 | V | 73.7 | Confident | 61.5 | Low | 41 Ų | 41 | 85.4 Ų | 85.4 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | trans | -71.5 | 131.8 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | Q52 S201 E202 N206 | Q52-V204 HydrophobicContact CG-CG1 4.5Å; S201-V204 WeakPolarHBondContact O-CG2 3.3Å; E202-V204 VanDerWaalsContact C-N 3.29Å; E202-V204 PolarHBondContact O-N 3.46Å; V204-N206 PolarHBondContact O-N 2.98Å | ||
| 205 | W | 75.5 | Confident | 63.5 | Low | 33 Ų | 33 | 84.1 Ų | 84.1 | 13% | 0.125 | 46% | 0.456 | C | S | . | . | trans | -65.5 | 116.6 | 174.2 | -70.7 | 84 | 0 | 0 | 0 | 109.6 | L6 H49 Q52 F184 F186 F210 L228 | L6-W205 HydrophobicContact CD1-CH2 4.32Å; L6-W205 HydrophobicContact CD1-CZ2 4.08Å; H49-W205 AromaticContact CE1-CE2 3.96Å; H49-W205 AromaticContact CE1-CZ2 3.91Å; H49-W205 AromaticContact CE1-NE1 3.38Å; H49-W205 PolarHBondContact CE1-NE1 3.32Å; H49-W205 AromaticContact NE2-NE1 3.78Å; Q52-W205 PolarHBondContact NE2-O 2.83Å; Q52-W205 VanDerWaalsContact NE2-O 3.11Å; F184-W205 HydrophobicContact CE2-CZ3 4.27Å; F184-W205 HydrophobicContact CZ-CH2 4.14Å; F184-W205 AromaticContact CZ-CZ3 3.76Å; F184-W205 HydrophobicContact CZ-CZ3 3.76Å; F186-W205 HydrophobicContact CZ-CE3 4.02Å; W205-F210 HydrophobicContact CE3-CE1 4.47Å; W205-F210 AromaticContact CE3-CE2 3.9Å; W205-F210 HydrophobicContact CE3-CE2 3.9Å; W205-F210 AromaticContact CE3-CZ 3.51Å; W205-F210 HydrophobicContact CE3-CZ 3.51Å; W205-F210 HydrophobicContact CZ3-CE1 4.05Å; W205-F210 HydrophobicContact CZ3-CE2 4.3Å; W205-F210 AromaticContact CZ3-CZ 3.49Å; W205-F210 HydrophobicContact CZ3-CZ 3.49Å; W205-F210 VanDerWaalsContact CZ3-CZ 3.49Å; W205-L228 HydrophobicContact CB-CD1 3.95Å | ||
| 206 | N | 77.6 | Confident | 65.4 | Low | 57 Ų | 57 | 80.6 Ų | 80.6 | 31% | 0.305 | 43% | 0.433 | S | S | . | . | trans | -121.1 | 116.4 | 174.1 | 178.3 | -7.4 | 0 | 0 | 0 | 109.2 | V204 Q208 K209 F210 | V204-N206 PolarHBondContact O-N 2.98Å; N206-Q208 PolarHBondContact O-N 3.45Å; N206-Q208 VanDerWaalsContact O-N 3.13Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.09Å; N206-Q208 PolarHBondContact OD1-N 3.24Å; N206-K209 HydrophobicContact CB-CD 4.44Å; N206-K209 HydrophobicContact CB-CG 4.29Å; N206-K209 PolarHBondContact O-N 3.15Å; N206-F210 WeakPolarHBondContact O-CD2 3.29Å | ||
| 207 | P | 76.1 | Confident | 67 | Low | 37 Ų | 37 | 80 Ų | 80 | 24% | 0.24 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -52.9 | -32.1 | 178 | -28.1 | 35.8 | 0 | 0 | 0 | 114.5 | F186 K209 F210 L215 L228 | F186-P207 HydrophobicContact CB-CB 3.92Å; F186-P207 HydrophobicContact CB-CG 4.07Å; F186-P207 HydrophobicContact CD1-CB 4.37Å; F186-P207 HydrophobicContact CD1-CG 3.79Å; F186-P207 HydrophobicContact CD2-CB 3.87Å; F186-P207 HydrophobicContact CD2-CG 4.15Å; F186-P207 HydrophobicContact CE1-CG 4.25Å; F186-P207 HydrophobicContact CE2-CB 4.48Å; F186-P207 HydrophobicContact CG-CB 3.8Å; F186-P207 HydrophobicContact CG-CG 3.75Å; P207-K209 PolarHBondContact O-N 2.89Å; P207-F210 PolarHBondContact O-N 3.06Å; P207-L215 HydrophobicContact CB-CD2 4.31Å; P207-L228 HydrophobicContact CG-CD2 4.27Å |
| 208 | Q | 71.4 | Confident | 68.4 | Low | 175 Ų | 175 | 82.6 Ų | 82.6 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -68.9 | -11.2 | -179.6 | -60.6 | 176.3 | -24.7 | 0 | 0 | 114 | N206 | N206-Q208 PolarHBondContact O-N 3.45Å; N206-Q208 VanDerWaalsContact O-N 3.13Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.09Å; N206-Q208 PolarHBondContact OD1-N 3.24Å |
| 209 | K | 74.4 | Confident | 69.7 | Low | 153 Ų | 153 | 85.4 Ų | 85.4 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -90.1 | -3.1 | 175 | -68.6 | -173.5 | 175.6 | -178 | 0 | 113.5 | N206 P207 | N206-K209 HydrophobicContact CB-CD 4.44Å; N206-K209 HydrophobicContact CB-CG 4.29Å; N206-K209 PolarHBondContact O-N 3.15Å; P207-K209 PolarHBondContact O-N 2.89Å |
| 210 | F | 74.5 | Confident | 71.1 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -104.4 | 156.9 | -179.2 | -65.9 | -92.3 | 0 | 0 | 0 | 111.8 | F186 W205 N206 P207 Y214 | F186-F210 AromaticContact CE2-CD2 3.77Å; F186-F210 HydrophobicContact CE2-CD2 3.77Å; F186-F210 HydrophobicContact CE2-CE2 4.02Å; F186-F210 HydrophobicContact CE2-CG 4.22Å; F186-F210 HydrophobicContact CZ-CE2 4.39Å; W205-F210 HydrophobicContact CE3-CE1 4.47Å; W205-F210 AromaticContact CE3-CE2 3.9Å; W205-F210 HydrophobicContact CE3-CE2 3.9Å; W205-F210 AromaticContact CE3-CZ 3.51Å; W205-F210 HydrophobicContact CE3-CZ 3.51Å; W205-F210 HydrophobicContact CZ3-CE1 4.05Å; W205-F210 HydrophobicContact CZ3-CE2 4.3Å; W205-F210 AromaticContact CZ3-CZ 3.49Å; W205-F210 HydrophobicContact CZ3-CZ 3.49Å; W205-F210 VanDerWaalsContact CZ3-CZ 3.49Å; N206-F210 WeakPolarHBondContact O-CD2 3.29Å; P207-F210 PolarHBondContact O-N 3.06Å; F210-Y214 HydrophobicContact CB-CD2 4.38Å; F210-Y214 HydrophobicContact CB-CG 4.34Å; F210-Y214 HydrophobicContact CD1-CD2 4.47Å; F210-Y214 HydrophobicContact CD1-CG 4.42Å |
| 211 | G | 72.6 | Confident | 72.7 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | trans | -66.7 | 161.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E213 Y214 | G211-E213 VanDerWaalsContact C-OE2 3.23Å; G211-E213 WeakPolarHBondContact CA-OE1 3.29Å; G211-E213 WeakPolarHBondContact CA-OE2 3.36Å; G211-E213 PolarHBondContact O-N 2.89Å; G211-E213 VanDerWaalsContact O-N 3.11Å; G211-Y214 PolarHBondContact O-N 2.77Å | ||
| 212 | S | 76.9 | Confident | 74.3 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 71% | 0.713 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -60.2 | -24 | -176.2 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | Y214 L215 | S212-Y214 PolarHBondContact O-N 3.37Å; S212-L215 PolarHBondContact O-N 3.34Å; S212-L215 VanDerWaalsContact O-N 3.08Å |
| 213 | E | 79.2 | Confident | 75.7 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -66.2 | -15.5 | 173.8 | 70.7 | -70 | 164.7 | 0 | 0 | 114.6 | Y183 G211 | Y183-E213 PolarHBondContact OH-O 2.77Å; G211-E213 VanDerWaalsContact C-OE2 3.23Å; G211-E213 WeakPolarHBondContact CA-OE1 3.29Å; G211-E213 WeakPolarHBondContact CA-OE2 3.36Å; G211-E213 PolarHBondContact O-N 2.89Å; G211-E213 VanDerWaalsContact O-N 3.11Å |
| 214 | Y | 81.8 | Confident | 76.8 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -99.9 | 9.8 | 171.8 | -69.9 | -86.1 | 0 | 0 | 0 | 113.1 | Y183 F184 R185 F186 F210 G211 S212 | Y183-Y214 HydrophobicContact CD2-CD1 4.43Å; Y183-Y214 AromaticContact CD2-CE1 3.91Å; Y183-Y214 HydrophobicContact CD2-CE1 3.91Å; Y183-Y214 HydrophobicContact CE2-CD1 4.2Å; Y183-Y214 AromaticContact CE2-CE1 3.98Å; Y183-Y214 HydrophobicContact CE2-CE1 3.98Å; F184-Y214 HydrophobicContact CE2-CD1 4.25Å; F184-Y214 HydrophobicContact CZ-CD1 4.39Å; F184-Y214 HydrophobicContact CZ-CE1 4.48Å; F184-Y214 WeakPolarHBondContact O-CD1 3.43Å; R185-Y214 CarbonylContact C-O 3.55Å; R185-Y214 VanDerWaalsContact CA-O 3.29Å; R185-Y214 WeakPolarHBondContact CA-O 3.49Å; F186-Y214 PolarHBondContact N-O 3.15Å; F210-Y214 HydrophobicContact CB-CD2 4.38Å; F210-Y214 HydrophobicContact CB-CG 4.34Å; F210-Y214 HydrophobicContact CD1-CD2 4.47Å; F210-Y214 HydrophobicContact CD1-CG 4.42Å; G211-Y214 PolarHBondContact O-N 2.77Å; S212-Y214 PolarHBondContact O-N 3.37Å |
| 215 | L | 82.5 | Confident | 77 | Confident | 57 Ų | 57 | 66 Ų | 66 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -108.3 | 138.5 | 174.5 | -56.5 | -179.8 | 0 | 0 | 0 | 110.1 | F186 T188 P207 S212 | F186-L215 HydrophobicContact CB-CD2 4.24Å; T188-L215 HydrophobicContact CG2-CD2 4.32Å; P207-L215 HydrophobicContact CB-CD2 4.31Å; S212-L215 PolarHBondContact O-N 3.34Å; S212-L215 VanDerWaalsContact O-N 3.08Å |
| 216 | S | 81.3 | Confident | 77.4 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.028 | 36% | 0.358 | C | S | . | . | trans | -76.3 | 149.4 | 168.9 | -70 | 0 | 0 | 0 | 0 | 109.7 | R185 F186 D231 | R185-S216 VanDerWaalsContact CB-OG 3.31Å; R185-S216 WeakPolarHBondContact CB-OG 3.45Å; F186-S216 PolarHBondContact O-N 2.74Å; S216-D231 WeakPolarHBondContact CB-OD2 3.46Å; S216-D231 PolarHBondContact OG-OD2 3.22Å | ||
| 217 | P | 76.8 | Confident | 77.6 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 31% | 0.312 | 36% | 0.359 | S | S | . | . | trans | -61 | 149.5 | 179.4 | -22 | 33.2 | 0 | 0 | 0 | 112.3 | L23 S219 I220 | L23-P217 HydrophobicContact CD1-CG 3.47Å; L23-P217 VanDerWaalsContact CD1-CG 3.47Å; P217-S219 PolarHBondContact O-N 3Å; P217-I220 PolarHBondContact O-N 2.95Å | ||
| 218 | D | 71.4 | Confident | 78.3 | Confident | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.1 | -178.6 | -56.7 | -48.7 | 0 | 0 | 0 | 114.3 | T188 I220 | T188-D218 PolarHBondContact OG1-OD1 3.24Å; D218-I220 PolarHBondContact O-N 2.76Å |
| 219 | S | 71.9 | Confident | 79.2 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.6 | 169 | 55.7 | 0 | 0 | 0 | 0 | 114 | P217 P221 | P217-S219 PolarHBondContact O-N 3Å; S219-P221 VanDerWaalsContact C-CD 3.47Å; S219-P221 WeakPolarHBondContact O-CD 3.49Å |
| 220 | I | 76.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -121.3 | 72.6 | -179.6 | -46.1 | -176.2 | 0 | 0 | 0 | 109.2 | N21 P217 D218 | N21-I220 HydrophobicContact CB-CD1 4.26Å; N21-I220 VanDerWaalsContact CG-CD1 3.47Å; N21-I220 VanDerWaalsContact ND2-CD1 3.27Å; N21-I220 WeakPolarHBondContact ND2-CD1 3.27Å; P217-I220 PolarHBondContact O-N 2.95Å; D218-I220 PolarHBondContact O-N 2.76Å |
| 221 | P | 74.4 | Confident | 81 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | trans | -67.3 | 161.3 | 179.3 | 30.6 | -37.2 | 0 | 0 | 0 | 111.8 | S219 C223 | S219-P221 VanDerWaalsContact C-CD 3.47Å; S219-P221 WeakPolarHBondContact O-CD 3.49Å; P221-C223 PolarHBondContact O-N 3.5Å | ||
| 222 | K | 80.6 | Confident | 82 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | trans | -47.8 | 133.7 | 167.6 | -80.3 | -159.5 | 172.3 | 177.4 | 0 | 112.4 | R187 T188 M226 E227 E229 | R187-K222 HydrophobicContact CB-CG 4.06Å; T188-K222 PolarHBondContact O-N 3.49Å; K222-M226 PolarHBondContact NZ-O 3.44Å; K222-E227 PolarHBondContact NZ-O 3.29Å; K222-E229 WeakPolarHBondContact CA-OE2 3.49Å; K222-E229 WeakPolarHBondContact CB-OE2 3.12Å; K222-E229 HydrophobicContact CD-CB 4.03Å; K222-E229 HydrophobicContact CG-CB 3.92Å | ||
| 223 | C | 80.3 | Confident | 82.7 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -104.4 | -1.5 | 170.9 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | P221 E229 A1261 | P221-C223 PolarHBondContact O-N 3.5Å; C223-E229 PolarHBondContact N-OE1 3.15Å; C223-E229 PolarHBondContact N-OE2 3.06Å; C223-E229 PolarHBondContact SG-OE1 2.99Å; C223-A1261 PolarHBondContact O-N 2.92Å | ||
| 224 | T | 83 | Confident | 83.3 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -121.5 | 160.4 | -179.3 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | Y45 C55 M226 E229 R1259 | Y45-T224 HydrophobicContact CE1-CG2 4.37Å; C55-T224 HydrophobicContact CB-CG2 3.86Å; T224-M226 PolarHBondContact OG1-N 2.89Å; T224-E229 WeakPolarHBondContact CB-OE2 3.37Å; T224-E229 PolarHBondContact N-OE2 3.3Å; T224-E229 PolarHBondContact OG1-OE2 3.5Å; T224-R1259 CarbonylContact C-O 3.47Å; T224-R1259 WeakPolarHBondContact CA-O 3.47Å; T224-R1259 WeakPolarHBondContact CB-O 3.41Å |
| 225 | S | 79 | Confident | 83.6 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | trans | -87.1 | 14.6 | 169.7 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | R1259 | S225-R1259 PolarHBondContact N-O 2.89Å; S225-R1259 WeakPolarHBondContact OG-CA 3.35Å; S225-R1259 PolarHBondContact OG-O 3.27Å | ||
| 226 | M | 83.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | trans | -72.3 | 151.7 | -180 | -63.9 | -67.2 | 77.3 | 0 | 0 | 113.2 | K53 C55 K222 T224 L228 D1224 R1259 | K53-M226 HydrophobicContact CB-SD 4.05Å; C55-M226 HydrophobicContact CB-CB 4.43Å; C55-M226 HydrophobicContact CB-CG 3.9Å; K222-M226 PolarHBondContact NZ-O 3.44Å; T224-M226 PolarHBondContact OG1-N 2.89Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 VanDerWaalsContact CB-O 3.29Å; M226-L228 WeakPolarHBondContact CB-O 3.36Å; M226-L228 PolarHBondContact O-N 3.04Å; M226-D1224 WeakPolarHBondContact CE-OD1 3.49Å; M226-D1224 WeakPolarHBondContact CE-OD2 3.45Å; M226-R1259 HydrophobicContact CE-CB 3.95Å; M226-R1259 VanDerWaalsContact CE-CD 3.48Å; M226-R1259 HydrophobicContact CE-CG 3.54Å; M226-R1259 HydrophobicContact SD-CB 4.39Å; M226-R1259 VanDerWaalsContact SD-CD 3.57Å; M226-R1259 HydrophobicContact SD-CG 4.2Å | ||
| 227 | E | 82.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 33% | 0.327 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -57 | -49.8 | 174.5 | -167.7 | -169.3 | 153.3 | 0 | 0 | 109.9 | Q52 K53 K222 | Q52-E227 WeakPolarHBondContact CA-OE2 3.49Å; Q52-E227 WeakPolarHBondContact CB-OE2 3.41Å; Q52-E227 VanDerWaalsContact CG-OE1 3.25Å; Q52-E227 WeakPolarHBondContact CG-OE1 3.29Å; Q52-E227 PolarHBondContact NE2-OE1 2.86Å; K53-E227 PolarHBondContact N-OE2 2.91Å; K53-E227 WeakPolarHBondContact O-CB 3.48Å; K53-E227 PolarHBondContact O-N 3.43Å; K222-E227 PolarHBondContact NZ-O 3.29Å |
| 228 | L | 88.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.3 | 172.8 | -58.6 | 174.6 | 0 | 0 | 0 | 110.6 | T48 Q52 K53 I54 C55 F186 W205 P207 M226 | T48-L228 HydrophobicContact CG2-CD1 3.86Å; Q52-L228 HydrophobicContact CB-CD1 4.16Å; K53-L228 PolarHBondContact O-N 3.47Å; K53-L228 VanDerWaalsContact O-N 3.11Å; I54-L228 WeakPolarHBondContact CA-O 3.05Å; I54-L228 HydrophobicContact CB-CB 4Å; I54-L228 HydrophobicContact CD1-CB 3.87Å; I54-L228 HydrophobicContact CD1-CD1 4.17Å; I54-L228 HydrophobicContact CG1-CB 3.76Å; C55-L228 PolarHBondContact N-O 2.92Å; F186-L228 HydrophobicContact CD1-CD2 4.5Å; F186-L228 HydrophobicContact CE1-CD2 4.13Å; W205-L228 HydrophobicContact CB-CD1 3.95Å; P207-L228 HydrophobicContact CG-CD2 4.27Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 VanDerWaalsContact CB-O 3.29Å; M226-L228 WeakPolarHBondContact CB-O 3.36Å; M226-L228 PolarHBondContact O-N 3.04Å |
| 229 | E | 91.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.2 | 166.5 | -169.6 | 176.2 | 148.9 | 0 | 0 | 108.4 | C55 N57 F186 R187 K222 C223 T224 | C55-E229 HydrophobicContact CB-CG 4.37Å; C55-E229 CarbonylContact O-C 3.55Å; C55-E229 VanDerWaalsContact O-CA 3.29Å; C55-E229 WeakPolarHBondContact O-CA 3.42Å; N57-E229 WeakPolarHBondContact ND2-CG 3.5Å; N57-E229 PolarHBondContact ND2-OE1 2.83Å; F186-E229 WeakPolarHBondContact CA-O 3.22Å; R187-E229 HydrophobicContact CB-CB 4.43Å; R187-E229 HydrophobicContact CB-CG 4.48Å; R187-E229 WeakPolarHBondContact CD-OE1 3.23Å; R187-E229 IonicContact CZ-OE1 3.45Å; R187-E229 PolarHBondContact N-O 3.25Å; R187-E229 IonicContact NE-OE1 3.61Å; R187-E229 IonicContact NH1-OE1 3.11Å; R187-E229 PolarHBondContact NH1-OE1 2.99Å; K222-E229 WeakPolarHBondContact CA-OE2 3.49Å; K222-E229 WeakPolarHBondContact CB-OE2 3.12Å; K222-E229 HydrophobicContact CD-CB 4.03Å; K222-E229 HydrophobicContact CG-CB 3.92Å; C223-E229 PolarHBondContact N-OE1 3.15Å; C223-E229 PolarHBondContact N-OE2 3.06Å; C223-E229 PolarHBondContact SG-OE1 2.99Å; T224-E229 WeakPolarHBondContact CB-OE2 3.37Å; T224-E229 PolarHBondContact N-OE2 3.3Å; T224-E229 PolarHBondContact OG1-OE2 3.5Å |
| 230 | V | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 157.6 | -178.3 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | L6 I54 C55 A56 N57 F184 R185 F186 I232 | L6-V230 HydrophobicContact CD2-CG1 4.31Å; L6-V230 HydrophobicContact CD2-CG2 4.12Å; I54-V230 HydrophobicContact CD1-CG1 4.31Å; I54-V230 HydrophobicContact CD1-CG2 4.16Å; C55-V230 PolarHBondContact O-N 2.95Å; A56-V230 HydrophobicContact CB-CG2 3.54Å; N57-V230 WeakPolarHBondContact CB-O 3.29Å; N57-V230 PolarHBondContact N-O 3.5Å; N57-V230 PolarHBondContact ND2-O 2.75Å; F184-V230 HydrophobicContact CD2-CG1 4.29Å; R185-V230 CarbonylContact O-C 3.52Å; R185-V230 WeakPolarHBondContact O-CA 3.3Å; R185-V230 VanDerWaalsContact O-CB 3.31Å; R185-V230 WeakPolarHBondContact O-CB 3.39Å; F186-V230 HydrophobicContact CD1-CG1 3.42Å; F186-V230 VanDerWaalsContact CD1-CG1 3.42Å; F186-V230 HydrophobicContact CE1-CG1 3.68Å; F186-V230 HydrophobicContact CG-CG1 4.19Å; V230-I232 HydrophobicContact CG2-CD1 3.94Å; V230-I232 HydrophobicContact CG2-CG1 3.95Å |
| 231 | D | 92.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.9 | 164.3 | -62.9 | -60.7 | 0 | 0 | 0 | 109.7 | L24 N57 H59 F184 R185 R187 S216 | L24-D231 HydrophobicContact CD1-CB 3.62Å; N57-D231 WeakPolarHBondContact O-CA 3.34Å; H59-D231 IonicContact CD2-OD1 3.8Å; H59-D231 IonicContact NE2-OD1 3.41Å; H59-D231 PolarHBondContact NE2-OD1 2.81Å; F184-D231 CarbonylContact C-O 3.52Å; F184-D231 VanDerWaalsContact CA-O 3.31Å; F184-D231 WeakPolarHBondContact CA-O 3.24Å; R185-D231 PolarHBondContact N-O 3.21Å; R185-D231 PolarHBondContact O-N 3.32Å; R187-D231 WeakPolarHBondContact CG-OD2 3.47Å; R187-D231 IonicContact CZ-OD1 3.68Å; R187-D231 VanDerWaalsContact NE-CG 3.32Å; R187-D231 IonicContact NE-OD1 3.83Å; R187-D231 PolarHBondContact NE-OD1 2.83Å; R187-D231 IonicContact NE-OD2 3.41Å; R187-D231 PolarHBondContact NE-OD2 3Å; R187-D231 VanDerWaalsContact NE-OD2 3.1Å; R187-D231 IonicContact NH2-OD1 2.76Å; R187-D231 PolarHBondContact NH2-OD1 3.3Å; S216-D231 WeakPolarHBondContact CB-OD2 3.46Å; S216-D231 PolarHBondContact OG-OD2 3.22Å |
| 232 | I | 93.6 | Very high | 87 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.5 | -177.6 | -51 | -174.2 | 0 | 0 | 0 | 108.5 | I8 A56 N57 V58 H59 L179 A181 F184 V230 D236 I237 | I8-I232 HydrophobicContact CD1-CD1 4.41Å; A56-I232 HydrophobicContact CB-CD1 3.6Å; A56-I232 HydrophobicContact CB-CG1 4.2Å; N57-I232 PolarHBondContact O-N 2.8Å; V58-I232 WeakPolarHBondContact CA-O 3.49Å; H59-I232 PolarHBondContact N-O 2.69Å; L179-I232 HydrophobicContact CD2-CD1 4.46Å; A181-I232 HydrophobicContact CB-CD1 3.87Å; A181-I232 HydrophobicContact CB-CG2 3.98Å; F184-I232 HydrophobicContact CB-CG1 4.01Å; V230-I232 HydrophobicContact CG2-CD1 3.94Å; V230-I232 HydrophobicContact CG2-CG1 3.95Å; I232-D236 HydrophobicContact CG2-CB 4.31Å; I232-I237 HydrophobicContact CG2-CG1 4.42Å |
| 233 | S | 92.4 | Very high | 86.6 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 140.1 | 167.4 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | W235 D236 | S233-W235 PolarHBondContact O-N 3.33Å; S233-D236 WeakPolarHBondContact CB-OD2 3.39Å; S233-D236 WeakPolarHBondContact O-CB 3.1Å; S233-D236 PolarHBondContact O-N 2.97Å |
| 234 | A | 92 | Very high | 85.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -57.4 | -24.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V58 H59 V61 Y171 D236 I237 | V58-A234 HydrophobicContact CG1-CB 4.1Å; H59-A234 WeakPolarHBondContact O-CB 3.34Å; H59-A234 PolarHBondContact O-N 3.43Å; V61-A234 HydrophobicContact CG2-CB 3.58Å; Y171-A234 HydrophobicContact CE1-CB 3.88Å; Y171-A234 WeakPolarHBondContact CE1-O 2.95Å; Y171-A234 HydrophobicContact CE2-CB 4.37Å; Y171-A234 WeakPolarHBondContact OH-CB 3.36Å; A234-D236 VanDerWaalsContact C-N 3.3Å; A234-D236 PolarHBondContact O-N 2.55Å; A234-I237 PolarHBondContact O-N 2.96Å |
| 235 | W | 89.1 | Confident | 84.5 | Confident | 173 Ų | 173 | 48.9 Ų | 48.9 | 66% | 0.655 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -67.9 | -23.1 | 173.1 | -66.5 | 111 | 0 | 0 | 0 | 114.7 | S233 I237 | S233-W235 PolarHBondContact O-N 3.33Å; W235-I237 VanDerWaalsContact C-N 3.33Å |
| 236 | D | 92 | Very high | 83.2 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -85 | -6.2 | 179.7 | -63.7 | -49.3 | 0 | 0 | 0 | 113 | A181 G182 I232 S233 A234 L238 | A181-D236 WeakPolarHBondContact CA-O 3.43Å; G182-D236 PolarHBondContact N-O 2.95Å; I232-D236 HydrophobicContact CG2-CB 4.31Å; S233-D236 WeakPolarHBondContact CB-OD2 3.39Å; S233-D236 WeakPolarHBondContact O-CB 3.1Å; S233-D236 PolarHBondContact O-N 2.97Å; A234-D236 VanDerWaalsContact C-N 3.3Å; A234-D236 PolarHBondContact O-N 2.55Å; D236-L238 PolarHBondContact O-N 2.72Å |
| 237 | I | 92.9 | Very high | 81.8 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 110.2 | 177.7 | -58.9 | 175.4 | 0 | 0 | 0 | 109.9 | V58 F167 Y171 L173 L179 I232 A234 W235 N239 | V58-I237 HydrophobicContact CG1-CD1 3.93Å; F167-I237 HydrophobicContact CE2-CD1 4Å; F167-I237 HydrophobicContact CZ-CD1 4.11Å; Y171-I237 HydrophobicContact CD1-CB 4.11Å; Y171-I237 HydrophobicContact CD1-CD1 4.13Å; Y171-I237 HydrophobicContact CD1-CG2 4.35Å; Y171-I237 HydrophobicContact CG-CD1 4.29Å; L173-I237 HydrophobicContact CD2-CG2 4.14Å; L179-I237 HydrophobicContact CD1-CD1 4.38Å; L179-I237 HydrophobicContact CG-CG2 4.37Å; I232-I237 HydrophobicContact CG2-CG1 4.42Å; A234-I237 PolarHBondContact O-N 2.96Å; W235-I237 VanDerWaalsContact C-N 3.33Å; I237-N239 HydrophobicContact CG2-CB 4.25Å |
| 238 | L | 91.6 | Very high | 80.6 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -76.8 | -26.9 | -170.8 | -56 | -179.8 | 0 | 0 | 0 | 113.4 | Y180 D236 R240 R241 | Y180-L238 PolarHBondContact O-N 2.98Å; D236-L238 PolarHBondContact O-N 2.72Å; L238-R240 PolarHBondContact O-N 3.3Å; L238-R241 VanDerWaalsContact CD2-CZ 3.5Å; L238-R241 VanDerWaalsContact O-CB 3.32Å; L238-R241 WeakPolarHBondContact O-CB 3.31Å; L238-R241 WeakPolarHBondContact O-CG 3.31Å; L238-R241 PolarHBondContact O-N 3.25Å |
| 239 | N | 88.9 | Confident | 79.5 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -52.2 | -29.9 | 179 | -64.9 | 69.3 | 0 | 0 | 0 | 113.7 | Y171 N172 L173 L178 Y180 I237 R241 D242 | Y171-N239 WeakPolarHBondContact O-CB 3.44Å; N172-N239 HydrophobicContact CB-CB 4.42Å; N172-N239 WeakPolarHBondContact CB-O 3.49Å; N172-N239 PolarHBondContact ND2-O 3.34Å; L173-N239 HydrophobicContact CD2-CB 3.9Å; L178-N239 PolarHBondContact O-ND2 2.93Å; Y180-N239 PolarHBondContact N-OD1 2.85Å; I237-N239 HydrophobicContact CG2-CB 4.25Å; N239-R241 PolarHBondContact O-N 3.26Å; N239-D242 PolarHBondContact O-N 3.4Å |
| 240 | R | 83.7 | Confident | 78.5 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -65.6 | -20.9 | 178.2 | -169.8 | 172.2 | 177.7 | -152.7 | -2.5 | 113 | D170 Y171 L238 L243 | D170-R240 WeakPolarHBondContact O-CD 3.4Å; Y171-R240 HydrophobicContact CD1-CB 4.26Å; Y171-R240 HydrophobicContact CD1-CG 4.5Å; L238-R240 PolarHBondContact O-N 3.3Å; R240-L243 HydrophobicContact CG-CD1 4.39Å; R240-L243 WeakPolarHBondContact O-CB 3.4Å; R240-L243 PolarHBondContact O-N 2.99Å |
| 241 | R | 82.8 | Confident | 77.2 | Confident | 148 Ų | 148 | 59.9 Ų | 59.9 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -72.2 | -34.2 | 177.1 | -59.9 | -178.5 | -173 | -179.6 | 3.5 | 111.9 | L238 N239 L243 Q244 | L238-R241 VanDerWaalsContact CD2-CZ 3.5Å; L238-R241 VanDerWaalsContact O-CB 3.32Å; L238-R241 WeakPolarHBondContact O-CB 3.31Å; L238-R241 WeakPolarHBondContact O-CG 3.31Å; L238-R241 PolarHBondContact O-N 3.25Å; N239-R241 PolarHBondContact O-N 3.26Å; R241-L243 PolarHBondContact O-N 2.65Å; R241-Q244 WeakPolarHBondContact O-CB 3.47Å; R241-Q244 PolarHBondContact O-N 2.66Å |
| 242 | D | 73.5 | Confident | 76 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -12.4 | 176.8 | -58.6 | -74.2 | 0 | 0 | 0 | 113 | N239 R1079 | N239-D242 PolarHBondContact O-N 3.4Å; D242-R1079 VanDerWaalsContact CG-NH2 3.31Å; D242-R1079 IonicContact OD1-CZ 2.71Å; D242-R1079 VanDerWaalsContact OD1-CZ 3.25Å; D242-R1079 IonicContact OD1-NH1 2.65Å; D242-R1079 PolarHBondContact OD1-NH1 3.43Å; D242-R1079 IonicContact OD1-NH2 2.72Å; D242-R1079 PolarHBondContact OD1-NH2 2.84Å; D242-R1079 IonicContact OD2-CZ 3.61Å; D242-R1079 IonicContact OD2-NH2 3.73Å; D242-R1079 PolarHBondContact OD2-NH2 2.6Å |
| 243 | L | 71.6 | Confident | 75.4 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -79.1 | -14.1 | 171.7 | -63.1 | 176 | 0 | 0 | 0 | 114.3 | N172 R240 R241 P251 | N172-L243 HydrophobicContact CB-CD1 4.01Å; N172-L243 HydrophobicContact CB-CD2 3.92Å; N172-L243 HydrophobicContact CB-CG 3.81Å; R240-L243 HydrophobicContact CG-CD1 4.39Å; R240-L243 WeakPolarHBondContact O-CB 3.4Å; R240-L243 PolarHBondContact O-N 2.99Å; R241-L243 PolarHBondContact O-N 2.65Å; L243-P251 HydrophobicContact CD2-CG 4.45Å |
| 244 | Q | 63.8 | Low | 74.6 | Confident | 157 Ų | 157 | 62.7 Ų | 62.7 | 73% | 0.734 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -88 | -32.1 | -175.3 | -61.5 | -169 | -49.6 | 0 | 0 | 112.7 | R241 | R241-Q244 WeakPolarHBondContact O-CB 3.47Å; R241-Q244 PolarHBondContact O-N 2.66Å |
| 245 | D | 55.1 | Low | 73.9 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -95.5 | -17.4 | -167.6 | -58.6 | -39.7 | 0 | 0 | 0 | 114.5 | Y1073 | D245-Y1073 PolarHBondContact OD2-OH 2.91Å |
| 246 | N | 52.5 | Low | 73.6 | Confident | 89 Ų | 89 | 57.1 Ų | 57.1 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | trans | -130.8 | 101.1 | -177.4 | -94.7 | -36.6 | 0 | 0 | 0 | 112.6 | S248 | N246-S248 PolarHBondContact O-N 3.45Š| ||
| 247 | L | 53.8 | Low | 73.1 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -80.5 | -6.8 | -178.6 | -89.9 | 167.1 | 0 | 0 | 0 | 115.1 | R1601 | L247-R1601 PolarHBondContact O-NH2 3.36Š|
| 248 | S | 58.2 | Low | 72.5 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.6 | -52.8 | -163.8 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | N246 R1601 Q1605 | N246-S248 PolarHBondContact O-N 3.45Å; S248-R1601 PolarHBondContact O-NE 3.11Å; S248-R1601 PolarHBondContact O-NH2 2.62Å; S248-Q1605 PolarHBondContact O-NE2 2.85Å |
| 249 | I | 64.4 | Low | 72 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -117.9 | 147.7 | -165.4 | -63.7 | 170.7 | 0 | 0 | 0 | 111.7 | P251 L253 E254 | I249-P251 WeakPolarHBondContact O-CD 3.41Å; I249-L253 HydrophobicContact CG2-CB 4.34Å; I249-E254 WeakPolarHBondContact CD1-OE2 3.47Å; I249-E254 HydrophobicContact CG2-CB 4.04Å |
| 250 | N | 70 | Confident | 71.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | trans | -60.8 | 123.1 | 171.8 | 179.7 | -33.1 | 0 | 0 | 0 | 110.7 | G252 L253 E254 L1476 | N250-G252 PolarHBondContact O-N 3.41Å; N250-G252 VanDerWaalsContact O-N 3.08Å; N250-G252 PolarHBondContact OD1-N 3.47Å; N250-L253 HydrophobicContact CB-CB 4.44Å; N250-L253 HydrophobicContact CB-CD1 4.1Å; N250-L253 HydrophobicContact CB-CG 4.08Å; N250-L253 PolarHBondContact O-N 2.92Å; N250-E254 PolarHBondContact O-N 3.3Å; N250-L1476 WeakPolarHBondContact ND2-CD2 3.33Å | ||
| 251 | P | 66.1 | Low | 71.9 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.6 | -28.6 | -175.5 | -30.3 | 38.2 | 0 | 0 | 0 | 115.7 | N172 F174 L243 I249 A255 | N172-P251 WeakPolarHBondContact OD1-CG 3.39Å; F174-P251 HydrophobicContact CE2-CB 4.43Å; L243-P251 HydrophobicContact CD2-CG 4.45Å; I249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-A255 WeakPolarHBondContact O-CB 3.27Å; P251-A255 PolarHBondContact O-N 2.77Å; P251-A255 VanDerWaalsContact O-N 3.14Å |
| 252 | G | 69.1 | Low | 71.7 | Confident | 7 Ų | 7 | 58 Ų | 58 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.1 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N250 | N250-G252 PolarHBondContact O-N 3.41Å; N250-G252 VanDerWaalsContact O-N 3.08Å; N250-G252 PolarHBondContact OD1-N 3.47Å |
| 253 | L | 79.7 | Confident | 72.1 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.3 | -44.7 | 173.6 | -57 | -177.7 | 0 | 0 | 0 | 110.6 | I249 N250 A255 M256 W257 Q1605 L1606 T1609 L1637 | I249-L253 HydrophobicContact CG2-CB 4.34Å; N250-L253 HydrophobicContact CB-CB 4.44Å; N250-L253 HydrophobicContact CB-CD1 4.1Å; N250-L253 HydrophobicContact CB-CG 4.08Å; N250-L253 PolarHBondContact O-N 2.92Å; L253-A255 PolarHBondContact O-N 3.19Å; L253-M256 HydrophobicContact CD2-CE 3.53Å; L253-M256 WeakPolarHBondContact O-CB 3.21Å; L253-M256 PolarHBondContact O-N 2.89Å; L253-W257 PolarHBondContact O-N 3.46Å; L253-Q1605 HydrophobicContact CD1-CB 3.77Å; L253-L1606 HydrophobicContact CD1-CD2 4.11Å; L253-L1606 HydrophobicContact CD1-CG 4.47Å; L253-L1606 HydrophobicContact CD2-CD2 4.28Å; L253-T1609 HydrophobicContact CD2-CG2 4.4Å; L253-L1637 HydrophobicContact CD2-CD2 3.86Å |
| 254 | E | 76.6 | Confident | 72.6 | Confident | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.9 | -38.6 | 176.8 | -174.2 | 60 | -154.9 | 0 | 0 | 112.1 | I249 N250 M256 W257 H258 | I249-E254 WeakPolarHBondContact CD1-OE2 3.47Å; I249-E254 HydrophobicContact CG2-CB 4.04Å; N250-E254 PolarHBondContact O-N 3.3Å; E254-M256 VanDerWaalsContact C-N 3.32Å; E254-M256 PolarHBondContact O-N 3Å; E254-W257 PolarHBondContact O-N 2.89Å; E254-H258 WeakPolarHBondContact O-CB 3.45Å; E254-H258 PolarHBondContact O-N 2.77Å |
| 255 | A | 75.9 | Confident | 73.4 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P251 L253 H258 E259 | P251-A255 WeakPolarHBondContact O-CB 3.27Å; P251-A255 PolarHBondContact O-N 2.77Å; P251-A255 VanDerWaalsContact O-N 3.14Å; L253-A255 PolarHBondContact O-N 3.19Å; A255-H258 PolarHBondContact O-N 3.14Å; A255-E259 VanDerWaalsContact O-CB 3.31Å; A255-E259 WeakPolarHBondContact O-CB 3.36Å; A255-E259 PolarHBondContact O-N 3.06Å |
| 256 | M | 82.9 | Confident | 74.3 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 177.9 | -68.3 | -174.4 | -76.2 | 0 | 0 | 112.1 | L253 E254 E259 E260 I1456 T1609 R1633 | L253-M256 HydrophobicContact CD2-CE 3.53Å; L253-M256 WeakPolarHBondContact O-CB 3.21Å; L253-M256 PolarHBondContact O-N 2.89Å; E254-M256 VanDerWaalsContact C-N 3.32Å; E254-M256 PolarHBondContact O-N 3Å; M256-E259 PolarHBondContact O-N 3.28Å; M256-E260 PolarHBondContact O-N 3.31Å; M256-I1456 HydrophobicContact CE-CG1 3.99Å; M256-I1456 HydrophobicContact SD-CG1 4.13Å; M256-T1609 HydrophobicContact CE-CG2 3.98Å; M256-R1633 HydrophobicContact SD-CB 4.37Å; M256-R1633 HydrophobicContact SD-CG 3.88Å |
| 257 | W | 82.9 | Confident | 75.2 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 172.2 | -80.5 | 91.8 | 0 | 0 | 0 | 111.9 | L253 E254 E260 K261 M278 P279 L284 T1608 T1609 M1612 | L253-W257 PolarHBondContact O-N 3.46Å; E254-W257 PolarHBondContact O-N 2.89Å; W257-E260 PolarHBondContact O-N 3.03Å; W257-K261 WeakPolarHBondContact O-CB 3.44Å; W257-K261 PolarHBondContact O-N 3.16Å; W257-M278 HydrophobicContact CE3-CE 3.86Å; W257-M278 HydrophobicContact CE3-CG 4.27Å; W257-M278 HydrophobicContact CE3-SD 3.88Å; W257-M278 HydrophobicContact CZ3-CE 4.19Å; W257-M278 HydrophobicContact CZ3-CG 4.18Å; W257-M278 HydrophobicContact CZ3-SD 4.35Å; W257-P279 WeakPolarHBondContact CZ3-O 3.35Å; W257-L284 HydrophobicContact CH2-CD1 3.93Å; W257-T1608 HydrophobicContact CH2-CG2 3.88Å; W257-T1608 HydrophobicContact CZ2-CG2 3.54Å; W257-T1609 PolarHBondContact NE1-OG1 2.67Å; W257-M1612 HydrophobicContact CD2-CE 3.84Å; W257-M1612 HydrophobicContact CD2-CG 4.29Å; W257-M1612 HydrophobicContact CE3-CE 4.39Å; W257-M1612 HydrophobicContact CE3-CG 4Å; W257-M1612 HydrophobicContact CG-CE 3.89Å; W257-M1612 HydrophobicContact CH2-CB 3.74Å; W257-M1612 HydrophobicContact CH2-CG 3.96Å; W257-M1612 HydrophobicContact CZ2-CB 3.79Å; W257-M1612 HydrophobicContact CZ2-CG 4.2Å; W257-M1612 HydrophobicContact CZ3-CB 4.16Å; W257-M1612 HydrophobicContact CZ3-CG 3.84Å |
| 258 | H | 79.9 | Confident | 75.7 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 178.1 | -162.1 | 92.4 | 0 | 0 | 0 | 112.2 | E254 A255 K261 M262 | E254-H258 WeakPolarHBondContact O-CB 3.45Å; E254-H258 PolarHBondContact O-N 2.77Å; A255-H258 PolarHBondContact O-N 3.14Å; H258-K261 PolarHBondContact O-N 2.84Å; H258-M262 VanDerWaalsContact NE2-CE 3.27Å; H258-M262 WeakPolarHBondContact NE2-CE 3.47Å; H258-M262 VanDerWaalsContact O-CG 3.31Å; H258-M262 WeakPolarHBondContact O-CG 3.49Å; H258-M262 PolarHBondContact O-N 3.46Å |
| 259 | E | 81.8 | Confident | 75.7 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.2 | -166.8 | -158.9 | 105.3 | 0 | 0 | 111.8 | A255 M256 M262 R263 R1633 | A255-E259 VanDerWaalsContact O-CB 3.31Å; A255-E259 WeakPolarHBondContact O-CB 3.36Å; A255-E259 PolarHBondContact O-N 3.06Å; M256-E259 PolarHBondContact O-N 3.28Å; E259-M262 PolarHBondContact O-N 3.39Å; E259-R263 WeakPolarHBondContact O-CB 3.4Å; E259-R263 PolarHBondContact O-N 3.4Å; E259-R263 IonicContact OE1-CZ 2.79Å; E259-R263 IonicContact OE1-NH1 2.87Å; E259-R263 PolarHBondContact OE1-NH1 3.3Å; E259-R263 IonicContact OE1-NH2 3.48Å; E259-R263 PolarHBondContact OE1-NH2 3.37Å; E259-R1633 VanDerWaalsContact CD-NH1 3.25Å; E259-R1633 IonicContact OE1-CZ 3.3Å; E259-R1633 IonicContact OE1-NH1 3.39Å; E259-R1633 PolarHBondContact OE1-NH1 3.28Å; E259-R1633 IonicContact OE1-NH2 3.92Å; E259-R1633 IonicContact OE2-CZ 3.45Å; E259-R1633 IonicContact OE2-NH1 2.87Å; E259-R1633 PolarHBondContact OE2-NH1 3.29Å; E259-R1633 IonicContact OE2-NH2 2.7Å; E259-R1633 PolarHBondContact OE2-NH2 2.96Å |
| 260 | E | 84.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 176.5 | 178.8 | 57.7 | -164.1 | 0 | 0 | 112.4 | M256 W257 M262 R263 R264 M1612 S1616 | M256-E260 PolarHBondContact O-N 3.31Å; W257-E260 PolarHBondContact O-N 3.03Å; E260-M262 VanDerWaalsContact C-N 3.3Å; E260-M262 PolarHBondContact O-N 2.84Å; E260-R263 WeakPolarHBondContact O-CB 3.18Å; E260-R263 PolarHBondContact O-N 3.17Å; E260-R263 WeakPolarHBondContact OE2-CD 3.34Å; E260-R263 IonicContact OE2-CZ 2.59Å; E260-R263 IonicContact OE2-NE 3.62Å; E260-R263 IonicContact OE2-NH1 2.86Å; E260-R263 PolarHBondContact OE2-NH1 2.99Å; E260-R264 WeakPolarHBondContact O-CG 3.4Å; E260-R264 PolarHBondContact O-N 3.19Å; E260-R264 WeakPolarHBondContact OE1-CG 3.44Å; E260-R264 IonicContact OE1-CZ 2.8Å; E260-R264 IonicContact OE1-NE 3.06Å; E260-R264 PolarHBondContact OE1-NE 2.67Å; E260-R264 IonicContact OE1-NH2 3.57Å; E260-R264 PolarHBondContact OE1-NH2 3.04Å; E260-M1612 HydrophobicContact CB-SD 3.92Å; E260-M1612 HydrophobicContact CG-SD 3.86Å; E260-S1616 VanDerWaalsContact CD-OG 3.26Å; E260-S1616 PolarHBondContact OE1-OG 3.39Å |
| 261 | K | 84.4 | Confident | 74.4 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 172.8 | -163.4 | 175.6 | -173.7 | 172.8 | 0 | 111.6 | W257 H258 A265 M278 | W257-K261 WeakPolarHBondContact O-CB 3.44Å; W257-K261 PolarHBondContact O-N 3.16Å; H258-K261 PolarHBondContact O-N 2.84Å; K261-A265 WeakPolarHBondContact O-CB 3.47Å; K261-A265 PolarHBondContact O-N 2.94Å; K261-M278 HydrophobicContact CB-SD 3.58Å; K261-M278 VanDerWaalsContact CB-SD 3.58Å; K261-M278 HydrophobicContact CD-CE 4.12Å; K261-M278 HydrophobicContact CD-SD 4.18Å; K261-M278 HydrophobicContact CG-CE 4.39Å; K261-M278 HydrophobicContact CG-SD 3.83Å |
| 262 | M | 79 | Confident | 73.3 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 177.5 | -67.8 | -61.7 | 175 | 0 | 0 | 112.1 | H258 E259 E260 A265 S266 | H258-M262 VanDerWaalsContact NE2-CE 3.27Å; H258-M262 WeakPolarHBondContact NE2-CE 3.47Å; H258-M262 VanDerWaalsContact O-CG 3.31Å; H258-M262 WeakPolarHBondContact O-CG 3.49Å; H258-M262 PolarHBondContact O-N 3.46Å; E259-M262 PolarHBondContact O-N 3.39Å; E260-M262 VanDerWaalsContact C-N 3.3Å; E260-M262 PolarHBondContact O-N 2.84Å; M262-A265 PolarHBondContact O-N 3.39Å; M262-S266 WeakPolarHBondContact O-CB 3.31Å; M262-S266 PolarHBondContact O-N 3.45Å; M262-S266 PolarHBondContact O-OG 3.28Å |
| 263 | R | 82.6 | Confident | 72.5 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 173.2 | -170.1 | -177 | -72.8 | 101.9 | 5.7 | 111.7 | E259 E260 S266 K267 Y1620 | E259-R263 WeakPolarHBondContact O-CB 3.4Å; E259-R263 PolarHBondContact O-N 3.4Å; E259-R263 IonicContact OE1-CZ 2.79Å; E259-R263 IonicContact OE1-NH1 2.87Å; E259-R263 PolarHBondContact OE1-NH1 3.3Å; E259-R263 IonicContact OE1-NH2 3.48Å; E259-R263 PolarHBondContact OE1-NH2 3.37Å; E260-R263 WeakPolarHBondContact O-CB 3.18Å; E260-R263 PolarHBondContact O-N 3.17Å; E260-R263 WeakPolarHBondContact OE2-CD 3.34Å; E260-R263 IonicContact OE2-CZ 2.59Å; E260-R263 IonicContact OE2-NE 3.62Å; E260-R263 IonicContact OE2-NH1 2.86Å; E260-R263 PolarHBondContact OE2-NH1 2.99Å; R263-S266 PolarHBondContact O-N 3.08Å; R263-S266 PolarHBondContact O-OG 2.75Å; R263-K267 PolarHBondContact O-N 2.72Å; R263-Y1620 VanDerWaalsContact CD-CE2 3.48Å; R263-Y1620 HydrophobicContact CG-CE2 4.3Å; R263-Y1620 WeakPolarHBondContact CG-OH 3.34Å |
| 264 | R | 82.9 | Confident | 71.4 | Confident | 14 Ų | 14 | 79 Ų | 79 | 5% | 0.053 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 176 | -66.8 | -172 | -171.4 | -163.6 | 6.4 | 112.8 | E260 K267 R268 L275 P276 E277 | E260-R264 WeakPolarHBondContact O-CG 3.4Å; E260-R264 PolarHBondContact O-N 3.19Å; E260-R264 WeakPolarHBondContact OE1-CG 3.44Å; E260-R264 IonicContact OE1-CZ 2.8Å; E260-R264 IonicContact OE1-NE 3.06Å; E260-R264 PolarHBondContact OE1-NE 2.67Å; E260-R264 IonicContact OE1-NH2 3.57Å; E260-R264 PolarHBondContact OE1-NH2 3.04Å; R264-K267 PolarHBondContact O-N 3.11Å; R264-R268 PolarHBondContact O-N 3.35Å; R264-L275 HydrophobicContact CB-CD1 4.36Å; R264-L275 HydrophobicContact CG-CD1 4.37Å; R264-P276 PolarHBondContact NH1-O 3.06Å; R264-E277 PolarHBondContact NH1-O 3.38Å; R264-E277 VanDerWaalsContact NH1-O 3.11Å |
| 265 | A | 79.4 | Confident | 70.7 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -53.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | K261 M262 K267 R268 | K261-A265 WeakPolarHBondContact O-CB 3.47Å; K261-A265 PolarHBondContact O-N 2.94Å; M262-A265 PolarHBondContact O-N 3.39Å; A265-K267 PolarHBondContact O-N 2.83Å; A265-K267 VanDerWaalsContact O-N 3.11Å; A265-R268 WeakPolarHBondContact O-CB 3.36Å; A265-R268 PolarHBondContact O-N 2.86Å |
| 266 | S | 75 | Confident | 70.3 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.4 | -27.3 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | M262 R263 I270 | M262-S266 WeakPolarHBondContact O-CB 3.31Å; M262-S266 PolarHBondContact O-N 3.45Å; M262-S266 PolarHBondContact O-OG 3.28Å; R263-S266 PolarHBondContact O-N 3.08Å; R263-S266 PolarHBondContact O-OG 2.75Å; S266-I270 VanDerWaalsContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CD1 3.29Å; S266-I270 WeakPolarHBondContact O-CG1 3.06Å |
| 267 | K | 70.7 | Confident | 69.7 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -78.1 | -31.6 | 173.6 | -121.5 | -164.6 | 179 | -165.5 | 0 | 113.3 | R263 R264 A265 D269 I270 S271 L275 Y1620 | R263-K267 PolarHBondContact O-N 2.72Å; R264-K267 PolarHBondContact O-N 3.11Å; A265-K267 PolarHBondContact O-N 2.83Å; A265-K267 VanDerWaalsContact O-N 3.11Å; K267-D269 PolarHBondContact O-N 2.89Å; K267-I270 PolarHBondContact O-N 3.19Å; K267-S271 PolarHBondContact O-N 2.6Å; K267-S271 PolarHBondContact O-OG 3.14Å; K267-L275 HydrophobicContact CB-CD1 3.57Å; K267-L275 HydrophobicContact CD-CD1 3.79Å; K267-L275 HydrophobicContact CD-CG 4.39Å; K267-L275 HydrophobicContact CG-CD1 4.33Å; K267-Y1620 HydrophobicContact CD-CE1 4.2Å |
| 268 | R | 64.4 | Low | 69.4 | Low | 102 Ų | 102 | 86 Ų | 86 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -25.3 | 177.7 | -75.9 | 178.4 | 167.4 | -161.7 | -11.9 | 112.8 | R264 A265 I270 L275 E277 | R264-R268 PolarHBondContact O-N 3.35Å; A265-R268 WeakPolarHBondContact O-CB 3.36Å; A265-R268 PolarHBondContact O-N 2.86Å; R268-I270 VanDerWaalsContact C-N 3.3Å; R268-L275 PolarHBondContact NE-O 3.18Å; R268-L275 PolarHBondContact NH2-O 3.32Å; R268-E277 IonicContact CZ-OE1 3.2Å; R268-E277 IonicContact NH1-OE1 3.41Å; R268-E277 PolarHBondContact NH1-OE1 3.42Å; R268-E277 IonicContact NH2-OE1 2.78Å; R268-E277 PolarHBondContact NH2-OE1 2.63Å |
| 269 | D | 57.3 | Low | 69.2 | Low | 144 Ų | 144 | 83.4 Ų | 83.4 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4 | 175.3 | -58.6 | -34.4 | 0 | 0 | 0 | 113.3 | K267 | K267-D269 PolarHBondContact O-N 2.89Š|
| 270 | I | 57.7 | Low | 68.9 | Low | 144 Ų | 144 | 84.3 Ų | 84.3 | 74% | 0.738 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -35.2 | -170.6 | -58.9 | 174.8 | 0 | 0 | 0 | 112.8 | S266 K267 R268 | S266-I270 VanDerWaalsContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CD1 3.29Å; S266-I270 WeakPolarHBondContact O-CG1 3.06Å; K267-I270 PolarHBondContact O-N 3.19Å; R268-I270 VanDerWaalsContact C-N 3.3Å |
| 271 | S | 49.5 | Very low | 68.2 | Low | 40 Ų | 40 | 86.2 Ų | 86.2 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | trans | -114.6 | 136.1 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | K267 E273 | K267-S271 PolarHBondContact O-N 2.6Å; K267-S271 PolarHBondContact O-OG 3.14Å; S271-E273 PolarHBondContact O-N 2.85Å | ||
| 272 | S | 44.3 | Very low | 67.5 | Low | 131 Ų | 131 | 84.7 Ų | 84.7 | 92% | 0.916 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -65.2 | -21.1 | 176.8 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | R274 | S272-R274 PolarHBondContact O-N 3.29Š|
| 273 | E | 51.4 | Low | 67.1 | Low | 147 Ų | 147 | 86.1 Ų | 86.1 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -71.6 | 122.4 | 171 | -65.3 | -171.3 | 125.8 | 0 | 0 | 111.4 | S271 L275 | S271-E273 PolarHBondContact O-N 2.85Å; E273-L275 PolarHBondContact O-N 2.98Å |
| 274 | R | 56 | Low | 66.7 | Low | 235 Ų | 235 | 86.5 Ų | 86.5 | 89% | 0.887 | 45% | 0.452 | S | S | * | . | trans | -69.6 | 98.1 | 171.6 | -75.8 | -175.9 | 172.9 | -175 | -1.5 | 110.1 | S272 | S272-R274 PolarHBondContact O-N 3.29Š| ||
| 275 | L | 62.5 | Low | 66.3 | Low | 20 Ų | 20 | 86.6 Ų | 86.6 | 11% | 0.105 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 138.3 | 164.3 | -78.5 | -176.7 | 0 | 0 | 0 | 110.6 | R264 K267 R268 E273 L1619 | R264-L275 HydrophobicContact CB-CD1 4.36Å; R264-L275 HydrophobicContact CG-CD1 4.37Å; K267-L275 HydrophobicContact CB-CD1 3.57Å; K267-L275 HydrophobicContact CD-CD1 3.79Å; K267-L275 HydrophobicContact CD-CG 4.39Å; K267-L275 HydrophobicContact CG-CD1 4.33Å; R268-L275 PolarHBondContact NE-O 3.18Å; R268-L275 PolarHBondContact NH2-O 3.32Å; E273-L275 PolarHBondContact O-N 2.98Å; L275-L1619 HydrophobicContact CD2-CD2 4.4Å |
| 276 | P | 67.3 | Low | 65.5 | Low | 75 Ų | 75 | 87.8 Ų | 87.8 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 146.9 | 177 | 25.6 | -34.5 | 0 | 0 | 0 | 111 | R264 L1619 | R264-P276 PolarHBondContact NH1-O 3.06Å; P276-L1619 HydrophobicContact CG-CD1 4.4Å; P276-L1619 HydrophobicContact CG-CD2 4.16Å |
| 277 | E | 69.7 | Low | 64.7 | Low | 144 Ų | 144 | 88.7 Ų | 88.7 | 67% | 0.673 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 158.9 | -179.8 | -68.6 | -159.7 | 149.6 | 0 | 0 | 112 | R264 R268 P279 | R264-E277 PolarHBondContact NH1-O 3.38Å; R264-E277 VanDerWaalsContact NH1-O 3.11Å; R268-E277 IonicContact CZ-OE1 3.2Å; R268-E277 IonicContact NH1-OE1 3.41Å; R268-E277 PolarHBondContact NH1-OE1 3.42Å; R268-E277 IonicContact NH2-OE1 2.78Å; R268-E277 PolarHBondContact NH2-OE1 2.63Å; E277-P279 VanDerWaalsContact O-CD 3.27Å; E277-P279 WeakPolarHBondContact O-CD 3.35Å |
| 278 | M | 78 | Confident | 63.9 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | trans | -73 | 113.1 | 179.1 | -172.9 | -171.8 | 82.2 | 0 | 0 | 107.5 | W257 K261 | W257-M278 HydrophobicContact CE3-CE 3.86Å; W257-M278 HydrophobicContact CE3-CG 4.27Å; W257-M278 HydrophobicContact CE3-SD 3.88Å; W257-M278 HydrophobicContact CZ3-CE 4.19Å; W257-M278 HydrophobicContact CZ3-CG 4.18Å; W257-M278 HydrophobicContact CZ3-SD 4.35Å; K261-M278 HydrophobicContact CB-SD 3.58Å; K261-M278 VanDerWaalsContact CB-SD 3.58Å; K261-M278 HydrophobicContact CD-CE 4.12Å; K261-M278 HydrophobicContact CD-SD 4.18Å; K261-M278 HydrophobicContact CG-CE 4.39Å; K261-M278 HydrophobicContact CG-SD 3.83Å | ||
| 279 | P | 75.4 | Confident | 63.3 | Low | 22 Ų | 22 | 97.9 Ų | 97.9 | 14% | 0.143 | 51% | 0.506 | C | S | . | . | trans | -66.5 | 146.4 | -172.3 | 29 | -36.5 | 0 | 0 | 0 | 110.5 | W257 E277 E283 L284 | W257-P279 WeakPolarHBondContact CZ3-O 3.35Å; E277-P279 VanDerWaalsContact O-CD 3.27Å; E277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-E283 WeakPolarHBondContact CA-OE2 3.4Å; P279-E283 HydrophobicContact CB-CB 4.39Å; P279-L284 HydrophobicContact CB-CD2 4.09Å; P279-L284 HydrophobicContact CB-CG 4.02Å; P279-L284 HydrophobicContact CG-CD1 3.91Å; P279-L284 HydrophobicContact CG-CD2 3.84Å; P279-L284 HydrophobicContact CG-CG 3.86Å | ||
| 280 | T | 75.2 | Confident | 62.6 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | trans | -75.3 | 164 | 179.1 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | D282 E283 L284 | T280-D282 PolarHBondContact O-N 3.19Å; T280-E283 VanDerWaalsContact CB-OE1 3.31Å; T280-E283 WeakPolarHBondContact CB-OE1 3.48Å; T280-E283 WeakPolarHBondContact CG2-OE1 3.27Å; T280-E283 VanDerWaalsContact N-CD 3.32Å; T280-E283 PolarHBondContact N-OE2 3.03Å; T280-E283 PolarHBondContact O-N 3.14Å; T280-E283 VanDerWaalsContact O-N 3.12Å; T280-E283 WeakPolarHBondContact OG1-CG 3.22Å; T280-E283 PolarHBondContact OG1-N 2.87Å; T280-E283 PolarHBondContact OG1-OE1 3.19Å; T280-L284 PolarHBondContact O-N 2.61Å | ||
| 281 | S | 69.2 | Low | 62.1 | Low | 43 Ų | 43 | 90 Ų | 90 | 30% | 0.301 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -24.9 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 113.6 | L285 T1608 | S281-L285 PolarHBondContact O-N 3.45Å; S281-T1608 WeakPolarHBondContact OG-CG2 3.4Å; S281-T1608 PolarHBondContact OG-OG1 2.88Å |
| 282 | D | 70.4 | Confident | 62.2 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -96.1 | -9.2 | 178.7 | -60.7 | -60 | 0 | 0 | 0 | 113 | T280 L285 P286 K1604 | T280-D282 PolarHBondContact O-N 3.19Å; D282-L285 CarbonylContact O-C 3.6Å; D282-P286 WeakPolarHBondContact O-CA 3.44Å; D282-K1604 IonicContact OD1-NZ 2.66Å; D282-K1604 PolarHBondContact OD1-NZ 2.95Å |
| 283 | E | 69.5 | Low | 63 | Low | 120 Ų | 120 | 90.9 Ų | 90.9 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -79.9 | -43.7 | 165.6 | -77.8 | 147.6 | -131.8 | 0 | 0 | 111.4 | P279 T280 L285 | P279-E283 WeakPolarHBondContact CA-OE2 3.4Å; P279-E283 HydrophobicContact CB-CB 4.39Å; T280-E283 VanDerWaalsContact CB-OE1 3.31Å; T280-E283 WeakPolarHBondContact CB-OE1 3.48Å; T280-E283 WeakPolarHBondContact CG2-OE1 3.27Å; T280-E283 VanDerWaalsContact N-CD 3.32Å; T280-E283 PolarHBondContact N-OE2 3.03Å; T280-E283 PolarHBondContact O-N 3.14Å; T280-E283 VanDerWaalsContact O-N 3.12Å; T280-E283 WeakPolarHBondContact OG1-CG 3.22Å; T280-E283 PolarHBondContact OG1-N 2.87Å; T280-E283 PolarHBondContact OG1-OE1 3.19Å; E283-L285 VanDerWaalsContact C-N 3.35Å |
| 284 | L | 75.6 | Confident | 63.6 | Low | 33 Ų | 33 | 90.2 Ų | 90.2 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -72.7 | -28.1 | 178 | -68.6 | -177.5 | 0 | 0 | 0 | 113 | W257 P279 T280 T1608 L1611 M1612 | W257-L284 HydrophobicContact CH2-CD1 3.93Å; P279-L284 HydrophobicContact CB-CD2 4.09Å; P279-L284 HydrophobicContact CB-CG 4.02Å; P279-L284 HydrophobicContact CG-CD1 3.91Å; P279-L284 HydrophobicContact CG-CD2 3.84Å; P279-L284 HydrophobicContact CG-CG 3.86Å; T280-L284 PolarHBondContact O-N 2.61Å; L284-T1608 HydrophobicContact CB-CG2 4.02Å; L284-T1608 HydrophobicContact CD1-CG2 4.09Å; L284-L1611 HydrophobicContact CB-CB 4.38Å; L284-L1611 HydrophobicContact CB-CD1 4.2Å; L284-L1611 HydrophobicContact CD1-CB 4.01Å; L284-L1611 HydrophobicContact CD2-CB 4.37Å; L284-L1611 WeakPolarHBondContact O-CD1 3.36Å; L284-M1612 HydrophobicContact CD1-CB 3.88Å |
| 285 | L | 74 | Confident | 64.4 | Low | 16 Ų | 16 | 83 Ų | 83 | 8% | 0.084 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -137 | 80 | 176.4 | -88.7 | 168.7 | 0 | 0 | 0 | 109.5 | S281 D282 E283 T287 K1604 I1607 T1608 L1611 P1737 | S281-L285 PolarHBondContact O-N 3.45Å; D282-L285 CarbonylContact O-C 3.6Å; E283-L285 VanDerWaalsContact C-N 3.35Å; L285-T287 PolarHBondContact O-N 3.13Å; L285-K1604 HydrophobicContact CD1-CG 4.26Å; L285-I1607 HydrophobicContact CD1-CB 3.89Å; L285-I1607 HydrophobicContact CD1-CG2 3.77Å; L285-T1608 WeakPolarHBondContact CD1-OG1 3.23Å; L285-L1611 HydrophobicContact CG-CD1 4.17Å; L285-P1737 HydrophobicContact CD2-CB 3.36Å; L285-P1737 HydrophobicContact CD2-CG 4.18Å |
| 286 | P | 62.5 | Low | 64.9 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | trans | -58.8 | 130.9 | 178.8 | 21.6 | -31.3 | 0 | 0 | 0 | 111.4 | D282 V1736 | D282-P286 WeakPolarHBondContact O-CA 3.44Å; P286-V1736 HydrophobicContact CG-CG1 4.27Å; P286-V1736 WeakPolarHBondContact O-CG1 3.38Å | ||
| 287 | T | 57.7 | Low | 65.4 | Low | 80 Ų | 80 | 85.5 Ų | 85.5 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | trans | -112.1 | 14.2 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | L285 | L285-T287 PolarHBondContact O-N 3.13Š| ||
| 288 | K | 54 | Low | 65.8 | Low | 189 Ų | 189 | 80.8 Ų | 80.8 | 82% | 0.822 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -77.9 | 133.3 | 171 | -70.6 | -173.8 | 177 | -179.4 | 0 | 109.1 | ||
| 289 | Q | 51.9 | Low | 65.9 | Low | 192 Ų | 192 | 78.8 Ų | 78.8 | 90% | 0.897 | 45% | 0.452 | S | S | * | . | trans | -67 | 134.7 | -178.8 | -67.9 | 169.9 | -68.8 | 0 | 0 | 111.3 | ||||
| 290 | S | 43 | Very low | 66.3 | Low | 54 Ų | 54 | 81.8 Ų | 81.8 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | trans | -104.9 | 115.3 | 167.4 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | G | 47.3 | Very low | 66.8 | Low | 69 Ų | 69 | 83.6 Ų | 83.6 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 72.4 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 292 | V | 52.2 | Low | 67.7 | Low | 136 Ų | 136 | 84.4 Ų | 84.4 | 82% | 0.824 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 127.5 | 150 | 176.1 | 0 | 0 | 0 | 0 | 105.3 | ||
| 293 | V | 60.7 | Low | 68.4 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 124.4 | 173 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | L295 P1735 | V293-L295 PolarHBondContact O-N 3.08Å; V293-P1735 HydrophobicContact CG2-CB 4.27Å; V293-P1735 HydrophobicContact CG2-CG 4.42Å |
| 294 | D | 64.1 | Low | 69.2 | Low | 133 Ų | 133 | 80.5 Ų | 80.5 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 128.4 | 176.6 | -69.9 | -40.1 | 0 | 0 | 0 | 110.3 | ||
| 295 | L | 71.2 | Confident | 69.7 | Low | 83 Ų | 83 | 81.6 Ų | 81.6 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 135.4 | 178.1 | -69.6 | 158.9 | 0 | 0 | 0 | 109.3 | V293 E299 M300 L303 | V293-L295 PolarHBondContact O-N 3.08Å; L295-E299 HydrophobicContact CB-CB 4.31Å; L295-E299 HydrophobicContact CD2-CB 4.04Å; L295-M300 HydrophobicContact CB-CG 3.6Å; L295-M300 HydrophobicContact CD1-CG 4.35Å; L295-L303 HydrophobicContact CD1-CD1 3.53Å; L295-L303 HydrophobicContact CD2-CD1 3.77Å; L295-L303 HydrophobicContact CG-CD1 4.25Å |
| 296 | S | 73.7 | Confident | 70.3 | Confident | 25 Ų | 25 | 81 Ų | 81 | 18% | 0.175 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 161.3 | 174.4 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | S298 E299 M300 E1671 | S296-S298 PolarHBondContact O-N 3.16Å; S296-S298 VanDerWaalsContact O-N 3.14Å; S296-S298 PolarHBondContact OG-OG 3.39Å; S296-E299 PolarHBondContact O-N 3.45Å; S296-M300 PolarHBondContact O-N 3.22Å; S296-E1671 WeakPolarHBondContact CB-OE1 3.33Å; S296-E1671 PolarHBondContact OG-OE1 3.44Å |
| 297 | T | 77.9 | Confident | 71.4 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 76% | 0.755 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.6 | -29.9 | -179.3 | -3 | 0 | 0 | 0 | 0 | 112.8 | H301 | T297-H301 WeakPolarHBondContact O-CB 3.45Å; T297-H301 PolarHBondContact O-N 3.31Å; T297-H301 VanDerWaalsContact O-N 3.15Å |
| 298 | S | 78 | Confident | 72.7 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.4 | -44.5 | 174.3 | 60.8 | 0 | 0 | 0 | 0 | 112 | S296 H301 Y302 | S296-S298 PolarHBondContact O-N 3.16Å; S296-S298 VanDerWaalsContact O-N 3.14Å; S296-S298 PolarHBondContact OG-OG 3.39Å; S298-H301 WeakPolarHBondContact O-CB 3.45Å; S298-H301 PolarHBondContact O-N 2.89Å; S298-Y302 WeakPolarHBondContact O-CD2 3.4Å; S298-Y302 PolarHBondContact O-N 3.11Å |
| 299 | E | 81.3 | Confident | 74.1 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.065 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.3 | -70.3 | -173.3 | 130.9 | 0 | 0 | 111.9 | L295 S296 H301 Y302 L303 K1668 | L295-E299 HydrophobicContact CB-CB 4.31Å; L295-E299 HydrophobicContact CD2-CB 4.04Å; S296-E299 PolarHBondContact O-N 3.45Å; E299-H301 VanDerWaalsContact C-N 3.33Å; E299-H301 PolarHBondContact O-N 3.16Å; E299-Y302 PolarHBondContact O-N 3.44Å; E299-L303 VanDerWaalsContact O-CB 3.29Å; E299-L303 WeakPolarHBondContact O-CB 3.44Å; E299-L303 WeakPolarHBondContact O-CG 3.24Å; E299-L303 PolarHBondContact O-N 3.26Å; E299-K1668 VanDerWaalsContact OE1-CE 3.29Å; E299-K1668 WeakPolarHBondContact OE1-CE 3.34Å; E299-K1668 IonicContact OE1-NZ 3.38Å; E299-K1668 PolarHBondContact OE1-NZ 2.82Å; E299-K1668 IonicContact OE2-NZ 3.84Å; E299-K1668 PolarHBondContact OE2-NZ 3.25Å |
| 300 | M | 82.6 | Confident | 75.6 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 42% | 0.419 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.3 | -71.2 | -151.5 | -71.6 | 0 | 0 | 112.3 | L295 S296 T304 | L295-M300 HydrophobicContact CB-CG 3.6Å; L295-M300 HydrophobicContact CD1-CG 4.35Å; S296-M300 PolarHBondContact O-N 3.22Å; M300-T304 WeakPolarHBondContact O-CB 3.45Å; M300-T304 PolarHBondContact O-N 3.08Å; M300-T304 PolarHBondContact O-OG1 3.46Å |
| 301 | H | 86.7 | Confident | 77.3 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.9 | -177.2 | 72.7 | 0 | 0 | 0 | 111.7 | T297 S298 E299 T304 Q305 | T297-H301 WeakPolarHBondContact O-CB 3.45Å; T297-H301 PolarHBondContact O-N 3.31Å; T297-H301 VanDerWaalsContact O-N 3.15Å; S298-H301 WeakPolarHBondContact O-CB 3.45Å; S298-H301 PolarHBondContact O-N 2.89Å; E299-H301 VanDerWaalsContact C-N 3.33Å; E299-H301 PolarHBondContact O-N 3.16Å; H301-T304 WeakPolarHBondContact O-CB 3.26Å; H301-T304 PolarHBondContact O-N 3.28Å; H301-Q305 PolarHBondContact CD2-NE2 3.28Å; H301-Q305 PolarHBondContact NE2-NE2 3.03Å; H301-Q305 PolarHBondContact O-N 2.96Å; H301-Q305 VanDerWaalsContact O-N 3.09Å |
| 302 | Y | 87.5 | Confident | 78.2 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 178.3 | -65.3 | -55.1 | 0 | 0 | 0 | 113.3 | S298 E299 T304 Q305 W306 L1548 I1582 | S298-Y302 WeakPolarHBondContact O-CD2 3.4Å; S298-Y302 PolarHBondContact O-N 3.11Å; E299-Y302 PolarHBondContact O-N 3.44Å; Y302-T304 VanDerWaalsContact C-N 3.31Å; Y302-Q305 PolarHBondContact O-N 2.67Å; Y302-W306 WeakPolarHBondContact O-CB 3.26Å; Y302-W306 PolarHBondContact O-N 2.92Å; Y302-L1548 HydrophobicContact CD1-CD2 3.92Å; Y302-L1548 HydrophobicContact CG-CD2 4.41Å; Y302-I1582 HydrophobicContact CD2-CG2 4.46Å; Y302-I1582 HydrophobicContact CG-CG2 4.31Å |
| 303 | L | 84.7 | Confident | 78.6 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 172.8 | -79.9 | 165.1 | 0 | 0 | 0 | 111.5 | L295 E299 W306 T307 I1582 | L295-L303 HydrophobicContact CD1-CD1 3.53Å; L295-L303 HydrophobicContact CD2-CD1 3.77Å; L295-L303 HydrophobicContact CG-CD1 4.25Å; E299-L303 VanDerWaalsContact O-CB 3.29Å; E299-L303 WeakPolarHBondContact O-CB 3.44Å; E299-L303 WeakPolarHBondContact O-CG 3.24Å; E299-L303 PolarHBondContact O-N 3.26Å; L303-W306 PolarHBondContact O-N 3.26Å; L303-T307 PolarHBondContact O-N 2.82Å; L303-T307 PolarHBondContact O-OG1 3.34Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å; L303-I1582 HydrophobicContact CD2-CD1 3.99Å; L303-I1582 HydrophobicContact CD2-CG1 4.34Å; L303-I1582 HydrophobicContact CG-CD1 4.17Å |
| 304 | T | 86 | Confident | 78.2 | Confident | 75 Ų | 75 | 66 Ų | 66 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | M300 H301 Y302 W306 T307 N308 | M300-T304 WeakPolarHBondContact O-CB 3.45Å; M300-T304 PolarHBondContact O-N 3.08Å; M300-T304 PolarHBondContact O-OG1 3.46Å; H301-T304 WeakPolarHBondContact O-CB 3.26Å; H301-T304 PolarHBondContact O-N 3.28Å; Y302-T304 VanDerWaalsContact C-N 3.31Å; T304-W306 PolarHBondContact O-N 2.81Å; T304-T307 WeakPolarHBondContact CA-OG1 3.23Å; T304-T307 PolarHBondContact O-N 3.05Å; T304-T307 PolarHBondContact O-OG1 2.91Å; T304-N308 PolarHBondContact O-N 3.24Å; T304-N308 PolarHBondContact O-OD1 2.79Å |
| 305 | Q | 86.1 | Confident | 77.1 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 173.4 | -69.5 | -175.9 | 19.8 | 0 | 0 | 112.4 | H301 Y302 N308 L309 L1548 | H301-Q305 PolarHBondContact CD2-NE2 3.28Å; H301-Q305 PolarHBondContact NE2-NE2 3.03Å; H301-Q305 PolarHBondContact O-N 2.96Å; H301-Q305 VanDerWaalsContact O-N 3.09Å; Y302-Q305 PolarHBondContact O-N 2.67Å; Q305-N308 PolarHBondContact O-N 3.11Å; Q305-L309 PolarHBondContact O-N 3.37Å; Q305-L1548 HydrophobicContact CB-CD2 3.79Å |
| 306 | W | 87.4 | Confident | 75.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.5 | -179 | -101.1 | 0 | 0 | 0 | 112.6 | Y302 L303 T304 N308 L309 L310 L1545 L1548 L1551 I1573 I1576 G1577 V1580 I1582 V1588 | Y302-W306 WeakPolarHBondContact O-CB 3.26Å; Y302-W306 PolarHBondContact O-N 2.92Å; L303-W306 PolarHBondContact O-N 3.26Å; T304-W306 PolarHBondContact O-N 2.81Å; W306-N308 VanDerWaalsContact C-N 3.33Å; W306-N308 PolarHBondContact O-N 3Å; W306-L309 PolarHBondContact O-N 2.75Å; W306-L310 WeakPolarHBondContact O-CG 3.19Å; W306-L310 PolarHBondContact O-N 2.85Å; W306-L1545 HydrophobicContact CH2-CD1 4.34Å; W306-L1548 HydrophobicContact CE3-CD1 3.64Å; W306-L1548 HydrophobicContact CZ3-CD1 4.34Å; W306-L1551 HydrophobicContact CZ3-CD1 3.82Å; W306-I1573 HydrophobicContact CH2-CB 4.38Å; W306-I1573 HydrophobicContact CH2-CG1 4.29Å; W306-I1573 HydrophobicContact CH2-CG2 3.45Å; W306-I1573 VanDerWaalsContact CH2-CG2 3.45Å; W306-I1573 HydrophobicContact CZ2-CG2 3.72Å; W306-I1573 HydrophobicContact CZ3-CG2 3.98Å; W306-I1576 HydrophobicContact CZ2-CG2 4.48Å; W306-G1577 PolarHBondContact NE1-O 2.8Å; W306-V1580 HydrophobicContact CD2-CG2 4.31Å; W306-V1580 HydrophobicContact CG-CG2 4.32Å; W306-V1580 HydrophobicContact CH2-CG1 4.39Å; W306-V1580 HydrophobicContact CZ2-CG1 3.67Å; W306-V1580 HydrophobicContact CZ2-CG2 4.26Å; W306-I1582 HydrophobicContact CB-CD1 3.83Å; W306-I1582 HydrophobicContact CG-CD1 4.25Å; W306-V1588 HydrophobicContact CE3-CG1 4.44Å; W306-V1588 HydrophobicContact CE3-CG2 4.4Å; W306-V1588 HydrophobicContact CH2-CG1 4.16Å; W306-V1588 HydrophobicContact CZ3-CG1 4.14Å; W306-V1588 HydrophobicContact CZ3-CG2 4.39Å |
| 307 | T | 86.3 | Confident | 73.2 | Confident | 40 Ų | 40 | 72 Ų | 72 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -34.4 | 173.9 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | L303 T304 L310 C311 | L303-T307 PolarHBondContact O-N 2.82Å; L303-T307 PolarHBondContact O-OG1 3.34Å; L303-T307 VanDerWaalsContact O-OG1 3.1Å; T304-T307 WeakPolarHBondContact CA-OG1 3.23Å; T304-T307 PolarHBondContact O-N 3.05Å; T304-T307 PolarHBondContact O-OG1 2.91Å; T307-L310 PolarHBondContact O-N 3.23Å; T307-C311 PolarHBondContact O-N 3.3Å; T307-C311 VanDerWaalsContact O-N 3.07Å; T307-C311 PolarHBondContact O-SG 3.3Å |
| 308 | N | 84.8 | Confident | 70.9 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -46 | 175.3 | -66.5 | -3.7 | 0 | 0 | 0 | 111 | T304 Q305 W306 L310 C311 D312 | T304-N308 PolarHBondContact O-N 3.24Å; T304-N308 PolarHBondContact O-OD1 2.79Å; Q305-N308 PolarHBondContact O-N 3.11Å; W306-N308 VanDerWaalsContact C-N 3.33Å; W306-N308 PolarHBondContact O-N 3Å; N308-L310 VanDerWaalsContact C-N 3.28Å; N308-L310 PolarHBondContact O-N 2.85Å; N308-C311 CarbonylContact O-C 3.53Å; N308-C311 WeakPolarHBondContact O-CA 3.29Å; N308-C311 WeakPolarHBondContact O-CB 3.19Å; N308-C311 PolarHBondContact O-N 3.31Å; N308-D312 PolarHBondContact O-N 3.11Å |
| 309 | L | 83.1 | Confident | 68.5 | Low | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 175.3 | 174.8 | 142.5 | 0 | 0 | 0 | 112.8 | Q305 W306 C311 Q313 L1551 L1552 I1573 | Q305-L309 PolarHBondContact O-N 3.37Å; W306-L309 PolarHBondContact O-N 2.75Å; L309-C311 VanDerWaalsContact C-N 3.34Å; L309-Q313 PolarHBondContact O-N 2.59Å; L309-L1551 WeakPolarHBondContact CD1-O 3.21Å; L309-L1552 HydrophobicContact CB-CD2 4.27Å; L309-L1552 HydrophobicContact CD1-CD2 3.87Å; L309-L1552 HydrophobicContact CD1-CG 4.31Å; L309-I1573 HydrophobicContact CD2-CB 4.47Å; L309-I1573 HydrophobicContact CD2-CD1 4.15Å; L309-I1573 HydrophobicContact CD2-CG2 3.49Å; L309-I1573 VanDerWaalsContact CD2-CG2 3.49Å |
| 310 | L | 83.4 | Confident | 65.9 | Low | 22 Ų | 22 | 86.9 Ų | 86.9 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 171.8 | -73 | 170.3 | 0 | 0 | 0 | 112.1 | W306 T307 N308 H314 I1573 R1578 | W306-L310 WeakPolarHBondContact O-CG 3.19Å; W306-L310 PolarHBondContact O-N 2.85Å; T307-L310 PolarHBondContact O-N 3.23Å; N308-L310 VanDerWaalsContact C-N 3.28Å; N308-L310 PolarHBondContact O-N 2.85Å; L310-H314 PolarHBondContact O-CD2 3.15Å; L310-I1573 HydrophobicContact CD2-CG2 3.93Å; L310-R1578 HydrophobicContact CD1-CG 4.5Å |
| 311 | C | 78.1 | Confident | 63.3 | Low | 79 Ų | 79 | 90.3 Ų | 90.3 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 176.4 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | T307 N308 L309 Q313 H314 T315 | T307-C311 PolarHBondContact O-N 3.3Å; T307-C311 VanDerWaalsContact O-N 3.07Å; T307-C311 PolarHBondContact O-SG 3.3Å; N308-C311 CarbonylContact O-C 3.53Å; N308-C311 WeakPolarHBondContact O-CA 3.29Å; N308-C311 WeakPolarHBondContact O-CB 3.19Å; N308-C311 PolarHBondContact O-N 3.31Å; L309-C311 VanDerWaalsContact C-N 3.34Å; C311-Q313 VanDerWaalsContact C-N 3.27Å; C311-Q313 PolarHBondContact O-N 3.38Å; C311-H314 WeakPolarHBondContact O-CA 3.44Å; C311-H314 WeakPolarHBondContact O-CB 3.02Å; C311-H314 PolarHBondContact O-N 2.89Å; C311-T315 PolarHBondContact O-N 3.29Å; C311-T315 PolarHBondContact O-OG1 3.34Å |
| 312 | D | 67.3 | Low | 60.4 | Low | 106 Ų | 106 | 91.6 Ų | 91.6 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -34.4 | -179.7 | -68.6 | -37.1 | 0 | 0 | 0 | 111.9 | N308 H314 T315 S316 | N308-D312 PolarHBondContact O-N 3.11Å; D312-H314 PolarHBondContact O-N 2.87Å; D312-T315 PolarHBondContact O-N 2.99Å; D312-T315 PolarHBondContact O-OG1 3.39Å; D312-S316 PolarHBondContact O-OG 3.39Å |
| 313 | Q | 58.7 | Low | 57.6 | Low | 51 Ų | 51 | 95 Ų | 95 | 24% | 0.238 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -75 | 0 | 170.8 | -71 | -155.5 | -21.1 | 0 | 0 | 114.8 | L309 C311 E1555 K1574 | L309-Q313 PolarHBondContact O-N 2.59Å; C311-Q313 VanDerWaalsContact C-N 3.27Å; C311-Q313 PolarHBondContact O-N 3.38Å; Q313-E1555 PolarHBondContact NE2-OE2 3.34Å; Q313-E1555 VanDerWaalsContact NE2-OE2 3.14Å; Q313-K1574 PolarHBondContact O-NZ 2.62Å |
| 314 | H | 52.9 | Low | 54.7 | Low | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.606 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -91.2 | -29.6 | 166.1 | -93.8 | -97.7 | 0 | 0 | 0 | 112.6 | L310 C311 D312 S316 K1574 | L310-H314 PolarHBondContact O-CD2 3.15Å; C311-H314 WeakPolarHBondContact O-CA 3.44Å; C311-H314 WeakPolarHBondContact O-CB 3.02Å; C311-H314 PolarHBondContact O-N 2.89Å; D312-H314 PolarHBondContact O-N 2.87Å; H314-S316 PolarHBondContact O-N 3.11Å; H314-K1574 WeakPolarHBondContact NE2-CE 3.3Å |
| 315 | T | 41 | Very low | 52 | Low | 115 Ų | 115 | 107 Ų | 107 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.1 | -15.4 | -174.2 | -11.5 | 0 | 0 | 0 | 0 | 114.6 | C311 D312 L317 | C311-T315 PolarHBondContact O-N 3.29Å; C311-T315 PolarHBondContact O-OG1 3.34Å; D312-T315 PolarHBondContact O-N 2.99Å; D312-T315 PolarHBondContact O-OG1 3.39Å; T315-L317 PolarHBondContact O-N 2.9Å |
| 316 | S | 34.2 | Very low | 49.1 | Very low | 100 Ų | 100 | 109.6 Ų | 109.6 | 70% | 0.699 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 11.2 | -167.7 | -47.2 | 0 | 0 | 0 | 0 | 116.6 | D312 H314 | D312-S316 PolarHBondContact O-OG 3.39Å; H314-S316 PolarHBondContact O-N 3.11Å |
| 317 | L | 30.1 | Very low | 46.2 | Very low | 153 Ų | 153 | 116.1 Ų | 116.1 | 80% | 0.801 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 18.4 | -170.2 | -93.4 | 173.9 | 0 | 0 | 0 | 117 | T315 | T315-L317 PolarHBondContact O-N 2.9Š|
| 318 | E | 27.8 | Very low | 43.3 | Very low | 182 Ų | 182 | 119.6 Ų | 119.6 | 85% | 0.85 | 63% | 0.634 | S | S | * | * | trans | -126.2 | 81.3 | 173.6 | -70 | -168.1 | 177.3 | 0 | 0 | 113 | ||||
| 319 | V | 28.3 | Very low | 40.8 | Very low | 142 Ų | 142 | 121 Ų | 121 | 86% | 0.861 | 65% | 0.651 | S | S | * | * | trans | -138.5 | 78.3 | 164.1 | -173.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 320 | E | 26.6 | Very low | 38.3 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -177.3 | 125.2 | 134.4 | -103.4 | 179.7 | -174.9 | 0 | 0 | 112.9 | ||
| 321 | Q | 28.2 | Very low | 35.6 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | 68.5 | 103.1 | 151.4 | -61.3 | 175.3 | 35.1 | 0 | 0 | 121.1 | ||||
| 322 | D | 26.6 | Very low | 33.1 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | 90.2 | 106.9 | 122.6 | -72.6 | 10.2 | 0 | 0 | 0 | 123.9 | |||||
| 323 | I | 27.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | 85.1 | 104.8 | 128.5 | -60.2 | 168.1 | 0 | 0 | 0 | 119.1 | |||||
| 324 | N | 24.3 | Very low | 30 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 44.6 | 116.9 | 143.1 | -58.2 | -13 | 0 | 0 | 0 | 120.5 | ||||
| 325 | Y | 29.9 | Very low | 29 | Very low | 232 Ų | 232 | 144.4 Ų | 144.4 | 91% | 0.91 | 76% | 0.762 | S | S | * | * | -153.9 | 161.3 | 110 | -117.9 | -79.6 | 0 | 0 | 0 | 111.1 | |||||
| 326 | T | 24.2 | Very low | 28.3 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -93 | 139.2 | -177.5 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 327 | D | 27.7 | Very low | 28.1 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | 167.4 | 128.6 | 114.4 | -82.8 | -6.9 | 0 | 0 | 0 | 114.1 | |||||
| 328 | S | 25.3 | Very low | 28.2 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 74 | 157.1 | 147.4 | 75.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 329 | S | 31 | Very low | 28.1 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 65.7 | 104 | 177 | 48.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 330 | D | 30.1 | Very low | 27.9 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | -85 | 137 | 177 | -147.2 | -52.3 | 0 | 0 | 0 | 111.1 | N332 | D330-N332 VanDerWaalsContact C-N 3.32Å; D330-N332 PolarHBondContact O-N 3.22Å; D330-N332 PolarHBondContact OD1-ND2 3.38Å | ||
| 331 | P | 27.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -2.3 | -175.7 | -18.2 | 33.3 | 0 | 0 | 0 | 116.7 | ||
| 332 | N | 26.7 | Very low | 27.8 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -4.1 | -164.3 | -74.6 | -56.1 | 0 | 0 | 0 | 116.5 | D330 Y334 | D330-N332 VanDerWaalsContact C-N 3.32Å; D330-N332 PolarHBondContact O-N 3.22Å; D330-N332 PolarHBondContact OD1-ND2 3.38Å; N332-Y334 VanDerWaalsContact C-N 3.29Å; N332-Y334 PolarHBondContact O-N 2.88Å |
| 333 | E | 27.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 49.9 | -170.6 | -157.4 | 176.6 | -157.5 | 0 | 0 | 114.5 | ||
| 334 | Y | 32.5 | Very low | 27.7 | Very low | 218 Ų | 218 | 144.2 Ų | 144.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.6 | 0.9 | 168.8 | -127.5 | -83.6 | 0 | 0 | 0 | 116.2 | N332 | N332-Y334 VanDerWaalsContact C-N 3.29Å; N332-Y334 PolarHBondContact O-N 2.88Å |
| 335 | I | 31.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -18.2 | 177.4 | -67.2 | 176 | 0 | 0 | 0 | 111.8 | ||
| 336 | S | 26.8 | Very low | 27.8 | Very low | 66 Ų | 66 | 140.5 Ų | 140.5 | 46% | 0.462 | 76% | 0.756 | S | S | . | * | G | 310 helix | trans | -71.9 | -28.3 | -179.9 | 39.9 | 0 | 0 | 0 | 0 | 115 | W338 | S336-W338 PolarHBondContact O-N 3.33Š|
| 337 | N | 29.4 | Very low | 28.1 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -91.7 | 18.5 | -171.5 | -73.4 | -17.5 | 0 | 0 | 0 | 115.2 | ||
| 338 | W | 33.2 | Very low | 28.3 | Very low | 226 Ų | 226 | 141.8 Ų | 141.8 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -134.1 | 11.3 | 176.7 | -120.2 | 66.1 | 0 | 0 | 0 | 114.3 | S336 | S336-W338 PolarHBondContact O-N 3.33Š|
| 339 | L | 25.2 | Very low | 28.5 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -129.3 | 5.8 | 179.9 | -100.9 | 164 | 0 | 0 | 0 | 114.4 | S341 | L339-S341 PolarHBondContact O-N 3.22Š|
| 340 | E | 24.9 | Very low | 28.3 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -95 | 62.9 | 169 | -69.7 | -161.9 | 153.4 | 0 | 0 | 112 | ||||
| 341 | S | 25.3 | Very low | 28.7 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -147.8 | 123.6 | 157.6 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | L339 | L339-S341 PolarHBondContact O-N 3.22Š|
| 342 | S | 25.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 95.4 | 119.1 | -179.4 | -47.6 | 0 | 0 | 0 | 0 | 117.1 | ||
| 343 | Q | 26.6 | Very low | 29.2 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | 78.9 | 90.9 | 151.1 | -63.7 | 177.8 | -18.9 | 0 | 0 | 120.4 | ||||
| 344 | T | 27.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | -129.7 | 163.9 | 102.3 | 57.2 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 345 | D | 28.6 | Very low | 29.4 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | cis | -125.8 | 156.2 | 6.3 | -60.1 | -70.4 | 0 | 0 | 0 | 111.4 | ||||
| 346 | D | 27.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -111.2 | 126.6 | 156.9 | -88 | -46.7 | 0 | 0 | 0 | 107.4 | ||||
| 347 | D | 29.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | 171.5 | 140.7 | 121 | -118 | -17.7 | 0 | 0 | 0 | 115.5 | |||||
| 348 | N | 31 | Very low | 29.8 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 76.5 | 139.1 | 155 | -70.4 | -69.2 | 0 | 0 | 0 | 123.8 | ||||
| 349 | F | 30.6 | Very low | 29.5 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | 82 | 96.2 | 163.5 | -94.8 | -86.2 | 0 | 0 | 0 | 121.6 | ||||
| 350 | D | 27 | Very low | 29.7 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -100.7 | 168.2 | 158.4 | -174.8 | 55 | 0 | 0 | 0 | 108.2 | ||||
| 351 | P | 38.2 | Very low | 30 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | cis | -118.2 | -174.1 | -27.8 | 24.2 | -1.5 | 0 | 0 | 0 | 111.6 | ||||
| 352 | D | 29.9 | Very low | 30 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | 167.3 | 133.9 | 117.8 | -92.7 | -14.6 | 0 | 0 | 0 | 115.5 | |||||
| 353 | Y | 35.3 | Very low | 30.1 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 74% | 0.737 | 73% | 0.727 | S | S | * | * | trans | 72.6 | 113.9 | 144.6 | -81.5 | -109.8 | 0 | 0 | 0 | 123.8 | ||||
| 354 | D | 31.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | 70 | 116 | 126.3 | -59.3 | 14.2 | 0 | 0 | 0 | 123.6 | |||||
| 355 | D | 32.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | 69.9 | 127.4 | 120.3 | -56.5 | -1.2 | 0 | 0 | 0 | 124.1 | |||||
| 356 | D | 32.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | 63 | 110.6 | 133.3 | -58.7 | 1.6 | 0 | 0 | 0 | 122.7 | ||||
| 357 | D | 31.6 | Very low | 30.6 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | 61.4 | 132.8 | 120.7 | -60.6 | -4.1 | 0 | 0 | 0 | 123.2 | |||||
| 358 | D | 30.9 | Very low | 30.5 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | 64.8 | 141.5 | 132.1 | -71.1 | 6.3 | 0 | 0 | 0 | 122 | ||||
| 359 | D | 27.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | cis | -165.5 | 177.6 | -12.7 | -166.6 | 3.2 | 0 | 0 | 0 | 108.2 | ||||
| 360 | D | 28.8 | Very low | 29.9 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 51% | 0.513 | 71% | 0.711 | S | S | . | * | trans | 71.4 | 157 | 147.3 | -94.8 | -52.5 | 0 | 0 | 0 | 118.8 | ||||
| 361 | K | 31.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | cis | -153.3 | 134.3 | 18.2 | -146.2 | 142.2 | -165 | 84.9 | 0 | 114.4 | ||||
| 362 | L | 24.9 | Very low | 29.2 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | 39.5 | 131.6 | 143.7 | -64.4 | 174.9 | 0 | 0 | 0 | 123.1 | ||||
| 363 | G | 28.2 | Very low | 29.2 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -143.5 | 90.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 364 | I | 33.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 73.1 | 82.3 | 156 | -47.5 | -177.9 | 0 | 0 | 0 | 118.7 | ||||
| 365 | I | 30.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | 62.4 | 100.2 | 117.4 | -58.7 | 161.8 | 0 | 0 | 0 | 119.9 | |||||
| 366 | N | 26.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | 39.3 | 123.5 | 121.8 | -42 | 1.2 | 0 | 0 | 0 | 120.5 | |||||
| 367 | K | 30.7 | Very low | 28 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | -174.9 | 127 | 89.9 | -88.7 | -155.1 | 171.2 | -161 | 0 | 110.6 | |||||
| 368 | E | 26.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | 66.3 | 112 | 73.9 | -66 | -179.9 | 147.7 | 0 | 0 | 113.7 | |||||
| 369 | G | 27.3 | Very low | 27.4 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | 169.4 | 94.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | S | 23.2 | Very low | 27.2 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -127.8 | 166.5 | -162.5 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 371 | F | 22.9 | Very low | 27.2 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | 77 | 159.1 | 171.4 | -74.5 | -80.4 | 0 | 0 | 0 | 118.4 | ||||
| 372 | D | 27.4 | Very low | 26.9 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | 65.3 | 145.4 | -178.2 | -52.1 | -18 | 0 | 0 | 0 | 114.9 | ||||
| 373 | E | 29.3 | Very low | 27.1 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | cis | -161.7 | 154.5 | -16.4 | -107.6 | -142.8 | 115.2 | 0 | 0 | 107 | ||||
| 374 | V | 27.4 | Very low | 27 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 60% | 0.6 | 69% | 0.688 | S | S | * | * | cis | -167 | 160.9 | -16.1 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 375 | N | 25.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | trans | 60.7 | 126 | 158.4 | -72 | -23 | 0 | 0 | 0 | 124 | ||||
| 376 | N | 27.5 | Very low | 26.6 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | 37.8 | 116.3 | 122.3 | -56.6 | -12.6 | 0 | 0 | 0 | 121.5 | |||||
| 377 | T | 25.3 | Very low | 26.6 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | trans | 45.5 | 95.8 | 134.1 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 378 | R | 26.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | 77 | 135.7 | 129 | -45.5 | -171.3 | 85.3 | 162.3 | 4 | 119.6 | D435 A436 | R378-D435 VanDerWaalsContact CA-OD2 3.24Å; R378-D435 WeakPolarHBondContact CA-OD2 3.49Å; R378-D435 HydrophobicContact CB-CB 4.02Å; R378-D435 WeakPolarHBondContact CB-OD2 3.48Å; R378-D435 WeakPolarHBondContact CG-OD2 3.47Å; R378-D435 IonicContact CZ-OD1 3.21Å; R378-D435 IonicContact NE-OD1 3.1Å; R378-D435 PolarHBondContact NE-OD1 3.17Å; R378-D435 IonicContact NE-OD2 3.08Å; R378-D435 PolarHBondContact NE-OD2 3.01Å; R378-D435 IonicContact NH2-OD1 2.74Å; R378-D435 PolarHBondContact NH2-OD1 3.2Å; R378-A436 CarbonylContact C-O 3.52Å; R378-A436 HydrophobicContact CB-CB 4.07Å; R378-A436 VanDerWaalsContact CB-O 3.31Å; R378-A436 WeakPolarHBondContact CB-O 3.41Å | |||
| 379 | L | 23.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 54% | 0.539 | 68% | 0.678 | S | S | . | * | trans | -168.2 | 137.9 | 145.1 | -116.2 | 178 | 0 | 0 | 0 | 113.9 | F434 A436 W437 | L379-F434 WeakPolarHBondContact O-CB 3.33Å; L379-A436 WeakPolarHBondContact CA-O 3.12Å; L379-W437 HydrophobicContact CD1-CB 4.41Å; L379-W437 HydrophobicContact CD2-CB 3.87Å; L379-W437 HydrophobicContact CG-CB 3.91Å; L379-W437 HydrophobicContact CG-CG 4.37Å | ||
| 380 | S | 23.9 | Very low | 26.5 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 45% | 0.448 | 68% | 0.675 | S | S | . | * | trans | -73.4 | 163.4 | 161.2 | 33.5 | 0 | 0 | 0 | 0 | 110.7 | F434 D435 | S380-F434 WeakPolarHBondContact CB-O 3.38Å; S380-D435 WeakPolarHBondContact CB-O 3.35Å; S380-D435 VanDerWaalsContact N-C 3.34Å; S380-D435 VanDerWaalsContact N-N 3.13Å; S380-D435 PolarHBondContact N-O 3.37Å; S380-D435 PolarHBondContact OG-O 2.83Å | ||
| 381 | A | 29 | Very low | 26.7 | Very low | 54 Ų | 54 | 127.4 Ų | 127.4 | 45% | 0.446 | 67% | 0.673 | S | S | . | * | cis | -171.1 | 174.4 | -21.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 382 | T | 26.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | 63.4 | 162 | 174.7 | 35.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 383 | V | 28.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 126 Ų | 126 | 66% | 0.661 | 67% | 0.665 | S | S | * | * | cis | -145 | 125.1 | 34.7 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 384 | Q | 26.4 | Very low | 27.7 | Very low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | 61.6 | 157 | 159.4 | -67.7 | 170.2 | 0.1 | 0 | 0 | 116.2 | ||||
| 385 | H | 28.3 | Very low | 28.1 | Very low | 158 Ų | 158 | 123 Ų | 123 | 73% | 0.731 | 66% | 0.664 | S | S | * | * | cis | -164.6 | 169.7 | -4.1 | -117.4 | -26.2 | 0 | 0 | 0 | 106.9 | ||||
| 386 | T | 26 | Very low | 28.1 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | cis | -147.1 | 153.6 | 8.4 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 387 | Q | 28.4 | Very low | 28 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | 61.5 | 132.8 | 138 | -75.1 | 176.9 | -91.2 | 0 | 0 | 121 | ||||
| 388 | E | 27.7 | Very low | 28 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | cis | -142.5 | 107.4 | 3.1 | -55.5 | -167.7 | 140 | 0 | 0 | 108.4 | ||||
| 389 | S | 26.2 | Very low | 28 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | 62.6 | 135.1 | 89.4 | 70.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 390 | I | 26.9 | Very low | 28.1 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | cis | -160.1 | 155.3 | -4.7 | -102.4 | 159.5 | 0 | 0 | 0 | 106.3 | ||||
| 391 | D | 29.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | trans | -122.2 | 153.9 | 165.9 | -166.7 | 18.6 | 0 | 0 | 0 | 112.1 | ||||
| 392 | L | 30.2 | Very low | 28.2 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 175.3 | 133.5 | 149.3 | -99.4 | 168.8 | 0 | 0 | 0 | 109.8 | ||||
| 393 | K | 31.1 | Very low | 28.6 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -121.3 | 150.4 | 179.4 | -85.7 | 170.4 | -174.1 | 158.1 | 0 | 108.1 | ||||
| 394 | S | 39.4 | Very low | 28.5 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | cis | -161.3 | -169.6 | 12.7 | 59.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 395 | P | 34.5 | Very low | 28.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | cis | -143.8 | 137 | 8.7 | 37.4 | -14.3 | 0 | 0 | 0 | 119.8 | ||||
| 396 | I | 26.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | 77.4 | 144.2 | 124.4 | -65.1 | 172.3 | 0 | 0 | 0 | 120.9 | |||||
| 397 | N | 25.1 | Very low | 28.3 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 81.2 | 141.6 | 161.5 | -80.5 | -19.2 | 0 | 0 | 0 | 119.6 | ||||
| 398 | S | 25.3 | Very low | 28.2 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | cis | -164.1 | 161.9 | -8.4 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 399 | T | 25.4 | Very low | 28.1 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -138.4 | 120.4 | 158.1 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 400 | L | 26.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -5.6 | 133.2 | 167.5 | -62.3 | 103.6 | 0 | 0 | 0 | 119.7 | ||||
| 401 | L | 25 | Very low | 28.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | cis | 85.8 | 116.3 | 46.3 | -71.1 | 166.2 | 0 | 0 | 0 | 115.6 | ||||
| 402 | Q | 29.8 | Very low | 28 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | 54.5 | 158.8 | 129.6 | -57.3 | -178.9 | -3.8 | 0 | 0 | 120.7 | |||||
| 403 | P | 34.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | -145.9 | -172.7 | 87.2 | 37 | -16.5 | 0 | 0 | 0 | 112.1 | |||||
| 404 | V | 25.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | cis | -144.7 | 164.9 | 0.7 | -130.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 405 | V | 26.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | -159.3 | 117.7 | 57.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 406 | K | 26.9 | Very low | 26.2 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | trans | 36.5 | 149 | 132.2 | -49 | 178.7 | -175.1 | 171.8 | 0 | 122.1 | ||||
| 407 | T | 23.7 | Very low | 26.3 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | cis | 179 | 165.4 | -22.4 | 42.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 408 | K | 27.3 | Very low | 26.3 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | trans | 79.7 | 140.1 | 164.8 | -61.4 | -179.7 | -175.5 | -178 | 0 | 114.3 | ||||
| 409 | S | 25.5 | Very low | 26.2 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | cis | -166 | 156 | -1.5 | 36.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 410 | V | 27.9 | Very low | 26.3 | Very low | 132 Ų | 132 | 124 Ų | 124 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | 44.1 | 118.9 | 135.8 | 179.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 411 | S | 26.6 | Very low | 26.1 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | -161.7 | 145.7 | 14.3 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 412 | S | 25 | Very low | 26 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | 64.2 | 140.6 | 46.5 | 78.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 413 | F | 25.2 | Very low | 25.8 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 75% | 0.746 | 75% | 0.746 | S | S | * | * | cis | -146.4 | 145.1 | -8.3 | -107 | -169.6 | 0 | 0 | 0 | 105 | T415 | F413-T415 HydrophobicContact CD1-CG2 4.42Š| ||
| 414 | T | 23.9 | Very low | 25.4 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | 59.9 | 171.4 | 57.6 | 78.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 415 | T | 23.8 | Very low | 25.2 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | 69.1 | 155.5 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 115.2 | F413 | F413-T415 HydrophobicContact CD1-CG2 4.42Š| ||
| 416 | I | 24.6 | Very low | 25.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -119.3 | 156.4 | 6 | -77.4 | 86.1 | 0 | 0 | 0 | 107.1 | ||||
| 417 | S | 27.7 | Very low | 25 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -142.5 | 156.6 | 22.6 | 43.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 418 | S | 25.1 | Very low | 25 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | 70.1 | 141.6 | 38.6 | 78.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 419 | A | 24.9 | Very low | 24.7 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | cis | -166.9 | 176.8 | -15.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 420 | G | 26.8 | Very low | 24.7 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 98.3 | 127 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 421 | L | 21.7 | Very low | 24.5 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | cis | 76.9 | 79.2 | 7.9 | -152.9 | 160.7 | 0 | 0 | 0 | 115.9 | ||||
| 422 | E | 24.5 | Very low | 24.4 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -164.2 | 136.7 | 146.8 | -111.8 | 160 | -166.4 | 0 | 0 | 111.6 | ||||
| 423 | D | 24.4 | Very low | 24.3 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 59.6 | 152.1 | 162 | -72.1 | -9.7 | 0 | 0 | 0 | 125.9 | ||||
| 424 | L | 26.6 | Very low | 24.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 68.9 | 61.2 | 171.4 | -58 | -175.7 | 0 | 0 | 0 | 119.5 | R426 | L424-R426 HydrophobicContact CD2-CB 3.63Š| ||
| 425 | C | 21.8 | Very low | 24.1 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 94% | 0.939 | 75% | 0.753 | S | S | * | * | -85.9 | 85.2 | 114.2 | -74.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 426 | R | 23.6 | Very low | 24 | Very low | 205 Ų | 205 | 130.2 Ų | 130.2 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | -155.9 | 29.5 | 173.3 | -127.8 | 178.6 | -167.5 | -175.2 | 3.8 | 116.7 | L424 | L424-R426 HydrophobicContact CD2-CB 3.63Š| ||
| 427 | L | 25.1 | Very low | 23.9 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -159.6 | 136.7 | 157.3 | -131.4 | 73 | 0 | 0 | 0 | 106.6 | ||||
| 428 | A | 22.7 | Very low | 23.9 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -131.7 | 144.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 429 | N | 22.3 | Very low | 23.7 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 172.9 | 67.2 | 140.4 | -91.2 | 5 | 0 | 0 | 0 | 108.5 | ||
| 430 | A | 24 | Very low | 23.6 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -162.2 | 56.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 431 | I | 24.5 | Very low | 23.5 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -164.2 | 121.7 | 142.3 | -97.6 | 153.3 | 0 | 0 | 0 | 105.3 | ||||
| 432 | E | 23.2 | Very low | 23.6 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -103.9 | 165.2 | 173.7 | -71.5 | 176.6 | 115.2 | 0 | 0 | 110.2 | ||||
| 433 | E | 23.7 | Very low | 23.7 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | trans | 70.8 | 141.4 | 160.7 | -70.1 | -166.8 | 143.8 | 0 | 0 | 120.6 | ||||
| 434 | F | 23.3 | Very low | 24 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | 62.5 | 154.6 | -175 | -56.7 | -90.7 | 0 | 0 | 0 | 115.1 | L379 S380 | L379-F434 WeakPolarHBondContact O-CB 3.33Å; S380-F434 WeakPolarHBondContact CB-O 3.38Å | ||
| 435 | D | 20.8 | Very low | 23.9 | Very low | 53 Ų | 53 | 126.3 Ų | 126.3 | 28% | 0.283 | 68% | 0.675 | S | S | . | * | cis | -171.6 | -176.6 | -46.4 | -132.9 | 6.1 | 0 | 0 | 0 | 109.3 | R378 S380 | R378-D435 VanDerWaalsContact CA-OD2 3.24Å; R378-D435 WeakPolarHBondContact CA-OD2 3.49Å; R378-D435 HydrophobicContact CB-CB 4.02Å; R378-D435 WeakPolarHBondContact CB-OD2 3.48Å; R378-D435 WeakPolarHBondContact CG-OD2 3.47Å; R378-D435 IonicContact CZ-OD1 3.21Å; R378-D435 IonicContact NE-OD1 3.1Å; R378-D435 PolarHBondContact NE-OD1 3.17Å; R378-D435 IonicContact NE-OD2 3.08Å; R378-D435 PolarHBondContact NE-OD2 3.01Å; R378-D435 IonicContact NH2-OD1 2.74Å; R378-D435 PolarHBondContact NH2-OD1 3.2Å; S380-D435 WeakPolarHBondContact CB-O 3.35Å; S380-D435 VanDerWaalsContact N-C 3.34Å; S380-D435 VanDerWaalsContact N-N 3.13Å; S380-D435 PolarHBondContact N-O 3.37Å; S380-D435 PolarHBondContact OG-O 2.83Å | ||
| 436 | A | 22.6 | Very low | 24.1 | Very low | 39 Ų | 39 | 126.3 Ų | 126.3 | 32% | 0.322 | 66% | 0.661 | S | S | . | * | trans | -86 | 144.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R378 L379 | R378-A436 CarbonylContact C-O 3.52Å; R378-A436 HydrophobicContact CB-CB 4.07Å; R378-A436 VanDerWaalsContact CB-O 3.31Å; R378-A436 WeakPolarHBondContact CB-O 3.41Å; L379-A436 WeakPolarHBondContact CA-O 3.12Å | ||
| 437 | W | 22.6 | Very low | 24.4 | Very low | 172 Ų | 172 | 124 Ų | 124 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | -144.5 | 129.5 | 123.3 | -122.5 | 60.1 | 0 | 0 | 0 | 109.7 | L379 | L379-W437 HydrophobicContact CD1-CB 4.41Å; L379-W437 HydrophobicContact CD2-CB 3.87Å; L379-W437 HydrophobicContact CG-CB 3.91Å; L379-W437 HydrophobicContact CG-CG 4.37Å | |||
| 438 | V | 26.8 | Very low | 24.4 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | trans | -98.8 | 131.8 | 168.4 | 169.9 | 0 | 0 | 0 | 0 | 107 | T440 | V438-T440 HydrophobicContact CG1-CG2 3.99Å; V438-T440 VanDerWaalsContact CG1-N 3.28Å | ||
| 439 | P | 22.6 | Very low | 24.4 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 51% | 0.506 | 66% | 0.657 | S | S | . | * | trans | -113.7 | 84.1 | 149.7 | 32 | -21.6 | 0 | 0 | 0 | 107.7 | Q443 | P439-Q443 HydrophobicContact CB-CB 4.41Š| ||
| 440 | T | 21.5 | Very low | 24.4 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | 59.7 | 138.5 | 90.1 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | V438 E442 Q443 | V438-T440 HydrophobicContact CG1-CG2 3.99Å; V438-T440 VanDerWaalsContact CG1-N 3.28Å; T440-E442 PolarHBondContact O-N 3.08Å; T440-Q443 PolarHBondContact O-N 2.91Å | |||
| 441 | S | 24.1 | Very low | 24.5 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 29.2 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 442 | E | 25.5 | Very low | 24.3 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | -8.1 | 178.4 | -65.3 | -180 | 132 | 0 | 0 | 111.8 | T440 | T440-E442 PolarHBondContact O-N 3.08Š|
| 443 | Q | 26.2 | Very low | 24.3 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -117.3 | 0.5 | 175.5 | -68.2 | -165.8 | -19 | 0 | 0 | 115.1 | P439 T440 | P439-Q443 HydrophobicContact CB-CB 4.41Å; T440-Q443 PolarHBondContact O-N 2.91Å |
| 444 | L | 29.7 | Very low | 24.3 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 89% | 0.885 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -70.4 | -23.6 | 150.9 | -152.9 | 77.5 | 0 | 0 | 0 | 111.2 | ||
| 445 | D | 24.5 | Very low | 24.5 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -92.6 | 1.7 | -175.4 | -110 | -15.5 | 0 | 0 | 0 | 114.8 | N449 | D445-N449 PolarHBondContact O-ND2 3.48Š|
| 446 | Q | 26.4 | Very low | 24.7 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -137.6 | 10.6 | -177.9 | -116.1 | 163 | 76.3 | 0 | 0 | 116.5 | L448 N449 | Q446-L448 PolarHBondContact O-N 2.83Å; Q446-N449 HydrophobicContact CG-CB 3.64Å |
| 447 | L | 29.9 | Very low | 24.7 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -0.7 | 158.9 | -124 | 173.3 | 0 | 0 | 0 | 112.9 | ||
| 448 | L | 26.1 | Very low | 24.8 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 66.1 | 163 | -79 | -179.1 | 0 | 0 | 0 | 111.4 | Q446 | Q446-L448 PolarHBondContact O-N 2.83Š|
| 449 | N | 22.3 | Very low | 24.7 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 57% | 0.572 | 71% | 0.711 | S | S | * | * | trans | -143 | 100.6 | 161.7 | -97.4 | -56.2 | 0 | 0 | 0 | 111.4 | D445 Q446 | D445-N449 PolarHBondContact O-ND2 3.48Å; Q446-N449 HydrophobicContact CG-CB 3.64Å | ||
| 450 | N | 22.9 | Very low | 24.7 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | -155.4 | 127.7 | 165.5 | -124 | -36.6 | 0 | 0 | 0 | 105.3 | ||||
| 451 | V | 25.2 | Very low | 25.2 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | 64.8 | 87.3 | -167.9 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 452 | E | 21.4 | Very low | 25.2 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | cis | 59.7 | 131.3 | 34.7 | -141.7 | -157 | -138.7 | 0 | 0 | 113 | ||||
| 453 | Y | 21.8 | Very low | 25.2 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 66 | 158.7 | 179 | -82.2 | -111.5 | 0 | 0 | 0 | 116.1 | ||||
| 454 | P | 25.1 | Very low | 25.1 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | cis | -148.5 | 179.5 | -31.8 | 37.1 | -17.6 | 0 | 0 | 0 | 118.2 | ||||
| 455 | T | 27.5 | Very low | 25.1 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | 61.4 | 100.2 | 145.1 | 47 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 456 | E | 23.9 | Very low | 25.4 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | trans | -41.5 | 147.9 | 132.9 | -46.1 | 173.2 | 138.7 | 0 | 0 | 113 | ||||
| 457 | I | 22.8 | Very low | 25.4 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | trans | 161.7 | 126.3 | 155.2 | -90.3 | 152.5 | 0 | 0 | 0 | 106.6 | ||||
| 458 | H | 24 | Very low | 25.4 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | cis | -160.4 | 176.9 | -10.3 | -105.1 | -23.9 | 0 | 0 | 0 | 109.8 | ||||
| 459 | S | 25.4 | Very low | 25.5 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | 70.8 | 112.5 | 171.2 | 61.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 460 | S | 23 | Very low | 25.6 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | cis | 93 | 160.9 | 36.7 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 461 | P | 32 | Very low | 25.9 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | -138.8 | -164.4 | -57.8 | 40.6 | -23.7 | 0 | 0 | 0 | 113.8 | |||||
| 462 | N | 23 | Very low | 25.8 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | 89 | 146.1 | 166.2 | -60.4 | -13.3 | 0 | 0 | 0 | 118 | ||||
| 463 | T | 26.4 | Very low | 25.9 | Very low | 56 Ų | 56 | 127.6 Ų | 127.6 | 34% | 0.344 | 68% | 0.676 | S | S | . | * | trans | 65.6 | 121.4 | -158.5 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | I514 I515 G516 | T463-I514 PolarHBondContact OG1-O 3.3Å; T463-I515 WeakPolarHBondContact CB-O 3.4Å; T463-I515 WeakPolarHBondContact O-CG2 3.48Å; T463-I515 WeakPolarHBondContact OG1-CB 3.48Å; T463-I515 VanDerWaalsContact OG1-CG2 3.23Å; T463-I515 WeakPolarHBondContact OG1-CG2 3.15Å; T463-G516 VanDerWaalsContact O-CA 3.3Å; T463-G516 WeakPolarHBondContact O-CA 3.43Å; T463-G516 PolarHBondContact O-N 3.37Å | ||
| 464 | T | 24.2 | Very low | 26 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | B | Isolated β-bridge | cis | 72.3 | 86.1 | -9 | 78.5 | 0 | 0 | 0 | 0 | 119.4 | G516 | T464-G516 VanDerWaalsContact N-C 3.29Å; T464-G516 PolarHBondContact N-O 2.92Å |
| 465 | N | 28.5 | Very low | 25.8 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -151.5 | 130.9 | 142.4 | -147.5 | -16.8 | 0 | 0 | 0 | 109.4 | ||||
| 466 | I | 31.4 | Very low | 25.6 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | trans | -138.4 | 161.7 | -151.3 | -75.9 | 174.8 | 0 | 0 | 0 | 113 | D518 | I466-D518 WeakPolarHBondContact CD1-O 3.21Š| ||
| 467 | Q | 26.3 | Very low | 25.6 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | 84.1 | 166.6 | 169.5 | -108.7 | -150.9 | 45.5 | 0 | 0 | 118.8 | ||||
| 468 | H | 31.3 | Very low | 25.6 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 50% | 0.495 | 68% | 0.679 | S | S | . | * | trans | 39.2 | 108.7 | -135.9 | -122.9 | -53.6 | 0 | 0 | 0 | 117.8 | R470 | H468-R470 PolarHBondContact CE1-NE 3.42Å; H468-R470 PolarHBondContact CE1-NH1 3.34Å; H468-R470 PolarHBondContact CE1-NH2 3.09Å; H468-R470 PolarHBondContact NE2-NH1 2.79Å; H468-R470 PolarHBondContact NE2-NH2 3.28Å | ||
| 469 | P | 28.1 | Very low | 25.6 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -88.6 | -90 | 172.7 | 32.1 | -27.2 | 0 | 0 | 0 | 110.6 | ||||
| 470 | R | 23.5 | Very low | 25.7 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | trans | 65.6 | 163.6 | 177 | -99.4 | -174.5 | -157.8 | 131.5 | 6.5 | 112.9 | H468 | H468-R470 PolarHBondContact CE1-NE 3.42Å; H468-R470 PolarHBondContact CE1-NH1 3.34Å; H468-R470 PolarHBondContact CE1-NH2 3.09Å; H468-R470 PolarHBondContact NE2-NH1 2.79Å; H468-R470 PolarHBondContact NE2-NH2 3.28Å | ||
| 471 | L | 29.1 | Very low | 25.9 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | cis | -130.5 | 154.9 | -5.8 | -82.4 | 113.7 | 0 | 0 | 0 | 106.8 | ||||
| 472 | L | 22.8 | Very low | 25.5 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 60% | 0.602 | 67% | 0.671 | S | S | * | * | 63 | 120 | 56.1 | -77.3 | 162.9 | 0 | 0 | 0 | 114 | |||||
| 473 | N | 23.5 | Very low | 25.5 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | trans | 70.7 | 148.8 | 163.9 | -58.1 | 41 | 0 | 0 | 0 | 116.9 | ||||
| 474 | N | 24.1 | Very low | 25.7 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | cis | -137.6 | 135.4 | -17.4 | -85.4 | 129.5 | 0 | 0 | 0 | 106.3 | ||||
| 475 | D | 22.3 | Very low | 25.7 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 57% | 0.572 | 69% | 0.689 | S | S | * | * | cis | 55.1 | 103.3 | 8.5 | 51.3 | -86.3 | 0 | 0 | 0 | 113.9 | ||||
| 476 | N | 23.1 | Very low | 25.5 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | cis | -132.3 | 153.9 | 5.8 | -66.4 | -24.7 | 0 | 0 | 0 | 107.3 | ||||
| 477 | E | 22.5 | Very low | 25.3 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | cis | 52.8 | 89.4 | 38.7 | -73 | -156.3 | 173.7 | 0 | 0 | 116.5 | ||||
| 478 | D | 23.8 | Very low | 25.2 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 30.5 | 110 | 147.3 | -62.1 | -1.8 | 0 | 0 | 0 | 120.2 | ||
| 479 | D | 24.1 | Very low | 24.9 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | 50.5 | 176.3 | 139.5 | -89.7 | -33.5 | 0 | 0 | 0 | 118.8 | ||||
| 480 | W | 26.7 | Very low | 24.7 | Very low | 219 Ų | 219 | 132.8 Ų | 132.8 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | trans | 61.2 | 167.4 | 179.2 | -38.6 | 78.8 | 0 | 0 | 0 | 112.6 | ||||
| 481 | I | 26.5 | Very low | 24.9 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | cis | -127.3 | 154.5 | -21.4 | -143.3 | 162.3 | 0 | 0 | 0 | 109.8 | ||||
| 482 | C | 25.4 | Very low | 24.6 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 48% | 0.48 | 68% | 0.68 | S | S | . | * | trans | -62.2 | 133.3 | 171.7 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | K1621 | C482-K1621 VanDerWaalsContact SG-CD 3.52Å; C482-K1621 PolarHBondContact SG-NZ 3.21Å | ||
| 483 | S | 22.4 | Very low | 24.7 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -53.2 | 162.5 | 159.4 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 484 | P | 29.4 | Very low | 24.6 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 47% | 0.468 | 70% | 0.695 | S | S | . | * | cis | -131.9 | 172.2 | -21.4 | 34.1 | -17.2 | 0 | 0 | 0 | 113.7 | E1766 | P484-E1766 HydrophobicContact CB-CG 4.21Å; P484-E1766 WeakPolarHBondContact CB-OE1 3.26Å; P484-E1766 WeakPolarHBondContact CG-OE1 3.21Å | ||
| 485 | I | 25.7 | Very low | 24.6 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -129.6 | 102 | 141.5 | -65.6 | -175.2 | 0 | 0 | 0 | 107.7 | ||||
| 486 | E | 23.8 | Very low | 24.7 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | trans | 1.6 | 140.2 | 141.2 | -59.8 | 170.1 | 143.9 | 0 | 0 | 118.5 | E1766 | E486-E1766 WeakPolarHBondContact CG-OE1 3.2Å; E486-E1766 PolarHBondContact N-OE1 3.23Å | ||
| 487 | L | 26.2 | Very low | 25 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | trans | 122.2 | 101.7 | 155.3 | -64.2 | 165.4 | 0 | 0 | 0 | 112 | ||||
| 488 | D | 25 | Very low | 25.2 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | 61 | 139.7 | 68.8 | -73.2 | -19.4 | 0 | 0 | 0 | 113.7 | |||||
| 489 | K | 24.5 | Very low | 25.2 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 49% | 0.491 | 67% | 0.667 | S | S | . | * | cis | -161.9 | 152 | -6.4 | -111.9 | 153.6 | -169.1 | 146.8 | 0 | 105.4 | S1717 | K489-S1717 PolarHBondContact NZ-OG 3.37Š| ||
| 490 | N | 24.6 | Very low | 25.4 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | 160.6 | 158.4 | 127 | -91.7 | -61.4 | 0 | 0 | 0 | 116 | |||||
| 491 | K | 28.3 | Very low | 25.3 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | trans | 60.9 | 71.5 | 159.6 | -71.9 | 171.9 | -177.5 | 174.7 | 0 | 116.5 | ||||
| 492 | T | 20.8 | Very low | 25.3 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | trans | -54 | 137.4 | 141.7 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | K1807 | T492-K1807 PolarHBondContact OG1-NZ 2.88Å; T492-K1807 VanDerWaalsContact OG1-NZ 3.07Å | ||
| 493 | F | 25.3 | Very low | 25.5 | Very low | 213 Ų | 213 | 122.5 Ų | 122.5 | 93% | 0.934 | 65% | 0.649 | S | S | * | * | trans | -131.2 | 137 | 147 | -127.8 | -82.2 | 0 | 0 | 0 | 109.2 | ||||
| 494 | D | 22.1 | Very low | 25.9 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 54% | 0.54 | 65% | 0.65 | S | S | . | * | trans | -93 | 144.6 | -163.2 | -89.2 | -87.3 | 0 | 0 | 0 | 113 | K1807 | D494-K1807 IonicContact OD2-NZ 3.99Š| ||
| 495 | N | 23.6 | Very low | 25.9 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 67% | 0.669 | S | S | * | * | trans | 47.8 | 129.2 | 146.7 | -57.3 | -49.7 | 0 | 0 | 0 | 120.9 | ||||
| 496 | N | 24.8 | Very low | 26 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | 177 | 147 | 114.5 | -96 | -56.7 | 0 | 0 | 0 | 113 | |||||
| 497 | V | 28.4 | Very low | 26.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 66% | 0.655 | 68% | 0.675 | S | S | * | * | trans | 68.5 | 142.6 | 150.2 | 163.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 498 | L | 26.6 | Very low | 26.2 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | cis | -159.7 | -172.1 | -25.2 | -154.9 | 100.2 | 0 | 0 | 0 | 109.6 | E522 | L498-E522 PolarHBondContact N-OE1 3.17Å; L498-E522 VanDerWaalsContact N-OE1 3.15Å; L498-E522 WeakPolarHBondContact O-CG 3.31Å | ||
| 499 | N | 24.3 | Very low | 26.3 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | trans | -107.7 | 146.5 | -175.4 | 30.9 | -124 | 0 | 0 | 0 | 114.9 | D523 | N499-D523 CarbonylContact C-O 3.16Å; N499-D523 HydrophobicContact CB-CB 4.44Å; N499-D523 WeakPolarHBondContact CB-O 3.29Å | ||
| 500 | N | 28.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | -170.9 | 133.8 | 129.4 | -94.6 | -65.9 | 0 | 0 | 0 | 114.7 | E522 D523 | N500-E522 CarbonylContact O-C 3.6Å; N500-D523 CarbonylContact C-O 3.53Å; N500-D523 WeakPolarHBondContact CA-O 3.08Å; N500-D523 VanDerWaalsContact N-N 3.15Å; N500-D523 PolarHBondContact N-O 3.3Å; N500-D523 PolarHBondContact O-N 3.38Å | |||
| 501 | T | 26 | Very low | 27.2 | Very low | 68 Ų | 68 | 133 Ų | 133 | 42% | 0.417 | 70% | 0.695 | S | S | . | * | trans | -72.6 | 173.8 | 172.5 | 40 | 0 | 0 | 0 | 0 | 114.2 | D523 D524 | T501-D523 PolarHBondContact N-O 3.08Å; T501-D523 VanDerWaalsContact N-O 3.1Å; T501-D524 WeakPolarHBondContact CB-O 3.5Å; T501-D524 WeakPolarHBondContact CG2-O 3.49Å; T501-D524 PolarHBondContact OG1-O 3.4Å | ||
| 502 | L | 25.1 | Very low | 27 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | -176.6 | 178.8 | 52.4 | -129.1 | 148.6 | 0 | 0 | 0 | 112.4 | |||||
| 503 | T | 30.2 | Very low | 27.1 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | 71.2 | 98.9 | 157.5 | 48.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 504 | S | 30.4 | Very low | 27.1 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | 105.7 | 130.3 | 107.3 | 80.4 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 505 | R | 30.6 | Very low | 27.3 | Very low | 232 Ų | 232 | 125.4 Ų | 125.4 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | trans | 58.8 | 99.7 | 136.3 | -69.3 | 178 | 175.4 | 163.1 | -0.8 | 122.8 | ||||
| 506 | N | 27.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | 42.5 | 114 | 114.7 | -72.2 | 4.1 | 0 | 0 | 0 | 121.8 | |||||
| 507 | S | 26.9 | Very low | 27.4 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | 105.3 | 131.8 | 109 | 74.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 508 | I | 27.1 | Very low | 27.2 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | trans | 86.8 | 108.5 | 142.7 | -72.2 | 163.7 | 0 | 0 | 0 | 119.6 | ||||
| 509 | T | 27.5 | Very low | 27.3 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | trans | 28.8 | 129 | 145.4 | 67.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 510 | H | 26.8 | Very low | 27.5 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -157.4 | 128.5 | 148.4 | -96.6 | -65.1 | 0 | 0 | 0 | 107.5 | S512 | H510-S512 VanDerWaalsContact C-N 3.3Š| ||
| 511 | Q | 41.5 | Very low | 27.5 | Very low | 192 Ų | 192 | 124 Ų | 124 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | S | Bend | -7.9 | 80.1 | 75.1 | -79.3 | -167.2 | -21.1 | 0 | 0 | 112.9 | |||
| 512 | S | 22.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | cis | -153.9 | 155.9 | 13.6 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | H510 | H510-S512 VanDerWaalsContact C-N 3.3Š| ||
| 513 | S | 23.7 | Very low | 27.9 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | cis | 178.5 | -176.8 | -9.9 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 514 | I | 25 | Very low | 27.8 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | trans | 76.2 | 104.7 | 159.3 | -63.1 | 161.2 | 0 | 0 | 0 | 116.9 | T463 | T463-I514 PolarHBondContact OG1-O 3.3Š| ||
| 515 | I | 25.2 | Very low | 27.7 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 67% | 0.672 | 66% | 0.656 | S | S | * | * | trans | 65.5 | 162.2 | 144.3 | -60.4 | 176.6 | 0 | 0 | 0 | 115.8 | T463 | T463-I515 WeakPolarHBondContact CB-O 3.4Å; T463-I515 WeakPolarHBondContact O-CG2 3.48Å; T463-I515 WeakPolarHBondContact OG1-CB 3.48Å; T463-I515 VanDerWaalsContact OG1-CG2 3.23Å; T463-I515 WeakPolarHBondContact OG1-CG2 3.15Å | ||
| 516 | G | 25.4 | Very low | 27.5 | Very low | 28 Ų | 28 | 116.2 Ų | 116.2 | 29% | 0.289 | 64% | 0.644 | S | S | . | * | B | Isolated β-bridge | cis | -171.9 | -154.7 | 3.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | T463 T464 | T463-G516 VanDerWaalsContact O-CA 3.3Å; T463-G516 WeakPolarHBondContact O-CA 3.43Å; T463-G516 PolarHBondContact O-N 3.37Å; T464-G516 VanDerWaalsContact N-C 3.29Å; T464-G516 PolarHBondContact N-O 2.92Å |
| 517 | T | 25.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 68% | 0.675 | 64% | 0.643 | S | S | * | * | trans | -79.7 | 157.8 | -156 | 46.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 518 | D | 24.8 | Very low | 27.4 | Very low | 102 Ų | 102 | 119 Ų | 119 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | trans | 76.4 | 120.6 | 145.5 | -88.2 | 36.1 | 0 | 0 | 0 | 127.4 | I466 | I466-D518 WeakPolarHBondContact CD1-O 3.21Š| ||
| 519 | K | 28.7 | Very low | 27.3 | Very low | 186 Ų | 186 | 119.3 Ų | 119.3 | 81% | 0.809 | 65% | 0.651 | S | S | * | * | trans | 59.2 | 133 | 137.5 | -63.2 | 172.9 | -176.3 | 149.5 | 0 | 125.8 | ||||
| 520 | G | 27.6 | Very low | 27.2 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | 152.3 | 111.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 521 | Q | 29.5 | Very low | 27.1 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | 15.2 | 144.6 | 155 | -88.1 | 166.2 | -83.4 | 0 | 0 | 129.9 | ||||
| 522 | E | 27.9 | Very low | 26.3 | Very low | 76 Ų | 76 | 115.5 Ų | 115.5 | 36% | 0.355 | 66% | 0.655 | S | S | . | * | trans | 90.4 | 161.2 | 138.2 | -66.6 | 177.5 | -165.4 | 0 | 0 | 126.3 | L498 N500 | L498-E522 PolarHBondContact N-OE1 3.17Å; L498-E522 VanDerWaalsContact N-OE1 3.15Å; L498-E522 WeakPolarHBondContact O-CG 3.31Å; N500-E522 CarbonylContact O-C 3.6Å | ||
| 523 | D | 30.1 | Very low | 26.4 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 51% | 0.513 | 67% | 0.665 | S | S | . | * | trans | -127.8 | 162.4 | -138.7 | -43.1 | -68.3 | 0 | 0 | 0 | 123.5 | N499 N500 T501 | N499-D523 CarbonylContact C-O 3.16Å; N499-D523 HydrophobicContact CB-CB 4.44Å; N499-D523 WeakPolarHBondContact CB-O 3.29Å; N500-D523 CarbonylContact C-O 3.53Å; N500-D523 WeakPolarHBondContact CA-O 3.08Å; N500-D523 VanDerWaalsContact N-N 3.15Å; N500-D523 PolarHBondContact N-O 3.3Å; N500-D523 PolarHBondContact O-N 3.38Å; T501-D523 PolarHBondContact N-O 3.08Å; T501-D523 VanDerWaalsContact N-O 3.1Å | ||
| 524 | D | 29 | Very low | 26.5 | Very low | 98 Ų | 98 | 121 Ų | 121 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | trans | 92.3 | 132.3 | 146.9 | -138.7 | 11.4 | 0 | 0 | 0 | 125.1 | T501 | T501-D524 WeakPolarHBondContact CB-O 3.5Å; T501-D524 WeakPolarHBondContact CG2-O 3.49Å; T501-D524 PolarHBondContact OG1-O 3.4Å | ||
| 525 | K | 27.9 | Very low | 26.6 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | trans | -54.7 | 157.6 | -149.4 | -60.7 | 151.1 | -164.1 | -172.8 | 0 | 120.4 | L640 D642 | K525-L640 HydrophobicContact CD-CD1 3.66Å; K525-D642 IonicContact NZ-OD2 2.86Å; K525-D642 PolarHBondContact NZ-OD2 3.05Å | ||
| 526 | T | 26.9 | Very low | 26.6 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 63% | 0.632 | 69% | 0.685 | S | S | * | * | 178.3 | 159.6 | 82.5 | 36.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 527 | L | 25.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | 54.7 | 118.6 | 148.4 | -81.1 | 162.3 | 0 | 0 | 0 | 124.1 | ||||
| 528 | I | 26.7 | Very low | 26.6 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | -177.9 | 156.2 | 113.2 | -98.5 | 169.4 | 0 | 0 | 0 | 112.9 | |||||
| 529 | L | 24.4 | Very low | 26.5 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -66.8 | 150.6 | 178.2 | -67.6 | 69.5 | 0 | 0 | 0 | 113.3 | ||||
| 530 | N | 26.2 | Very low | 26.3 | Very low | 163 Ų | 163 | 124.6 Ų | 124.6 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | -177.3 | 146.8 | 109.7 | -96.2 | -34.4 | 0 | 0 | 0 | 114.2 | |||||
| 531 | A | 23.6 | Very low | 26 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -137.8 | 135.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 532 | T | 25.5 | Very low | 25.7 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | 58.8 | 95.7 | 168.3 | 56.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 533 | Q | 25.8 | Very low | 25.4 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | -127 | 149.5 | 135.2 | -92.6 | -173 | -27 | 0 | 0 | 106.7 | ||||
| 534 | C | 25.8 | Very low | 25.1 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | cis | -122.9 | 148.2 | -13.1 | -86.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 535 | A | 25.6 | Very low | 24.8 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 136.9 | -176.6 | 63.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 536 | L | 26.3 | Very low | 24.6 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | cis | -157.5 | 138.3 | -18.4 | -152.5 | 166.6 | 0 | 0 | 0 | 107.8 | ||||
| 537 | S | 25.7 | Very low | 24.5 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | 101.5 | 151.5 | 156 | 87.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 538 | F | 25.5 | Very low | 24.3 | Very low | 181 Ų | 181 | 134.5 Ų | 134.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 67.9 | 75.7 | 163.6 | -81.7 | -82 | 0 | 0 | 0 | 122.9 | ||||
| 539 | V | 23.3 | Very low | 24.6 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | 41.8 | 115.9 | 102.5 | -178.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 540 | C | 22.8 | Very low | 24.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | trans | 54.1 | 103.1 | 148.3 | -64.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 541 | S | 22.4 | Very low | 24.5 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 91.8 | 143.3 | 117 | 79.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 542 | Q | 23.1 | Very low | 24.5 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 79.1 | 109.3 | 157.6 | -58.2 | -121.5 | 25.4 | 0 | 0 | 120.7 | ||||
| 543 | Q | 22.2 | Very low | 24.4 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 80.9 | 116.9 | 131.1 | -64.2 | -169.7 | 8 | 0 | 0 | 123.1 | ||||
| 544 | S | 22.4 | Very low | 24.3 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 66.9 | 115.4 | 136.4 | 61.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 545 | G | 23.5 | Very low | 24.2 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -178.4 | 104.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 546 | V | 23.6 | Very low | 24.3 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 1.1 | 133.4 | 145.6 | -179.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 547 | D | 24 | Very low | 24.2 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | cis | -157.1 | -164.8 | 46.1 | -141.6 | -34.4 | 0 | 0 | 0 | 115.9 | ||||
| 548 | K | 21.5 | Very low | 24.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -92.6 | -169.3 | 177.8 | -53.4 | 172.6 | -176.7 | 165 | 0 | 112.5 | ||||
| 549 | P | 33.9 | Very low | 24.2 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | -132.4 | 149.9 | -77.5 | 39.1 | -23.2 | 0 | 0 | 0 | 114.2 | |||||
| 550 | T | 24.9 | Very low | 24.3 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -140.4 | 144.3 | 165.2 | -10.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 551 | V | 22.7 | Very low | 24.3 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -41.2 | 132.6 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 552 | G | 23.7 | Very low | 24.4 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | -173.5 | 139.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 553 | S | 23.2 | Very low | 24.4 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -97.1 | -160.2 | -174.9 | 55 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 554 | L | 25.4 | Very low | 24.4 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | 66.5 | 130.7 | -176.3 | -54.2 | 113.6 | 0 | 0 | 0 | 115.1 | A556 | L554-A556 HydrophobicContact CB-CB 4.39Å; L554-A556 HydrophobicContact CD2-CB 4.04Å | ||
| 555 | C | 23.2 | Very low | 24.5 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 89% | 0.892 | 72% | 0.718 | S | S | * | * | cis | 53.2 | 72.2 | 0.5 | -83.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 556 | A | 26.3 | Very low | 24.4 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | -120 | 68.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L554 | L554-A556 HydrophobicContact CB-CB 4.39Å; L554-A556 HydrophobicContact CD2-CB 4.04Å | ||
| 557 | I | 24.9 | Very low | 24.3 | Very low | 156 Ų | 156 | 127 Ų | 127 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.8 | 141.2 | -66.7 | 173.8 | 0 | 0 | 0 | 103.7 | N559 | I557-N559 PolarHBondContact O-N 3.42Š|
| 558 | K | 26.2 | Very low | 24.3 | Very low | 191 Ų | 191 | 126.4 Ų | 126.4 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -77 | 124.6 | 172.6 | -107.9 | -165.9 | 171.3 | -164.6 | 0 | 108.6 | ||
| 559 | N | 26.1 | Very low | 24.3 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 47% | 0.471 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 130.3 | 164.8 | -67.1 | 5.9 | 0 | 0 | 0 | 109.8 | I557 V561 | I557-N559 PolarHBondContact O-N 3.42Å; N559-V561 HydrophobicContact CB-CB 4.41Å; N559-V561 HydrophobicContact CB-CG2 3.76Å |
| 560 | E | 24.2 | Very low | 23.8 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | -106.3 | 122.1 | 122 | -69.3 | 164.7 | 173.4 | 0 | 0 | 103.5 | |||||
| 561 | V | 23.9 | Very low | 23.6 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 38% | 0.382 | 70% | 0.697 | S | S | . | * | trans | -120.1 | 98.7 | -178.6 | 157.9 | 0 | 0 | 0 | 0 | 105.2 | N559 E563 S643 P644 | N559-V561 HydrophobicContact CB-CB 4.41Å; N559-V561 HydrophobicContact CB-CG2 3.76Å; V561-E563 PolarHBondContact O-N 2.99Å; V561-S643 CarbonylContact O-C 3.49Å; V561-S643 WeakPolarHBondContact O-CA 3.49Å; V561-P644 WeakPolarHBondContact O-CD 3.36Å | ||
| 562 | T | 23.8 | Very low | 23.7 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 41% | 0.411 | 69% | 0.689 | S | S | . | * | trans | -62.2 | 125.4 | 166.8 | -33.8 | 0 | 0 | 0 | 0 | 106.8 | D564 D642 | T562-D564 HydrophobicContact CG2-CB 4.31Å; T562-D564 PolarHBondContact O-N 2.61Å; T562-D642 WeakPolarHBondContact CA-O 3.43Å | ||
| 563 | E | 22.5 | Very low | 23.6 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -74.6 | 71.5 | 169.5 | -71 | 172.1 | 174.3 | 0 | 0 | 107.9 | V561 | V561-E563 PolarHBondContact O-N 2.99Š|
| 564 | D | 22.5 | Very low | 23.5 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -171 | 74.1 | 176.3 | -89.1 | -33.1 | 0 | 0 | 0 | 109.1 | T562 | T562-D564 HydrophobicContact CG2-CB 4.31Å; T562-D564 PolarHBondContact O-N 2.61Å | ||
| 565 | D | 25.1 | Very low | 23.4 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | -167 | 49.4 | 168 | -131.9 | -18.7 | 0 | 0 | 0 | 111.9 | C567 | D565-C567 PolarHBondContact O-N 3.42Š| ||
| 566 | E | 20.9 | Very low | 23.4 | Very low | 204 Ų | 204 | 119.7 Ų | 119.7 | 95% | 0.953 | 65% | 0.65 | S | S | * | * | trans | -73.5 | 52.9 | 173.8 | -84.1 | -130.3 | 124.1 | 0 | 0 | 112.4 | ||||
| 567 | C | 22.6 | Very low | 23.2 | Very low | 76 Ų | 76 | 120.8 Ų | 120.8 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | trans | -130.3 | 157.3 | 178.3 | -144.5 | 0 | 0 | 0 | 0 | 112.9 | D565 | D565-C567 PolarHBondContact O-N 3.42Š| ||
| 568 | M | 23.9 | Very low | 23.2 | Very low | 134 Ų | 134 | 114.7 Ų | 114.7 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 68.2 | 37.8 | 172.3 | -56.2 | -67 | 154.8 | 0 | 0 | 117.8 | ||
| 569 | S | 21.4 | Very low | 23.1 | Very low | 121 Ų | 121 | 107.1 Ų | 107.1 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | trans | -117.2 | 12 | 158.8 | 75.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 570 | Q | 21.5 | Very low | 23.1 | Very low | 145 Ų | 145 | 104.2 Ų | 104.2 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -60.1 | 147.1 | 168.2 | -70.7 | -166.5 | 5.1 | 0 | 0 | 111.7 | S574 | Q570-S574 VanDerWaalsContact OE1-CB 3.29Å; Q570-S574 PolarHBondContact OE1-OG 2.79Å |
| 571 | P | 21.8 | Very low | 23.2 | Very low | 106 Ų | 106 | 102 Ų | 102 | 69% | 0.688 | 56% | 0.56 | S | S | * | * | trans | -63.1 | 154.6 | 170.2 | 29.6 | -35.5 | 0 | 0 | 0 | 110.7 | G573 | P571-G573 VanDerWaalsContact C-N 3.25Å; P571-G573 PolarHBondContact O-N 3.33Å | ||
| 572 | V | 24.5 | Very low | 23.3 | Very low | 122 Ų | 122 | 104.6 Ų | 104.6 | 74% | 0.739 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -70.7 | 83 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 573 | G | 21.2 | Very low | 23.3 | Very low | 51 Ų | 51 | 104.9 Ų | 104.9 | 53% | 0.526 | 57% | 0.57 | S | S | . | * | trans | -177.1 | 36.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P571 | P571-G573 VanDerWaalsContact C-N 3.25Å; P571-G573 PolarHBondContact O-N 3.33Å | ||
| 574 | S | 21.1 | Very low | 23.3 | Very low | 56 Ų | 56 | 101.5 Ų | 101.5 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | trans | -156 | 41.9 | -173.9 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | Q570 | Q570-S574 VanDerWaalsContact OE1-CB 3.29Å; Q570-S574 PolarHBondContact OE1-OG 2.79Å | ||
| 575 | Y | 24.4 | Very low | 23.3 | Very low | 195 Ų | 195 | 101.2 Ų | 101.2 | 77% | 0.765 | 56% | 0.56 | S | S | * | * | trans | -138.3 | 49.8 | 174.9 | -91.2 | -72.1 | 0 | 0 | 0 | 112 | ||||
| 576 | L | 23.2 | Very low | 23.2 | Very low | 90 Ų | 90 | 101.8 Ų | 101.8 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | trans | -141 | 17.6 | 179.7 | -79.4 | -177.7 | 0 | 0 | 0 | 115.5 | L1635 K1638 | L576-L1635 HydrophobicContact CD1-CD1 3.57Å; L576-L1635 HydrophobicContact CD1-CD2 4.13Å; L576-K1638 PolarHBondContact O-NZ 3.13Å | ||
| 577 | D | 21.7 | Very low | 23.3 | Very low | 107 Ų | 107 | 100.3 Ų | 100.3 | 57% | 0.572 | 56% | 0.555 | S | S | * | * | trans | -108.2 | 90.3 | 162.5 | -79.8 | -24.5 | 0 | 0 | 0 | 108.7 | K1638 | D577-K1638 IonicContact OD1-NZ 3.45Å; D577-K1638 PolarHBondContact OD1-NZ 2.7Å | ||
| 578 | S | 24.4 | Very low | 23.4 | Very low | 27 Ų | 27 | 100.7 Ų | 100.7 | 19% | 0.189 | 56% | 0.559 | C | S | . | * | trans | -173.8 | 107 | 154.4 | 65.9 | 0 | 0 | 0 | 0 | 105.5 | D580 K1775 | S578-D580 VanDerWaalsContact C-N 3.29Å; S578-D580 PolarHBondContact O-N 3.5Å; S578-K1775 PolarHBondContact OG-NZ 3.04Å; S578-K1775 VanDerWaalsContact OG-NZ 3.09Å | ||
| 579 | D | 25.1 | Very low | 23.3 | Very low | 33 Ų | 33 | 99 Ų | 99 | 18% | 0.176 | 55% | 0.553 | C | S | . | * | G | 310 helix | trans | -80.7 | -6.7 | -154.2 | -78.2 | -5.5 | 0 | 0 | 0 | 115.8 | I581 F582 K1638 | D579-I581 PolarHBondContact O-N 3.02Å; D579-F582 PolarHBondContact O-N 2.87Å; D579-K1638 WeakPolarHBondContact OD1-CE 3.36Å; D579-K1638 IonicContact OD1-NZ 2.82Å; D579-K1638 PolarHBondContact OD1-NZ 3.39Å; D579-K1638 IonicContact OD2-NZ 3.7Å |
| 580 | D | 25.3 | Very low | 23.4 | Very low | 26 Ų | 26 | 100.7 Ų | 100.7 | 14% | 0.139 | 55% | 0.547 | C | S | . | . | G | 310 helix | trans | -45.2 | -30.5 | 174.5 | -134.2 | -23.8 | 0 | 0 | 0 | 116.9 | S578 F582 S584 K1755 Y1757 | S578-D580 VanDerWaalsContact C-N 3.29Å; S578-D580 PolarHBondContact O-N 3.5Å; D580-F582 PolarHBondContact O-N 3.39Å; D580-S584 PolarHBondContact O-OG 3.08Å; D580-S584 VanDerWaalsContact O-OG 3.13Å; D580-K1755 IonicContact OD1-NZ 2.77Å; D580-K1755 PolarHBondContact OD1-NZ 3.47Å; D580-Y1757 PolarHBondContact OD2-OH 3.28Å |
| 581 | I | 26.1 | Very low | 23.6 | Very low | 105 Ų | 105 | 98.9 Ų | 98.9 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -78.8 | -19.1 | -171.4 | -66.3 | 178.9 | 0 | 0 | 0 | 112.6 | D579 | D579-I581 PolarHBondContact O-N 3.02Š|
| 582 | F | 26.2 | Very low | 23.6 | Very low | 118 Ų | 118 | 103.1 Ų | 103.1 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -15.3 | -177 | -82.6 | -83.6 | 0 | 0 | 0 | 115.3 | D579 D580 L1639 | D579-F582 PolarHBondContact O-N 2.87Å; D580-F582 PolarHBondContact O-N 3.39Å; F582-L1639 HydrophobicContact CD1-CD1 4.39Å; F582-L1639 HydrophobicContact CE1-CD1 3.77Å; F582-L1639 HydrophobicContact CZ-CD1 4.36Å |
| 583 | C | 24 | Very low | 23.5 | Very low | 72 Ų | 72 | 103 Ų | 103 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -10.5 | 177 | -71 | 0 | 0 | 0 | 0 | 114.2 | ||
| 584 | S | 22.6 | Very low | 23.5 | Very low | 68 Ų | 68 | 105.9 Ų | 105.9 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -111 | 3.1 | -169.9 | 54.4 | 0 | 0 | 0 | 0 | 115.8 | D580 | D580-S584 PolarHBondContact O-OG 3.08Å; D580-S584 VanDerWaalsContact O-OG 3.13Å |
| 585 | L | 22.8 | Very low | 23.6 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | trans | -131 | 49.5 | -174.2 | -79.8 | 173.6 | 0 | 0 | 0 | 114.9 | H587 | L585-H587 PolarHBondContact O-N 2.96Š| ||
| 586 | N | 22.3 | Very low | 23.5 | Very low | 157 Ų | 157 | 107 Ų | 107 | 84% | 0.84 | 57% | 0.57 | S | S | * | * | trans | -73.1 | 49.7 | 164.5 | -102.3 | -20.9 | 0 | 0 | 0 | 112.8 | ||||
| 587 | H | 23.3 | Very low | 23.5 | Very low | 172 Ų | 172 | 110.3 Ų | 110.3 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | trans | -105.2 | 84.2 | 168.5 | -87 | -25 | 0 | 0 | 0 | 110.8 | L585 N589 | L585-H587 PolarHBondContact O-N 2.96Å; H587-N589 PolarHBondContact O-N 2.97Å | ||
| 588 | S | 24.3 | Very low | 23.6 | Very low | 85 Ų | 85 | 112.8 Ų | 112.8 | 59% | 0.594 | 60% | 0.601 | S | S | * | * | trans | -58.9 | 114.9 | 166.2 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | E590 | S588-E590 PolarHBondContact O-N 3.34Š| ||
| 589 | N | 22.3 | Very low | 23.5 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -72.8 | 57.8 | 172.1 | -98.7 | -22.2 | 0 | 0 | 0 | 112.3 | H587 W1867 | H587-N589 PolarHBondContact O-N 2.97Å; N589-W1867 WeakPolarHBondContact OD1-CZ3 3.48Å |
| 590 | E | 23.8 | Very low | 23.5 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | -166.4 | 68.3 | 159.3 | -115.2 | 163.1 | -145.5 | 0 | 0 | 112.4 | S588 | S588-E590 PolarHBondContact O-N 3.34Š| ||
| 591 | M | 24.3 | Very low | 23.4 | Very low | 107 Ų | 107 | 131 Ų | 131 | 53% | 0.527 | 70% | 0.698 | S | S | . | * | trans | -92.4 | 104 | 172.4 | -156.6 | 177.6 | -171.4 | 0 | 0 | 110.1 | I593 F1652 | M591-I593 HydrophobicContact CE-CD1 3.81Å; M591-I593 HydrophobicContact CE-CG1 4.01Å; M591-I593 HydrophobicContact CG-CD1 4.21Å; M591-I593 HydrophobicContact CG-CG1 3.81Å; M591-I593 HydrophobicContact SD-CD1 3.85Å; M591-I593 HydrophobicContact SD-CG1 4.11Å; M591-F1652 HydrophobicContact CE-CE1 4.01Å; M591-F1652 HydrophobicContact CE-CZ 4.07Å | ||
| 592 | F | 21.7 | Very low | 23.3 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | trans | -87.7 | 123.4 | 157.7 | -95.7 | -90.1 | 0 | 0 | 0 | 107.7 | ||||
| 593 | I | 23.2 | Very low | 23.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | trans | -112.6 | 110.2 | 174.6 | -55.8 | 179.5 | 0 | 0 | 0 | 107.5 | M591 | M591-I593 HydrophobicContact CE-CD1 3.81Å; M591-I593 HydrophobicContact CE-CG1 4.01Å; M591-I593 HydrophobicContact CG-CD1 4.21Å; M591-I593 HydrophobicContact CG-CG1 3.81Å; M591-I593 HydrophobicContact SD-CD1 3.85Å; M591-I593 HydrophobicContact SD-CG1 4.11Å | ||
| 594 | P | 21.3 | Very low | 23.2 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -62.6 | 132.6 | 160.4 | -15.7 | 30.8 | 0 | 0 | 0 | 108.8 | Q596 | P594-Q596 PolarHBondContact O-N 3.02Å; P594-Q596 VanDerWaalsContact O-N 3.08Å | ||
| 595 | S | 22.2 | Very low | 23.3 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -86.1 | 78.8 | -169.6 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 596 | Q | 23 | Very low | 23.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -155.4 | 164.8 | 164.6 | -108.1 | 143.2 | -21.5 | 0 | 0 | 110.9 | P594 | P594-Q596 PolarHBondContact O-N 3.02Å; P594-Q596 VanDerWaalsContact O-N 3.08Å | ||
| 597 | D | 23.7 | Very low | 23.4 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | 54.1 | 93.7 | 171.4 | -53.2 | -15.1 | 0 | 0 | 0 | 117 | ||||
| 598 | L | 24.3 | Very low | 23.5 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -138.7 | 56.6 | 172.6 | -151.1 | 173.5 | 0 | 0 | 0 | 109.1 | ||||
| 599 | E | 22.5 | Very low | 23.4 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -140.6 | 45.9 | -172.3 | -155.3 | 160.5 | -128.3 | 0 | 0 | 112.7 | ||||
| 600 | S | 23.8 | Very low | 23.6 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -163 | 159.5 | 159.6 | 27.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 601 | L | 24.1 | Very low | 23.7 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 59.8 | 62.9 | -171.3 | -60.1 | 175.8 | 0 | 0 | 0 | 114.6 | ||||
| 602 | R | 23.3 | Very low | 23.6 | Very low | 185 Ų | 185 | 160 Ų | 160 | 70% | 0.698 | 81% | 0.811 | S | S | * | * | trans | -116.2 | 98 | 148.3 | -99.3 | -171.7 | 163.7 | -117.9 | -12.3 | 108.3 | E606 | R602-E606 IonicContact CZ-OE1 3.34Å; R602-E606 IonicContact CZ-OE2 2.86Å; R602-E606 IonicContact NH1-OE1 2.73Å; R602-E606 IonicContact NH1-OE2 2.79Å; R602-E606 PolarHBondContact NH1-OE2 3.18Å; R602-E606 IonicContact NH2-OE1 3.98Å; R602-E606 PolarHBondContact NH2-OE1 3.36Å; R602-E606 IonicContact NH2-OE2 3.27Å; R602-E606 PolarHBondContact NH2-OE2 3.49Å | ||
| 603 | E | 23.5 | Very low | 23.7 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -164.9 | 148.3 | 158.9 | -116.4 | 164.8 | -150.5 | 0 | 0 | 108.6 | ||||
| 604 | I | 24.6 | Very low | 23.7 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 72.9 | 131.4 | -169.3 | -50.5 | 179 | 0 | 0 | 0 | 114 | ||
| 605 | D | 24.2 | Very low | 23.7 | Very low | 159 Ų | 159 | 158.3 Ų | 158.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 61.4 | 42.7 | 174.2 | -65.9 | 9.2 | 0 | 0 | 0 | 118.9 | ||
| 606 | E | 23.8 | Very low | 23.8 | Very low | 142 Ų | 142 | 159.8 Ų | 159.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -120.1 | 102.9 | 140.4 | -89.2 | -176.3 | 176.4 | 0 | 0 | 109.3 | R602 | R602-E606 IonicContact CZ-OE1 3.34Å; R602-E606 IonicContact CZ-OE2 2.86Å; R602-E606 IonicContact NH1-OE1 2.73Å; R602-E606 IonicContact NH1-OE2 2.79Å; R602-E606 PolarHBondContact NH1-OE2 3.18Å; R602-E606 IonicContact NH2-OE1 3.98Å; R602-E606 PolarHBondContact NH2-OE1 3.36Å; R602-E606 IonicContact NH2-OE2 3.27Å; R602-E606 PolarHBondContact NH2-OE2 3.49Å | ||
| 607 | D | 24.6 | Very low | 23.7 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -123.7 | 140.6 | 161.8 | -113.7 | -28.1 | 0 | 0 | 0 | 108.1 | ||||
| 608 | D | 24.4 | Very low | 23.5 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 65 | 46.2 | 174.9 | -80.1 | -11.8 | 0 | 0 | 0 | 120.4 | ||
| 609 | E | 23.4 | Very low | 23.4 | Very low | 200 Ų | 200 | 154 Ų | 154 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -142.1 | 81.8 | 140.2 | -94.5 | -150 | -178.7 | 0 | 0 | 113.9 | ||||
| 610 | E | 25.2 | Very low | 23.4 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -132.2 | 143.8 | 156.7 | -79.9 | -154 | 156.7 | 0 | 0 | 110.1 | ||||
| 611 | S | 25.7 | Very low | 23.5 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -157.4 | 169.4 | -9.9 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 612 | Y | 24.1 | Very low | 23.4 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -63.6 | 162.4 | 171.3 | -75.4 | -95.3 | 0 | 0 | 0 | 113.8 | ||||
| 613 | D | 22.8 | Very low | 23.3 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -172.6 | 161.1 | -21 | -164.2 | 7.2 | 0 | 0 | 0 | 111.9 | ||||
| 614 | V | 23.4 | Very low | 23.3 | Very low | 90 Ų | 90 | 145 Ų | 145 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | trans | 53.6 | 141.9 | 163.3 | -131.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 615 | F | 21.9 | Very low | 23.3 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | 95 | 136.1 | 151.9 | -59.2 | -59.5 | 0 | 0 | 0 | 118.9 | ||||
| 616 | H | 22.7 | Very low | 23.2 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | cis | -158.5 | 137.6 | -6.3 | -130.7 | -25.3 | 0 | 0 | 0 | 111.2 | ||||
| 617 | L | 22.1 | Very low | 23.2 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | 38.5 | 144.1 | 150 | -61.7 | 169.2 | 0 | 0 | 0 | 121 | ||||
| 618 | N | 20 | Very low | 23.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | -167.9 | 163.7 | 26.9 | -136.1 | -16.2 | 0 | 0 | 0 | 112.8 | ||||
| 619 | S | 21.7 | Very low | 22.9 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | 44.4 | 104.6 | 157.5 | 54.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 620 | T | 22.6 | Very low | 22.8 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 82% | 0.816 | 67% | 0.674 | S | S | * | * | 66.1 | 156.3 | 85.1 | 63.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 621 | P | 26.5 | Very low | 22.7 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | cis | -143.9 | 170 | 15.2 | 46.6 | -29.2 | 0 | 0 | 0 | 118.1 | ||||
| 622 | L | 21.6 | Very low | 22.5 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | 62.4 | 150.5 | 157.4 | -56.2 | 155.4 | 0 | 0 | 0 | 118 | ||||
| 623 | Q | 21.7 | Very low | 22.5 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | cis | -158.1 | 153.7 | -6.3 | -126.6 | 175.4 | -15.6 | 0 | 0 | 113.5 | ||||
| 624 | N | 22.7 | Very low | 22.6 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | trans | 53.7 | 105.3 | 147.3 | -62.7 | -6.5 | 0 | 0 | 0 | 122.5 | ||||
| 625 | K | 25 | Very low | 22.5 | Very low | 196 Ų | 196 | 121.2 Ų | 121.2 | 85% | 0.852 | 62% | 0.619 | S | S | * | * | trans | -167.9 | 133.1 | 134.5 | -106.9 | 162.5 | -173.3 | -178.1 | 0 | 107.7 | ||||
| 626 | N | 21.7 | Very low | 22.5 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | cis | 61.9 | 129.9 | 42.6 | -62.7 | 36.9 | 0 | 0 | 0 | 111.2 | ||||
| 627 | I | 23.2 | Very low | 22.5 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | cis | -157.8 | 150.1 | 14.8 | -112.4 | 151.4 | 0 | 0 | 0 | 105.1 | ||||
| 628 | N | 22.8 | Very low | 22.5 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | cis | -163.3 | 168.2 | -9.7 | -101.4 | 16.8 | 0 | 0 | 0 | 105.7 | ||||
| 629 | E | 20 | Very low | 22.6 | Very low | 62 Ų | 62 | 120.6 Ų | 120.6 | 29% | 0.29 | 64% | 0.637 | S | S | . | * | cis | 55.7 | 110 | 3.8 | -25.7 | -117.3 | 118.9 | 0 | 0 | 118.6 | R1972 T1973 S1976 R1980 | E629-R1972 VanDerWaalsContact OE1-C 3.25Å; E629-T1973 WeakPolarHBondContact CA-O 3.5Å; E629-T1973 HydrophobicContact CB-CG2 4.18Å; E629-T1973 HydrophobicContact CG-CG2 3.82Å; E629-T1973 VanDerWaalsContact OE1-CA 3.26Å; E629-T1973 WeakPolarHBondContact OE1-CA 2.9Å; E629-T1973 VanDerWaalsContact OE1-CG2 3.29Å; E629-T1973 WeakPolarHBondContact OE1-CG2 3.31Å; E629-T1973 PolarHBondContact OE1-N 2.99Å; E629-S1976 VanDerWaalsContact CB-CB 3.42Å; E629-S1976 WeakPolarHBondContact CB-OG 3.37Å; E629-S1976 VanDerWaalsContact OE2-CB 3.3Å; E629-S1976 WeakPolarHBondContact OE2-CB 3.3Å; E629-R1980 IonicContact OE2-NH2 3.79Å; E629-R1980 PolarHBondContact OE2-NH2 3.04Å | ||
| 630 | Q | 21.8 | Very low | 22.8 | Very low | 41 Ų | 41 | 121.9 Ų | 121.9 | 19% | 0.192 | 64% | 0.636 | C | S | . | * | -165.8 | 141.1 | -67.3 | -163.3 | -174.9 | -0.4 | 0 | 0 | 108.1 | R1840 R1970 T1973 W1974 | Q630-R1840 PolarHBondContact O-NH2 3.38Å; Q630-R1970 PolarHBondContact NE2-O 2.93Å; Q630-R1970 PolarHBondContact OE1-O 3.32Å; Q630-T1973 VanDerWaalsContact CB-C 3.48Å; Q630-T1973 WeakPolarHBondContact CB-O 3.46Å; Q630-T1973 PolarHBondContact N-O 3.21Å; Q630-T1973 PolarHBondContact OE1-OG1 3.36Å; Q630-W1974 VanDerWaalsContact CD-NE1 3.34Å | |||
| 631 | I | 21.8 | Very low | 22.8 | Very low | 65 Ų | 65 | 119.9 Ų | 119.9 | 33% | 0.333 | 63% | 0.628 | S | S | . | * | trans | 55.5 | 137.2 | 155.2 | -69.8 | 165.5 | 0 | 0 | 0 | 119 | E1836 R1840 E1977 | I631-E1836 VanDerWaalsContact CD1-OE1 3.29Å; I631-E1836 WeakPolarHBondContact CD1-OE1 3.16Å; I631-R1840 PolarHBondContact O-NH1 2.92Å; I631-R1840 PolarHBondContact O-NH2 3.05Å; I631-E1977 VanDerWaalsContact O-OE2 3.1Å | ||
| 632 | F | 21.6 | Very low | 22.8 | Very low | 171 Ų | 171 | 118.1 Ų | 118.1 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | trans | -79.9 | 146.7 | 156.1 | -104.3 | -121.1 | 0 | 0 | 0 | 108.6 | ||||
| 633 | H | 24.1 | Very low | 23.1 | Very low | 66 Ų | 66 | 113 Ų | 113 | 31% | 0.306 | 59% | 0.589 | S | S | . | * | trans | -179.4 | 108.1 | 137.9 | -87 | -37.5 | 0 | 0 | 0 | 108.9 | Y1837 N1841 Q1844 | H633-Y1837 HydrophobicContact CB-CD1 4.49Å; H633-Y1837 HydrophobicContact CB-CE1 4.25Å; H633-Y1837 AromaticContact CD2-CD2 3.21Å; H633-Y1837 WeakPolarHBondContact CD2-CD2 3.26Å; H633-Y1837 AromaticContact CD2-CE2 3.41Å; H633-Y1837 VanDerWaalsContact CD2-CE2 3.41Å; H633-Y1837 WeakPolarHBondContact CD2-CE2 3.39Å; H633-Y1837 AromaticContact CD2-CG 3.58Å; H633-Y1837 AromaticContact CD2-CZ 3.9Å; H633-Y1837 AromaticContact CE1-CD2 3.69Å; H633-Y1837 AromaticContact CE1-CE2 3.13Å; H633-Y1837 WeakPolarHBondContact CE1-CE2 3.33Å; H633-Y1837 AromaticContact CE1-CZ 3.69Å; H633-Y1837 AromaticContact CG-CD2 3.76Å; H633-Y1837 AromaticContact CG-CE1 3.86Å; H633-Y1837 AromaticContact CG-CE2 3.52Å; H633-Y1837 AromaticContact CG-CZ 3.53Å; H633-Y1837 AromaticContact ND1-CD2 3.98Å; H633-Y1837 AromaticContact ND1-CE2 3.31Å; H633-Y1837 VanDerWaalsContact ND1-CE2 3.31Å; H633-Y1837 WeakPolarHBondContact ND1-CE2 3.42Å; H633-Y1837 AromaticContact ND1-CZ 3.34Å; H633-Y1837 VanDerWaalsContact ND1-CZ 3.34Å; H633-Y1837 PolarHBondContact ND1-OH 3.17Å; H633-Y1837 AromaticContact NE2-CD2 3.21Å; H633-Y1837 WeakPolarHBondContact NE2-CD2 3.47Å; H633-Y1837 AromaticContact NE2-CE2 3.2Å; H633-Y1837 WeakPolarHBondContact NE2-CE2 3.33Å; H633-N1841 WeakPolarHBondContact CB-OD1 3.41Å; H633-N1841 PolarHBondContact O-OD1 2.98Å; H633-Q1844 PolarHBondContact O-OE1 3.41Å | ||
| 634 | T | 25.2 | Very low | 23.7 | Very low | 72 Ų | 72 | 107.9 Ų | 107.9 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | 75.6 | 114.9 | 94.9 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | Y1837 N1841 | T634-Y1837 PolarHBondContact OG1-OH 3.5Å; T634-Y1837 VanDerWaalsContact OG1-OH 3.05Å; T634-N1841 PolarHBondContact O-ND2 2.96Å; T634-N1841 PolarHBondContact OG1-ND2 3.29Å; T634-N1841 VanDerWaalsContact OG1-ND2 3.1Å | |||
| 635 | Q | 21.4 | Very low | 23.9 | Very low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 56% | 0.562 | S | S | * | * | trans | -110.6 | 108.9 | 142.4 | -70.4 | -158.1 | -80.2 | 0 | 0 | 107.5 | ||||
| 636 | D | 21.7 | Very low | 24 | Very low | 165 Ų | 165 | 105 Ų | 105 | 88% | 0.882 | 56% | 0.56 | S | S | * | * | trans | -143.9 | 113.6 | 133.2 | -97.7 | -35.9 | 0 | 0 | 0 | 105.4 | ||||
| 637 | E | 23.4 | Very low | 24.2 | Very low | 161 Ų | 161 | 105.3 Ų | 105.3 | 75% | 0.752 | 56% | 0.561 | S | S | * | * | trans | -147.1 | 133.1 | 171 | -96 | -170.7 | -173.3 | 0 | 0 | 108.2 | ||||
| 638 | C | 21.3 | Very low | 24.3 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | trans | -141.9 | 106.4 | 172.1 | -87.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 639 | T | 23.3 | Very low | 24.9 | Very low | 128 Ų | 128 | 103 Ų | 103 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | trans | 69.2 | 162.7 | 149.6 | 62.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 640 | L | 24.8 | Very low | 25.3 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | cis | -144.4 | 173.4 | 27.3 | -84 | 166.7 | 0 | 0 | 0 | 114.3 | K525 | K525-L640 HydrophobicContact CD-CD1 3.66Š| ||
| 641 | S | 24 | Very low | 25.5 | Very low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | trans | -149.2 | 150.1 | 159.5 | 59.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 642 | D | 25.2 | Very low | 25.8 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 35% | 0.353 | 64% | 0.638 | S | S | . | * | trans | -152.8 | 118.7 | -162.7 | -118.5 | -42.8 | 0 | 0 | 0 | 117 | K525 T562 | K525-D642 IonicContact NZ-OD2 2.86Å; K525-D642 PolarHBondContact NZ-OD2 3.05Å; T562-D642 WeakPolarHBondContact CA-O 3.43Å | ||
| 643 | S | 29.5 | Very low | 26.1 | Very low | 39 Ų | 39 | 114.3 Ų | 114.3 | 27% | 0.273 | 64% | 0.635 | S | S | . | * | 55.4 | 128.3 | 126.9 | -60 | 0 | 0 | 0 | 0 | 123.9 | V561 | V561-S643 CarbonylContact O-C 3.49Å; V561-S643 WeakPolarHBondContact O-CA 3.49Å | |||
| 644 | P | 33.5 | Very low | 26.2 | Very low | 39 Ų | 39 | 115.6 Ų | 115.6 | 25% | 0.253 | 65% | 0.648 | S | S | . | * | -146.9 | 143 | 69.3 | 37.9 | -19 | 0 | 0 | 0 | 122 | V561 | V561-P644 WeakPolarHBondContact O-CD 3.36Š| |||
| 645 | I | 28 | Very low | 26.3 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 54% | 0.538 | 66% | 0.664 | S | S | . | * | 45.6 | 133 | 110.7 | -43.6 | 158.2 | 0 | 0 | 0 | 122.1 | L647 | I645-L647 HydrophobicContact CG2-CD1 4.4Å; I645-L647 HydrophobicContact CG2-CG 4.25Å | |||
| 646 | I | 27.1 | Very low | 26.6 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 81% | 0.805 | 66% | 0.661 | S | S | * | * | 175.2 | 166.9 | 128.1 | -93.9 | 167.9 | 0 | 0 | 0 | 111.2 | |||||
| 647 | L | 25.9 | Very low | 26.6 | Very low | 136 Ų | 136 | 115.5 Ų | 115.5 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | -155.6 | 149.8 | -78.7 | -119.2 | 177.7 | 0 | 0 | 0 | 114.3 | I645 | I645-L647 HydrophobicContact CG2-CD1 4.4Å; I645-L647 HydrophobicContact CG2-CG 4.25Å | |||
| 648 | S | 24.9 | Very low | 26.9 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | 74.1 | 168.5 | 153.8 | 88.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 649 | P | 35 | Very low | 27.1 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 69% | 0.688 | 65% | 0.654 | S | S | * | * | cis | -133.5 | -175.9 | -4.9 | 42.7 | -26.5 | 0 | 0 | 0 | 116.7 | ||||
| 650 | L | 28.2 | Very low | 27.1 | Very low | 153 Ų | 153 | 116.2 Ų | 116.2 | 80% | 0.801 | 65% | 0.649 | S | S | * | * | trans | 76.8 | 118.5 | 167.2 | -59.4 | 166.3 | 0 | 0 | 0 | 117.1 | ||||
| 651 | C | 26.8 | Very low | 27.1 | Very low | 117 Ų | 117 | 119 Ų | 119 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | cis | 88.7 | 152.5 | 29.7 | -56.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 652 | R | 27.2 | Very low | 26.9 | Very low | 210 Ų | 210 | 121.6 Ų | 121.6 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | cis | -122.1 | -142.6 | -1.4 | -147.3 | 176.1 | -175.1 | 163.6 | 1.1 | 107.5 | T654 | R652-T654 HydrophobicContact CG-CG2 4.34Š| ||
| 653 | S | 28.3 | Very low | 26.9 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | cis | -172.4 | 148.4 | -6.2 | 21.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 654 | T | 25.6 | Very low | 26.5 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 57% | 0.571 | 72% | 0.715 | S | S | * | * | cis | -163.1 | -169.3 | -13.3 | 16.3 | 0 | 0 | 0 | 0 | 107 | R652 | R652-T654 HydrophobicContact CG-CG2 4.34Š| ||
| 655 | E | 26.8 | Very low | 25.9 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 73.2 | 159.3 | 160.5 | -63.8 | 176.1 | -116.9 | 0 | 0 | 117.3 | ||||
| 656 | N | 28.2 | Very low | 25.7 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -139 | -172.4 | -12.8 | -138.2 | -54.7 | 0 | 0 | 0 | 111.2 | ||||
| 657 | S | 21.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -138 | -170.6 | -174.6 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 658 | P | 30.8 | Very low | 25.4 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | cis | -135.1 | -154.5 | 5.7 | 43.8 | -23.2 | 0 | 0 | 0 | 115.2 | ||||
| 659 | Q | 25.6 | Very low | 25.5 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -106 | 175.3 | -168.3 | -65.7 | 170.5 | -111.1 | 0 | 0 | 115.5 | ||||
| 660 | D | 23.6 | Very low | 25.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | 100.4 | 118.8 | 141.6 | -76 | -7.2 | 0 | 0 | 0 | 123.3 | ||||
| 661 | F | 23.3 | Very low | 25.1 | Very low | 175 Ų | 175 | 134 Ų | 134 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | trans | 60.8 | 134.1 | 142 | -91.1 | -88 | 0 | 0 | 0 | 123.8 | ||||
| 662 | T | 20.9 | Very low | 25.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 68 | 162.6 | 172.1 | 76.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 663 | G | 24.4 | Very low | 25.1 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | 114 | 78.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 664 | N | 21.5 | Very low | 25.1 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -80.6 | 123.1 | 173.2 | -127.8 | -7.2 | 0 | 0 | 0 | 110.4 | ||||
| 665 | I | 21.5 | Very low | 25.1 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | 66 | 131 | 150 | -46.2 | 157.4 | 0 | 0 | 0 | 117.6 | ||||
| 666 | V | 23.9 | Very low | 24.9 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | 167.3 | 122.8 | 121.5 | 160.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 667 | K | 21.7 | Very low | 24.7 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | 8 | 146.9 | 144.7 | -44.3 | 178.1 | -177.4 | 177.7 | 0 | 118.2 | ||||
| 668 | S | 24.1 | Very low | 24.9 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -156.2 | 166 | 30.2 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 669 | N | 27.7 | Very low | 24.5 | Very low | 76 Ų | 76 | 131 Ų | 131 | 41% | 0.406 | 73% | 0.728 | S | S | . | * | trans | -67.6 | 128.9 | 158.8 | -155.6 | 10.9 | 0 | 0 | 0 | 110.3 | Q671 V672 D673 | N669-Q671 VanDerWaalsContact OD1-CA 3.27Å; N669-Q671 WeakPolarHBondContact OD1-CA 3.32Å; N669-Q671 PolarHBondContact OD1-N 2.98Å; N669-V672 PolarHBondContact ND2-O 3.32Å; N669-D673 WeakPolarHBondContact CB-OD1 3.19Å; N669-D673 PolarHBondContact ND2-OD1 3.49Å | ||
| 670 | F | 27.6 | Very low | 24.3 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -124 | 117.2 | 131 | -100.1 | -88.4 | 0 | 0 | 0 | 104.9 | ||
| 671 | Q | 26.8 | Very low | 24.2 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -157.2 | 160 | -17.5 | -127.5 | 179.5 | -17.4 | 0 | 0 | 106.5 | N669 | N669-Q671 VanDerWaalsContact OD1-CA 3.27Å; N669-Q671 WeakPolarHBondContact OD1-CA 3.32Å; N669-Q671 PolarHBondContact OD1-N 2.98Å |
| 672 | V | 30.9 | Very low | 24.2 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | cis | -133.3 | 177.2 | 24.5 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | N669 | N669-V672 PolarHBondContact ND2-O 3.32Š| ||
| 673 | D | 22.7 | Very low | 24.2 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 46% | 0.455 | 72% | 0.719 | S | S | . | * | trans | -128.4 | 145.1 | -141.7 | -56.9 | -77.7 | 0 | 0 | 0 | 117.3 | N669 V675 | N669-D673 WeakPolarHBondContact CB-OD1 3.19Å; N669-D673 PolarHBondContact ND2-OD1 3.49Å; D673-V675 HydrophobicContact CB-CG2 4.17Å | ||
| 674 | S | 28.5 | Very low | 24.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -167 | 108.3 | 146.2 | 56.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 675 | V | 25.3 | Very low | 24.4 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | cis | 87.7 | 121.8 | 37.9 | -177 | 0 | 0 | 0 | 0 | 113.6 | D673 | D673-V675 HydrophobicContact CB-CG2 4.17Š| ||
| 676 | S | 22.6 | Very low | 24.5 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | 62.4 | 152 | 163.1 | 60.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 677 | D | 24.6 | Very low | 24.6 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | cis | -171 | 158.3 | -20.7 | -92.9 | -27.1 | 0 | 0 | 0 | 106.1 | ||||
| 678 | V | 25.1 | Very low | 24.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | cis | -147.7 | 164.9 | 0.7 | 102.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 679 | L | 22 | Very low | 24.7 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -94.5 | 175.4 | 178.8 | -90.2 | 163.2 | 0 | 0 | 0 | 113.3 | ||||
| 680 | F | 22.3 | Very low | 24.5 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 2.9 | 120.4 | 156.6 | -90.4 | -104.3 | 0 | 0 | 0 | 118.5 | ||||
| 681 | D | 21 | Very low | 24.4 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | -146.7 | 139.6 | 107.7 | -94.5 | -39.4 | 0 | 0 | 0 | 106.9 | |||||
| 682 | S | 23.6 | Very low | 24.4 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 46% | 0.462 | 74% | 0.738 | S | S | . | * | cis | 60.3 | 88.7 | 28.7 | 65.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 683 | W | 20.8 | Very low | 24.4 | Very low | 242 Ų | 242 | 126.8 Ų | 126.8 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | -177 | 168.1 | 133.6 | -92.9 | 4.6 | 0 | 0 | 0 | 112.5 | ||||
| 684 | S | 22.7 | Very low | 24.4 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 51.7 | 102.5 | 175.5 | 44.7 | 0 | 0 | 0 | 0 | 114.6 | E686 | S684-E686 VanDerWaalsContact C-N 3.33Š| ||
| 685 | S | 27.3 | Very low | 24 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | cis | 57.8 | 36.3 | 30.6 | 99.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 686 | E | 23.3 | Very low | 24.4 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -128.9 | 146.1 | 155.5 | -106.6 | 164.3 | -156.8 | 0 | 0 | 110.3 | S684 | S684-E686 VanDerWaalsContact C-N 3.33Š| ||
| 687 | S | 24.7 | Very low | 24.7 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -6.1 | 162.7 | 156.2 | 43.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 688 | D | 24.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | 67.1 | 78.5 | 167.3 | -53 | -30.6 | 0 | 0 | 0 | 114.8 | ||||
| 689 | T | 24.6 | Very low | 24.6 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | -165.2 | 48.9 | 85.3 | 24.3 | 0 | 0 | 0 | 0 | 114.5 | K691 | T689-K691 PolarHBondContact O-N 3.26Š| |||
| 690 | S | 24.2 | Very low | 24.8 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -79.4 | 53.1 | 166.5 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | S692 | S690-S692 PolarHBondContact O-OG 3.12Å; S690-S692 VanDerWaalsContact O-OG 3.09Å | ||
| 691 | K | 25.1 | Very low | 25.1 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | trans | -121.6 | 114.7 | 161.7 | -73.2 | -167.5 | 178.1 | -173.9 | 0 | 108.5 | T689 C695 | T689-K691 PolarHBondContact O-N 3.26Å; K691-C695 PolarHBondContact NZ-SG 2.82Å | ||
| 692 | S | 26.1 | Very low | 25.1 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | 59.7 | 75.1 | 24.3 | 97.6 | 0 | 0 | 0 | 0 | 111.8 | S690 | S690-S692 PolarHBondContact O-OG 3.12Å; S690-S692 VanDerWaalsContact O-OG 3.09Å | ||
| 693 | G | 30.6 | Very low | 25 | Very low | 54 Ų | 54 | 124.8 Ų | 124.8 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 83.8 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 694 | N | 23.2 | Very low | 25.2 | Very low | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | cis | 10.2 | 90.2 | 27.4 | -80.9 | 28 | 0 | 0 | 0 | 115.6 | ||||
| 695 | C | 20.5 | Very low | 25.3 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 57% | 0.568 | 72% | 0.715 | S | S | * | * | cis | 40.4 | 50.2 | 29.8 | -94.1 | 0 | 0 | 0 | 0 | 110 | K691 P697 | K691-C695 PolarHBondContact NZ-SG 2.82Å; C695-P697 WeakPolarHBondContact O-CD 3.39Å | ||
| 696 | I | 33.1 | Very low | 25.1 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 57% | 0.574 | 71% | 0.71 | S | S | * | * | trans | -49.2 | 134.3 | 179.4 | -10.4 | 173.1 | 0 | 0 | 0 | 108.8 | Q698 | I696-Q698 HydrophobicContact CB-CB 4.09Å; I696-Q698 WeakPolarHBondContact O-CB 3.49Å | ||
| 697 | P | 28.2 | Very low | 25.2 | Very low | 95 Ų | 95 | 122 Ų | 122 | 62% | 0.617 | 71% | 0.708 | S | S | * | * | trans | -85 | 97.3 | 131.9 | 31.1 | -20.5 | 0 | 0 | 0 | 105.6 | C695 | C695-P697 WeakPolarHBondContact O-CD 3.39Š| ||
| 698 | Q | 24.9 | Very low | 25.2 | Very low | 151 Ų | 151 | 122 Ų | 122 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | cis | 44.2 | 111.1 | 40.3 | -113.1 | -175.9 | 0.2 | 0 | 0 | 112 | I696 | I696-Q698 HydrophobicContact CB-CB 4.09Å; I696-Q698 WeakPolarHBondContact O-CB 3.49Å | ||
| 699 | V | 23.8 | Very low | 25.1 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | 65 | 102.3 | -155.7 | -165.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 700 | D | 26.9 | Very low | 25.1 | Very low | 160 Ų | 160 | 120 Ų | 120 | 86% | 0.856 | 70% | 0.696 | S | S | * | * | S | Bend | cis | -124.4 | 174 | 15.6 | -73.8 | -58.8 | 0 | 0 | 0 | 113.7 | ||
| 701 | G | 28 | Very low | 25.1 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | 111.8 | 30.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 702 | N | 21 | Very low | 25.1 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -75.7 | 148.1 | 168.5 | -143.5 | 21.5 | 0 | 0 | 0 | 110.1 | ||||
| 703 | V | 22 | Very low | 25.1 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 62% | 0.624 | 70% | 0.698 | S | S | * | * | trans | 31.1 | 103.9 | 154.3 | -174.1 | 0 | 0 | 0 | 0 | 117.9 | T705 | V703-T705 HydrophobicContact CG1-CG2 4.05Š| ||
| 704 | D | 24.8 | Very low | 25 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | -161.5 | 118 | 116 | -96.1 | -33.6 | 0 | 0 | 0 | 107.7 | |||||
| 705 | T | 23.8 | Very low | 25.4 | Very low | 93 Ų | 93 | 125 Ų | 125 | 57% | 0.571 | 71% | 0.711 | S | S | * | * | 73.2 | 151.6 | 69.2 | 76 | 0 | 0 | 0 | 0 | 113.8 | V703 | V703-T705 HydrophobicContact CG1-CG2 4.05Š| |||
| 706 | F | 22.8 | Very low | 25.7 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 77% | 0.772 | 72% | 0.717 | S | S | * | * | trans | 40.8 | 103.4 | 173.2 | -58.8 | -75.9 | 0 | 0 | 0 | 118.1 | ||||
| 707 | H | 26.4 | Very low | 25.4 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | -173.1 | 127.1 | 105.7 | -93.1 | -68.2 | 0 | 0 | 0 | 106.3 | |||||
| 708 | T | 23.8 | Very low | 25.3 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | 44.1 | 142.2 | 86.9 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 709 | D | 23.5 | Very low | 25.4 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 46.9 | 125.7 | 136.3 | -51.8 | -10.5 | 0 | 0 | 0 | 117.5 | ||||
| 710 | S | 24.6 | Very low | 25.4 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | cis | 169.5 | -170.8 | 20.8 | 46.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 711 | D | 24.5 | Very low | 25.4 | Very low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | 9.6 | 133.3 | 123.6 | -41.7 | -27.3 | 0 | 0 | 0 | 115.7 | |||||
| 712 | G | 25.7 | Very low | 25.3 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | cis | 154 | -167.3 | 43.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 713 | D | 24.2 | Very low | 25.3 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | cis | -132.5 | 156.8 | -3.1 | -77.7 | -55.6 | 0 | 0 | 0 | 106.5 | ||||
| 714 | N | 30.1 | Very low | 25.4 | Very low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | -178.5 | 140.6 | 77.7 | -94.5 | -83.2 | 0 | 0 | 0 | 113.7 | |||||
| 715 | Q | 30 | Very low | 25.3 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | 71.6 | 131.4 | 138.2 | -62.4 | 166.1 | 35.7 | 0 | 0 | 121.3 | ||||
| 716 | G | 28.7 | Very low | 25.3 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | 111.8 | 65.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 717 | S | 25.4 | Very low | 25.2 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | 74.2 | 136.6 | 70.6 | 82.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 718 | S | 25.9 | Very low | 25.1 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | trans | 74.7 | 124.9 | 153.7 | 62.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 719 | T | 26.5 | Very low | 25.2 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | 67.4 | 146.8 | 141.5 | 49.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 720 | S | 25.3 | Very low | 25.2 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -177.8 | 159.2 | 1.3 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 721 | I | 26.4 | Very low | 25.1 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | cis | -163.8 | 138.9 | -7.8 | -108.6 | 168.3 | 0 | 0 | 0 | 110 | ||||
| 722 | Y | 25.7 | Very low | 25.1 | Very low | 218 Ų | 218 | 123.4 Ų | 123.4 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | 61.6 | 168.9 | 154.4 | -83.1 | -104.2 | 0 | 0 | 0 | 124.2 | ||||
| 723 | S | 21.3 | Very low | 25.1 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -129.1 | 169.2 | -165.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 724 | S | 23.2 | Very low | 25.1 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | 37.7 | 115.5 | 147 | 59.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 725 | N | 23.2 | Very low | 24.9 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | 173.4 | 159.8 | 113.9 | -91.3 | -14.5 | 0 | 0 | 0 | 117.1 | |||||
| 726 | T | 24.3 | Very low | 24.8 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | trans | 63.6 | 112.6 | 148.9 | 44.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 727 | T | 21.1 | Very low | 24.5 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | 37.9 | 135.6 | 127.8 | 61.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 728 | V | 24.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 165.4 | 119.5 | 126.4 | 152.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 729 | V | 24.5 | Very low | 24.7 | Very low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | 48.1 | 131.9 | 134.4 | -170.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 730 | K | 24.1 | Very low | 24.5 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 74.1 | 141.5 | 151.9 | -81.6 | 167.7 | -169.8 | 174.3 | 0 | 123.5 | ||||
| 731 | A | 21.6 | Very low | 24.4 | Very low | 82 Ų | 82 | 149 Ų | 149 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -34.8 | 177.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 732 | T | 25 | Very low | 24.2 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 80.2 | 106.6 | -179.6 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 733 | S | 25.3 | Very low | 24 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 80.2 | 137.7 | 89.4 | 82.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 734 | E | 25 | Very low | 24.2 | Very low | 143 Ų | 143 | 154 Ų | 154 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | cis | -161.9 | 173.7 | 4.7 | -147.1 | -178.6 | -126.6 | 0 | 0 | 110.4 | ||||
| 735 | R | 26.3 | Very low | 24.2 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 75% | 0.751 | 76% | 0.758 | S | S | * | * | trans | 72.1 | 104.4 | 158.4 | -63.6 | 175.7 | -160 | -157.7 | -1 | 121.6 | ||||
| 736 | N | 26.9 | Very low | 24.2 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | 73.2 | 104.7 | 119 | -68.3 | -39.3 | 0 | 0 | 0 | 123 | |||||
| 737 | R | 22.5 | Very low | 24.1 | Very low | 229 Ų | 229 | 153.8 Ų | 153.8 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | 64 | 157.2 | 123.6 | -64.2 | -179.9 | 174.5 | -170.6 | -1.3 | 119.8 | |||||
| 738 | P | 31.1 | Very low | 24.2 | Very low | 105 Ų | 105 | 155 Ų | 155 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | cis | -140.4 | 176.2 | -45.9 | 38.5 | -21.3 | 0 | 0 | 0 | 114 | ||||
| 739 | R | 24.8 | Very low | 24.1 | Very low | 229 Ų | 229 | 156.3 Ų | 156.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | 111 | 117.6 | 156.2 | -64.1 | 171.2 | 168.8 | 173.4 | -2 | 119.2 | ||||
| 740 | K | 22.2 | Very low | 24 | Very low | 194 Ų | 194 | 162 Ų | 162 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 59.4 | 126 | 133.4 | -71.8 | -173.7 | 174.3 | 179 | 0 | 122.2 | ||||
| 741 | R | 22.7 | Very low | 23.9 | Very low | 220 Ų | 220 | 161.8 Ų | 161.8 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 91.8 | 112.9 | 140.1 | -81.2 | -176.2 | 168.6 | -177.3 | -2 | 120.8 | ||||
| 742 | R | 22.5 | Very low | 24.7 | Very low | 213 Ų | 213 | 163.3 Ų | 163.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 120.1 | 131.4 | -82.6 | -172.6 | 166.4 | -173.9 | -5.7 | 121 | ||||
| 743 | R | 22.4 | Very low | 24.6 | Very low | 205 Ų | 205 | 164.4 Ų | 164.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 111.1 | 118 | 126.1 | -92.4 | -171.6 | 162.8 | -179.2 | -7.6 | 118.5 | |||||
| 744 | L | 24 | Very low | 24.4 | Very low | 139 Ų | 139 | 164.1 Ų | 164.1 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 130.1 | 145.6 | -51.8 | 166.3 | 0 | 0 | 0 | 116.5 | ||||
| 745 | S | 23.4 | Very low | 24.3 | Very low | 92 Ų | 92 | 161.9 Ų | 161.9 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | 74.5 | 133.9 | 27.3 | 87 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 746 | L | 24.7 | Very low | 24.2 | Very low | 146 Ų | 146 | 158 Ų | 158 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | -149 | 161 | 9.1 | -109.1 | 141.1 | 0 | 0 | 0 | 108.7 | ||||
| 747 | C | 21.6 | Very low | 24 | Very low | 109 Ų | 109 | 159.8 Ų | 159.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | -180 | 132.1 | 93.5 | -91.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 748 | L | 22.7 | Very low | 24.3 | Very low | 151 Ų | 151 | 155.2 Ų | 155.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 67.4 | 113.9 | 92.4 | -69.1 | 174.8 | 0 | 0 | 0 | 117.1 | |||||
| 749 | L | 22.8 | Very low | 24 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -162.5 | 124.9 | 150.1 | -113.8 | 170 | 0 | 0 | 0 | 112.9 | ||||
| 750 | R | 23.2 | Very low | 24 | Very low | 234 Ų | 234 | 151 Ų | 151 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 31 | 147.3 | 155.7 | -71.9 | 172.2 | -175.9 | 173.9 | -0.5 | 124.7 | ||||
| 751 | K | 22.2 | Very low | 24.2 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -113.7 | -171.9 | 152.4 | -72.9 | -173 | 173.6 | -174.4 | 0 | 107.8 | ||||
| 752 | P | 37.1 | Very low | 24.2 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | -128.3 | -162 | -65.1 | 41.1 | -24.5 | 0 | 0 | 0 | 111.3 | |||||
| 753 | I | 23 | Very low | 24.2 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 138.7 | 103.7 | 161.9 | -78 | 163.5 | 0 | 0 | 0 | 107.8 | ||||
| 754 | S | 22 | Very low | 24.3 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | 71.8 | 161.1 | 107.3 | 91 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 755 | T | 23.3 | Very low | 24.2 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | cis | -144.6 | 174.2 | 14.6 | -29.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 756 | T | 23 | Very low | 24.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -23.9 | 156.3 | 169.8 | 50.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 757 | Q | 23.8 | Very low | 24.1 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -172.3 | 167.7 | 74.7 | -113.1 | -172.7 | 19.4 | 0 | 0 | 116.7 | |||||
| 758 | I | 28.8 | Very low | 24.2 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 68% | 0.677 | 75% | 0.751 | S | S | * | * | trans | 84.2 | 85.4 | 151.4 | -70.1 | 163.4 | 0 | 0 | 0 | 121.2 | ||||
| 759 | T | 22.8 | Very low | 24.2 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | 49.3 | 146.3 | 124.2 | 67.9 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 760 | N | 25 | Very low | 24.3 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 76.6 | 144.5 | 144.8 | -67.5 | -3.9 | 0 | 0 | 0 | 119.2 | ||||
| 761 | T | 26.2 | Very low | 24.4 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | cis | -153.9 | 176.9 | -4.4 | 5.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 762 | Q | 23.5 | Very low | 24.6 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -77.6 | 173.1 | -178 | -59.2 | 162.1 | -53.5 | 0 | 0 | 114.8 | ||||
| 763 | S | 23.6 | Very low | 24.1 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 16.9 | 145.7 | 146.5 | 56.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 764 | S | 24.2 | Very low | 24.2 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -169.9 | 165 | -9 | 58 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 765 | C | 22.2 | Very low | 24.3 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | 60.6 | 147.9 | 156.8 | -80.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 766 | T | 22.8 | Very low | 24.6 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | 69.8 | 94.6 | 151.5 | 41.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 767 | T | 23 | Very low | 24.8 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 75.2 | 141.4 | 126.6 | 49.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 768 | T | 23.4 | Very low | 24.7 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | 51.4 | 116.1 | 155.2 | 48.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 769 | S | 23.2 | Very low | 24.4 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | 153.5 | 165.3 | 26.7 | 49.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 770 | I | 24.9 | Very low | 24.5 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | 69.8 | 142.4 | 147.5 | -76.1 | 162.6 | 0 | 0 | 0 | 118.3 | ||||
| 771 | V | 25 | Very low | 24.4 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | cis | -166.5 | 155.5 | -30.6 | 77.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 772 | S | 25.5 | Very low | 24.3 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | 70.6 | 168.4 | 156.8 | 83.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 773 | S | 26.9 | Very low | 24.4 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | cis | -142.9 | 133.7 | 13.5 | 63.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 774 | C | 24.4 | Very low | 24.4 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | S | Bend | -132.3 | 130.9 | 118.2 | -101.7 | 0 | 0 | 0 | 0 | 109 | |||
| 775 | S | 26 | Very low | 24.2 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -16.3 | 144.9 | 163.5 | 58.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 776 | S | 27.9 | Very low | 24.4 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | cis | -152.1 | 159.2 | 29.5 | -56.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 777 | S | 27.1 | Very low | 24.4 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -28.7 | 137.9 | 162.4 | 50.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 778 | S | 21.9 | Very low | 24.6 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | cis | 77.6 | 151.9 | 44.6 | -53 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 779 | L | 24.2 | Very low | 24.5 | Very low | 141 Ų | 141 | 120 Ų | 120 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 80.7 | 112.8 | -179.3 | -51.5 | 176.2 | 0 | 0 | 0 | 113.8 | ||||
| 780 | R | 23.8 | Very low | 24.8 | Very low | 213 Ų | 213 | 121 Ų | 121 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | 101.3 | 147.2 | 88 | -85.5 | -172 | 175.3 | -168.3 | 0.4 | 110 | |||||
| 781 | L | 22.8 | Very low | 24.9 | Very low | 129 Ų | 129 | 120 Ų | 120 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | cis | -168.6 | 175 | -14.2 | -123.3 | 176.3 | 0 | 0 | 0 | 107.2 | ||||
| 782 | N | 24.9 | Very low | 25 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | 67.5 | 150.2 | 161.4 | -69.6 | 40.4 | 0 | 0 | 0 | 116.3 | ||||
| 783 | D | 25.3 | Very low | 25.2 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | cis | -154.8 | 169.6 | -4.6 | -112.8 | -14.9 | 0 | 0 | 0 | 113.3 | ||||
| 784 | S | 23.2 | Very low | 25 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 57% | 0.566 | 71% | 0.713 | S | S | * | * | trans | -25.5 | 162.2 | 151.2 | 55 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 785 | D | 21 | Very low | 25 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | cis | -172.2 | 156.7 | -10.4 | -98.5 | -35.7 | 0 | 0 | 0 | 106.6 | ||||
| 786 | T | 26.2 | Very low | 24.9 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | trans | 165.7 | 114.6 | 144.4 | 40.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 787 | S | 21.7 | Very low | 24.7 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | 66.2 | 100.1 | 68.6 | 83.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 788 | V | 26.7 | Very low | 24.4 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | 175.9 | 99.9 | 154.2 | 142.1 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 789 | S | 22.2 | Very low | 24.5 | Very low | 88 Ų | 88 | 125.1 Ų | 125.1 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | 49.1 | 121.5 | 81.5 | 77.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 790 | T | 29 | Very low | 24.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | -174.3 | 158.6 | 59.8 | 43.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 791 | D | 26.8 | Very low | 24.8 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | 68 | 157.6 | 136 | -77.2 | 37.6 | 0 | 0 | 0 | 119.9 | ||||
| 792 | N | 27.5 | Very low | 24.9 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | cis | -166.5 | -171 | -31.9 | -121.1 | -34 | 0 | 0 | 0 | 107 | ||||
| 793 | V | 28.9 | Very low | 25 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | trans | 42.3 | 90.5 | 143 | 170.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 794 | S | 23.4 | Very low | 25.1 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | 68 | 165.7 | 74.3 | 86.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 795 | L | 24.3 | Very low | 25.2 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | 74.9 | 127.6 | 171.9 | -70.6 | 159 | 0 | 0 | 0 | 118.5 | ||||
| 796 | D | 23.6 | Very low | 25.5 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 58% | 0.583 | 70% | 0.696 | S | S | * | * | trans | 61.7 | 124.5 | 140.3 | -86.1 | -5.1 | 0 | 0 | 0 | 122.7 | ||||
| 797 | K | 23.4 | Very low | 25.6 | Very low | 157 Ų | 157 | 123 Ų | 123 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | 49.9 | 131.5 | 125.2 | -55.9 | 176.6 | -175.9 | 80.4 | 0 | 119.2 | |||||
| 798 | S | 22.6 | Very low | 25.7 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | trans | 67.5 | 120.3 | 151.5 | 50.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 799 | T | 23.6 | Very low | 25.7 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -24.5 | 149.5 | 137.7 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 800 | P | 29 | Very low | 25.8 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | -159.2 | -175.7 | 51.3 | 44 | -22.5 | 0 | 0 | 0 | 118.9 | |||||
| 801 | I | 24.6 | Very low | 25.6 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | trans | 63.4 | 106.7 | 143.2 | -76.5 | 159.8 | 0 | 0 | 0 | 117 | ||||
| 802 | I | 25.6 | Very low | 25.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | 63.4 | 122 | 68.7 | -57.9 | 160.8 | 0 | 0 | 0 | 112.8 | |||||
| 803 | N | 27.1 | Very low | 25.3 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 42% | 0.422 | 68% | 0.675 | S | S | . | * | 174.6 | 119.2 | 122.5 | -100.9 | -72.3 | 0 | 0 | 0 | 113.7 | |||||
| 804 | R | 26.1 | Very low | 25.2 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | S | Bend | -170.4 | 114.6 | 112.5 | -97.1 | 170.9 | -176.4 | 175.1 | 2.6 | 106.1 | |||
| 805 | N | 25.6 | Very low | 25.4 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | S | Bend | cis | -137.9 | 157 | 13.4 | -60.7 | -50.6 | 0 | 0 | 0 | 108.8 | ||
| 806 | Q | 27.4 | Very low | 25.3 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | cis | -171.2 | 166.7 | -8.3 | -106 | 172 | -18.4 | 0 | 0 | 106.9 | ||||
| 807 | S | 27.9 | Very low | 25.3 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | -170.4 | 117.5 | -55.4 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 808 | V | 24.7 | Very low | 25.4 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 55% | 0.552 | 69% | 0.693 | S | S | * | * | trans | 69.4 | 156.8 | 133.7 | -170.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 809 | F | 27.1 | Very low | 25.5 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | trans | 97.2 | 145.3 | 169.8 | -71.6 | -77.3 | 0 | 0 | 0 | 119.4 | ||||
| 810 | Q | 23.6 | Very low | 25.5 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | -175.4 | 149.8 | -72.1 | 168.9 | 172.2 | -10.9 | 0 | 0 | 110.9 | |||||
| 811 | E | 24.5 | Very low | 25.4 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 66% | 0.659 | 69% | 0.691 | S | S | * | * | trans | 70.3 | 145.7 | 159.5 | -92.8 | 171.1 | -127.2 | 0 | 0 | 124 | ||||
| 812 | N | 25.4 | Very low | 25.3 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | trans | 61.8 | 124 | 149.6 | -68.6 | -42.9 | 0 | 0 | 0 | 119.8 | ||||
| 813 | L | 23.1 | Very low | 25.3 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | 78 | 132.4 | 69.7 | -144.7 | 177.6 | 0 | 0 | 0 | 110.9 | |||||
| 814 | L | 25.8 | Very low | 25.3 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | trans | 71.5 | 174.7 | -169 | -56.6 | 118.9 | 0 | 0 | 0 | 114.6 | G816 | L814-G816 PolarHBondContact O-N 2.81Š| ||
| 815 | T | 28.4 | Very low | 25.3 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | 12.3 | 103.6 | 156.3 | 50.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 816 | G | 22.6 | Very low | 25.2 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | cis | 75.6 | 101.8 | 21.7 | 0 | 0 | 0 | 0 | 0 | 111 | L814 | L814-G816 PolarHBondContact O-N 2.81Š| ||
| 817 | L | 23.1 | Very low | 25.2 | Very low | 141 Ų | 141 | 122 Ų | 122 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | 67.4 | 101.7 | 166.4 | -60.1 | 168.1 | 0 | 0 | 0 | 118.7 | N819 | L817-N819 PolarHBondContact O-ND2 3.23Š| ||
| 818 | N | 25.2 | Very low | 24.9 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 67.6 | -170.9 | 133.8 | -50.5 | -10.7 | 0 | 0 | 0 | 113.1 | ||||
| 819 | N | 24.6 | Very low | 25 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -139.5 | 171.9 | 10.3 | -59.9 | -95.1 | 0 | 0 | 0 | 107.3 | L817 | L817-N819 PolarHBondContact O-ND2 3.23Š| ||
| 820 | S | 24 | Very low | 24.7 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | 178.2 | 172.3 | 50.4 | 53.9 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 821 | T | 26.9 | Very low | 24.8 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | cis | -128.5 | 137.7 | 14.5 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 822 | S | 23.7 | Very low | 24.7 | Very low | 81 Ų | 81 | 124 Ų | 124 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | cis | 90.1 | 131.8 | 32.1 | 79.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 823 | C | 24 | Very low | 24.6 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | 70.6 | 146.7 | 169.8 | -51.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 824 | H | 27.2 | Very low | 24.6 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | cis | -143.9 | -177.7 | 31 | -86 | -89.1 | 0 | 0 | 0 | 114.2 | ||||
| 825 | S | 26.5 | Very low | 24.5 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | 63 | 108.2 | 172 | 46.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 826 | S | 23.5 | Very low | 24.2 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | 72.7 | 128.2 | 64.3 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 827 | T | 26.7 | Very low | 24.6 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | cis | -144.6 | 154.4 | 32.4 | 6.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 828 | V | 22.7 | Very low | 24.7 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | 22.1 | 124.4 | 124.2 | 175.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 829 | I | 26 | Very low | 24.6 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | -139.3 | 164.1 | 51.6 | -55.5 | 164.7 | 0 | 0 | 0 | 112.6 | |||||
| 830 | N | 22.2 | Very low | 24.7 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | trans | -34.6 | 162.6 | 152.9 | -45.3 | -32 | 0 | 0 | 0 | 113.8 | ||||
| 831 | Y | 25 | Very low | 24.8 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | cis | -125 | 161.3 | 18.2 | -72.3 | -109.3 | 0 | 0 | 0 | 108.3 | V833 | Y831-V833 HydrophobicContact CD1-CB 4.45Å; Y831-V833 HydrophobicContact CD1-CG2 4.09Å | ||
| 832 | S | 22 | Very low | 25.2 | Very low | 95 Ų | 95 | 118.5 Ų | 118.5 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | cis | 47.1 | 174.2 | 49.5 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 833 | V | 23.3 | Very low | 25.3 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | trans | 57 | 113.3 | 168.7 | 177 | 0 | 0 | 0 | 0 | 115.6 | Y831 | Y831-V833 HydrophobicContact CD1-CB 4.45Å; Y831-V833 HydrophobicContact CD1-CG2 4.09Å | ||
| 834 | S | 23.5 | Very low | 25.4 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | cis | -179.9 | -170.3 | 7 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 835 | N | 22.7 | Very low | 25.3 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | 38.5 | 124 | 128.6 | -62.8 | 4.6 | 0 | 0 | 0 | 117.6 | |||||
| 836 | S | 22.7 | Very low | 25.3 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 43% | 0.427 | 69% | 0.689 | S | S | . | * | 46.2 | 123.9 | 80.2 | 93.3 | 0 | 0 | 0 | 0 | 112.6 | N838 | S836-N838 WeakPolarHBondContact CB-ND2 3.43Å; S836-N838 PolarHBondContact OG-ND2 3.18Å | |||
| 837 | N | 31.1 | Very low | 25.4 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | -121.8 | 126.3 | 70.8 | -76.4 | -39.1 | 0 | 0 | 0 | 112.2 | |||||
| 838 | N | 24.5 | Very low | 25.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 56% | 0.556 | 68% | 0.681 | S | S | * | * | 71.7 | 131.7 | 61.1 | -83.3 | -32.2 | 0 | 0 | 0 | 112.3 | S836 | S836-N838 WeakPolarHBondContact CB-ND2 3.43Å; S836-N838 PolarHBondContact OG-ND2 3.18Å | |||
| 839 | L | 24 | Very low | 25.4 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | 65.2 | 136.8 | 139.3 | -63.2 | 168.7 | 0 | 0 | 0 | 117.4 | ||||
| 840 | S | 27 | Very low | 26 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | cis | -145.1 | 153.1 | 0.4 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 841 | N | 25.3 | Very low | 26.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | 56.7 | 156.8 | 52.7 | -95.9 | 5.3 | 0 | 0 | 0 | 113.2 | |||||
| 842 | P | 35.7 | Very low | 26.2 | Very low | 104 Ų | 104 | 123 Ų | 123 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | cis | -114.4 | -156.8 | -14.1 | 25.4 | -1.1 | 0 | 0 | 0 | 109 | V844 | P842-V844 HydrophobicContact CB-CG2 4.5Š| ||
| 843 | V | 26 | Very low | 26.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | cis | -144.7 | 127 | 12.9 | 179.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 844 | V | 25.1 | Very low | 26.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 65% | 0.648 | 70% | 0.703 | S | S | * | * | cis | 91.3 | 146.7 | 44.5 | 172.7 | 0 | 0 | 0 | 0 | 113.3 | P842 | P842-V844 HydrophobicContact CB-CG2 4.5Š| ||
| 845 | L | 26.4 | Very low | 26.4 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | 93.9 | 123.3 | -177.8 | -48.4 | 177.9 | 0 | 0 | 0 | 115.5 | ||||
| 846 | L | 26.3 | Very low | 26.4 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | cis | -155.2 | 141.6 | -12.2 | -107.5 | 173.5 | 0 | 0 | 0 | 111.2 | ||||
| 847 | E | 24.4 | Very low | 26.4 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | trans | 22.6 | 149 | 136.3 | -74.9 | 171.7 | -141.8 | 0 | 0 | 122.8 | ||||
| 848 | R | 27.5 | Very low | 26 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | cis | -143.7 | 158.8 | 8.9 | -91.1 | 131.5 | -162.5 | -143.8 | 6 | 108.8 | ||||
| 849 | L | 22.1 | Very low | 25.9 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | cis | 85.9 | 144.4 | 41 | -68.5 | 174.7 | 0 | 0 | 0 | 116.1 | ||||
| 850 | P | 39.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -137.8 | -168.2 | -140.3 | 44.2 | -25.4 | 0 | 0 | 0 | 116.7 | ||||
| 851 | S | 27 | Very low | 25.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -153.7 | 166.1 | 163.4 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 852 | N | 24.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -122.6 | 173 | -161.8 | -54.8 | -28.9 | 0 | 0 | 0 | 114.8 | ||||
| 853 | F | 25.8 | Very low | 25 | Very low | 180 Ų | 180 | 138 Ų | 138 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | trans | 160.2 | 111 | 137.8 | -97.7 | -86.2 | 0 | 0 | 0 | 107.1 | ||||
| 854 | E | 22.9 | Very low | 25 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | 69.2 | 142.4 | 85.6 | -71.6 | -168.7 | 170.2 | 0 | 0 | 114.5 | |||||
| 855 | V | 24.2 | Very low | 24.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | cis | -163.3 | 156 | 3 | 106.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 856 | A | 23.6 | Very low | 24.8 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | trans | 54.4 | 162.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 857 | E | 21.4 | Very low | 24.7 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | cis | 86.2 | 136.3 | 13 | -55.3 | 173.2 | 105.5 | 0 | 0 | 115.1 | ||||
| 858 | T | 22.9 | Very low | 25.2 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -163.2 | 168 | -0.4 | 8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 859 | S | 21.9 | Very low | 25 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 73.5 | 128.1 | 142.1 | 63.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 860 | F | 23.7 | Very low | 25.1 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 93.5 | 127.4 | 127.3 | -95.9 | -118.9 | 0 | 0 | 0 | 125.7 | |||||
| 861 | Q | 23.2 | Very low | 24.4 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | 68.9 | 107.7 | 141.8 | -85 | -173.7 | -52.5 | 0 | 0 | 126.3 | ||||
| 862 | Q | 24 | Very low | 24.4 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 59.3 | 118.2 | 118.2 | -75.1 | 179.2 | -55.9 | 0 | 0 | 124.4 | |||||
| 863 | S | 24 | Very low | 24.3 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | 78.4 | 133.1 | 131.7 | 71.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 864 | G | 24.8 | Very low | 24.4 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 158.2 | 116.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 865 | R | 22.4 | Very low | 24.4 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 148.2 | 178 | -73.8 | 176.7 | 169.6 | 167.3 | -4.7 | 112.3 | ||||
| 866 | L | 25.5 | Very low | 24.5 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | 179.7 | 165.8 | 114.4 | -92.8 | 164 | 0 | 0 | 0 | 112.1 | |||||
| 867 | T | 23.8 | Very low | 24.6 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -147 | 174.3 | -164.4 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 868 | P | 35.4 | Very low | 24.9 | Very low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -135.4 | -148 | -34.8 | 37.9 | -17.6 | 0 | 0 | 0 | 112.1 | ||||
| 869 | S | 23.3 | Very low | 24.9 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 79.5 | 148.4 | 160.2 | 89.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 870 | E | 24.9 | Very low | 25.2 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -160.7 | -171.9 | -22.8 | -118.7 | 151.4 | -146 | 0 | 0 | 111.9 | ||||
| 871 | E | 24.1 | Very low | 25.5 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -52.7 | 166.1 | -170.5 | -54.1 | 171.1 | 134.9 | 0 | 0 | 116.9 | ||||
| 872 | F | 26.1 | Very low | 25.6 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | cis | -158.1 | -157 | 46.6 | -117.4 | -76.4 | 0 | 0 | 0 | 114.6 | ||||
| 873 | S | 22.3 | Very low | 25.8 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -106.4 | 168.6 | -158.9 | 58.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 874 | D | 27.4 | Very low | 25.8 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 174.6 | -176.8 | 121.1 | -86.5 | 7.7 | 0 | 0 | 0 | 114.1 | |||||
| 875 | L | 24.4 | Very low | 26 | Very low | 142 Ų | 142 | 146 Ų | 146 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -119.9 | 162.2 | -154.3 | -97.2 | 79.6 | 0 | 0 | 0 | 118.1 | ||||
| 876 | E | 24.9 | Very low | 26 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 68.3 | 153.2 | 152.3 | -74.8 | 171.3 | 177.6 | 0 | 0 | 118.6 | ||||
| 877 | D | 25.9 | Very low | 25.8 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | -155.7 | 174.4 | 12.9 | -162.4 | 8.2 | 0 | 0 | 0 | 114.3 | ||||
| 878 | T | 28.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 111.8 | 154.6 | 151.7 | 70.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 879 | M | 22.5 | Very low | 25.1 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -101.2 | 177.5 | -157.4 | -52.3 | 161.9 | 108.1 | 0 | 0 | 112.9 | ||||
| 880 | I | 28.9 | Very low | 25.1 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | -169.2 | 137.5 | 54.9 | -72.6 | -176.3 | 0 | 0 | 0 | 112.8 | |||||
| 881 | A | 29.3 | Very low | 25.1 | Very low | 76 Ų | 76 | 148 Ų | 148 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | trans | 52.2 | 122.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 882 | N | 25.9 | Very low | 25.1 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 88.6 | 142.7 | 121.4 | -70.3 | -0.3 | 0 | 0 | 0 | 126.6 | |||||
| 883 | S | 28.3 | Very low | 25 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 75.7 | 100.3 | 157.7 | 43.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 884 | E | 23.5 | Very low | 25 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 25.3 | 119.2 | 132.4 | -51.1 | -178.1 | 156.3 | 0 | 0 | 118.4 | ||||
| 885 | T | 27.7 | Very low | 24.8 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | -169.3 | 143.3 | 62.8 | 42 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 886 | Q | 22.7 | Very low | 24.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 37.2 | 114.3 | 152.4 | -66.6 | -172.1 | -10.9 | 0 | 0 | 123.4 | ||||
| 887 | T | 21.8 | Very low | 24.9 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 67 | 132 | 144.7 | 66.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 888 | Q | 20.8 | Very low | 24.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -146.2 | 166.8 | 31 | -64.1 | -178.1 | 4.9 | 0 | 0 | 114.2 | ||||
| 889 | K | 23.7 | Very low | 24.6 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 24.4 | 114.2 | 153.1 | -65.6 | -179.3 | 177 | -179.3 | 0 | 120 | ||||
| 890 | M | 24.3 | Very low | 24.7 | Very low | 171 Ų | 171 | 144 Ų | 144 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | -159.5 | 127.2 | 112.4 | -119.4 | -171.6 | -79.4 | 0 | 0 | 114.4 | |||||
| 891 | N | 23.8 | Very low | 24.6 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | 38.9 | 123.8 | 141.2 | -60.2 | 4.8 | 0 | 0 | 0 | 123.4 | ||||
| 892 | H | 24 | Very low | 24.4 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 36.1 | 121.4 | 135.8 | -55.6 | -87.7 | 0 | 0 | 0 | 119 | ||||
| 893 | S | 24 | Very low | 24.2 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | -167.4 | 114.1 | 70.7 | 42.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 894 | S | 23 | Very low | 24 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -172.4 | 54.1 | 158.4 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 895 | V | 22.9 | Very low | 24 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -121.8 | 99.9 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 896 | V | 25.4 | Very low | 23.8 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -134.6 | 107.2 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | S898 | V896-S898 PolarHBondContact O-N 2.91Š| ||
| 897 | L | 25.7 | Very low | 23.8 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 51.1 | 60.1 | 151.5 | -52.7 | 177 | 0 | 0 | 0 | 118 | E899 | L897-E899 HydrophobicContact CD2-CG 4.02Š| ||
| 898 | S | 23.2 | Very low | 23.9 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | -87.1 | 98.3 | 128.6 | 54 | 0 | 0 | 0 | 0 | 107.9 | V896 Q900 | V896-S898 PolarHBondContact O-N 2.91Å; S898-Q900 PolarHBondContact O-N 3.31Å; S898-Q900 VanDerWaalsContact O-N 3.11Å | |||
| 899 | E | 24.1 | Very low | 24.1 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -66.9 | 114.7 | -178.5 | -72.9 | -159.5 | 126.7 | 0 | 0 | 111.3 | L897 | L897-E899 HydrophobicContact CD2-CG 4.02Š| ||
| 900 | Q | 26.3 | Very low | 24 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.2 | 172.6 | -66.9 | -177.8 | -29.4 | 0 | 0 | 109.4 | S898 | S898-Q900 PolarHBondContact O-N 3.31Å; S898-Q900 VanDerWaalsContact O-N 3.11Å |
| 901 | L | 26.4 | Very low | 23.9 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.3 | 166.9 | -75.9 | 138.4 | 0 | 0 | 0 | 110.1 | ||
| 902 | P | 25.5 | Very low | 23.9 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.9 | -177.6 | 26.7 | -34.1 | 0 | 0 | 0 | 112.3 | F904 | P902-F904 PolarHBondContact O-N 3.46Š|
| 903 | L | 21.1 | Very low | 23.9 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.1 | 177.8 | -71.5 | 153.2 | 0 | 0 | 0 | 112.7 | ||
| 904 | F | 23.7 | Very low | 24 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -140.7 | 54.3 | 146.9 | -108.1 | -65.6 | 0 | 0 | 0 | 112.8 | P902 | P902-F904 PolarHBondContact O-N 3.46Š| ||
| 905 | S | 23.1 | Very low | 24 | Very low | 82 Ų | 82 | 144.8 Ų | 144.8 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | trans | -64 | 145.9 | 144 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 906 | S | 24.3 | Very low | 23.9 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | cis | -177.7 | 156.4 | -7 | 46.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 907 | F | 23.2 | Very low | 23.8 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -145.8 | 79.2 | 142.7 | -97.2 | -64 | 0 | 0 | 0 | 110.5 | ||||
| 908 | H | 23.7 | Very low | 24.2 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -64.8 | 157.2 | 146.5 | -98 | -93.3 | 0 | 0 | 0 | 109.2 | ||||
| 909 | Y | 24.6 | Very low | 24.2 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -105.7 | 146.2 | 146.8 | -106.8 | -89 | 0 | 0 | 0 | 107.7 | ||||
| 910 | D | 22.2 | Very low | 24.1 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -81.3 | 159.9 | -160.6 | -47 | -81 | 0 | 0 | 0 | 114.3 | ||||
| 911 | F | 22.7 | Very low | 23.9 | Very low | 220 Ų | 220 | 139.5 Ų | 139.5 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | -151.8 | 100 | 124.8 | -105.7 | -67.3 | 0 | 0 | 0 | 110.8 | |||||
| 912 | S | 23 | Very low | 23.8 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | trans | -115.7 | 166.8 | 152 | 71.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 913 | D | 24.2 | Very low | 23.8 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -144.6 | 166.2 | 14.9 | -96.6 | -67.2 | 0 | 0 | 0 | 110.7 | ||||
| 914 | I | 25.9 | Very low | 23.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | -173.7 | 130.8 | 117.9 | -93.6 | 157.4 | 0 | 0 | 0 | 108.5 | |||||
| 915 | A | 22.2 | Very low | 24 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -100.3 | 160.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 916 | C | 22.5 | Very low | 24 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 90% | 0.899 | 74% | 0.739 | S | S | * | * | -178.6 | 156.2 | 122 | -99.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 917 | S | 22 | Very low | 24 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -131 | -168.4 | 166.6 | 67.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 918 | P | 35.4 | Very low | 24 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | cis | -138.6 | -172 | -7.3 | 24.2 | 2.8 | 0 | 0 | 0 | 115.2 | ||||
| 919 | F | 22.5 | Very low | 24 | Very low | 184 Ų | 184 | 134 Ų | 134 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | 86.4 | 120.7 | 146 | -75.7 | -52 | 0 | 0 | 0 | 125.7 | ||||
| 920 | T | 22 | Very low | 24.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | trans | 68.7 | 105.6 | 136.5 | 44.3 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 921 | S | 22.9 | Very low | 24.2 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | 73.9 | 104.9 | 113.4 | 75.7 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 922 | S | 24.3 | Very low | 24.3 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | 80.1 | 159.8 | 115.4 | 72.9 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 923 | L | 24.4 | Very low | 24.5 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 84.1 | 137.9 | 168.6 | -51 | -176.8 | 0 | 0 | 0 | 117.2 | ||||
| 924 | Y | 23.9 | Very low | 24.7 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | cis | -163.6 | -171.6 | -15.5 | -145.9 | -119.4 | 0 | 0 | 0 | 111.7 | ||||
| 925 | T | 25.5 | Very low | 24.7 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | 69.3 | 126.2 | 172.2 | 52.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 926 | D | 23.2 | Very low | 24.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | 82 | 138.3 | 53.2 | -84.9 | 1.4 | 0 | 0 | 0 | 113.6 | |||||
| 927 | K | 24.6 | Very low | 25 | Very low | 149 Ų | 149 | 132 Ų | 132 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | cis | -171.1 | 154.7 | -7.5 | -122.9 | 173.9 | -170.7 | 92.6 | 0 | 110 | ||||
| 928 | L | 23.2 | Very low | 25.6 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | 63.1 | 157.9 | 150.9 | -70.7 | 163.8 | 0 | 0 | 0 | 117 | ||||
| 929 | S | 24 | Very low | 25 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | cis | -161.4 | -154.1 | -3.8 | 40.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 930 | L | 25 | Very low | 25 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | cis | -165.1 | 127 | 13.9 | -164.9 | 92.1 | 0 | 0 | 0 | 113 | ||||
| 931 | Y | 25.6 | Very low | 25 | Very low | 204 Ų | 204 | 130.4 Ų | 130.4 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | 70.6 | 158.5 | 141.3 | -83.1 | -146.3 | 0 | 0 | 0 | 121.7 | ||||
| 932 | S | 24.2 | Very low | 25 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | cis | -175.2 | 175.8 | -18.8 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 933 | Q | 27.9 | Very low | 24.9 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | 91.1 | 134.5 | 158.9 | -64.5 | 179.9 | 26.7 | 0 | 0 | 116.2 | ||||
| 934 | T | 27 | Very low | 24.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | cis | -155.8 | 169.3 | 3.8 | 4.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 935 | Q | 27.3 | Very low | 24.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | cis | -157.1 | 149.1 | 15.2 | -125.2 | -173.7 | 8.6 | 0 | 0 | 110 | ||||
| 936 | L | 26.3 | Very low | 24.5 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | 54.9 | 154.1 | 147.1 | -60.7 | 167.5 | 0 | 0 | 0 | 121.6 | ||||
| 937 | S | 24 | Very low | 24.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -166.8 | 157.3 | -28.6 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 938 | P | 34.6 | Very low | 24.6 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -126 | -169.3 | -163.2 | 34.1 | -13.1 | 0 | 0 | 0 | 115.8 | ||||
| 939 | F | 23.2 | Very low | 24.7 | Very low | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | 118.6 | 114.8 | 156.6 | -76.1 | -77.7 | 0 | 0 | 0 | 119.9 | ||||
| 940 | S | 22 | Very low | 24.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 10.7 | 146.6 | 139.2 | 61.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 941 | G | 22.3 | Very low | 24.8 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 149.2 | 99 | 130.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 942 | M | 22.2 | Very low | 24.8 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | 40 | 120.1 | 143.7 | -79.9 | 168.9 | 161.7 | 0 | 0 | 122.2 | ||||
| 943 | D | 21.6 | Very low | 24.8 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | 94.1 | 129.4 | 121.3 | -76.4 | 18.4 | 0 | 0 | 0 | 124.6 | |||||
| 944 | Y | 22 | Very low | 24.6 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 75.8 | 112 | 144.7 | -90.8 | -111.8 | 0 | 0 | 0 | 122.8 | ||||
| 945 | R | 21.7 | Very low | 24.4 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | trans | 60.6 | 158.5 | 137.4 | -74.4 | -171.5 | -178.1 | 156 | -0.5 | 119.4 | ||||
| 946 | S | 23.4 | Very low | 24.1 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -167.9 | 165.1 | -30.2 | 51.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 947 | T | 23.1 | Very low | 23.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 157.8 | 170.4 | 78.4 | -32.9 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 948 | I | 25.2 | Very low | 23.7 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | trans | 69.6 | 121.4 | 165.4 | -60.6 | 160.8 | 0 | 0 | 0 | 113.2 | ||||
| 949 | Q | 26 | Very low | 23.5 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | cis | -159.7 | 170.7 | -3.7 | -110.9 | 173.8 | -27.6 | 0 | 0 | 105.2 | ||||
| 950 | S | 26.6 | Very low | 23.3 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -171.2 | 148.7 | -5.3 | 40.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 951 | E | 25.4 | Very low | 23.7 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | -158.6 | -174.6 | 2.1 | -116.2 | -166.9 | 137.1 | 0 | 0 | 106.2 | ||||
| 952 | K | 25.8 | Very low | 23.9 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | cis | -152.2 | -159.7 | 14.3 | -143.6 | 169.5 | -179.8 | 66.5 | 0 | 111.8 | ||||
| 953 | T | 24.2 | Very low | 23.9 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | -65.5 | 161.7 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 954 | S | 23.7 | Very low | 24 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -177.7 | 150 | -14.1 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 955 | S | 21.9 | Very low | 24 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 48.5 | 100.7 | 142.5 | 64.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 956 | S | 20.6 | Very low | 24.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | 28 | 121.6 | 122.5 | 61.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 957 | S | 22 | Very low | 24.2 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -165 | 159.9 | 132.5 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 958 | F | 20.8 | Very low | 24.4 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 178.2 | 167.6 | -75.7 | -89.7 | 0 | 0 | 0 | 112.8 | ||||
| 959 | P | 29.9 | Very low | 24.5 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | -134.6 | -160.5 | -23.4 | 28.4 | -4.1 | 0 | 0 | 0 | 113.6 | ||||
| 960 | C | 20 | Very low | 24.3 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 91.1 | 146.2 | 155.4 | -64.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 961 | T | 29.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -90.6 | 160.1 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 962 | P | 27.2 | Very low | 24.5 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -154.6 | 151 | 82.9 | 40.2 | -20.4 | 0 | 0 | 0 | 118.5 | |||||
| 963 | F | 21.1 | Very low | 24.6 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 63 | 176.7 | 146.1 | -97.7 | -101.8 | 0 | 0 | 0 | 122.2 | ||||
| 964 | W | 24.4 | Very low | 24.7 | Very low | 227 Ų | 227 | 141.1 Ų | 141.1 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 84.6 | 90.8 | 176.8 | -61.2 | 90.1 | 0 | 0 | 0 | 118.9 | ||||
| 965 | R | 22.2 | Very low | 25.1 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | -51.2 | 149.6 | 124.6 | -65.2 | -179.4 | -178.5 | -176.7 | 1.9 | 107.7 | D77 | D77-R965 IonicContact OD1-CZ 3.8Å; D77-R965 IonicContact OD1-NH2 2.69Å; D77-R965 PolarHBondContact OD1-NH2 2.89Å; D77-R965 IonicContact OD2-NH2 3.99Å | |||
| 966 | P | 27.1 | Very low | 25.6 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | cis | -152.9 | -168.4 | 50 | 33.1 | -6.8 | 0 | 0 | 0 | 116.8 | ||||
| 967 | V | 23.1 | Very low | 25.8 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 77.4 | 138 | 162.2 | -159.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 968 | Y | 26.9 | Very low | 26.1 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 130.8 | 167.4 | -79.6 | -98.1 | 0 | 0 | 0 | 112.2 | ||||
| 969 | P | 26 | Very low | 26.6 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -87.6 | 105.9 | 158.7 | 32.5 | -28.6 | 0 | 0 | 0 | 110.3 | P971 | P969-P971 WeakPolarHBondContact O-CD 3.41Š| ||
| 970 | A | 22.9 | Very low | 26.5 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -86 | 131.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 971 | P | 28.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -124.7 | 54.4 | 176.1 | 40.1 | -27.6 | 0 | 0 | 0 | 114.9 | P969 | P969-P971 WeakPolarHBondContact O-CD 3.41Š| ||
| 972 | R | 26.7 | Very low | 26.5 | Very low | 241 Ų | 241 | 146.3 Ų | 146.3 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -141.5 | 48.8 | 158 | -79.1 | -156.7 | 175 | 177.7 | 0.4 | 114.4 | ||
| 973 | L | 27.5 | Very low | 26.4 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 63% | 0.628 | 73% | 0.734 | S | S | * | * | trans | -130.3 | 18.8 | 170.4 | -146.7 | 77.9 | 0 | 0 | 0 | 115.4 | N977 | L973-N977 PolarHBondContact O-ND2 2.95Š| ||
| 974 | N | 25.7 | Very low | 26.6 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 5.1 | 178.7 | -88.4 | -8.3 | 0 | 0 | 0 | 115.3 | N978 | N974-N978 PolarHBondContact O-ND2 3.24Š|
| 975 | V | 33.1 | Very low | 26.8 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -43.7 | 172 | -179 | 0 | 0 | 0 | 0 | 111 | ||
| 976 | V | 31.5 | Very low | 26.8 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -71.1 | -39.5 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | N978 W979 L980 | V976-N978 VanDerWaalsContact C-N 3.31Å; V976-N978 PolarHBondContact O-N 3.36Å; V976-W979 PolarHBondContact O-N 3.08Å; V976-L980 HydrophobicContact CG1-CD1 4.39Å |
| 977 | N | 26.1 | Very low | 26.5 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 36% | 0.358 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -73.1 | -16.3 | -176.5 | -81.9 | -60.2 | 0 | 0 | 0 | 115.2 | L973 | L973-N977 PolarHBondContact O-ND2 2.95Å |
| 978 | N | 27.2 | Very low | 26.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -91.8 | -19.5 | 177.7 | -79.7 | -34.7 | 0 | 0 | 0 | 113.2 | N974 V976 | N974-N978 PolarHBondContact O-ND2 3.24Å; V976-N978 VanDerWaalsContact C-N 3.31Å; V976-N978 PolarHBondContact O-N 3.36Å |
| 979 | W | 31.5 | Very low | 26.5 | Very low | 230 Ų | 230 | 144.6 Ų | 144.6 | 87% | 0.871 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -80 | -34.1 | 172.9 | -154.1 | 63.5 | 0 | 0 | 0 | 111.8 | V976 K981 | V976-W979 PolarHBondContact O-N 3.08Å; W979-K981 PolarHBondContact O-N 3.23Å |
| 980 | L | 27.2 | Very low | 26.4 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 17.8 | -176.6 | -87.3 | 162.5 | 0 | 0 | 0 | 115.8 | V976 | V976-L980 HydrophobicContact CG1-CD1 4.39Š|
| 981 | K | 24.3 | Very low | 26.3 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 12.1 | 179.1 | -80.4 | -178.2 | 178.9 | 169.5 | 0 | 115.8 | W979 | W979-K981 PolarHBondContact O-N 3.23Š|
| 982 | Q | 26.4 | Very low | 26 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -113.6 | 39.1 | 172.9 | -71.5 | -162.7 | -13.2 | 0 | 0 | 114.9 | ||
| 983 | S | 24.9 | Very low | 25.8 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -154.2 | 145.7 | 139.8 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 984 | K | 25.1 | Very low | 25.6 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -157 | 102.8 | -176.4 | -99.5 | -166.1 | 172.3 | -169.8 | 0 | 111.8 | ||||
| 985 | T | 28.7 | Very low | 25.3 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | -176.7 | 123.8 | 156.4 | 26.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 986 | L | 21.8 | Very low | 24.8 | Very low | 144 Ų | 144 | 155 Ų | 155 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | cis | 104.8 | 108.8 | 22 | -166.2 | 146.5 | 0 | 0 | 0 | 112.7 | ||||
| 987 | Q | 21.5 | Very low | 24.4 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 61 | 111.4 | 166.6 | -66.1 | 178.7 | -45.4 | 0 | 0 | 120.3 | ||||
| 988 | D | 25.7 | Very low | 24.3 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 168.1 | 158.2 | 132.6 | -90.6 | -1.8 | 0 | 0 | 0 | 109.4 | ||||
| 989 | F | 23.2 | Very low | 24.1 | Very low | 196 Ų | 196 | 159 Ų | 159 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | -150.4 | 154 | -50.2 | -139.4 | -85.6 | 0 | 0 | 0 | 108.1 | |||||
| 990 | K | 24.2 | Very low | 23.7 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -74.3 | 142.4 | -168.7 | -67.6 | -174.3 | 173.1 | -170.3 | 0 | 115.9 | ||||
| 991 | K | 21.8 | Very low | 23.4 | Very low | 191 Ų | 191 | 148 Ų | 148 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -170.6 | 134.9 | 146.7 | -117.9 | 176.5 | -179.4 | -178 | 0 | 117.5 | ||||
| 992 | L | 21.6 | Very low | 23.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | trans | 67.9 | 159.1 | 146.5 | -82.8 | 159.8 | 0 | 0 | 0 | 122.8 | ||||
| 993 | E | 23.5 | Very low | 23.3 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -122.5 | 175.9 | -168.5 | -58 | 161.6 | 94 | 0 | 0 | 112.4 | ||||
| 994 | V | 21.8 | Very low | 23.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 131.1 | 124.7 | 139.3 | 177.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 995 | M | 20.2 | Very low | 23.1 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 84% | 0.837 | 71% | 0.713 | S | S | * | * | trans | 74.3 | 123.9 | 159.3 | -79 | 178.2 | -166.9 | 0 | 0 | 123.7 | ||||
| 996 | K | 22.8 | Very low | 23 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 87% | 0.87 | 71% | 0.709 | S | S | * | * | 4.2 | 151.1 | 129.1 | -48.3 | 179 | -179.2 | -179.4 | 0 | 117.4 | |||||
| 997 | K | 22.9 | Very low | 23 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | cis | -174.8 | 151.9 | 42.8 | -157 | -171.3 | -178.1 | -78.2 | 0 | 112.6 | ||||
| 998 | D | 24.2 | Very low | 23.2 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 48% | 0.481 | 71% | 0.71 | S | S | . | * | trans | 14.8 | 118.9 | 151.2 | -45.1 | -16.7 | 0 | 0 | 0 | 122.7 | ||||
| 999 | F | 23 | Very low | 23 | Very low | 118 Ų | 118 | 139 Ų | 139 | 52% | 0.518 | 71% | 0.705 | S | S | . | * | trans | 97.7 | 143.1 | 138.6 | -50.9 | 175.2 | 0 | 0 | 0 | 120.7 | S1057 I1058 D1059 | F999-S1057 WeakPolarHBondContact CD1-O 3.46Å; F999-S1057 WeakPolarHBondContact CD2-O 3.36Å; F999-S1057 WeakPolarHBondContact CE1-O 3.25Å; F999-S1057 WeakPolarHBondContact CG-O 3.43Å; F999-I1058 WeakPolarHBondContact CA-O 3.21Å; F999-I1058 VanDerWaalsContact CB-O 3.29Å; F999-I1058 WeakPolarHBondContact CB-O 3.49Å; F999-I1058 WeakPolarHBondContact CD2-O 3.45Å; F999-I1058 VanDerWaalsContact CG-O 3.29Å; F999-I1058 WeakPolarHBondContact CG-O 3.47Å; F999-D1059 PolarHBondContact N-O 3.04Å; F999-D1059 VanDerWaalsContact N-O 3.12Å | ||
| 1000 | A | 22.8 | Very low | 23.3 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 55% | 0.554 | 70% | 0.701 | S | S | * | * | cis | -150.6 | 116.6 | 17.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | I1058 D1059 | A1000-I1058 VanDerWaalsContact CA-O 3.26Å; A1000-I1058 WeakPolarHBondContact CA-O 3.5Å; A1000-D1059 PolarHBondContact N-OD2 3.13Å | ||
| 1001 | C | 21.7 | Very low | 23.2 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 44% | 0.439 | 70% | 0.695 | S | S | . | * | trans | 86.3 | 133.3 | 145.2 | -146.9 | 0 | 0 | 0 | 0 | 126.8 | D1059 | C1001-D1059 VanDerWaalsContact N-CG 3.29Å; C1001-D1059 PolarHBondContact N-OD2 3.43Å | ||
| 1002 | M | 22.7 | Very low | 23.5 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | 48.5 | 140.5 | 156.5 | -84.6 | -173.7 | 74.5 | 0 | 0 | 124.6 | ||||
| 1003 | D | 25.2 | Very low | 23.6 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | trans | 55.1 | 106.8 | 150.7 | -77.1 | 19.5 | 0 | 0 | 0 | 121.8 | Q1005 | D1003-Q1005 HydrophobicContact CB-CG 3.95Å; D1003-Q1005 WeakPolarHBondContact OD2-CG 3.4Å; D1003-Q1005 PolarHBondContact OD2-NE2 3.39Å | ||
| 1004 | S | 23 | Very low | 23.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | -119 | 108.9 | 112.2 | 52 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 1005 | Q | 23.2 | Very low | 23.7 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | 45.9 | 137.1 | 63.5 | -67.4 | 179.3 | 25.6 | 0 | 0 | 113.4 | D1003 E1007 | D1003-Q1005 HydrophobicContact CB-CG 3.95Å; D1003-Q1005 WeakPolarHBondContact OD2-CG 3.4Å; D1003-Q1005 PolarHBondContact OD2-NE2 3.39Å; Q1005-E1007 PolarHBondContact O-N 3.18Å; Q1005-E1007 VanDerWaalsContact O-N 3.13Å | |||
| 1006 | S | 25.9 | Very low | 23.8 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -62.5 | 108.8 | 152.8 | 50.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1007 | E | 22.5 | Very low | 23.8 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | trans | -52.4 | 148 | 149.3 | -55.5 | -171 | 132.4 | 0 | 0 | 107.8 | Q1005 | Q1005-E1007 PolarHBondContact O-N 3.18Å; Q1005-E1007 VanDerWaalsContact O-N 3.13Å | ||
| 1008 | I | 26 | Very low | 23.8 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | cis | -137.4 | 150.5 | 30 | -67.8 | 165.6 | 0 | 0 | 0 | 110.6 | H1010 | I1008-H1010 PolarHBondContact O-N 3.29Š| ||
| 1009 | N | 21.6 | Very low | 23.8 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -57.3 | 115.6 | 167.9 | -71.3 | -55.7 | 0 | 0 | 0 | 112.7 | ||||
| 1010 | H | 29.9 | Very low | 23.9 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | -150.3 | 110.8 | 122.7 | -83 | -48 | 0 | 0 | 0 | 106.4 | I1008 | I1008-H1010 PolarHBondContact O-N 3.29Š| |||
| 1011 | E | 21.9 | Very low | 24 | Very low | 142 Ų | 142 | 135 Ų | 135 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | 59.8 | 133.4 | 61.7 | -61.9 | -166.4 | 126.1 | 0 | 0 | 114.1 | |||||
| 1012 | N | 28.1 | Very low | 24.2 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 77.4 | 130.1 | 173.4 | -47.1 | -70.6 | 0 | 0 | 0 | 116.4 | ||||
| 1013 | D | 23.2 | Very low | 24.3 | Very low | 106 Ų | 106 | 141 Ų | 141 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | cis | -166.9 | 158.8 | -18.6 | -134.4 | -20.5 | 0 | 0 | 0 | 113.3 | ||||
| 1014 | K | 24.9 | Very low | 24.4 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 64% | 0.635 | 73% | 0.725 | S | S | * | * | trans | 53.9 | 124.2 | 146.5 | -76.6 | 153.3 | -167.9 | 147 | 0 | 124.4 | ||||
| 1015 | E | 21.8 | Very low | 24.5 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | 75.1 | 156.3 | 124.6 | -66 | -179.7 | 162.8 | 0 | 0 | 121.3 | |||||
| 1016 | I | 21.8 | Very low | 24.4 | Very low | 140 Ų | 140 | 143 Ų | 143 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | cis | -156.1 | 131.9 | -28.7 | -114.5 | 167.9 | 0 | 0 | 0 | 111.5 | ||||
| 1017 | K | 22.9 | Very low | 24.2 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 29.5 | 144.1 | 139.1 | -102.1 | 177.8 | -176.2 | 179.5 | 0 | 126.1 | ||||
| 1018 | L | 22.9 | Very low | 24.2 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | 84.4 | 151.6 | 146.9 | -61.5 | 157.3 | 0 | 0 | 0 | 121.1 | ||||
| 1019 | S | 25.1 | Very low | 24.1 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 57% | 0.566 | 73% | 0.727 | S | S | * | * | cis | -173 | 174.4 | -27.1 | 62 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1020 | N | 24.3 | Very low | 24 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | 79.8 | 165.1 | 170.6 | -45.9 | 3.5 | 0 | 0 | 0 | 115 | ||||
| 1021 | E | 26 | Very low | 23.7 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | cis | -152 | 169 | 4.8 | -94.4 | -144.6 | 113.4 | 0 | 0 | 108 | ||||
| 1022 | F | 25.2 | Very low | 23.7 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | cis | -164.8 | 171.6 | -30.3 | -141 | -82 | 0 | 0 | 0 | 108.7 | ||||
| 1023 | L | 24.8 | Very low | 23.4 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | 70.8 | 138.4 | 166.9 | -80 | 166.5 | 0 | 0 | 0 | 120.5 | ||||
| 1024 | P | 28.1 | Very low | 23.3 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -118.7 | 143.1 | -13.5 | 37.9 | -23.9 | 0 | 0 | 0 | 115 | ||
| 1025 | Q | 23.9 | Very low | 23.2 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 65.6 | 121.8 | 160.3 | -59.8 | 173.4 | 7.8 | 0 | 0 | 117.5 | ||
| 1026 | C | 20.9 | Very low | 23.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | cis | -152.3 | 142.1 | -1.1 | -100 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1027 | T | 21.8 | Very low | 23.3 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | 5.4 | 141.2 | 135.1 | 62.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1028 | T | 24.2 | Very low | 23.4 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | cis | -143.6 | 170.1 | 21.3 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1029 | V | 21.8 | Very low | 23.4 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | 73 | 123.6 | 33 | 164.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1030 | D | 21.3 | Very low | 23.5 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | cis | -166 | -176.8 | -18.3 | -140 | -74.7 | 0 | 0 | 0 | 112.1 | ||||
| 1031 | L | 21.7 | Very low | 23.6 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | trans | 83.3 | 156.8 | 151.8 | -83.1 | 168.7 | 0 | 0 | 0 | 124.4 | ||||
| 1032 | I | 22.5 | Very low | 23.7 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -82 | 154.1 | 179.1 | -69.1 | 162.9 | 0 | 0 | 0 | 111 | ||||
| 1033 | S | 21.4 | Very low | 23.9 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 67.6 | 156.6 | 175.1 | 76.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1034 | S | 22.3 | Very low | 24.2 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | cis | -110.4 | 136.2 | -1.7 | 55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1035 | S | 22 | Very low | 24.4 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | 64.4 | 160.5 | 85 | -38.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1036 | I | 22.7 | Very low | 24.4 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | 37.4 | 113.3 | 133.5 | -65.3 | 168.9 | 0 | 0 | 0 | 115.2 | ||||
| 1037 | D | 23.1 | Very low | 24.5 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | cis | -173.7 | -147.2 | 2 | -149.5 | -83.5 | 0 | 0 | 0 | 106.7 | K1039 | D1037-K1039 WeakPolarHBondContact OD1-CE 3.47Å; D1037-K1039 IonicContact OD1-NZ 3.65Å; D1037-K1039 PolarHBondContact OD1-NZ 2.95Å | ||
| 1038 | E | 24.8 | Very low | 24.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | 67.1 | 96.6 | 136 | -83.1 | 156.9 | -163.4 | 0 | 0 | 116.3 | ||||
| 1039 | K | 24.2 | Very low | 24.8 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | 51.8 | 124.7 | 73.8 | -48 | 158.8 | -131.4 | 148.3 | 0 | 108.9 | D1037 | D1037-K1039 WeakPolarHBondContact OD1-CE 3.47Å; D1037-K1039 IonicContact OD1-NZ 3.65Å; D1037-K1039 PolarHBondContact OD1-NZ 2.95Å | |||
| 1040 | N | 27.4 | Very low | 25.1 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | cis | -129.8 | 151.6 | 28.9 | -70.4 | -88.5 | 0 | 0 | 0 | 109 | I1042 | N1040-I1042 HydrophobicContact CB-CD1 3.98Å; N1040-I1042 HydrophobicContact CB-CG1 4.12Å | ||
| 1041 | A | 25.4 | Very low | 25.2 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | cis | 58.7 | 176.9 | 44.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1042 | I | 28.2 | Very low | 25.2 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 67% | 0.667 | 72% | 0.718 | S | S | * | * | trans | 71.8 | 108.3 | -176.1 | -52.8 | 168 | 0 | 0 | 0 | 111.9 | N1040 | N1040-I1042 HydrophobicContact CB-CD1 3.98Å; N1040-I1042 HydrophobicContact CB-CG1 4.12Å | ||
| 1043 | D | 29 | Very low | 25.3 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | cis | -161.1 | 165.7 | -2.1 | -125.2 | -21 | 0 | 0 | 0 | 114.3 | ||||
| 1044 | G | 31.8 | Very low | 25.4 | Very low | 59 Ų | 59 | 133.9 Ų | 133.9 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 78.2 | 112.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1045 | Y | 31.9 | Very low | 25.4 | Very low | 237 Ų | 237 | 136.3 Ų | 136.3 | 93% | 0.929 | 72% | 0.717 | S | S | * | * | cis | -126.7 | 129.9 | 18.5 | -88.9 | -104.6 | 0 | 0 | 0 | 113.1 | ||||
| 1046 | Q | 23.8 | Very low | 25.4 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -144.8 | 103.6 | 161.8 | -173.5 | -173.1 | 18.8 | 0 | 0 | 110.1 | ||||
| 1047 | T | 23.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | -179.5 | 142.4 | 164.8 | 14.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1048 | L | 27.4 | Very low | 25.4 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | cis | -135.9 | 168.8 | 16.1 | -56.1 | 164.2 | 0 | 0 | 0 | 108.6 | ||||
| 1049 | L | 24.6 | Very low | 25.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | cis | -169.8 | 157.9 | -23 | -106.1 | 174.9 | 0 | 0 | 0 | 108.1 | ||||
| 1050 | Y | 27.7 | Very low | 25.2 | Very low | 204 Ų | 204 | 128.3 Ų | 128.3 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | 62.4 | 144.2 | 164.9 | -61.8 | -62.9 | 0 | 0 | 0 | 118.7 | ||||
| 1051 | S | 24 | Very low | 25.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | cis | -164.5 | 159.8 | -20 | 37.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1052 | S | 22 | Very low | 25.9 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -98 | 151.5 | 170 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1053 | E | 23.6 | Very low | 25.7 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | 168.5 | 138.2 | 151.6 | -94.8 | 163 | -145.5 | 0 | 0 | 106.7 | ||||
| 1054 | H | 25 | Very low | 25.7 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | cis | -144.8 | 170.5 | 3.4 | -114.9 | -71.4 | 0 | 0 | 0 | 111.9 | ||||
| 1055 | E | 22.1 | Very low | 25.5 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | trans | -43.3 | 176.1 | 158.4 | -72.9 | 145.9 | 142.5 | 0 | 0 | 117.5 | ||||
| 1056 | Q | 21.4 | Very low | 25.1 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | cis | -172.5 | -179 | -37.7 | -137 | -179.1 | 33.6 | 0 | 0 | 109.2 | ||||
| 1057 | S | 21.5 | Very low | 25.2 | Very low | 58 Ų | 58 | 122.8 Ų | 122.8 | 41% | 0.406 | 66% | 0.662 | S | S | . | * | trans | 57.2 | 96.3 | 157.2 | 63.1 | 0 | 0 | 0 | 0 | 122.2 | F999 | F999-S1057 WeakPolarHBondContact CD1-O 3.46Å; F999-S1057 WeakPolarHBondContact CD2-O 3.36Å; F999-S1057 WeakPolarHBondContact CE1-O 3.25Å; F999-S1057 WeakPolarHBondContact CG-O 3.43Å | ||
| 1058 | I | 24.3 | Very low | 25.3 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | 45.3 | 141 | 125.6 | -55 | 155.1 | 0 | 0 | 0 | 119.3 | F999 A1000 | F999-I1058 WeakPolarHBondContact CA-O 3.21Å; F999-I1058 VanDerWaalsContact CB-O 3.29Å; F999-I1058 WeakPolarHBondContact CB-O 3.49Å; F999-I1058 WeakPolarHBondContact CD2-O 3.45Å; F999-I1058 VanDerWaalsContact CG-O 3.29Å; F999-I1058 WeakPolarHBondContact CG-O 3.47Å; A1000-I1058 VanDerWaalsContact CA-O 3.26Å; A1000-I1058 WeakPolarHBondContact CA-O 3.5Å | |||
| 1059 | D | 21.5 | Very low | 25.1 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | trans | 141 | 168.5 | 131.6 | -140.7 | 28.9 | 0 | 0 | 0 | 117.6 | F999 A1000 C1001 | F999-D1059 PolarHBondContact N-O 3.04Å; F999-D1059 VanDerWaalsContact N-O 3.12Å; A1000-D1059 PolarHBondContact N-OD2 3.13Å; C1001-D1059 VanDerWaalsContact N-CG 3.29Å; C1001-D1059 PolarHBondContact N-OD2 3.43Å | ||
| 1060 | A | 23.4 | Very low | 25.1 | Very low | 54 Ų | 54 | 118.7 Ų | 118.7 | 45% | 0.446 | 66% | 0.655 | S | S | . | * | trans | 67.5 | 84.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1061 | T | 31.6 | Very low | 25 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -79.5 | -171.5 | 156.5 | 64.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1062 | P | 35 | Very low | 25.1 | Very low | 93 Ų | 93 | 118 Ų | 118 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | cis | -142.3 | -162.2 | 5.3 | 24.6 | 4.4 | 0 | 0 | 0 | 115.8 | ||||
| 1063 | H | 25.3 | Very low | 25.2 | Very low | 170 Ų | 170 | 120.1 Ų | 120.1 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | trans | 88.9 | 138.6 | 160 | -60 | -58.2 | 0 | 0 | 0 | 119.2 | ||||
| 1064 | S | 28.4 | Very low | 25.3 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | cis | -171.6 | 144.1 | -11.5 | 47 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1065 | T | 26.4 | Very low | 25.2 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | trans | 60.6 | 147.8 | 139.3 | 59 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1066 | D | 24.1 | Very low | 25.4 | Very low | 125 Ų | 125 | 109.7 Ų | 109.7 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | cis | -162 | 166.7 | -5.4 | -121 | -26.4 | 0 | 0 | 0 | 113.1 | ||||
| 1067 | H | 27.1 | Very low | 25.6 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 68% | 0.681 | 63% | 0.627 | S | S | * | * | trans | 137.2 | 91.5 | 145.2 | -71.9 | -49.1 | 0 | 0 | 0 | 112.5 | ||||
| 1068 | S | 24.1 | Very low | 25.9 | Very low | 88 Ų | 88 | 112.2 Ų | 112.2 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | 81.9 | 21.3 | 57.2 | 88.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1069 | V | 25.1 | Very low | 26.3 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | trans | -144.2 | 64.9 | 166.5 | -164.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1070 | S | 23.7 | Very low | 26.6 | Very low | 70 Ų | 70 | 111.5 Ų | 111.5 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | trans | -157.6 | 4.4 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 118.5 | L1072 Y1073 | S1070-L1072 PolarHBondContact O-N 2.88Å; S1070-Y1073 PolarHBondContact O-N 2.79Å | ||
| 1071 | V | 24.9 | Very low | 26.8 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 3 | -160.5 | -168.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1072 | L | 26.5 | Very low | 26.7 | Very low | 165 Ų | 165 | 115.4 Ų | 115.4 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -14.2 | 171.7 | -85.4 | 169.9 | 0 | 0 | 0 | 114.9 | S1070 | S1070-L1072 PolarHBondContact O-N 2.88Š|
| 1073 | Y | 25.4 | Very low | 26.7 | Very low | 150 Ų | 150 | 114 Ų | 114 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -17.2 | -171 | -100.3 | -87.6 | 0 | 0 | 0 | 116.2 | D245 S1070 G1075 A1076 | D245-Y1073 PolarHBondContact OD2-OH 2.91Å; S1070-Y1073 PolarHBondContact O-N 2.79Å; Y1073-G1075 VanDerWaalsContact C-N 3.25Å; Y1073-G1075 PolarHBondContact O-N 3.01Å; Y1073-A1076 PolarHBondContact O-N 3.49Å |
| 1074 | Q | 24.1 | Very low | 27.4 | Very low | 147 Ų | 147 | 108.2 Ų | 108.2 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -73.7 | -11.9 | -176.9 | -73.1 | -176.9 | -25.5 | 0 | 0 | 114.5 | A1076 | Q1074-A1076 PolarHBondContact O-N 2.92Š|
| 1075 | G | 24.2 | Very low | 28.3 | Very low | 75 Ų | 75 | 107.7 Ų | 107.7 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -66.1 | -18.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1073 | Y1073-G1075 VanDerWaalsContact C-N 3.25Å; Y1073-G1075 PolarHBondContact O-N 3.01Å |
| 1076 | A | 25.7 | Very low | 29.4 | Very low | 29 Ų | 29 | 106 Ų | 106 | 24% | 0.24 | 58% | 0.583 | C | S | . | * | G | 310 helix | trans | -79.3 | -24.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1073 Q1074 Q1078 R1079 | Y1073-A1076 PolarHBondContact O-N 3.49Å; Q1074-A1076 PolarHBondContact O-N 2.92Å; A1076-Q1078 PolarHBondContact O-N 2.9Å; A1076-R1079 WeakPolarHBondContact O-CB 3.43Å; A1076-R1079 WeakPolarHBondContact O-CG 3.43Å; A1076-R1079 PolarHBondContact O-N 2.95Å |
| 1077 | N | 26.4 | Very low | 31.1 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 68% | 0.684 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 1.3 | -166.4 | -72.3 | 4.7 | 0 | 0 | 0 | 115.4 | ||
| 1078 | Q | 28 | Very low | 33.1 | Very low | 141 Ų | 141 | 97.5 Ų | 97.5 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7.5 | 166.4 | -71.5 | -168.8 | -24.2 | 0 | 0 | 113.7 | A1076 C1080 | A1076-Q1078 PolarHBondContact O-N 2.9Å; Q1078-C1080 VanDerWaalsContact C-N 3.27Å; Q1078-C1080 PolarHBondContact O-N 3.1Å |
| 1079 | R | 31.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 93.8 Ų | 93.8 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -66.5 | -17.2 | -179 | -77.7 | 173.9 | 166.4 | -172.7 | -10.7 | 115 | D242 A1076 | D242-R1079 VanDerWaalsContact CG-NH2 3.31Å; D242-R1079 IonicContact OD1-CZ 2.71Å; D242-R1079 VanDerWaalsContact OD1-CZ 3.25Å; D242-R1079 IonicContact OD1-NH1 2.65Å; D242-R1079 PolarHBondContact OD1-NH1 3.43Å; D242-R1079 IonicContact OD1-NH2 2.72Å; D242-R1079 PolarHBondContact OD1-NH2 2.84Å; D242-R1079 IonicContact OD2-CZ 3.61Å; D242-R1079 IonicContact OD2-NH2 3.73Å; D242-R1079 PolarHBondContact OD2-NH2 2.6Å; A1076-R1079 WeakPolarHBondContact O-CB 3.43Å; A1076-R1079 WeakPolarHBondContact O-CG 3.43Å; A1076-R1079 PolarHBondContact O-N 2.95Å |
| 1080 | C | 28.9 | Very low | 38.9 | Very low | 56 Ų | 56 | 87.7 Ų | 87.7 | 38% | 0.378 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -129.3 | -2.5 | -162.7 | -61 | 0 | 0 | 0 | 0 | 117.7 | Q1078 S1082 | Q1078-C1080 VanDerWaalsContact C-N 3.27Å; Q1078-C1080 PolarHBondContact O-N 3.1Å; C1080-S1082 PolarHBondContact O-N 2.92Å |
| 1081 | F | 26.1 | Very low | 42.2 | Very low | 209 Ų | 209 | 84.4 Ų | 84.4 | 92% | 0.917 | 45% | 0.452 | S | S | * | . | trans | -81.1 | 56.5 | -178 | -95.8 | -81.5 | 0 | 0 | 0 | 114.1 | ||||
| 1082 | S | 31.4 | Very low | 45.4 | Very low | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -153.6 | 82.1 | 159.8 | 64.6 | 0 | 0 | 0 | 0 | 108.4 | C1080 V1084 Q1085 | C1080-S1082 PolarHBondContact O-N 2.92Å; S1082-V1084 CarbonylContact O-C 3.43Å; S1082-V1084 VanDerWaalsContact O-C 3.26Å; S1082-V1084 PolarHBondContact O-N 2.78Å; S1082-V1084 VanDerWaalsContact O-N 3.09Å; S1082-Q1085 PolarHBondContact O-N 2.8Å; S1082-Q1085 VanDerWaalsContact OG-CG 3.23Å; S1082-Q1085 WeakPolarHBondContact OG-CG 3.48Å | ||
| 1083 | S | 33.1 | Very low | 48.6 | Very low | 63 Ų | 63 | 70.2 Ų | 70.2 | 44% | 0.441 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -65.3 | -9.1 | -176.3 | 48 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1084 | V | 40.8 | Very low | 51.8 | Low | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -125 | 118.9 | 146.2 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | S1082 V1086 M1157 M1160 | S1082-V1084 CarbonylContact O-C 3.43Å; S1082-V1084 VanDerWaalsContact O-C 3.26Å; S1082-V1084 PolarHBondContact O-N 2.78Å; S1082-V1084 VanDerWaalsContact O-N 3.09Å; V1084-V1086 PolarHBondContact O-N 2.99Å; V1084-M1157 HydrophobicContact CG2-CE 4.4Å; V1084-M1160 HydrophobicContact CG1-CE 4.09Å; V1084-M1160 HydrophobicContact CG1-SD 4.43Å; V1084-M1160 HydrophobicContact CG2-SD 4.4Å |
| 1085 | Q | 48.3 | Very low | 55.1 | Low | 61 Ų | 61 | 56.4 Ų | 56.4 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | trans | -71.3 | 113.7 | 168.3 | -90.2 | -168.6 | 3.5 | 0 | 0 | 108.7 | S1082 D1087 | S1082-Q1085 PolarHBondContact O-N 2.8Å; S1082-Q1085 VanDerWaalsContact OG-CG 3.23Å; S1082-Q1085 WeakPolarHBondContact OG-CG 3.48Å; Q1085-D1087 PolarHBondContact O-N 2.81Å; Q1085-D1087 VanDerWaalsContact O-N 3.07Å | ||
| 1086 | V | 48.1 | Very low | 58.3 | Low | 82 Ų | 82 | 53.4 Ų | 53.4 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -59.8 | 113 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V1084 Y1088 | V1084-V1086 PolarHBondContact O-N 2.99Å; V1086-Y1088 HydrophobicContact CB-CE1 4.23Å; V1086-Y1088 HydrophobicContact CG1-CD1 4.15Å; V1086-Y1088 HydrophobicContact CG1-CE1 3.6Å; V1086-Y1088 PolarHBondContact O-N 2.83Å; V1086-Y1088 VanDerWaalsContact O-N 3.11Å | ||
| 1087 | D | 61 | Low | 61.4 | Low | 26 Ų | 26 | 52.2 Ų | 52.2 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | trans | -82.9 | 96.6 | -171.8 | -135.7 | -47.7 | 0 | 0 | 0 | 111.3 | K9 Q1085 T1089 | K9-D1087 IonicContact NZ-OD1 3.1Å; K9-D1087 PolarHBondContact NZ-OD1 3.35Å; K9-D1087 IonicContact NZ-OD2 3.96Å; K9-D1087 PolarHBondContact NZ-OD2 2.99Å; Q1085-D1087 PolarHBondContact O-N 2.81Å; Q1085-D1087 VanDerWaalsContact O-N 3.07Å; D1087-T1089 PolarHBondContact O-N 2.9Å; D1087-T1089 PolarHBondContact OD1-OG1 2.86Å | ||
| 1088 | Y | 68.9 | Low | 64.3 | Low | 66 Ų | 66 | 46.6 Ų | 46.6 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | trans | -70.6 | 22.6 | 179.8 | -59.7 | -57.4 | 0 | 0 | 0 | 115 | G51 K53 V1086 P1151 | G51-Y1088 VanDerWaalsContact CA-CD2 3.48Å; K53-Y1088 PolarHBondContact NZ-O 3.38Å; V1086-Y1088 HydrophobicContact CB-CE1 4.23Å; V1086-Y1088 HydrophobicContact CG1-CD1 4.15Å; V1086-Y1088 HydrophobicContact CG1-CE1 3.6Å; V1086-Y1088 PolarHBondContact O-N 2.83Å; V1086-Y1088 VanDerWaalsContact O-N 3.11Å; Y1088-P1151 HydrophobicContact CD1-CG 4.24Å | ||
| 1089 | T | 82.1 | Confident | 66.7 | Low | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | trans | -77.1 | 121.2 | -178.5 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | D1087 E1226 I1227 I1447 | D1087-T1089 PolarHBondContact O-N 2.9Å; D1087-T1089 PolarHBondContact OD1-OG1 2.86Å; T1089-E1226 WeakPolarHBondContact CA-OE2 3.21Å; T1089-E1226 HydrophobicContact CG2-CB 4.2Å; T1089-E1226 HydrophobicContact CG2-CG 4.5Å; T1089-I1227 HydrophobicContact CG2-CD1 4.07Å; T1089-I1447 HydrophobicContact CG2-CD1 4.24Å; T1089-I1447 HydrophobicContact CG2-CG2 4.03Å | ||
| 1090 | T | 89 | Confident | 68.4 | Low | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | trans | -108.2 | 140.9 | -177.3 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | K53 R1150 D1224 P1225 E1226 I1227 | K53-T1090 PolarHBondContact NZ-OG1 3Å; K53-T1090 VanDerWaalsContact NZ-OG1 3.14Å; T1090-R1150 HydrophobicContact CG2-CB 4.48Å; T1090-R1150 HydrophobicContact CG2-CG 4.09Å; T1090-D1224 PolarHBondContact OG1-O 3.43Å; T1090-D1224 VanDerWaalsContact OG1-O 3.08Å; T1090-P1225 WeakPolarHBondContact OG1-CA 3.49Å; T1090-E1226 PolarHBondContact N-OE2 2.76Å; T1090-E1226 PolarHBondContact O-N 3.29Å; T1090-E1226 PolarHBondContact OG1-OE2 3.02Å; T1090-I1227 PolarHBondContact O-N 2.79Å; T1090-I1227 VanDerWaalsContact O-N 3.11Å | ||
| 1091 | V | 91.3 | Very high | 69.7 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.3 | -173.1 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | F1148 L1149 I1227 I1229 L1438 L1441 I1447 | V1091-F1148 CarbonylContact O-C 3.57Å; V1091-F1148 VanDerWaalsContact O-CA 3.26Å; V1091-F1148 WeakPolarHBondContact O-CA 3.49Å; V1091-L1149 HydrophobicContact CB-CB 4.03Å; V1091-L1149 HydrophobicContact CG2-CB 4.41Å; V1091-L1149 HydrophobicContact CG2-CD2 4.28Å; V1091-L1149 PolarHBondContact N-O 3.29Å; V1091-L1149 PolarHBondContact O-N 3.32Å; V1091-I1227 CarbonylContact C-O 3.56Å; V1091-I1227 WeakPolarHBondContact CA-O 3.24Å; V1091-I1227 HydrophobicContact CG1-CB 4.18Å; V1091-I1227 HydrophobicContact CG1-CG2 4.12Å; V1091-I1227 HydrophobicContact CG2-CB 4.36Å; V1091-I1229 HydrophobicContact CG1-CB 4.38Å; V1091-I1229 HydrophobicContact CG1-CG2 3.73Å; V1091-L1438 HydrophobicContact CB-CD2 4.26Å; V1091-L1438 HydrophobicContact CG1-CD2 3.9Å; V1091-L1441 HydrophobicContact CG1-CD1 4.48Å; V1091-I1447 HydrophobicContact CG2-CD1 3.45Å; V1091-I1447 VanDerWaalsContact CG2-CD1 3.45Å |
| 1092 | A | 92.4 | Very high | 70.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1146 S1147 F1148 P1225 I1227 L1228 I1229 W1238 | A1092-L1146 HydrophobicContact CB-CD1 4.25Å; A1092-S1147 CarbonylContact C-O 3.6Å; A1092-S1147 WeakPolarHBondContact CA-O 3.48Å; A1092-F1148 HydrophobicContact CB-CD1 3.66Å; A1092-F1148 HydrophobicContact CB-CE1 3.64Å; A1092-P1225 HydrophobicContact CB-CB 3.74Å; A1092-P1225 HydrophobicContact CB-CG 3.73Å; A1092-I1227 PolarHBondContact N-O 3.49Å; A1092-L1228 HydrophobicContact CB-CD2 4.04Å; A1092-I1229 PolarHBondContact O-N 2.99Å; A1092-W1238 HydrophobicContact CB-CZ2 4.29Å |
| 1093 | S | 93.6 | Very high | 71.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.6 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | L1146 S1147 I1229 S1434 N1437 | S1093-L1146 WeakPolarHBondContact O-CA 3.41Å; S1093-S1147 PolarHBondContact N-O 3.24Å; S1093-S1147 PolarHBondContact O-N 2.95Å; S1093-I1229 WeakPolarHBondContact CA-O 3.39Å; S1093-S1434 PolarHBondContact O-OG 2.9Å; S1093-S1434 VanDerWaalsContact O-OG 3.11Å; S1093-S1434 PolarHBondContact OG-O 3.16Å; S1093-N1437 WeakPolarHBondContact OG-CB 3.49Å; S1093-N1437 PolarHBondContact OG-ND2 3.14Å |
| 1094 | L | 93.2 | Very high | 71.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.9 | 179.2 | -179.7 | 66.6 | 0 | 0 | 0 | 111.8 | L1096 A1144 L1146 I1229 S1237 W1238 L1241 | L1094-L1096 HydrophobicContact CD1-CD2 3.82Å; L1094-L1096 HydrophobicContact CD2-CD2 4.22Å; L1094-L1096 HydrophobicContact CD2-CG 4.47Å; L1094-L1096 HydrophobicContact CG-CD2 4.09Å; L1094-L1096 HydrophobicContact CG-CG 4.35Å; L1094-A1144 HydrophobicContact CD1-CB 4.14Å; L1094-L1146 HydrophobicContact CB-CD1 4.2Å; L1094-L1146 HydrophobicContact CD1-CB 4.27Å; L1094-L1146 HydrophobicContact CD1-CD1 4.27Å; L1094-I1229 PolarHBondContact N-O 2.92Å; L1094-I1229 VanDerWaalsContact N-O 3.09Å; L1094-S1237 VanDerWaalsContact O-CB 3.23Å; L1094-S1237 WeakPolarHBondContact O-CB 3.34Å; L1094-S1237 PolarHBondContact O-OG 3.26Å; L1094-W1238 HydrophobicContact CB-CD2 4.1Å; L1094-W1238 VanDerWaalsContact CB-CE2 3.47Å; L1094-W1238 HydrophobicContact CB-CH2 4.35Å; L1094-W1238 HydrophobicContact CB-CZ2 3.63Å; L1094-W1238 HydrophobicContact CD2-CD2 3.66Å; L1094-W1238 HydrophobicContact CD2-CE3 3.75Å; L1094-W1238 HydrophobicContact CD2-CG 4.13Å; L1094-W1238 HydrophobicContact CD2-CH2 4.29Å; L1094-W1238 HydrophobicContact CD2-CZ2 4.24Å; L1094-W1238 HydrophobicContact CD2-CZ3 4.07Å; L1094-L1241 HydrophobicContact CD2-CD2 3.85Å |
| 1095 | E | 94.2 | Very high | 71.3 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.9 | 165.1 | -60.6 | -84.9 | 133.4 | 0 | 0 | 109.3 | C1145 Y1231 W1430 R1433 N1437 | E1095-C1145 PolarHBondContact N-O 3.21Å; E1095-C1145 VanDerWaalsContact N-O 3.11Å; E1095-C1145 PolarHBondContact O-N 2.93Å; E1095-Y1231 WeakPolarHBondContact OE1-CB 3.29Å; E1095-Y1231 PolarHBondContact OE1-N 3.34Å; E1095-W1430 HydrophobicContact CB-CE3 3.92Å; E1095-W1430 HydrophobicContact CB-CZ3 4.4Å; E1095-R1433 HydrophobicContact CG-CB 3.84Å; E1095-R1433 IonicContact OE2-NE 3.26Å; E1095-R1433 PolarHBondContact OE2-NE 3.24Å; E1095-N1437 PolarHBondContact OE1-ND2 2.75Å |
| 1096 | L | 91.3 | Very high | 70.4 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.8 | -172.1 | -63.3 | -178.6 | 0 | 0 | 0 | 112.5 | L1094 I1141 A1144 S1237 Y1240 L1241 W1430 | L1094-L1096 HydrophobicContact CD1-CD2 3.82Å; L1094-L1096 HydrophobicContact CD2-CD2 4.22Å; L1094-L1096 HydrophobicContact CD2-CG 4.47Å; L1094-L1096 HydrophobicContact CG-CD2 4.09Å; L1094-L1096 HydrophobicContact CG-CG 4.35Å; L1096-I1141 HydrophobicContact CD1-CD1 4.08Å; L1096-I1141 HydrophobicContact CD1-CG1 4.44Å; L1096-I1141 HydrophobicContact CD2-CG2 4.16Å; L1096-A1144 HydrophobicContact CD2-CB 3.54Å; L1096-S1237 VanDerWaalsContact CD1-O 3.31Å; L1096-S1237 WeakPolarHBondContact CD1-O 3.34Å; L1096-Y1240 HydrophobicContact CD1-CD1 4.11Å; L1096-Y1240 HydrophobicContact CD1-CG 4.43Å; L1096-L1241 HydrophobicContact CD1-CB 4.35Å; L1096-W1430 WeakPolarHBondContact O-CH2 3.39Å |
| 1097 | H | 90 | Very high | 69.6 | Low | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.3 | 157.8 | -168.4 | 33.4 | 0 | 0 | 0 | 109.5 | Q1142 I1143 Y1415 W1430 | H1097-Q1142 WeakPolarHBondContact O-CA 3.46Å; H1097-Q1142 WeakPolarHBondContact O-CB 3.31Å; H1097-Q1142 PolarHBondContact O-N 3.28Å; H1097-I1143 HydrophobicContact CB-CB 3.8Å; H1097-I1143 HydrophobicContact CB-CD1 3.85Å; H1097-I1143 HydrophobicContact CB-CG1 3.96Å; H1097-I1143 PolarHBondContact N-O 2.92Å; H1097-I1143 PolarHBondContact O-N 3.42Å; H1097-Y1415 AromaticContact CD2-CG 3.97Å; H1097-Y1415 AromaticContact NE2-CG 3.95Å; H1097-W1430 HydrophobicContact CB-CG 4.45Å; H1097-W1430 AromaticContact CG-NE1 3.56Å; H1097-W1430 AromaticContact ND1-NE1 3.58Å |
| 1098 | C | 86.9 | Confident | 68.2 | Low | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 160.5 | 173.4 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | P1134 S1140 Y1240 | C1098-P1134 HydrophobicContact CB-CB 3.91Å; C1098-P1134 HydrophobicContact CB-CG 4.35Å; C1098-S1140 CarbonylContact C-O 3.5Å; C1098-S1140 VanDerWaalsContact CA-O 3.27Å; C1098-S1140 WeakPolarHBondContact CA-O 3.32Å; C1098-Y1240 HydrophobicContact CB-CE1 4.3Å; C1098-Y1240 WeakPolarHBondContact SG-CE1 3.42Å |
| 1099 | S | 78.8 | Confident | 66.5 | Low | 23 Ų | 23 | 54.1 Ų | 54.1 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | trans | -58.4 | 161.7 | 165.6 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | D1139 S1140 | S1099-D1139 WeakPolarHBondContact CB-OD1 3.34Å; S1099-D1139 VanDerWaalsContact O-CB 3.3Å; S1099-D1139 WeakPolarHBondContact O-CB 3.48Å; S1099-D1139 VanDerWaalsContact OG-CA 3.29Å; S1099-D1139 WeakPolarHBondContact OG-CA 3.45Å; S1099-D1139 WeakPolarHBondContact OG-CB 3.46Å; S1099-D1139 PolarHBondContact OG-OD1 3.2Å; S1099-S1140 PolarHBondContact N-O 3.15Å; S1099-S1140 PolarHBondContact OG-N 3.17Å | ||
| 1100 | S | 67.1 | Low | 64 | Low | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | trans | -133.9 | 124.7 | 169.4 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | L1102 L1132 D1139 N1412 | S1100-L1102 PolarHBondContact O-N 3.37Å; S1100-L1132 PolarHBondContact OG-O 2.74Å; S1100-L1132 VanDerWaalsContact OG-O 3.12Å; S1100-D1139 WeakPolarHBondContact CA-OD1 3.42Å; S1100-D1139 PolarHBondContact N-OD1 3.34Å; S1100-N1412 PolarHBondContact N-ND2 2.92Å; S1100-N1412 PolarHBondContact O-ND2 2.96Å | ||
| 1101 | R | 55.9 | Low | 61.1 | Low | 121 Ų | 121 | 67.5 Ų | 67.5 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | trans | -65.6 | 89.2 | 176.2 | -72 | -177.6 | 174.5 | -170.5 | 0.2 | 112.5 | I1103 F1138 D1139 | R1101-I1103 PolarHBondContact O-N 3.26Å; R1101-F1138 VanDerWaalsContact CZ-CG 3.46Å; R1101-F1138 PolarHBondContact NE-O 3.36Å; R1101-F1138 VanDerWaalsContact NE-O 3.09Å; R1101-F1138 VanDerWaalsContact NH1-CD1 3.32Å; R1101-F1138 VanDerWaalsContact NH2-CD1 3.28Å; R1101-F1138 PolarHBondContact NH2-O 3.24Å; R1101-D1139 PolarHBondContact N-OD1 2.61Å; R1101-D1139 PolarHBondContact N-OD2 3.19Å | ||
| 1102 | L | 49.8 | Very low | 58.2 | Low | 93 Ų | 93 | 75.1 Ų | 75.1 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | trans | -62.5 | 116.6 | 153.5 | -74.1 | 172 | 0 | 0 | 0 | 108.7 | S1100 K1104 A1409 | S1100-L1102 PolarHBondContact O-N 3.37Å; L1102-K1104 PolarHBondContact O-N 2.61Å; L1102-A1409 HydrophobicContact CD2-CB 4.41Å | ||
| 1103 | I | 44.5 | Very low | 55.3 | Low | 99 Ų | 99 | 82.6 Ų | 82.6 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | trans | -64.5 | 101.9 | 176.3 | -58.4 | -176 | 0 | 0 | 0 | 108.8 | R1101 S1105 L1128 | R1101-I1103 PolarHBondContact O-N 3.26Å; I1103-S1105 PolarHBondContact O-N 3.42Å; I1103-L1128 HydrophobicContact CD1-CD2 3.87Å | ||
| 1104 | K | 35.6 | Very low | 52.2 | Low | 162 Ų | 162 | 86.7 Ų | 86.7 | 70% | 0.704 | 46% | 0.461 | S | S | * | . | trans | -56.5 | 122.2 | 170.5 | -73.1 | -176.4 | 178.4 | 177.6 | 0 | 108.5 | L1102 Q1106 | L1102-K1104 PolarHBondContact O-N 2.61Å; K1104-Q1106 PolarHBondContact O-N 3.2Å | ||
| 1105 | S | 35.7 | Very low | 49.5 | Very low | 103 Ų | 103 | 94.7 Ų | 94.7 | 72% | 0.72 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -72.5 | 26.1 | -174.6 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | I1103 | I1103-S1105 PolarHBondContact O-N 3.42Š|
| 1106 | Q | 29.1 | Very low | 46.6 | Very low | 151 Ų | 151 | 102.9 Ų | 102.9 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -90.4 | -16.2 | -172.1 | -67.1 | 179.1 | -71.2 | 0 | 0 | 113.1 | K1104 L1108 | K1104-Q1106 PolarHBondContact O-N 3.2Å; Q1106-L1108 VanDerWaalsContact C-N 3.26Å; Q1106-L1108 PolarHBondContact O-N 3.21Å |
| 1107 | S | 30.3 | Very low | 43.8 | Very low | 104 Ų | 104 | 107.2 Ų | 107.2 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -82.4 | 9.5 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1108 | L | 32.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -123.2 | 27.7 | -174.2 | -98.1 | 164.7 | 0 | 0 | 0 | 113.6 | Q1106 N1110 | Q1106-L1108 VanDerWaalsContact C-N 3.26Å; Q1106-L1108 PolarHBondContact O-N 3.21Å; L1108-N1110 VanDerWaalsContact C-N 3.25Å; L1108-N1110 PolarHBondContact O-N 2.89Å |
| 1109 | S | 32.5 | Very low | 39.1 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | trans | -69.3 | -12 | 178.8 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | Q1111 | S1109-Q1111 VanDerWaalsContact C-N 3.34Å; S1109-Q1111 PolarHBondContact O-N 3.12Å | ||
| 1110 | N | 29.7 | Very low | 37.3 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | trans | -75.2 | 78.6 | 174.1 | -80.1 | -22 | 0 | 0 | 0 | 111.9 | L1108 N1112 | L1108-N1110 VanDerWaalsContact C-N 3.25Å; L1108-N1110 PolarHBondContact O-N 2.89Å; N1110-N1112 VanDerWaalsContact C-N 3.3Å; N1110-N1112 PolarHBondContact O-N 2.65Å | ||
| 1111 | Q | 28.4 | Very low | 36.1 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -68.2 | -14.7 | -171.4 | -73.8 | -173.2 | -28.7 | 0 | 0 | 116.2 | S1109 N1113 | S1109-Q1111 VanDerWaalsContact C-N 3.34Å; S1109-Q1111 PolarHBondContact O-N 3.12Å; Q1111-N1113 PolarHBondContact O-N 3.39Å |
| 1112 | N | 31.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 87% | 0.866 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -82.6 | 3.9 | -162 | -72.6 | -8.7 | 0 | 0 | 0 | 117.5 | N1110 | N1110-N1112 VanDerWaalsContact C-N 3.3Å; N1110-N1112 PolarHBondContact O-N 2.65Å |
| 1113 | N | 30 | Very low | 35.1 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 84% | 0.84 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -121.8 | 18.1 | -176.1 | -94.7 | -39.7 | 0 | 0 | 0 | 115.5 | Q1111 N1115 | Q1111-N1113 PolarHBondContact O-N 3.39Å; N1113-N1115 PolarHBondContact O-N 2.83Å |
| 1114 | L | 30.2 | Very low | 34.8 | Very low | 86 Ų | 86 | 120 Ų | 120 | 45% | 0.45 | 64% | 0.636 | S | S | . | * | trans | -80 | -8.7 | -166.1 | -100.2 | 153.6 | 0 | 0 | 0 | 117.4 | K1116 L1117 | L1114-K1116 VanDerWaalsContact C-N 3.31Å; L1114-K1116 PolarHBondContact O-N 3.46Å; L1114-K1116 VanDerWaalsContact O-N 3.13Å; L1114-L1117 HydrophobicContact CD2-CD1 3.92Å | ||
| 1115 | N | 35.5 | Very low | 35 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 90% | 0.898 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 24.5 | -170.3 | -74.6 | -19.9 | 0 | 0 | 0 | 116.4 | N1113 | N1113-N1115 PolarHBondContact O-N 2.83Š|
| 1116 | K | 34.5 | Very low | 35.3 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 78% | 0.778 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 4.3 | -178.7 | -86.2 | -171.2 | 178.7 | 178.1 | 0 | 116.6 | L1114 | L1114-K1116 VanDerWaalsContact C-N 3.31Å; L1114-K1116 PolarHBondContact O-N 3.46Å; L1114-K1116 VanDerWaalsContact O-N 3.13Å |
| 1117 | L | 31.3 | Very low | 35.9 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | trans | -82.4 | 122.9 | -172.5 | -64.8 | 175 | 0 | 0 | 0 | 113.2 | L1114 N1121 | L1114-L1117 HydrophobicContact CD2-CD1 3.92Å; L1117-N1121 HydrophobicContact CB-CB 4.49Å | ||
| 1118 | T | 37.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 108.8 Ų | 108.8 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | trans | -80.8 | 169 | -178 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | S1120 N1121 Y2038 | T1118-S1120 PolarHBondContact O-N 3.13Å; T1118-N1121 PolarHBondContact O-N 3.29Å; T1118-N1121 VanDerWaalsContact O-N 3.11Å; T1118-Y2038 HydrophobicContact CG2-CE1 4.47Å | ||
| 1119 | Q | 41.8 | Very low | 37.2 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.5 | -25.9 | -170.9 | -69.7 | -166.5 | -87.7 | 0 | 0 | 115.7 | N1121 L1122 I1123 | Q1119-N1121 VanDerWaalsContact C-N 3.26Å; Q1119-N1121 PolarHBondContact O-N 3.05Å; Q1119-L1122 WeakPolarHBondContact O-CB 3.36Å; Q1119-L1122 PolarHBondContact O-N 3.22Å; Q1119-L1122 VanDerWaalsContact O-N 3.1Å; Q1119-I1123 PolarHBondContact O-N 2.83Å |
| 1120 | S | 40.3 | Very low | 37.9 | Very low | 69 Ų | 69 | 104.3 Ų | 104.3 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.1 | -37.5 | 177.6 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | T1118 L1122 I1123 K1124 | T1118-S1120 PolarHBondContact O-N 3.13Å; S1120-L1122 VanDerWaalsContact C-N 3.26Å; S1120-L1122 PolarHBondContact O-N 3.18Å; S1120-I1123 PolarHBondContact O-N 3.21Å; S1120-K1124 PolarHBondContact O-N 2.79Å |
| 1121 | N | 41.5 | Very low | 39.4 | Very low | 61 Ų | 61 | 98.1 Ų | 98.1 | 33% | 0.326 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -21.9 | 179.3 | -67.8 | -67.7 | 0 | 0 | 0 | 113.1 | L1117 T1118 Q1119 R1125 | L1117-N1121 HydrophobicContact CB-CB 4.49Å; T1118-N1121 PolarHBondContact O-N 3.29Å; T1118-N1121 VanDerWaalsContact O-N 3.11Å; Q1119-N1121 VanDerWaalsContact C-N 3.26Å; Q1119-N1121 PolarHBondContact O-N 3.05Å; N1121-R1125 WeakPolarHBondContact O-CB 3.33Å; N1121-R1125 WeakPolarHBondContact O-CG 3.27Å; N1121-R1125 PolarHBondContact O-N 3.01Å |
| 1122 | L | 41.1 | Very low | 41.4 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 67% | 0.665 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.8 | -39.6 | 176.9 | -128.8 | 161.4 | 0 | 0 | 0 | 110.8 | Q1119 S1120 R1125 S1126 | Q1119-L1122 WeakPolarHBondContact O-CB 3.36Å; Q1119-L1122 PolarHBondContact O-N 3.22Å; Q1119-L1122 VanDerWaalsContact O-N 3.1Å; S1120-L1122 VanDerWaalsContact C-N 3.26Å; S1120-L1122 PolarHBondContact O-N 3.18Å; L1122-R1125 PolarHBondContact O-N 3.08Å; L1122-S1126 PolarHBondContact O-N 2.92Å; L1122-S1126 VanDerWaalsContact O-N 3.1Å; L1122-S1126 PolarHBondContact O-OG 3.37Å |
| 1123 | I | 43.5 | Very low | 43.8 | Very low | 85 Ų | 85 | 87.3 Ų | 87.3 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 172.2 | -64.6 | 172.1 | 0 | 0 | 0 | 110.7 | Q1119 S1120 R1125 S1126 L1127 M1890 | Q1119-I1123 PolarHBondContact O-N 2.83Å; S1120-I1123 PolarHBondContact O-N 3.21Å; I1123-R1125 VanDerWaalsContact C-N 3.35Å; I1123-R1125 PolarHBondContact O-N 2.64Å; I1123-S1126 PolarHBondContact O-N 2.88Å; I1123-S1126 PolarHBondContact O-OG 2.83Å; I1123-L1127 HydrophobicContact CG2-CD1 3.8Å; I1123-L1127 PolarHBondContact O-N 2.95Å; I1123-L1127 VanDerWaalsContact O-N 3.11Å; I1123-M1890 HydrophobicContact CG2-CE 4.47Å |
| 1124 | K | 39.7 | Very low | 46.6 | Very low | 94 Ų | 94 | 80 Ų | 80 | 41% | 0.409 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 172.2 | -72 | -161.1 | 170 | -152.2 | 0 | 111.5 | S1120 S1126 L1127 L1128 S1889 | S1120-K1124 PolarHBondContact O-N 2.79Å; K1124-S1126 VanDerWaalsContact C-N 3.34Å; K1124-S1126 PolarHBondContact O-N 3.01Å; K1124-L1127 PolarHBondContact O-N 2.9Å; K1124-L1128 WeakPolarHBondContact O-CB 3.47Å; K1124-L1128 WeakPolarHBondContact O-CG 3.31Å; K1124-L1128 PolarHBondContact O-N 3.39Å; K1124-S1889 VanDerWaalsContact CE-O 3.24Å; K1124-S1889 WeakPolarHBondContact CE-O 3.4Å; K1124-S1889 PolarHBondContact NZ-O 3.5Å |
| 1125 | R | 39.9 | Very low | 49.3 | Very low | 135 Ų | 135 | 77.7 Ų | 77.7 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -27.3 | 178.5 | -82.2 | 179.6 | 172.1 | -177.3 | -2.2 | 115.2 | N1121 L1122 I1123 | N1121-R1125 WeakPolarHBondContact O-CB 3.33Å; N1121-R1125 WeakPolarHBondContact O-CG 3.27Å; N1121-R1125 PolarHBondContact O-N 3.01Å; L1122-R1125 PolarHBondContact O-N 3.08Å; I1123-R1125 VanDerWaalsContact C-N 3.35Å; I1123-R1125 PolarHBondContact O-N 2.64Å |
| 1126 | S | 41.1 | Very low | 51.8 | Low | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.7 | -38.4 | 172.7 | 47 | 0 | 0 | 0 | 0 | 112.5 | L1122 I1123 K1124 K1129 C1130 | L1122-S1126 PolarHBondContact O-N 2.92Å; L1122-S1126 VanDerWaalsContact O-N 3.1Å; L1122-S1126 PolarHBondContact O-OG 3.37Å; I1123-S1126 PolarHBondContact O-N 2.88Å; I1123-S1126 PolarHBondContact O-OG 2.83Å; K1124-S1126 VanDerWaalsContact C-N 3.34Å; K1124-S1126 PolarHBondContact O-N 3.01Å; S1126-K1129 WeakPolarHBondContact O-CB 3.35Å; S1126-K1129 PolarHBondContact O-N 3.18Å; S1126-C1130 PolarHBondContact O-SG 2.78Å |
| 1127 | L | 42.3 | Very low | 54.3 | Low | 26 Ų | 26 | 65.2 Ų | 65.2 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.5 | -34 | -178.4 | -70.8 | 163.4 | 0 | 0 | 0 | 112.6 | I1123 K1124 K1129 C1130 M1890 H1923 Y1926 | I1123-L1127 HydrophobicContact CG2-CD1 3.8Å; I1123-L1127 PolarHBondContact O-N 2.95Å; I1123-L1127 VanDerWaalsContact O-N 3.11Å; K1124-L1127 PolarHBondContact O-N 2.9Å; L1127-K1129 PolarHBondContact O-N 2.81Å; L1127-C1130 WeakPolarHBondContact O-CB 3.49Å; L1127-C1130 PolarHBondContact O-N 2.75Å; L1127-M1890 HydrophobicContact CD1-CE 3.63Å; L1127-M1890 HydrophobicContact CD1-CG 4.11Å; L1127-M1890 HydrophobicContact CD1-SD 3.59Å; L1127-M1890 VanDerWaalsContact CD1-SD 3.59Å; L1127-H1923 VanDerWaalsContact CD2-O 3.26Å; L1127-H1923 WeakPolarHBondContact CD2-O 3.41Å; L1127-Y1926 HydrophobicContact CD2-CD2 3.95Å |
| 1128 | L | 44.4 | Very low | 56.8 | Low | 67 Ų | 67 | 65.1 Ų | 65.1 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10 | 169.8 | -67.7 | 171.3 | 0 | 0 | 0 | 113.9 | I1103 K1124 L1132 | I1103-L1128 HydrophobicContact CD1-CD2 3.87Å; K1124-L1128 WeakPolarHBondContact O-CB 3.47Å; K1124-L1128 WeakPolarHBondContact O-CG 3.31Å; K1124-L1128 PolarHBondContact O-N 3.39Å; L1128-L1132 HydrophobicContact CD2-CD2 4.4Å |
| 1129 | K | 44.5 | Very low | 59.3 | Low | 96 Ų | 96 | 62 Ų | 62 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10 | 168.9 | -76.2 | -173.2 | 168.9 | -170 | 0 | 114 | S1126 L1127 G1131 W1930 | S1126-K1129 WeakPolarHBondContact O-CB 3.35Å; S1126-K1129 PolarHBondContact O-N 3.18Å; L1127-K1129 PolarHBondContact O-N 2.81Å; K1129-G1131 VanDerWaalsContact C-N 3.34Å; K1129-W1930 PolarHBondContact NZ-O 3.47Å |
| 1130 | C | 48.4 | Very low | 61.5 | Low | 25 Ų | 25 | 57.8 Ų | 57.8 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -87.3 | -7.3 | -177.1 | -59 | 0 | 0 | 0 | 0 | 113.1 | S1126 L1127 A1409 Y1926 | S1126-C1130 PolarHBondContact O-SG 2.78Å; L1127-C1130 WeakPolarHBondContact O-CB 3.49Å; L1127-C1130 PolarHBondContact O-N 2.75Å; C1130-A1409 WeakPolarHBondContact O-CB 3.25Å; C1130-Y1926 HydrophobicContact CB-CD2 4.08Å; C1130-Y1926 HydrophobicContact CB-CE2 4.27Å; C1130-Y1926 HydrophobicContact CB-CG 4.36Å; C1130-Y1926 VanDerWaalsContact SG-CB 3.56Å; C1130-Y1926 VanDerWaalsContact SG-CD2 3.55Å; C1130-Y1926 VanDerWaalsContact SG-CG 3.52Å |
| 1131 | G | 60.3 | Low | 63.9 | Low | 21 Ų | 21 | 54.5 Ų | 54.5 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | trans | 92.9 | 135.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1129 | K1129-G1131 VanDerWaalsContact C-N 3.34Š| ||
| 1132 | L | 70.8 | Confident | 66.3 | Low | 44 Ų | 44 | 52.3 Ų | 52.3 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 151.9 | 158 | -64.7 | 169.1 | 0 | 0 | 0 | 108.4 | S1100 L1128 D1891 | S1100-L1132 PolarHBondContact OG-O 2.74Å; S1100-L1132 VanDerWaalsContact OG-O 3.12Å; L1128-L1132 HydrophobicContact CD2-CD2 4.4Å; L1132-D1891 WeakPolarHBondContact CA-OD2 3.48Å; L1132-D1891 HydrophobicContact CD2-CB 3.8Å |
| 1133 | I | 82.6 | Confident | 68.7 | Low | 45 Ų | 45 | 46.2 Ų | 46.2 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 131.8 | 166.9 | -64.3 | 172.8 | 0 | 0 | 0 | 107.5 | D1135 F1236 D1891 R1893 | I1133-D1135 PolarHBondContact O-N 3.08Å; I1133-F1236 HydrophobicContact CG2-CE1 3.94Å; I1133-F1236 HydrophobicContact CG2-CZ 3.78Å; I1133-D1891 PolarHBondContact N-OD2 2.99Å; I1133-R1893 HydrophobicContact CB-CB 4.04Å; I1133-R1893 HydrophobicContact CG2-CB 4.17Å |
| 1134 | P | 87.1 | Confident | 71.1 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 138.7 | 179.6 | -28.3 | 36.1 | 0 | 0 | 0 | 112.8 | C1098 D1139 Y1240 F1408 | C1098-P1134 HydrophobicContact CB-CB 3.91Å; C1098-P1134 HydrophobicContact CB-CG 4.35Å; P1134-D1139 HydrophobicContact CB-CB 4.28Å; P1134-Y1240 HydrophobicContact CB-CE2 3.87Å; P1134-F1408 HydrophobicContact CG-CB 4.28Å; P1134-F1408 HydrophobicContact CG-CD1 4.11Å; P1134-F1408 HydrophobicContact CG-CG 4.14Å |
| 1135 | D | 87.1 | Confident | 73.7 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 20% | 0.198 | 19% | 0.193 | C | C | . | . | trans | -115.5 | 120.7 | -176.1 | 177.9 | -27.6 | 0 | 0 | 0 | 109.5 | I1133 I1137 F1138 D1139 Y1240 R1893 | I1133-D1135 PolarHBondContact O-N 3.08Å; D1135-I1137 PolarHBondContact O-N 2.86Å; D1135-I1137 VanDerWaalsContact O-N 3.12Å; D1135-I1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-I1137 WeakPolarHBondContact OD1-CB 3.25Å; D1135-I1137 WeakPolarHBondContact OD1-CG1 3.48Å; D1135-I1137 PolarHBondContact OD1-N 3.31Å; D1135-F1138 HydrophobicContact CB-CB 4.11Å; D1135-F1138 HydrophobicContact CB-CD2 4.32Å; D1135-F1138 PolarHBondContact O-N 2.91Å; D1135-F1138 WeakPolarHBondContact OD2-CD2 3.29Å; D1135-D1139 PolarHBondContact O-N 3.42Å; D1135-Y1240 PolarHBondContact O-OH 3.43Å; D1135-R1893 HydrophobicContact CB-CG 4.5Å | ||
| 1136 | P | 88.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.7 | -179 | -29.8 | 38.4 | 0 | 0 | 0 | 115.9 | F1138 Y1240 E1243 R1244 | P1136-F1138 PolarHBondContact O-N 3.42Å; P1136-Y1240 HydrophobicContact CB-CE1 4.32Å; P1136-Y1240 HydrophobicContact CB-CE2 4.47Å; P1136-Y1240 HydrophobicContact CG-CD1 4.16Å; P1136-Y1240 HydrophobicContact CG-CD2 3.56Å; P1136-Y1240 HydrophobicContact CG-CE1 4.19Å; P1136-Y1240 HydrophobicContact CG-CE2 3.62Å; P1136-Y1240 HydrophobicContact CG-CG 3.82Å; P1136-E1243 HydrophobicContact CB-CB 3.56Å; P1136-E1243 HydrophobicContact CG-CB 3.87Å; P1136-E1243 WeakPolarHBondContact CG-OE2 3.28Å; P1136-R1244 HydrophobicContact CB-CB 4.36Å; P1136-R1244 WeakPolarHBondContact O-CD 3.41Å; P1136-R1244 PolarHBondContact O-NH1 3.26Å |
| 1137 | I | 86.5 | Confident | 78.8 | Confident | 84 Ų | 84 | 28.6 Ų | 28.6 | 43% | 0.431 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.2 | 175.3 | -55.2 | 176.5 | 0 | 0 | 0 | 110 | D1135 R1244 H1247 | D1135-I1137 PolarHBondContact O-N 2.86Å; D1135-I1137 VanDerWaalsContact O-N 3.12Å; D1135-I1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-I1137 WeakPolarHBondContact OD1-CB 3.25Å; D1135-I1137 WeakPolarHBondContact OD1-CG1 3.48Å; D1135-I1137 PolarHBondContact OD1-N 3.31Å; I1137-R1244 PolarHBondContact O-NH1 2.95Å; I1137-H1247 PolarHBondContact O-NE2 2.91Å; I1137-H1247 VanDerWaalsContact O-NE2 3.16Å |
| 1138 | F | 84.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 27.5 Ų | 27.5 | 45% | 0.447 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -24.5 | -151.4 | -80.3 | -27.1 | 0 | 0 | 0 | 115.9 | R1101 D1135 P1136 | R1101-F1138 VanDerWaalsContact CZ-CG 3.46Å; R1101-F1138 PolarHBondContact NE-O 3.36Å; R1101-F1138 VanDerWaalsContact NE-O 3.09Å; R1101-F1138 VanDerWaalsContact NH1-CD1 3.32Å; R1101-F1138 VanDerWaalsContact NH2-CD1 3.28Å; R1101-F1138 PolarHBondContact NH2-O 3.24Å; D1135-F1138 HydrophobicContact CB-CB 4.11Å; D1135-F1138 HydrophobicContact CB-CD2 4.32Å; D1135-F1138 PolarHBondContact O-N 2.91Å; D1135-F1138 WeakPolarHBondContact OD2-CD2 3.29Å; P1136-F1138 PolarHBondContact O-N 3.42Å |
| 1139 | D | 88.3 | Confident | 83.2 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | trans | -117.4 | 137.2 | 178.8 | -84.1 | -58.8 | 0 | 0 | 0 | 110.2 | S1099 S1100 R1101 P1134 D1135 Y1240 | S1099-D1139 WeakPolarHBondContact CB-OD1 3.34Å; S1099-D1139 VanDerWaalsContact O-CB 3.3Å; S1099-D1139 WeakPolarHBondContact O-CB 3.48Å; S1099-D1139 VanDerWaalsContact OG-CA 3.29Å; S1099-D1139 WeakPolarHBondContact OG-CA 3.45Å; S1099-D1139 WeakPolarHBondContact OG-CB 3.46Å; S1099-D1139 PolarHBondContact OG-OD1 3.2Å; S1100-D1139 WeakPolarHBondContact CA-OD1 3.42Å; S1100-D1139 PolarHBondContact N-OD1 3.34Å; R1101-D1139 PolarHBondContact N-OD1 2.61Å; R1101-D1139 PolarHBondContact N-OD2 3.19Å; P1134-D1139 HydrophobicContact CB-CB 4.28Å; D1135-D1139 PolarHBondContact O-N 3.42Å; D1139-Y1240 PolarHBondContact O-OH 3.46Å | ||
| 1140 | S | 88.2 | Confident | 84.7 | Confident | 28 Ų | 28 | 23.3 Ų | 23.3 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | trans | -97.1 | 149.2 | -174.2 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | C1098 S1099 Q1142 E1209 | C1098-S1140 CarbonylContact C-O 3.5Å; C1098-S1140 VanDerWaalsContact CA-O 3.27Å; C1098-S1140 WeakPolarHBondContact CA-O 3.32Å; S1099-S1140 PolarHBondContact N-O 3.15Å; S1099-S1140 PolarHBondContact OG-N 3.17Å; S1140-Q1142 PolarHBondContact OG-NE2 3.18Å; S1140-E1209 VanDerWaalsContact CA-OE1 3.31Å; S1140-E1209 WeakPolarHBondContact CA-OE1 3.42Å; S1140-E1209 VanDerWaalsContact CB-OE2 3.25Å; S1140-E1209 WeakPolarHBondContact CB-OE2 3.31Å | ||
| 1141 | I | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.2 | 174.1 | -57.1 | 173.6 | 0 | 0 | 0 | 108.9 | L1096 H1173 E1209 L1212 Y1240 L1241 R1244 | L1096-I1141 HydrophobicContact CD1-CD1 4.08Å; L1096-I1141 HydrophobicContact CD1-CG1 4.44Å; L1096-I1141 HydrophobicContact CD2-CG2 4.16Å; I1141-H1173 PolarHBondContact O-ND1 3.37Å; I1141-E1209 PolarHBondContact N-OE1 3.02Å; I1141-L1212 HydrophobicContact CB-CD2 4.44Å; I1141-L1212 HydrophobicContact CG2-CD1 4.21Å; I1141-L1212 HydrophobicContact CG2-CD2 3.76Å; I1141-Y1240 HydrophobicContact CG1-CD1 4.38Å; I1141-Y1240 HydrophobicContact CG1-CE1 4.14Å; I1141-L1241 HydrophobicContact CD1-CD1 3.47Å; I1141-L1241 VanDerWaalsContact CD1-CD1 3.47Å; I1141-R1244 HydrophobicContact CD1-CB 4.49Å; I1141-R1244 HydrophobicContact CD1-CG 4.21Å; I1141-R1244 HydrophobicContact CG1-CG 4.37Å |
| 1142 | Q | 90.4 | Very high | 85.5 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -42.3 | -176.6 | -64 | -60.6 | -43.2 | 0 | 0 | 111.6 | H1097 S1140 H1173 S1176 Y1415 | H1097-Q1142 WeakPolarHBondContact O-CA 3.46Å; H1097-Q1142 WeakPolarHBondContact O-CB 3.31Å; H1097-Q1142 PolarHBondContact O-N 3.28Å; S1140-Q1142 PolarHBondContact OG-NE2 3.18Å; Q1142-H1173 PolarHBondContact O-N 3.38Å; Q1142-S1176 PolarHBondContact OE1-OG 3.05Å; Q1142-Y1415 HydrophobicContact CB-CE1 3.89Å; Q1142-Y1415 HydrophobicContact CG-CE1 4.3Å |
| 1143 | I | 91.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.6 | 173.1 | -46.2 | 163.8 | 0 | 0 | 0 | 108.6 | H1097 V1170 L1171 Y1415 T1426 I1427 | H1097-I1143 HydrophobicContact CB-CB 3.8Å; H1097-I1143 HydrophobicContact CB-CD1 3.85Å; H1097-I1143 HydrophobicContact CB-CG1 3.96Å; H1097-I1143 PolarHBondContact N-O 2.92Å; H1097-I1143 PolarHBondContact O-N 3.42Å; I1143-V1170 HydrophobicContact CG2-CG1 3.82Å; I1143-L1171 CarbonylContact C-O 3.58Å; I1143-L1171 VanDerWaalsContact CA-O 3.27Å; I1143-L1171 WeakPolarHBondContact CA-O 3.39Å; I1143-Y1415 HydrophobicContact CD1-CD2 3.85Å; I1143-Y1415 HydrophobicContact CD1-CE2 3.71Å; I1143-Y1415 HydrophobicContact CG1-CD2 4.37Å; I1143-Y1415 HydrophobicContact CG1-CE2 3.78Å; I1143-T1426 HydrophobicContact CD1-CG2 4.27Å; I1143-I1427 HydrophobicContact CD1-CG1 3.73Å |
| 1144 | A | 94.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1094 L1096 V1170 L1171 L1212 I1216 | L1094-A1144 HydrophobicContact CD1-CB 4.14Å; L1096-A1144 HydrophobicContact CD2-CB 3.54Å; A1144-V1170 WeakPolarHBondContact O-CA 3.34Å; A1144-L1171 HydrophobicContact CB-CB 4.33Å; A1144-L1171 HydrophobicContact CB-CD1 4.17Å; A1144-L1171 PolarHBondContact N-O 3.05Å; A1144-L1171 PolarHBondContact O-N 3.26Å; A1144-L1212 HydrophobicContact CB-CD2 4.14Å; A1144-I1216 HydrophobicContact CB-CD1 3.89Å |
| 1145 | C | 94.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 100.7 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 109.2 | E1095 W1430 S1434 | E1095-C1145 PolarHBondContact N-O 3.21Å; E1095-C1145 VanDerWaalsContact N-O 3.11Å; E1095-C1145 PolarHBondContact O-N 2.93Å; C1145-W1430 HydrophobicContact CB-CB 4.48Å; C1145-S1434 PolarHBondContact O-OG 3.34Å; C1145-S1434 VanDerWaalsContact O-OG 3.07Å |
| 1146 | L | 94.3 | Very high | 77.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.9 | -175.8 | -177.7 | 63 | 0 | 0 | 0 | 109.4 | A1092 S1093 L1094 F1148 F1169 L1171 I1216 L1219 W1238 | A1092-L1146 HydrophobicContact CB-CD1 4.25Å; S1093-L1146 WeakPolarHBondContact O-CA 3.41Å; L1094-L1146 HydrophobicContact CB-CD1 4.2Å; L1094-L1146 HydrophobicContact CD1-CB 4.27Å; L1094-L1146 HydrophobicContact CD1-CD1 4.27Å; L1146-F1148 HydrophobicContact CD1-CZ 4.4Å; L1146-F1148 HydrophobicContact CD2-CE2 3.76Å; L1146-F1148 HydrophobicContact CD2-CZ 3.63Å; L1146-F1148 HydrophobicContact CG-CD2 4.5Å; L1146-F1148 HydrophobicContact CG-CE2 3.76Å; L1146-F1148 HydrophobicContact CG-CZ 3.88Å; L1146-F1169 PolarHBondContact N-O 3.12Å; L1146-F1169 PolarHBondContact O-N 3.33Å; L1146-L1171 HydrophobicContact CB-CD1 4.45Å; L1146-I1216 HydrophobicContact CD2-CG2 4.45Å; L1146-L1219 HydrophobicContact CD2-CB 4.05Å; L1146-L1219 HydrophobicContact CD2-CD1 4.18Å; L1146-W1238 HydrophobicContact CD1-CH2 3.86Å; L1146-W1238 HydrophobicContact CD1-CZ2 3.87Å |
| 1147 | S | 93.3 | Very high | 74.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.1 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | A1092 S1093 D1167 S1434 L1438 | A1092-S1147 CarbonylContact C-O 3.6Å; A1092-S1147 WeakPolarHBondContact CA-O 3.48Å; S1093-S1147 PolarHBondContact N-O 3.24Å; S1093-S1147 PolarHBondContact O-N 2.95Å; S1147-D1167 CarbonylContact C-O 3.59Å; S1147-D1167 VanDerWaalsContact CA-O 3.27Å; S1147-D1167 WeakPolarHBondContact CA-O 3.45Å; S1147-S1434 PolarHBondContact OG-O 2.98Å; S1147-S1434 PolarHBondContact OG-OG 3.22Å; S1147-L1438 WeakPolarHBondContact OG-CD1 3.26Å |
| 1148 | F | 91 | Very high | 72 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.4 | -179.2 | -64.2 | -87.7 | 0 | 0 | 0 | 110.7 | V1091 A1092 L1146 I1166 D1167 F1169 L1219 F1223 P1225 | V1091-F1148 CarbonylContact O-C 3.57Å; V1091-F1148 VanDerWaalsContact O-CA 3.26Å; V1091-F1148 WeakPolarHBondContact O-CA 3.49Å; A1092-F1148 HydrophobicContact CB-CD1 3.66Å; A1092-F1148 HydrophobicContact CB-CE1 3.64Å; L1146-F1148 HydrophobicContact CD1-CZ 4.4Å; L1146-F1148 HydrophobicContact CD2-CE2 3.76Å; L1146-F1148 HydrophobicContact CD2-CZ 3.63Å; L1146-F1148 HydrophobicContact CG-CD2 4.5Å; L1146-F1148 HydrophobicContact CG-CE2 3.76Å; L1146-F1148 HydrophobicContact CG-CZ 3.88Å; F1148-I1166 WeakPolarHBondContact O-CA 3.42Å; F1148-D1167 HydrophobicContact CB-CB 4.41Å; F1148-D1167 PolarHBondContact N-O 3.02Å; F1148-D1167 PolarHBondContact O-N 3.11Å; F1148-F1169 AromaticContact CD2-CD2 3.99Å; F1148-F1169 HydrophobicContact CD2-CD2 3.99Å; F1148-F1169 HydrophobicContact CD2-CE2 4.1Å; F1148-F1169 AromaticContact CE2-CD2 3.91Å; F1148-F1169 HydrophobicContact CE2-CD2 3.91Å; F1148-F1169 HydrophobicContact CE2-CE2 4.16Å; F1148-L1219 HydrophobicContact CE2-CB 4.31Å; F1148-L1219 HydrophobicContact CZ-CB 4.1Å; F1148-F1223 HydrophobicContact CB-CD1 4.03Å; F1148-F1223 HydrophobicContact CD1-CB 3.61Å; F1148-F1223 HydrophobicContact CD1-CD1 4.21Å; F1148-F1223 HydrophobicContact CD1-CG 4.02Å; F1148-F1223 HydrophobicContact CD2-CB 4.45Å; F1148-F1223 AromaticContact CD2-CD1 3.99Å; F1148-F1223 HydrophobicContact CD2-CD1 3.99Å; F1148-F1223 HydrophobicContact CD2-CD2 4.33Å; F1148-F1223 HydrophobicContact CD2-CE1 4.34Å; F1148-F1223 HydrophobicContact CD2-CG 4Å; F1148-F1223 HydrophobicContact CE1-CB 3.49Å; F1148-F1223 VanDerWaalsContact CE1-CB 3.49Å; F1148-F1223 HydrophobicContact CE1-CG 4.06Å; F1148-F1223 HydrophobicContact CE2-CB 4.35Å; F1148-F1223 HydrophobicContact CE2-CD1 4.47Å; F1148-F1223 HydrophobicContact CE2-CD2 4.03Å; F1148-F1223 HydrophobicContact CE2-CG 4.03Å; F1148-F1223 HydrophobicContact CG-CB 4.1Å; F1148-F1223 AromaticContact CG-CD1 3.83Å; F1148-F1223 HydrophobicContact CG-CD1 3.83Å; F1148-F1223 HydrophobicContact CG-CE1 4.49Å; F1148-F1223 AromaticContact CG-CG 3.99Å; F1148-F1223 HydrophobicContact CG-CG 3.99Å; F1148-F1223 HydrophobicContact CZ-CB 3.88Å; F1148-F1223 HydrophobicContact CZ-CD2 4.18Å; F1148-F1223 HydrophobicContact CZ-CG 4.05Å; F1148-P1225 HydrophobicContact CE1-CG 4.17Å |
| 1149 | L | 87.5 | Confident | 69.7 | Low | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.9 | 170 | -166.6 | 70.8 | 0 | 0 | 0 | 109.2 | V1091 Y1164 I1166 L1438 L1441 | V1091-L1149 HydrophobicContact CB-CB 4.03Å; V1091-L1149 HydrophobicContact CG2-CB 4.41Å; V1091-L1149 HydrophobicContact CG2-CD2 4.28Å; V1091-L1149 PolarHBondContact N-O 3.29Å; V1091-L1149 PolarHBondContact O-N 3.32Å; L1149-Y1164 HydrophobicContact CD1-CG 4.24Å; L1149-Y1164 HydrophobicContact CD2-CD1 4.33Å; L1149-Y1164 HydrophobicContact CD2-CG 4.46Å; L1149-Y1164 HydrophobicContact CG-CD1 4.11Å; L1149-Y1164 HydrophobicContact CG-CG 4.25Å; L1149-I1166 HydrophobicContact CD1-CD1 4.2Å; L1149-I1166 HydrophobicContact CD1-CG1 3.66Å; L1149-L1438 HydrophobicContact CB-CD1 4.24Å; L1149-L1438 HydrophobicContact CB-CD2 4.19Å; L1149-L1441 HydrophobicContact CD2-CD2 4.38Å |
| 1150 | R | 76.3 | Confident | 67.4 | Low | 62 Ų | 62 | 51.5 Ų | 51.5 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.9 | 178.6 | -60.6 | -168.2 | -71.4 | 159.7 | -0 | 111.4 | T1090 Y1164 H1165 D1167 | T1090-R1150 HydrophobicContact CG2-CB 4.48Å; T1090-R1150 HydrophobicContact CG2-CG 4.09Å; R1150-Y1164 CarbonylContact O-C 3.57Å; R1150-Y1164 WeakPolarHBondContact O-CA 3.43Å; R1150-H1165 PolarHBondContact N-O 3.07Å; R1150-H1165 PolarHBondContact O-N 3.36Å; R1150-D1167 IonicContact CZ-OD2 3.5Å; R1150-D1167 IonicContact NE-OD2 2.73Å; R1150-D1167 PolarHBondContact NE-OD2 3.34Å; R1150-D1167 IonicContact NH2-OD1 3.19Å; R1150-D1167 PolarHBondContact NH2-OD1 3.46Å; R1150-D1167 VanDerWaalsContact NH2-OD1 3.1Å; R1150-D1167 IonicContact NH2-OD2 2.82Å; R1150-D1167 PolarHBondContact NH2-OD2 3.43Å |
| 1151 | P | 66.8 | Low | 65.1 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 141.3 | 172.1 | 23.6 | -27.5 | 0 | 0 | 0 | 111 | Y1088 Y1164 | Y1088-P1151 HydrophobicContact CD1-CG 4.24Å; P1151-Y1164 HydrophobicContact CB-CD1 4.2Å; P1151-Y1164 HydrophobicContact CB-CE1 4.16Å |
| 1152 | Q | 59.3 | Low | 63.1 | Low | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | trans | -74.4 | 148.4 | 179.6 | -120.7 | 173.4 | 4.2 | 0 | 0 | 111.3 | Y1155 A1163 | Q1152-Y1155 HydrophobicContact CB-CD2 3.97Å; Q1152-Y1155 HydrophobicContact CB-CE2 3.55Å; Q1152-Y1155 PolarHBondContact OE1-OH 3.37Å; Q1152-A1163 PolarHBondContact N-O 3.42Å | ||
| 1153 | Q | 46.6 | Very low | 61.4 | Low | 132 Ų | 132 | 62.7 Ų | 62.7 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -83.5 | -13.6 | -166.8 | -68.4 | -169.6 | -22.4 | 0 | 0 | 115.8 | ||
| 1154 | S | 38.5 | Very low | 60.2 | Low | 102 Ų | 102 | 66.9 Ų | 66.9 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | trans | -132.2 | 97.3 | -170.2 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1155 | Y | 35.3 | Very low | 59.4 | Low | 83 Ų | 83 | 70.9 Ų | 70.9 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | trans | -137.1 | 126.9 | -178.1 | -99.4 | -66.7 | 0 | 0 | 0 | 113.1 | Q1152 S1159 N1162 A1163 | Q1152-Y1155 HydrophobicContact CB-CD2 3.97Å; Q1152-Y1155 HydrophobicContact CB-CE2 3.55Å; Q1152-Y1155 PolarHBondContact OE1-OH 3.37Å; Y1155-S1159 WeakPolarHBondContact CD1-OG 3.45Å; Y1155-S1159 VanDerWaalsContact CE1-O 3.23Å; Y1155-S1159 WeakPolarHBondContact CE1-O 3.35Å; Y1155-S1159 VanDerWaalsContact CE1-OG 3.24Å; Y1155-S1159 WeakPolarHBondContact CE1-OG 3.27Å; Y1155-N1162 WeakPolarHBondContact OH-CB 3.31Å; Y1155-N1162 PolarHBondContact OH-O 2.88Å; Y1155-A1163 HydrophobicContact CE2-CB 4.42Å; Y1155-A1163 PolarHBondContact OH-N 3.34Å | ||
| 1156 | T | 32.8 | Very low | 58.9 | Low | 97 Ų | 97 | 72.4 Ų | 72.4 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | trans | -85.1 | 160.9 | 153.7 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | E1158 | T1156-E1158 PolarHBondContact O-N 3.08Å; T1156-E1158 VanDerWaalsContact O-N 3.08Å | ||
| 1157 | M | 33.2 | Very low | 58.5 | Low | 121 Ų | 121 | 72.9 Ų | 72.9 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -63.3 | -17.8 | -170.8 | -78.6 | -170.8 | 64.4 | 0 | 0 | 115.6 | V1084 | V1084-M1157 HydrophobicContact CG2-CE 4.4Š|
| 1158 | E | 32.6 | Very low | 58.4 | Low | 184 Ų | 184 | 73.1 Ų | 73.1 | 86% | 0.86 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -86.8 | -9.2 | -163.1 | -63 | 169.2 | 150.3 | 0 | 0 | 114.7 | T1156 | T1156-E1158 PolarHBondContact O-N 3.08Å; T1156-E1158 VanDerWaalsContact O-N 3.08Å |
| 1159 | S | 36.5 | Very low | 58.4 | Low | 57 Ų | 57 | 73.1 Ų | 73.1 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -122.4 | 27.3 | -165.9 | 47.4 | 0 | 0 | 0 | 0 | 115.3 | Y1155 D1161 N1162 | Y1155-S1159 WeakPolarHBondContact CD1-OG 3.45Å; Y1155-S1159 VanDerWaalsContact CE1-O 3.23Å; Y1155-S1159 WeakPolarHBondContact CE1-O 3.35Å; Y1155-S1159 VanDerWaalsContact CE1-OG 3.24Å; Y1155-S1159 WeakPolarHBondContact CE1-OG 3.27Å; S1159-D1161 PolarHBondContact O-N 3Å; S1159-N1162 PolarHBondContact O-N 3.44Å |
| 1160 | M | 40.8 | Very low | 58.5 | Low | 70 Ų | 70 | 72.6 Ų | 72.6 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -61.1 | -16.7 | -172.3 | -70.6 | -165.6 | 69.5 | 0 | 0 | 116.7 | V1084 N1162 A1163 C1625 | V1084-M1160 HydrophobicContact CG1-CE 4.09Å; V1084-M1160 HydrophobicContact CG1-SD 4.43Å; V1084-M1160 HydrophobicContact CG2-SD 4.4Å; M1160-N1162 PolarHBondContact O-N 2.85Å; M1160-A1163 VanDerWaalsContact O-CB 3.27Å; M1160-A1163 WeakPolarHBondContact O-CB 3.46Å; M1160-A1163 PolarHBondContact O-N 3.25Å; M1160-A1163 VanDerWaalsContact O-N 3.09Å; M1160-C1625 VanDerWaalsContact CE-SG 3.52Å; M1160-C1625 HydrophobicContact SD-CB 4.15Å |
| 1161 | D | 40.1 | Very low | 59.2 | Low | 133 Ų | 133 | 69.6 Ų | 69.6 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -63.6 | -11.1 | 179.1 | -87.9 | -18.2 | 0 | 0 | 0 | 114.4 | S1159 | S1159-D1161 PolarHBondContact O-N 3Š|
| 1162 | N | 48.3 | Very low | 60.2 | Low | 125 Ų | 125 | 68.3 Ų | 68.3 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -115.6 | 13.8 | 174 | -75.8 | -56.4 | 0 | 0 | 0 | 114.5 | Y1155 S1159 M1160 Y1164 | Y1155-N1162 WeakPolarHBondContact OH-CB 3.31Å; Y1155-N1162 PolarHBondContact OH-O 2.88Å; S1159-N1162 PolarHBondContact O-N 3.44Å; M1160-N1162 PolarHBondContact O-N 2.85Å; N1162-Y1164 PolarHBondContact O-N 3.35Å |
| 1163 | A | 56.7 | Low | 61.5 | Low | 18 Ų | 18 | 64.7 Ų | 64.7 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -53.1 | -14.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q1152 Y1155 M1160 | Q1152-A1163 PolarHBondContact N-O 3.42Å; Y1155-A1163 HydrophobicContact CE2-CB 4.42Å; Y1155-A1163 PolarHBondContact OH-N 3.34Å; M1160-A1163 VanDerWaalsContact O-CB 3.27Å; M1160-A1163 WeakPolarHBondContact O-CB 3.46Å; M1160-A1163 PolarHBondContact O-N 3.25Å; M1160-A1163 VanDerWaalsContact O-N 3.09Å | ||
| 1164 | Y | 65.8 | Low | 62.6 | Low | 89 Ų | 89 | 59.5 Ų | 59.5 | 35% | 0.349 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.4 | -173.9 | -59.8 | -85.4 | 0 | 0 | 0 | 113.4 | L1149 R1150 P1151 N1162 | L1149-Y1164 HydrophobicContact CD1-CG 4.24Å; L1149-Y1164 HydrophobicContact CD2-CD1 4.33Å; L1149-Y1164 HydrophobicContact CD2-CG 4.46Å; L1149-Y1164 HydrophobicContact CG-CD1 4.11Å; L1149-Y1164 HydrophobicContact CG-CG 4.25Å; R1150-Y1164 CarbonylContact O-C 3.57Å; R1150-Y1164 WeakPolarHBondContact O-CA 3.43Å; P1151-Y1164 HydrophobicContact CB-CD1 4.2Å; P1151-Y1164 HydrophobicContact CB-CE1 4.16Å; N1162-Y1164 PolarHBondContact O-N 3.35Å |
| 1165 | H | 77.5 | Confident | 63.7 | Low | 83 Ų | 83 | 60.4 Ų | 60.4 | 38% | 0.384 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 146.2 | 168.1 | -170.7 | -97.2 | 0 | 0 | 0 | 111 | R1150 D1167 | R1150-H1165 PolarHBondContact N-O 3.07Å; R1150-H1165 PolarHBondContact O-N 3.36Å; H1165-D1167 IonicContact CE1-OD1 3.99Å; H1165-D1167 PolarHBondContact CE1-OD1 2.76Å; H1165-D1167 IonicContact CE1-OD2 3.75Å; H1165-D1167 IonicContact ND1-OD1 2.86Å; H1165-D1167 IonicContact ND1-OD2 2.74Å; H1165-D1167 PolarHBondContact ND1-OD2 3.01Å |
| 1166 | I | 83.7 | Confident | 64.6 | Low | 32 Ų | 32 | 59.3 Ų | 59.3 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113.6 | 172.3 | -61.9 | 176.5 | 0 | 0 | 0 | 109.5 | F1148 L1149 I1199 L1438 | F1148-I1166 WeakPolarHBondContact O-CA 3.42Å; L1149-I1166 HydrophobicContact CD1-CD1 4.2Å; L1149-I1166 HydrophobicContact CD1-CG1 3.66Å; I1166-I1199 HydrophobicContact CB-CD1 3.98Å; I1166-I1199 HydrophobicContact CD1-CD1 4.15Å; I1166-I1199 HydrophobicContact CG2-CD1 4.11Å; I1166-L1438 HydrophobicContact CD1-CB 4.45Å; I1166-L1438 HydrophobicContact CD1-CD1 4.31Å; I1166-L1438 HydrophobicContact CG1-CD1 4.35Å; I1166-L1438 HydrophobicContact CG2-CD1 4.09Å |
| 1167 | D | 86.6 | Confident | 65.7 | Low | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.8 | 170.1 | -63.5 | -95.8 | 0 | 0 | 0 | 109.5 | S1147 F1148 R1150 H1165 F1169 F1223 | S1147-D1167 CarbonylContact C-O 3.59Å; S1147-D1167 VanDerWaalsContact CA-O 3.27Å; S1147-D1167 WeakPolarHBondContact CA-O 3.45Å; F1148-D1167 HydrophobicContact CB-CB 4.41Å; F1148-D1167 PolarHBondContact N-O 3.02Å; F1148-D1167 PolarHBondContact O-N 3.11Å; R1150-D1167 IonicContact CZ-OD2 3.5Å; R1150-D1167 IonicContact NE-OD2 2.73Å; R1150-D1167 PolarHBondContact NE-OD2 3.34Å; R1150-D1167 IonicContact NH2-OD1 3.19Å; R1150-D1167 PolarHBondContact NH2-OD1 3.46Å; R1150-D1167 VanDerWaalsContact NH2-OD1 3.1Å; R1150-D1167 IonicContact NH2-OD2 2.82Å; R1150-D1167 PolarHBondContact NH2-OD2 3.43Å; H1165-D1167 IonicContact CE1-OD1 3.99Å; H1165-D1167 PolarHBondContact CE1-OD1 2.76Å; H1165-D1167 IonicContact CE1-OD2 3.75Å; H1165-D1167 IonicContact ND1-OD1 2.86Å; H1165-D1167 IonicContact ND1-OD2 2.74Å; H1165-D1167 PolarHBondContact ND1-OD2 3.01Å; D1167-F1169 HydrophobicContact CB-CE2 4.31Å; D1167-F1223 HydrophobicContact CB-CE1 4.01Å; D1167-F1223 HydrophobicContact CB-CZ 4.48Å |
| 1168 | L | 89.4 | Confident | 66.3 | Low | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.5 | -176.5 | 172 | 63.2 | 0 | 0 | 0 | 111.8 | V1170 I1199 P1201 R1202 I1431 I1435 | L1168-V1170 HydrophobicContact CD1-CG2 4.37Å; L1168-V1170 HydrophobicContact CG-CG2 4.36Å; L1168-I1199 HydrophobicContact CB-CG2 4.01Å; L1168-I1199 HydrophobicContact CD2-CG2 4.31Å; L1168-P1201 HydrophobicContact CD2-CB 3.76Å; L1168-P1201 HydrophobicContact CG-CB 4.1Å; L1168-R1202 PolarHBondContact O-N 3.48Å; L1168-I1431 HydrophobicContact CD2-CG1 4.33Å; L1168-I1431 HydrophobicContact CD2-CG2 3.65Å; L1168-I1435 HydrophobicContact CD2-CD1 4.19Å |
| 1169 | F | 91.5 | Very high | 66.9 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.9 | 174 | -64.8 | -93.4 | 0 | 0 | 0 | 110.8 | L1146 F1148 D1167 L1171 R1202 I1204 L1219 F1223 | L1146-F1169 PolarHBondContact N-O 3.12Å; L1146-F1169 PolarHBondContact O-N 3.33Å; F1148-F1169 AromaticContact CD2-CD2 3.99Å; F1148-F1169 HydrophobicContact CD2-CD2 3.99Å; F1148-F1169 HydrophobicContact CD2-CE2 4.1Å; F1148-F1169 AromaticContact CE2-CD2 3.91Å; F1148-F1169 HydrophobicContact CE2-CD2 3.91Å; F1148-F1169 HydrophobicContact CE2-CE2 4.16Å; D1167-F1169 HydrophobicContact CB-CE2 4.31Å; F1169-L1171 HydrophobicContact CB-CD1 4.4Å; F1169-R1202 CarbonylContact C-O 3.58Å; F1169-R1202 WeakPolarHBondContact CA-O 3.32Å; F1169-R1202 HydrophobicContact CD1-CB 3.87Å; F1169-R1202 HydrophobicContact CE1-CB 4.07Å; F1169-R1202 HydrophobicContact CE1-CG 4.43Å; F1169-I1204 HydrophobicContact CD1-CD1 3.91Å; F1169-L1219 HydrophobicContact CB-CD1 4.04Å; F1169-L1219 HydrophobicContact CD1-CD1 4.09Å; F1169-L1219 HydrophobicContact CD1-CD2 3.99Å; F1169-L1219 HydrophobicContact CD2-CD2 4.42Å; F1169-L1219 HydrophobicContact CE1-CD2 3.8Å; F1169-L1219 HydrophobicContact CE2-CD2 4.28Å; F1169-L1219 HydrophobicContact CG-CD1 3.97Å; F1169-L1219 HydrophobicContact CG-CD2 4.29Å; F1169-L1219 HydrophobicContact CZ-CD2 3.96Å; F1169-F1223 HydrophobicContact CE2-CE1 4.27Å; F1169-F1223 AromaticContact CE2-CE2 3.61Å; F1169-F1223 HydrophobicContact CE2-CE2 3.61Å; F1169-F1223 AromaticContact CE2-CZ 3.47Å; F1169-F1223 HydrophobicContact CE2-CZ 3.47Å; F1169-F1223 VanDerWaalsContact CE2-CZ 3.47Å; F1169-F1223 AromaticContact CZ-CE2 3.63Å; F1169-F1223 HydrophobicContact CZ-CE2 3.63Å; F1169-F1223 AromaticContact CZ-CZ 3.6Å; F1169-F1223 HydrophobicContact CZ-CZ 3.6Å |
| 1170 | V | 89.8 | Confident | 67.5 | Low | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 103.5 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I1143 A1144 L1168 I1172 P1201 R1202 I1203 I1204 I1427 I1431 | I1143-V1170 HydrophobicContact CG2-CG1 3.82Å; A1144-V1170 WeakPolarHBondContact O-CA 3.34Å; L1168-V1170 HydrophobicContact CD1-CG2 4.37Å; L1168-V1170 HydrophobicContact CG-CG2 4.36Å; V1170-I1172 HydrophobicContact CG1-CD1 4.47Å; V1170-I1172 HydrophobicContact CG1-CG1 4.19Å; V1170-P1201 HydrophobicContact CG2-CB 4.09Å; V1170-R1202 PolarHBondContact N-O 3.12Å; V1170-I1203 HydrophobicContact CB-CG1 4.41Å; V1170-I1203 CarbonylContact O-C 2.81Å; V1170-I1203 WeakPolarHBondContact O-CA 3.35Å; V1170-I1204 PolarHBondContact O-N 3.17Å; V1170-I1427 HydrophobicContact CG1-CG2 4.2Å; V1170-I1431 HydrophobicContact CG2-CD1 3.91Å; V1170-I1431 HydrophobicContact CG2-CG1 3.84Å |
| 1171 | L | 91 | Very high | 67.6 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.9 | -179.6 | -54.7 | 90.7 | 0 | 0 | 0 | 109.2 | I1143 A1144 L1146 F1169 I1204 L1212 W1215 I1216 L1219 | I1143-L1171 CarbonylContact C-O 3.58Å; I1143-L1171 VanDerWaalsContact CA-O 3.27Å; I1143-L1171 WeakPolarHBondContact CA-O 3.39Å; A1144-L1171 HydrophobicContact CB-CB 4.33Å; A1144-L1171 HydrophobicContact CB-CD1 4.17Å; A1144-L1171 PolarHBondContact N-O 3.05Å; A1144-L1171 PolarHBondContact O-N 3.26Å; L1146-L1171 HydrophobicContact CB-CD1 4.45Å; F1169-L1171 HydrophobicContact CB-CD1 4.4Å; L1171-I1204 CarbonylContact C-O 3.58Å; L1171-I1204 WeakPolarHBondContact CA-O 3.29Å; L1171-I1204 HydrophobicContact CG-CB 4.39Å; L1171-L1212 HydrophobicContact CB-CD1 4.06Å; L1171-L1212 HydrophobicContact CB-CG 3.95Å; L1171-L1212 HydrophobicContact CD2-CG 4.49Å; L1171-W1215 HydrophobicContact CD2-CB 3.39Å; L1171-W1215 HydrophobicContact CD2-CG 4.32Å; L1171-I1216 HydrophobicContact CD1-CG1 4.39Å; L1171-I1216 HydrophobicContact CD2-CG1 4.14Å; L1171-L1219 HydrophobicContact CD1-CD1 4.26Å; L1171-L1219 HydrophobicContact CD2-CD1 4.36Å |
| 1172 | I | 88.3 | Confident | 67.7 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.4 | -175.8 | -57.2 | -178.4 | 0 | 0 | 0 | 109.4 | V1170 L1177 I1203 I1204 W1205 C1206 Y1415 I1427 | V1170-I1172 HydrophobicContact CG1-CD1 4.47Å; V1170-I1172 HydrophobicContact CG1-CG1 4.19Å; I1172-L1177 HydrophobicContact CG2-CD1 3.62Å; I1172-I1203 HydrophobicContact CD1-CG2 3.69Å; I1172-I1203 HydrophobicContact CG1-CG2 4.22Å; I1172-I1204 PolarHBondContact N-O 3.18Å; I1172-W1205 HydrophobicContact CB-CE3 4.39Å; I1172-W1205 HydrophobicContact CD1-CZ2 4.46Å; I1172-W1205 HydrophobicContact CG2-CE3 4.2Å; I1172-W1205 HydrophobicContact CG2-CZ3 4.02Å; I1172-C1206 PolarHBondContact O-N 3.04Å; I1172-Y1415 WeakPolarHBondContact CG2-OH 3.27Å; I1172-I1427 HydrophobicContact CD1-CD1 4.22Å |
| 1173 | H | 85.5 | Confident | 67.5 | Low | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124 | 173.8 | -174.9 | -168.8 | 0 | 0 | 0 | 109.9 | I1141 Q1142 E1175 S1176 C1206 T1208 E1209 L1212 | I1141-H1173 PolarHBondContact O-ND1 3.37Å; Q1142-H1173 PolarHBondContact O-N 3.38Å; H1173-E1175 IonicContact NE2-OE2 3.82Å; H1173-S1176 PolarHBondContact O-OG 3.43Å; H1173-C1206 CarbonylContact C-O 3.55Å; H1173-C1206 WeakPolarHBondContact CA-O 3.5Å; H1173-T1208 VanDerWaalsContact CD2-C 3.48Å; H1173-T1208 WeakPolarHBondContact NE2-CA 3.4Å; H1173-E1209 PolarHBondContact CD2-N 3.48Å; H1173-E1209 PolarHBondContact NE2-N 3.27Å; H1173-E1209 VanDerWaalsContact NE2-N 3.1Å; H1173-L1212 HydrophobicContact CB-CD1 4.25Å |
| 1174 | S | 70.9 | Confident | 67 | Low | 23 Ų | 23 | 52.4 Ų | 52.4 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -93.4 | -19.5 | -168.9 | 76.4 | 0 | 0 | 0 | 0 | 115.7 | S1176 L1177 N1178 C1206 S1207 | S1174-S1176 PolarHBondContact O-N 3.07Å; S1174-L1177 CarbonylContact O-C 3.52Å; S1174-L1177 WeakPolarHBondContact O-CA 3.44Å; S1174-L1177 PolarHBondContact O-N 3.17Å; S1174-N1178 PolarHBondContact O-N 3.48Å; S1174-N1178 PolarHBondContact O-OD1 3.48Å; S1174-C1206 PolarHBondContact N-O 3.13Å; S1174-C1206 PolarHBondContact OG-O 2.94Å; S1174-S1207 WeakPolarHBondContact OG-CA 3.41Å |
| 1175 | E | 61.9 | Low | 65.9 | Low | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -58.7 | -34.7 | 177.7 | -95.5 | -174.9 | 167.6 | 0 | 0 | 112.8 | H1173 L1177 | H1173-E1175 IonicContact NE2-OE2 3.82Å; E1175-L1177 PolarHBondContact O-N 3.4Å |
| 1176 | S | 53.8 | Low | 64.1 | Low | 60 Ų | 60 | 53.5 Ų | 53.5 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -71 | -6 | 173.9 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | Q1142 H1173 S1174 | Q1142-S1176 PolarHBondContact OE1-OG 3.05Å; H1173-S1176 PolarHBondContact O-OG 3.43Å; S1174-S1176 PolarHBondContact O-N 3.07Å |
| 1177 | L | 56.4 | Low | 61.9 | Low | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -120 | 6.2 | -174.9 | -66 | 174.3 | 0 | 0 | 0 | 113.8 | I1172 S1174 E1175 N1179 Y1180 W1205 R1423 | I1172-L1177 HydrophobicContact CG2-CD1 3.62Å; S1174-L1177 CarbonylContact O-C 3.52Å; S1174-L1177 WeakPolarHBondContact O-CA 3.44Å; S1174-L1177 PolarHBondContact O-N 3.17Å; E1175-L1177 PolarHBondContact O-N 3.4Å; L1177-N1179 PolarHBondContact O-N 3.26Å; L1177-Y1180 PolarHBondContact O-N 3.41Å; L1177-W1205 HydrophobicContact CD1-CH2 4.19Å; L1177-W1205 HydrophobicContact CD1-CZ3 3.61Å; L1177-R1423 VanDerWaalsContact CD2-CZ 3.48Å |
| 1178 | N | 46.3 | Very low | 59.6 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 23.7 | -175.8 | -86.2 | -12.9 | 0 | 0 | 0 | 117.1 | S1174 | S1174-N1178 PolarHBondContact O-N 3.48Å; S1174-N1178 PolarHBondContact O-OD1 3.48Å |
| 1179 | N | 44.1 | Very low | 57.4 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | -9.9 | 167 | -79.4 | -72.2 | 0 | 0 | 0 | 114.1 | L1177 | L1177-N1179 PolarHBondContact O-N 3.26Š|
| 1180 | Y | 48.2 | Very low | 54.6 | Low | 103 Ų | 103 | 68.1 Ų | 68.1 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | trans | -142.6 | 52.2 | -162.4 | -57.3 | -64.5 | 0 | 0 | 0 | 115.1 | L1177 M1418 R1423 | L1177-Y1180 PolarHBondContact O-N 3.41Å; Y1180-M1418 HydrophobicContact CD2-CG 4.45Å; Y1180-M1418 HydrophobicContact CE1-CG 4.34Å; Y1180-M1418 HydrophobicContact CE1-SD 4.04Å; Y1180-M1418 HydrophobicContact CE2-CE 4.1Å; Y1180-M1418 HydrophobicContact CE2-CG 4.05Å; Y1180-M1418 HydrophobicContact CE2-SD 4.33Å; Y1180-M1418 WeakPolarHBondContact OH-CE 3.45Å; Y1180-R1423 PolarHBondContact O-NH1 2.94Å | ||
| 1181 | T | 43.3 | Very low | 51.9 | Low | 83 Ų | 83 | 74.6 Ų | 74.6 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -69.3 | -34.8 | 178.5 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | G1183 | T1181-G1183 PolarHBondContact O-N 2.84Š|
| 1182 | H | 42.6 | Very low | 49.1 | Very low | 171 Ų | 171 | 84 Ų | 84 | 79% | 0.792 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -65.5 | -0.9 | -176.3 | -74.9 | -71.9 | 0 | 0 | 0 | 116.2 | ||
| 1183 | G | 44.3 | Very low | 46.5 | Very low | 24 Ų | 24 | 92.2 Ų | 92.2 | 25% | 0.247 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -88.1 | -16.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117 | T1181 | T1181-G1183 PolarHBondContact O-N 2.84Š|
| 1184 | L | 46.3 | Very low | 44.2 | Very low | 27 Ų | 27 | 97.4 Ų | 97.4 | 14% | 0.141 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -106.8 | -26.4 | -167.7 | -85.6 | 158.8 | 0 | 0 | 0 | 115.1 | N1186 W1205 W1424 I1427 | L1184-N1186 VanDerWaalsContact C-N 3.26Å; L1184-N1186 PolarHBondContact O-N 2.95Å; L1184-W1205 HydrophobicContact CD1-CH2 3.69Å; L1184-W1205 HydrophobicContact CD1-CZ2 4.12Å; L1184-W1424 HydrophobicContact CD2-CE3 3.89Å; L1184-I1427 HydrophobicContact CD1-CD1 4.45Å; L1184-I1427 HydrophobicContact CD2-CD1 3.86Å |
| 1185 | T | 42.3 | Very low | 42.8 | Very low | 60 Ų | 60 | 105.9 Ų | 105.9 | 37% | 0.368 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.3 | -179 | 52.6 | 0 | 0 | 0 | 0 | 114 | H1308 | T1185-H1308 VanDerWaalsContact CG2-NE2 3.34Å; T1185-H1308 WeakPolarHBondContact CG2-NE2 3.47Å |
| 1186 | N | 39.2 | Very low | 42.1 | Very low | 134 Ų | 134 | 103.5 Ų | 103.5 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 6.1 | -168.2 | -64.8 | 10.7 | 0 | 0 | 0 | 113.9 | L1184 | L1184-N1186 VanDerWaalsContact C-N 3.26Å; L1184-N1186 PolarHBondContact O-N 2.95Å |
| 1187 | F | 38.9 | Very low | 41.6 | Very low | 121 Ų | 121 | 104.8 Ų | 104.8 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -118.5 | 29.7 | 178.8 | -84.8 | -78.2 | 0 | 0 | 0 | 113.4 | A1421 | F1187-A1421 HydrophobicContact CZ-CB 4.46Š|
| 1188 | G | 37 | Very low | 41.6 | Very low | 51 Ų | 51 | 112.7 Ų | 112.7 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -92.7 | 139.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1190 | G1188-G1190 PolarHBondContact O-N 2.86Š|
| 1189 | Y | 43.2 | Very low | 42.5 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 53 | -1 | 159.3 | -81.1 | -93.6 | 0 | 0 | 0 | 121 | N1191 H1197 I1199 P1201 | Y1189-N1191 VanDerWaalsContact C-N 3.3Å; Y1189-N1191 PolarHBondContact O-N 2.86Å; Y1189-H1197 AromaticContact CD1-CE1 3.95Å; Y1189-H1197 AromaticContact CD1-ND1 3.77Å; Y1189-H1197 AromaticContact CE1-ND1 3.7Å; Y1189-I1199 PolarHBondContact OH-O 2.83Å; Y1189-P1201 WeakPolarHBondContact OH-CD 3.29Å |
| 1190 | G | 32.4 | Very low | 43.8 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | trans | -75.7 | 43.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | G1188 | G1188-G1190 PolarHBondContact O-N 2.86Š| ||
| 1191 | N | 33.6 | Very low | 45.3 | Very low | 137 Ų | 137 | 103.1 Ų | 103.1 | 73% | 0.733 | 53% | 0.53 | S | S | * | . | trans | -164.6 | 123.5 | 162.5 | -104 | -54.2 | 0 | 0 | 0 | 114.4 | Y1189 H1197 | Y1189-N1191 VanDerWaalsContact C-N 3.3Å; Y1189-N1191 PolarHBondContact O-N 2.86Å; N1191-H1197 PolarHBondContact O-CE1 3.4Å; N1191-H1197 VanDerWaalsContact O-CE1 3.28Å; N1191-H1197 PolarHBondContact O-NE2 2.77Å | ||
| 1192 | K | 31.7 | Very low | 47.2 | Very low | 197 Ų | 197 | 103.9 Ų | 103.9 | 86% | 0.857 | 52% | 0.524 | S | S | * | . | trans | -87.2 | 122.3 | 179.8 | -55.5 | 176.9 | -179.9 | -175.9 | 0 | 111.2 | ||||
| 1193 | K | 34 | Very low | 49.1 | Very low | 174 Ų | 174 | 98.8 Ų | 98.8 | 76% | 0.757 | 50% | 0.501 | S | S | * | . | trans | 176.6 | 10.7 | 147.5 | -103.5 | 175.9 | -179.6 | -173.7 | 0 | 119.2 | ||||
| 1194 | H | 37.7 | Very low | 51 | Low | 120 Ų | 120 | 98.9 Ų | 98.9 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | trans | -124.9 | 148.4 | 176.7 | -71.8 | -71.4 | 0 | 0 | 0 | 114.7 | L1196 H1197 | H1194-L1196 PolarHBondContact O-N 3.31Å; H1194-L1196 VanDerWaalsContact O-N 3.09Å; H1194-H1197 PolarHBondContact O-CD2 3.26Å; H1194-H1197 VanDerWaalsContact O-CD2 3.29Å; H1194-H1197 PolarHBondContact O-N 2.84Å | ||
| 1195 | K | 41.9 | Very low | 52.7 | Low | 201 Ų | 201 | 99.2 Ų | 99.2 | 87% | 0.874 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -61.8 | -14.4 | -173.6 | -71.1 | -172.1 | 174.8 | -175 | 0 | 115.7 | H1197 | K1195-H1197 VanDerWaalsContact C-N 3.27Å; K1195-H1197 PolarHBondContact O-N 2.96Å |
| 1196 | L | 46.3 | Very low | 54.7 | Low | 70 Ų | 70 | 96.4 Ų | 96.4 | 37% | 0.366 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -74.9 | -10 | -179.6 | -74.9 | 166.3 | 0 | 0 | 0 | 114.4 | H1194 H1198 I1199 I1435 | H1194-L1196 PolarHBondContact O-N 3.31Å; H1194-L1196 VanDerWaalsContact O-N 3.09Å; L1196-H1198 PolarHBondContact O-N 2.8Å; L1196-I1199 PolarHBondContact O-N 3.08Å; L1196-I1435 HydrophobicContact CD2-CG2 4.21Å |
| 1197 | H | 44.6 | Very low | 56.7 | Low | 88 Ų | 88 | 91.3 Ų | 91.3 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -61.7 | -9.3 | -174.4 | -88.4 | -58.1 | 0 | 0 | 0 | 116.2 | Y1189 N1191 H1194 K1195 | Y1189-H1197 AromaticContact CD1-CE1 3.95Å; Y1189-H1197 AromaticContact CD1-ND1 3.77Å; Y1189-H1197 AromaticContact CE1-ND1 3.7Å; N1191-H1197 PolarHBondContact O-CE1 3.4Å; N1191-H1197 VanDerWaalsContact O-CE1 3.28Å; N1191-H1197 PolarHBondContact O-NE2 2.77Å; H1194-H1197 PolarHBondContact O-CD2 3.26Å; H1194-H1197 VanDerWaalsContact O-CD2 3.29Å; H1194-H1197 PolarHBondContact O-N 2.84Å; K1195-H1197 VanDerWaalsContact C-N 3.27Å; K1195-H1197 PolarHBondContact O-N 2.96Å |
| 1198 | H | 55.1 | Low | 58.9 | Low | 175 Ų | 175 | 87.7 Ų | 87.7 | 81% | 0.81 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -81.6 | -17.1 | 179.1 | -61.2 | -74.7 | 0 | 0 | 0 | 114.3 | L1196 | L1196-H1198 PolarHBondContact O-N 2.8Š|
| 1199 | I | 66.1 | Low | 61.3 | Low | 36 Ų | 36 | 86 Ų | 86 | 19% | 0.185 | 42% | 0.419 | C | S | . | . | trans | -96.8 | 122.5 | 177.9 | -58.1 | 170.3 | 0 | 0 | 0 | 108.5 | I1166 L1168 Y1189 L1196 I1435 | I1166-I1199 HydrophobicContact CB-CD1 3.98Å; I1166-I1199 HydrophobicContact CD1-CD1 4.15Å; I1166-I1199 HydrophobicContact CG2-CD1 4.11Å; L1168-I1199 HydrophobicContact CB-CG2 4.01Å; L1168-I1199 HydrophobicContact CD2-CG2 4.31Å; Y1189-I1199 PolarHBondContact OH-O 2.83Å; L1196-I1199 PolarHBondContact O-N 3.08Å; I1199-I1435 HydrophobicContact CD1-CD1 4.24Å; I1199-I1435 HydrophobicContact CD1-CG2 4.35Å | ||
| 1200 | I | 72 | Confident | 63.3 | Low | 90 Ų | 90 | 84.5 Ų | 84.5 | 46% | 0.462 | 41% | 0.413 | S | S | . | . | trans | -105.6 | 117.4 | 179.4 | -58.3 | 176.1 | 0 | 0 | 0 | 109.4 | W1307 | I1200-W1307 HydrophobicContact CG2-CH2 4.36Å; I1200-W1307 HydrophobicContact CG2-CZ3 4.38Å | ||
| 1201 | P | 78.1 | Confident | 65.7 | Low | 19 Ų | 19 | 83.6 Ų | 83.6 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | trans | -72.1 | 129.9 | 179.8 | 27.5 | -32.6 | 0 | 0 | 0 | 112.1 | L1168 V1170 Y1189 I1431 | L1168-P1201 HydrophobicContact CD2-CB 3.76Å; L1168-P1201 HydrophobicContact CG-CB 4.1Å; V1170-P1201 HydrophobicContact CG2-CB 4.09Å; Y1189-P1201 WeakPolarHBondContact OH-CD 3.29Å; P1201-I1431 HydrophobicContact CB-CD1 4.4Å | ||
| 1202 | R | 83.1 | Confident | 68.4 | Low | 100 Ų | 100 | 77.1 Ų | 77.1 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.8 | 169.3 | -61.1 | -176.8 | -175.5 | -151.5 | 5.1 | 109.3 | L1168 F1169 V1170 | L1168-R1202 PolarHBondContact O-N 3.48Å; F1169-R1202 CarbonylContact C-O 3.58Å; F1169-R1202 WeakPolarHBondContact CA-O 3.32Å; F1169-R1202 HydrophobicContact CD1-CB 3.87Å; F1169-R1202 HydrophobicContact CE1-CB 4.07Å; F1169-R1202 HydrophobicContact CE1-CG 4.43Å; V1170-R1202 PolarHBondContact N-O 3.12Å |
| 1203 | I | 83.6 | Confident | 71.1 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 32% | 0.323 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.8 | -178 | -55.5 | 178 | 0 | 0 | 0 | 110.1 | V1170 I1172 | V1170-I1203 HydrophobicContact CB-CG1 4.41Å; V1170-I1203 CarbonylContact O-C 2.81Å; V1170-I1203 WeakPolarHBondContact O-CA 3.35Å; I1172-I1203 HydrophobicContact CD1-CG2 3.69Å; I1172-I1203 HydrophobicContact CG1-CG2 4.22Å |
| 1204 | I | 84.2 | Confident | 73.6 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.4 | 178.3 | -59.5 | 177.7 | 0 | 0 | 0 | 109 | F1169 V1170 L1171 I1172 W1215 L1219 | F1169-I1204 HydrophobicContact CD1-CD1 3.91Å; V1170-I1204 PolarHBondContact O-N 3.17Å; L1171-I1204 CarbonylContact C-O 3.58Å; L1171-I1204 WeakPolarHBondContact CA-O 3.29Å; L1171-I1204 HydrophobicContact CG-CB 4.39Å; I1172-I1204 PolarHBondContact N-O 3.18Å; I1204-W1215 HydrophobicContact CD1-CD2 4.45Å; I1204-W1215 HydrophobicContact CD1-CE3 4.12Å; I1204-W1215 HydrophobicContact CD1-CZ3 4.31Å; I1204-W1215 HydrophobicContact CG2-CD2 4.19Å; I1204-W1215 HydrophobicContact CG2-CG 4.29Å; I1204-L1219 HydrophobicContact CD1-CD1 4.26Å |
| 1205 | W | 82.6 | Confident | 76 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.2 | 176.9 | -65.6 | 85.8 | 0 | 0 | 0 | 109.8 | I1172 L1177 L1184 T1311 | I1172-W1205 HydrophobicContact CB-CE3 4.39Å; I1172-W1205 HydrophobicContact CD1-CZ2 4.46Å; I1172-W1205 HydrophobicContact CG2-CE3 4.2Å; I1172-W1205 HydrophobicContact CG2-CZ3 4.02Å; L1177-W1205 HydrophobicContact CD1-CH2 4.19Å; L1177-W1205 HydrophobicContact CD1-CZ3 3.61Å; L1184-W1205 HydrophobicContact CD1-CH2 3.69Å; L1184-W1205 HydrophobicContact CD1-CZ2 4.12Å; W1205-T1311 WeakPolarHBondContact O-CG2 3.11Å |
| 1206 | C | 82.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120 | -175.4 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | I1172 H1173 S1174 T1208 L1212 | I1172-C1206 PolarHBondContact O-N 3.04Å; H1173-C1206 CarbonylContact C-O 3.55Å; H1173-C1206 WeakPolarHBondContact CA-O 3.5Å; S1174-C1206 PolarHBondContact N-O 3.13Å; S1174-C1206 PolarHBondContact OG-O 2.94Å; C1206-T1208 VanDerWaalsContact C-N 3.27Å; C1206-T1208 PolarHBondContact O-N 3.38Å; C1206-L1212 HydrophobicContact CB-CB 3.85Å |
| 1207 | S | 82.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -59.2 | -36.1 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | S1174 N1211 | S1174-S1207 WeakPolarHBondContact OG-CA 3.41Å; S1207-N1211 PolarHBondContact OG-ND2 3.39Å |
| 1208 | T | 84.7 | Confident | 82.2 | Confident | 45 Ų | 45 | 42.1 Ų | 42.1 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -133.7 | 160.2 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | H1173 C1206 W1210 N1211 L1212 | H1173-T1208 VanDerWaalsContact CD2-C 3.48Å; H1173-T1208 WeakPolarHBondContact NE2-CA 3.4Å; C1206-T1208 VanDerWaalsContact C-N 3.27Å; C1206-T1208 PolarHBondContact O-N 3.38Å; T1208-W1210 PolarHBondContact O-N 2.86Å; T1208-N1211 PolarHBondContact O-N 3.42Å; T1208-N1211 VanDerWaalsContact O-N 3.1Å; T1208-N1211 VanDerWaalsContact OG1-CG 3.28Å; T1208-N1211 PolarHBondContact OG1-N 2.96Å; T1208-N1211 VanDerWaalsContact OG1-N 3.17Å; T1208-N1211 PolarHBondContact OG1-ND2 3.42Å; T1208-L1212 PolarHBondContact O-N 3.39Å |
| 1209 | E | 86.7 | Confident | 83.8 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.8 | -38.2 | 171.5 | -178.3 | 172.7 | -154 | 0 | 0 | 111.9 | S1140 I1141 H1173 N1211 L1212 I1213 R1244 L1248 | S1140-E1209 VanDerWaalsContact CA-OE1 3.31Å; S1140-E1209 WeakPolarHBondContact CA-OE1 3.42Å; S1140-E1209 VanDerWaalsContact CB-OE2 3.25Å; S1140-E1209 WeakPolarHBondContact CB-OE2 3.31Å; I1141-E1209 PolarHBondContact N-OE1 3.02Å; H1173-E1209 PolarHBondContact CD2-N 3.48Å; H1173-E1209 PolarHBondContact NE2-N 3.27Å; H1173-E1209 VanDerWaalsContact NE2-N 3.1Å; E1209-N1211 VanDerWaalsContact C-N 3.31Å; E1209-N1211 PolarHBondContact O-N 3.01Å; E1209-L1212 WeakPolarHBondContact O-CB 3.38Å; E1209-L1212 PolarHBondContact O-N 2.92Å; E1209-I1213 HydrophobicContact CG-CD1 4.18Å; E1209-I1213 WeakPolarHBondContact O-CG1 3.36Å; E1209-I1213 PolarHBondContact O-N 3.45Å; E1209-R1244 WeakPolarHBondContact OE1-CG 3.17Å; E1209-R1244 IonicContact OE1-CZ 3.47Å; E1209-R1244 IonicContact OE1-NE 3.52Å; E1209-R1244 PolarHBondContact OE1-NE 3.29Å; E1209-R1244 IonicContact OE1-NH2 3.6Å; E1209-R1244 IonicContact OE2-CZ 2.67Å; E1209-R1244 IonicContact OE2-NE 3.42Å; E1209-R1244 PolarHBondContact OE2-NE 3.04Å; E1209-R1244 IonicContact OE2-NH2 2.75Å; E1209-R1244 PolarHBondContact OE2-NH2 3.29Å; E1209-L1248 HydrophobicContact CG-CD1 4.1Å |
| 1210 | W | 85.3 | Confident | 84.8 | Confident | 87 Ų | 87 | 32 Ų | 32 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 175.4 | -174.7 | -88.3 | 0 | 0 | 0 | 112.6 | T1208 I1213 S1214 L1248 R1250 | T1208-W1210 PolarHBondContact O-N 2.86Å; W1210-I1213 PolarHBondContact O-N 2.95Å; W1210-S1214 WeakPolarHBondContact O-CB 3.36Å; W1210-S1214 PolarHBondContact O-N 3.36Å; W1210-S1214 PolarHBondContact O-OG 3.34Å; W1210-L1248 HydrophobicContact CE3-CB 4.34Å; W1210-L1248 HydrophobicContact CZ3-CB 4.3Å; W1210-L1248 WeakPolarHBondContact CZ3-O 3.4Å; W1210-R1250 HydrophobicContact CH2-CB 3.7Å; W1210-R1250 HydrophobicContact CH2-CG 3.86Å; W1210-R1250 HydrophobicContact CZ2-CG 4.43Å; W1210-R1250 HydrophobicContact CZ3-CB 3.82Å; W1210-R1250 HydrophobicContact CZ3-CG 4.37Å |
| 1211 | N | 84.3 | Confident | 85.4 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 27% | 0.267 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -71.7 | -34.6 | 176.8 | -70.4 | -9.9 | 0 | 0 | 0 | 111.6 | S1207 T1208 E1209 S1214 W1215 | S1207-N1211 PolarHBondContact OG-ND2 3.39Å; T1208-N1211 PolarHBondContact O-N 3.42Å; T1208-N1211 VanDerWaalsContact O-N 3.1Å; T1208-N1211 VanDerWaalsContact OG1-CG 3.28Å; T1208-N1211 PolarHBondContact OG1-N 2.96Å; T1208-N1211 VanDerWaalsContact OG1-N 3.17Å; T1208-N1211 PolarHBondContact OG1-ND2 3.42Å; E1209-N1211 VanDerWaalsContact C-N 3.31Å; E1209-N1211 PolarHBondContact O-N 3.01Å; N1211-S1214 PolarHBondContact O-N 2.94Å; N1211-W1215 PolarHBondContact O-N 2.98Å |
| 1212 | L | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 171.3 | -177.1 | 153.9 | 0 | 0 | 0 | 111.4 | I1141 A1144 L1171 H1173 C1206 T1208 E1209 S1214 W1215 I1216 | I1141-L1212 HydrophobicContact CB-CD2 4.44Å; I1141-L1212 HydrophobicContact CG2-CD1 4.21Å; I1141-L1212 HydrophobicContact CG2-CD2 3.76Å; A1144-L1212 HydrophobicContact CB-CD2 4.14Å; L1171-L1212 HydrophobicContact CB-CD1 4.06Å; L1171-L1212 HydrophobicContact CB-CG 3.95Å; L1171-L1212 HydrophobicContact CD2-CG 4.49Å; H1173-L1212 HydrophobicContact CB-CD1 4.25Å; C1206-L1212 HydrophobicContact CB-CB 3.85Å; T1208-L1212 PolarHBondContact O-N 3.39Å; E1209-L1212 WeakPolarHBondContact O-CB 3.38Å; E1209-L1212 PolarHBondContact O-N 2.92Å; L1212-S1214 VanDerWaalsContact C-N 3.31Å; L1212-S1214 PolarHBondContact O-N 3.03Å; L1212-W1215 PolarHBondContact O-N 3.49Å; L1212-I1216 HydrophobicContact CD2-CD1 3.79Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.25Å; L1212-I1216 PolarHBondContact O-N 3.23Å; L1212-I1216 VanDerWaalsContact O-N 3.09Å |
| 1213 | I | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 176.5 | -65.7 | 170.9 | 0 | 0 | 0 | 110.7 | E1209 W1210 I1216 V1217 L1241 A1245 L1248 F1253 | E1209-I1213 HydrophobicContact CG-CD1 4.18Å; E1209-I1213 WeakPolarHBondContact O-CG1 3.36Å; E1209-I1213 PolarHBondContact O-N 3.45Å; W1210-I1213 PolarHBondContact O-N 2.95Å; I1213-I1216 PolarHBondContact O-N 3.45Å; I1213-V1217 PolarHBondContact O-N 3.11Å; I1213-L1241 HydrophobicContact CG1-CD1 3.95Å; I1213-A1245 HydrophobicContact CG2-CB 4.42Å; I1213-L1248 HydrophobicContact CD1-CD1 3.59Å; I1213-F1253 HydrophobicContact CG2-CD2 3.93Å; I1213-F1253 HydrophobicContact CG2-CE2 3.44Å; I1213-F1253 VanDerWaalsContact CG2-CE2 3.44Å; I1213-F1253 HydrophobicContact CG2-CZ 4.13Å |
| 1214 | S | 86.3 | Confident | 85.6 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | W1210 N1211 L1212 V1217 Y1218 R1250 | W1210-S1214 WeakPolarHBondContact O-CB 3.36Å; W1210-S1214 PolarHBondContact O-N 3.36Å; W1210-S1214 PolarHBondContact O-OG 3.34Å; N1211-S1214 PolarHBondContact O-N 2.94Å; L1212-S1214 VanDerWaalsContact C-N 3.31Å; L1212-S1214 PolarHBondContact O-N 3.03Å; S1214-V1217 PolarHBondContact O-N 2.8Å; S1214-Y1218 PolarHBondContact O-N 2.76Å; S1214-R1250 PolarHBondContact OG-NH1 2.88Å |
| 1215 | W | 87.6 | Confident | 86 | Confident | 45 Ų | 45 | 23.7 Ų | 23.7 | 17% | 0.17 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -33.4 | 172.9 | -92.1 | 110.9 | 0 | 0 | 0 | 113.1 | L1171 I1204 N1211 L1212 Y1218 L1219 C1277 | L1171-W1215 HydrophobicContact CD2-CB 3.39Å; L1171-W1215 HydrophobicContact CD2-CG 4.32Å; I1204-W1215 HydrophobicContact CD1-CD2 4.45Å; I1204-W1215 HydrophobicContact CD1-CE3 4.12Å; I1204-W1215 HydrophobicContact CD1-CZ3 4.31Å; I1204-W1215 HydrophobicContact CG2-CD2 4.19Å; I1204-W1215 HydrophobicContact CG2-CG 4.29Å; N1211-W1215 PolarHBondContact O-N 2.98Å; L1212-W1215 PolarHBondContact O-N 3.49Å; W1215-Y1218 AromaticContact CE3-CD1 3.85Å; W1215-Y1218 HydrophobicContact CE3-CD1 3.85Å; W1215-Y1218 HydrophobicContact CE3-CE1 4.45Å; W1215-Y1218 HydrophobicContact CE3-CG 4.27Å; W1215-Y1218 AromaticContact CZ3-CD1 3.71Å; W1215-Y1218 HydrophobicContact CZ3-CD1 3.71Å; W1215-Y1218 AromaticContact CZ3-CE1 3.85Å; W1215-Y1218 HydrophobicContact CZ3-CE1 3.85Å; W1215-Y1218 HydrophobicContact CZ3-CG 4.36Å; W1215-Y1218 PolarHBondContact O-N 2.96Å; W1215-L1219 HydrophobicContact CE3-CG 4.47Å; W1215-L1219 WeakPolarHBondContact O-CB 3.33Å; W1215-L1219 VanDerWaalsContact O-CG 3.29Å; W1215-L1219 WeakPolarHBondContact O-CG 3.43Å; W1215-L1219 PolarHBondContact O-N 3.31Å; W1215-C1277 HydrophobicContact CH2-CB 4.13Å |
| 1216 | I | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 173.6 | -65.3 | 169.9 | 0 | 0 | 0 | 110.4 | A1144 L1146 L1171 L1212 I1213 Y1218 L1219 V1220 W1238 L1241 | A1144-I1216 HydrophobicContact CB-CD1 3.89Å; L1146-I1216 HydrophobicContact CD2-CG2 4.45Å; L1171-I1216 HydrophobicContact CD1-CG1 4.39Å; L1171-I1216 HydrophobicContact CD2-CG1 4.14Å; L1212-I1216 HydrophobicContact CD2-CD1 3.79Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.25Å; L1212-I1216 PolarHBondContact O-N 3.23Å; L1212-I1216 VanDerWaalsContact O-N 3.09Å; I1213-I1216 PolarHBondContact O-N 3.45Å; I1216-Y1218 PolarHBondContact O-N 3.05Å; I1216-L1219 PolarHBondContact O-N 3.48Å; I1216-V1220 HydrophobicContact CG2-CG2 4.32Å; I1216-V1220 WeakPolarHBondContact O-CB 3.26Å; I1216-V1220 WeakPolarHBondContact O-CG2 3.34Å; I1216-V1220 PolarHBondContact O-N 2.9Å; I1216-W1238 HydrophobicContact CG2-CH2 4.38Å; I1216-W1238 HydrophobicContact CG2-CZ3 3.98Å; I1216-L1241 HydrophobicContact CD1-CD1 4.06Å; I1216-L1241 HydrophobicContact CD1-CD2 3.93Å; I1216-L1241 HydrophobicContact CG2-CD2 3.95Å |
| 1217 | V | 86.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 22.1 Ų | 22.1 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | I1213 S1214 L1219 V1220 Q1221 F1253 E1256 L1257 | I1213-V1217 PolarHBondContact O-N 3.11Å; S1214-V1217 PolarHBondContact O-N 2.8Å; V1217-L1219 PolarHBondContact O-N 2.69Å; V1217-V1220 PolarHBondContact O-N 2.91Å; V1217-Q1221 HydrophobicContact CG1-CG 4.4Å; V1217-Q1221 WeakPolarHBondContact O-CB 3.21Å; V1217-Q1221 WeakPolarHBondContact O-CG 3.35Å; V1217-Q1221 PolarHBondContact O-N 3.27Å; V1217-F1253 HydrophobicContact CG2-CD2 3.99Å; V1217-F1253 HydrophobicContact CG2-CE2 3.51Å; V1217-E1256 HydrophobicContact CG1-CB 4.09Å; V1217-E1256 HydrophobicContact CG2-CB 4.46Å; V1217-L1257 HydrophobicContact CG2-CD2 4.25Å |
| 1218 | Y | 84.4 | Confident | 87.2 | Confident | 27 Ų | 27 | 20.9 Ų | 20.9 | 11% | 0.106 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56 | -47.7 | 177.2 | 178.3 | -78.3 | 0 | 0 | 0 | 112.1 | F194 S1214 W1215 I1216 Q1221 T1222 I1274 C1277 I1281 | F194-Y1218 HydrophobicContact CE1-CD2 4.23Å; F194-Y1218 AromaticContact CE1-CE2 3.59Å; F194-Y1218 HydrophobicContact CE1-CE2 3.59Å; F194-Y1218 HydrophobicContact CZ-CD2 4.26Å; F194-Y1218 AromaticContact CZ-CE2 3.99Å; F194-Y1218 HydrophobicContact CZ-CE2 3.99Å; S1214-Y1218 PolarHBondContact O-N 2.76Å; W1215-Y1218 AromaticContact CE3-CD1 3.85Å; W1215-Y1218 HydrophobicContact CE3-CD1 3.85Å; W1215-Y1218 HydrophobicContact CE3-CE1 4.45Å; W1215-Y1218 HydrophobicContact CE3-CG 4.27Å; W1215-Y1218 AromaticContact CZ3-CD1 3.71Å; W1215-Y1218 HydrophobicContact CZ3-CD1 3.71Å; W1215-Y1218 AromaticContact CZ3-CE1 3.85Å; W1215-Y1218 HydrophobicContact CZ3-CE1 3.85Å; W1215-Y1218 HydrophobicContact CZ3-CG 4.36Å; W1215-Y1218 PolarHBondContact O-N 2.96Å; I1216-Y1218 PolarHBondContact O-N 3.05Å; Y1218-Q1221 PolarHBondContact O-N 2.62Å; Y1218-T1222 WeakPolarHBondContact CE1-OG1 3.38Å; Y1218-T1222 VanDerWaalsContact O-CB 3.31Å; Y1218-T1222 WeakPolarHBondContact O-CB 3.41Å; Y1218-T1222 PolarHBondContact O-N 2.78Å; Y1218-T1222 PolarHBondContact O-OG1 2.82Å; Y1218-I1274 HydrophobicContact CE2-CG1 4.27Å; Y1218-I1274 HydrophobicContact CE2-CG2 4.49Å; Y1218-C1277 HydrophobicContact CE2-CB 4.39Å; Y1218-I1281 HydrophobicContact CE1-CD1 3.59Å |
| 1219 | L | 88.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | -179.3 | -72.4 | 170.5 | 0 | 0 | 0 | 111.8 | L1146 F1148 F1169 L1171 I1204 W1215 I1216 V1217 T1222 F1223 | L1146-L1219 HydrophobicContact CD2-CB 4.05Å; L1146-L1219 HydrophobicContact CD2-CD1 4.18Å; F1148-L1219 HydrophobicContact CE2-CB 4.31Å; F1148-L1219 HydrophobicContact CZ-CB 4.1Å; F1169-L1219 HydrophobicContact CB-CD1 4.04Å; F1169-L1219 HydrophobicContact CD1-CD1 4.09Å; F1169-L1219 HydrophobicContact CD1-CD2 3.99Å; F1169-L1219 HydrophobicContact CD2-CD2 4.42Å; F1169-L1219 HydrophobicContact CE1-CD2 3.8Å; F1169-L1219 HydrophobicContact CE2-CD2 4.28Å; F1169-L1219 HydrophobicContact CG-CD1 3.97Å; F1169-L1219 HydrophobicContact CG-CD2 4.29Å; F1169-L1219 HydrophobicContact CZ-CD2 3.96Å; L1171-L1219 HydrophobicContact CD1-CD1 4.26Å; L1171-L1219 HydrophobicContact CD2-CD1 4.36Å; I1204-L1219 HydrophobicContact CD1-CD1 4.26Å; W1215-L1219 HydrophobicContact CE3-CG 4.47Å; W1215-L1219 WeakPolarHBondContact O-CB 3.33Å; W1215-L1219 VanDerWaalsContact O-CG 3.29Å; W1215-L1219 WeakPolarHBondContact O-CG 3.43Å; W1215-L1219 PolarHBondContact O-N 3.31Å; I1216-L1219 PolarHBondContact O-N 3.48Å; V1217-L1219 PolarHBondContact O-N 2.69Å; L1219-T1222 PolarHBondContact O-N 2.92Å; L1219-F1223 HydrophobicContact CD2-CD2 4.48Å; L1219-F1223 HydrophobicContact CD2-CE2 4.21Å; L1219-F1223 WeakPolarHBondContact O-CB 3.3Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.35Å; L1219-F1223 PolarHBondContact O-N 3.07Å |
| 1220 | V | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | I1216 V1217 D1224 P1225 W1238 L1257 | I1216-V1220 HydrophobicContact CG2-CG2 4.32Å; I1216-V1220 WeakPolarHBondContact O-CB 3.26Å; I1216-V1220 WeakPolarHBondContact O-CG2 3.34Å; I1216-V1220 PolarHBondContact O-N 2.9Å; V1217-V1220 PolarHBondContact O-N 2.91Å; V1220-D1224 VanDerWaalsContact O-CA 3.3Å; V1220-D1224 WeakPolarHBondContact O-CA 3.45Å; V1220-D1224 PolarHBondContact O-N 3.2Å; V1220-P1225 HydrophobicContact CG1-CG 4.22Å; V1220-P1225 WeakPolarHBondContact O-CD 3.24Å; V1220-W1238 HydrophobicContact CG2-CH2 3.69Å; V1220-W1238 HydrophobicContact CG2-CZ3 4.06Å; V1220-L1257 HydrophobicContact CB-CD2 4.38Å; V1220-L1257 HydrophobicContact CG1-CD2 4.38Å; V1220-L1257 HydrophobicContact CG2-CD2 4.27Å |
| 1221 | Q | 82.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 14.4 Ų | 14.4 | 25% | 0.248 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.5 | -34.4 | 176.1 | -69.6 | 175.1 | -1.8 | 0 | 0 | 112.5 | V1217 Y1218 E1256 | V1217-Q1221 HydrophobicContact CG1-CG 4.4Å; V1217-Q1221 WeakPolarHBondContact O-CB 3.21Å; V1217-Q1221 WeakPolarHBondContact O-CG 3.35Å; V1217-Q1221 PolarHBondContact O-N 3.27Å; Y1218-Q1221 PolarHBondContact O-N 2.62Å; Q1221-E1256 PolarHBondContact NE2-O 2.91Å |
| 1222 | T | 79.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 12.6 Ų | 12.6 | 14% | 0.141 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -75 | -37.6 | -179.4 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | L197 Y1218 L1219 | L197-T1222 HydrophobicContact CD1-CG2 3.91Å; Y1218-T1222 WeakPolarHBondContact CE1-OG1 3.38Å; Y1218-T1222 VanDerWaalsContact O-CB 3.31Å; Y1218-T1222 WeakPolarHBondContact O-CB 3.41Å; Y1218-T1222 PolarHBondContact O-N 2.78Å; Y1218-T1222 PolarHBondContact O-OG1 2.82Å; L1219-T1222 PolarHBondContact O-N 2.92Å |
| 1223 | F | 83.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 12.6 Ų | 12.6 | 12% | 0.123 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -93.2 | -14.3 | -180 | -80.4 | -102 | 0 | 0 | 0 | 113.6 | F1148 D1167 F1169 L1219 | F1148-F1223 HydrophobicContact CB-CD1 4.03Å; F1148-F1223 HydrophobicContact CD1-CB 3.61Å; F1148-F1223 HydrophobicContact CD1-CD1 4.21Å; F1148-F1223 HydrophobicContact CD1-CG 4.02Å; F1148-F1223 HydrophobicContact CD2-CB 4.45Å; F1148-F1223 AromaticContact CD2-CD1 3.99Å; F1148-F1223 HydrophobicContact CD2-CD1 3.99Å; F1148-F1223 HydrophobicContact CD2-CD2 4.33Å; F1148-F1223 HydrophobicContact CD2-CE1 4.34Å; F1148-F1223 HydrophobicContact CD2-CG 4Å; F1148-F1223 HydrophobicContact CE1-CB 3.49Å; F1148-F1223 VanDerWaalsContact CE1-CB 3.49Å; F1148-F1223 HydrophobicContact CE1-CG 4.06Å; F1148-F1223 HydrophobicContact CE2-CB 4.35Å; F1148-F1223 HydrophobicContact CE2-CD1 4.47Å; F1148-F1223 HydrophobicContact CE2-CD2 4.03Å; F1148-F1223 HydrophobicContact CE2-CG 4.03Å; F1148-F1223 HydrophobicContact CG-CB 4.1Å; F1148-F1223 AromaticContact CG-CD1 3.83Å; F1148-F1223 HydrophobicContact CG-CD1 3.83Å; F1148-F1223 HydrophobicContact CG-CE1 4.49Å; F1148-F1223 AromaticContact CG-CG 3.99Å; F1148-F1223 HydrophobicContact CG-CG 3.99Å; F1148-F1223 HydrophobicContact CZ-CB 3.88Å; F1148-F1223 HydrophobicContact CZ-CD2 4.18Å; F1148-F1223 HydrophobicContact CZ-CG 4.05Å; D1167-F1223 HydrophobicContact CB-CE1 4.01Å; D1167-F1223 HydrophobicContact CB-CZ 4.48Å; F1169-F1223 HydrophobicContact CE2-CE1 4.27Å; F1169-F1223 AromaticContact CE2-CE2 3.61Å; F1169-F1223 HydrophobicContact CE2-CE2 3.61Å; F1169-F1223 AromaticContact CE2-CZ 3.47Å; F1169-F1223 HydrophobicContact CE2-CZ 3.47Å; F1169-F1223 VanDerWaalsContact CE2-CZ 3.47Å; F1169-F1223 AromaticContact CZ-CE2 3.63Å; F1169-F1223 HydrophobicContact CZ-CE2 3.63Å; F1169-F1223 AromaticContact CZ-CZ 3.6Å; F1169-F1223 HydrophobicContact CZ-CZ 3.6Å; L1219-F1223 HydrophobicContact CD2-CD2 4.48Å; L1219-F1223 HydrophobicContact CD2-CE2 4.21Å; L1219-F1223 WeakPolarHBondContact O-CB 3.3Å; L1219-F1223 WeakPolarHBondContact O-CD2 3.35Å; L1219-F1223 PolarHBondContact O-N 3.07Å |
| 1224 | D | 86.8 | Confident | 88.3 | Confident | 18 Ų | 18 | 14.8 Ų | 14.8 | 10% | 0.096 | 7% | 0.072 | C | C | . | . | trans | 38.3 | 66 | -180 | -164.5 | 47 | 0 | 0 | 0 | 115.5 | K53 M226 T1090 V1220 R1259 R1371 | K53-D1224 WeakPolarHBondContact CG-OD2 3.33Å; M226-D1224 WeakPolarHBondContact CE-OD1 3.49Å; M226-D1224 WeakPolarHBondContact CE-OD2 3.45Å; T1090-D1224 PolarHBondContact OG1-O 3.43Å; T1090-D1224 VanDerWaalsContact OG1-O 3.08Å; V1220-D1224 VanDerWaalsContact O-CA 3.3Å; V1220-D1224 WeakPolarHBondContact O-CA 3.45Å; V1220-D1224 PolarHBondContact O-N 3.2Å; D1224-R1259 PolarHBondContact O-NH2 3.32Å; D1224-R1259 IonicContact OD1-CZ 2.61Å; D1224-R1259 IonicContact OD1-NE 3.27Å; D1224-R1259 PolarHBondContact OD1-NE 3.45Å; D1224-R1259 IonicContact OD1-NH2 3.51Å; D1224-R1259 IonicContact OD2-CZ 3.48Å; D1224-R1259 IonicContact OD2-NE 3.8Å; D1224-R1259 PolarHBondContact OD2-NE 3.4Å; D1224-R1259 IonicContact OD2-NH2 3.23Å; D1224-R1259 PolarHBondContact OD2-NH2 3.05Å; D1224-R1371 IonicContact OD1-CZ 2.85Å; D1224-R1371 IonicContact OD1-NH1 2.86Å; D1224-R1371 PolarHBondContact OD1-NH1 3.06Å; D1224-R1371 IonicContact OD1-NH2 3.52Å; D1224-R1371 PolarHBondContact OD1-NH2 3.01Å | ||
| 1225 | P | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -70.8 | 131.8 | 177.9 | 30.9 | -35.7 | 0 | 0 | 0 | 112.2 | T1090 A1092 F1148 V1220 I1227 L1228 R1371 | T1090-P1225 WeakPolarHBondContact OG1-CA 3.49Å; A1092-P1225 HydrophobicContact CB-CB 3.74Å; A1092-P1225 HydrophobicContact CB-CG 3.73Å; F1148-P1225 HydrophobicContact CE1-CG 4.17Å; V1220-P1225 HydrophobicContact CG1-CG 4.22Å; V1220-P1225 WeakPolarHBondContact O-CD 3.24Å; P1225-I1227 VanDerWaalsContact C-N 3.32Å; P1225-L1228 HydrophobicContact CB-CD2 4.36Å; P1225-L1228 HydrophobicContact CG-CD2 3.65Å; P1225-R1371 PolarHBondContact O-NH1 3.33Å | ||
| 1226 | E | 90 | Very high | 88.4 | Confident | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -59.3 | -43.8 | 165.9 | -91.2 | 75.4 | -129 | 0 | 0 | 112 | F11 K53 T1089 T1090 R1259 R1371 V1372 | F11-E1226 HydrophobicContact CD1-CB 4.21Å; F11-E1226 HydrophobicContact CD1-CG 3.66Å; F11-E1226 HydrophobicContact CD2-CB 4.49Å; F11-E1226 HydrophobicContact CD2-CG 3.96Å; F11-E1226 HydrophobicContact CE1-CB 3.66Å; F11-E1226 HydrophobicContact CE1-CG 3.65Å; F11-E1226 HydrophobicContact CE2-CB 4Å; F11-E1226 HydrophobicContact CE2-CG 3.97Å; F11-E1226 HydrophobicContact CG-CG 3.83Å; F11-E1226 HydrophobicContact CZ-CB 3.57Å; F11-E1226 HydrophobicContact CZ-CG 3.84Å; K53-E1226 WeakPolarHBondContact CD-OE1 3.36Å; K53-E1226 WeakPolarHBondContact CE-OE1 3.37Å; K53-E1226 IonicContact NZ-OE1 3.37Å; K53-E1226 PolarHBondContact NZ-OE1 2.87Å; K53-E1226 IonicContact NZ-OE2 2.88Å; K53-E1226 PolarHBondContact NZ-OE2 2.67Å; T1089-E1226 WeakPolarHBondContact CA-OE2 3.21Å; T1089-E1226 HydrophobicContact CG2-CB 4.2Å; T1089-E1226 HydrophobicContact CG2-CG 4.5Å; T1090-E1226 PolarHBondContact N-OE2 2.76Å; T1090-E1226 PolarHBondContact O-N 3.29Å; T1090-E1226 PolarHBondContact OG1-OE2 3.02Å; E1226-R1259 IonicContact OE1-CZ 3.42Å; E1226-R1259 IonicContact OE1-NH1 3.58Å; E1226-R1259 PolarHBondContact OE1-NH1 3.28Å; E1226-R1259 IonicContact OE1-NH2 3.14Å; E1226-R1259 PolarHBondContact OE1-NH2 3.48Å; E1226-R1371 WeakPolarHBondContact O-CA 3.11Å; E1226-V1372 PolarHBondContact O-N 3.44Å |
| 1227 | I | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.6 | -169.1 | -60.6 | 174.8 | 0 | 0 | 0 | 110.2 | F11 T1089 T1090 V1091 A1092 P1225 V1372 L1374 I1447 F1461 | F11-I1227 HydrophobicContact CE2-CG1 4.41Å; F11-I1227 HydrophobicContact CZ-CD1 4.48Å; F11-I1227 HydrophobicContact CZ-CG1 3.88Å; T1089-I1227 HydrophobicContact CG2-CD1 4.07Å; T1090-I1227 PolarHBondContact O-N 2.79Å; T1090-I1227 VanDerWaalsContact O-N 3.11Å; V1091-I1227 CarbonylContact C-O 3.56Å; V1091-I1227 WeakPolarHBondContact CA-O 3.24Å; V1091-I1227 HydrophobicContact CG1-CB 4.18Å; V1091-I1227 HydrophobicContact CG1-CG2 4.12Å; V1091-I1227 HydrophobicContact CG2-CB 4.36Å; A1092-I1227 PolarHBondContact N-O 3.49Å; P1225-I1227 VanDerWaalsContact C-N 3.32Å; I1227-V1372 CarbonylContact C-O 3.59Å; I1227-V1372 WeakPolarHBondContact CA-O 3.49Å; I1227-V1372 HydrophobicContact CG1-CB 4.45Å; I1227-L1374 HydrophobicContact CG2-CD1 3.73Å; I1227-L1374 HydrophobicContact CG2-CG 4Å; I1227-I1447 HydrophobicContact CD1-CD1 3.76Å; I1227-I1447 HydrophobicContact CD1-CG1 4.1Å; I1227-F1461 HydrophobicContact CD1-CE1 3.76Å; I1227-F1461 HydrophobicContact CD1-CZ 3.82Å |
| 1228 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.1 | 167.5 | -56.1 | -174.4 | 0 | 0 | 0 | 108.7 | A1092 P1225 W1238 V1372 V1373 L1374 | A1092-L1228 HydrophobicContact CB-CD2 4.04Å; P1225-L1228 HydrophobicContact CB-CD2 4.36Å; P1225-L1228 HydrophobicContact CG-CD2 3.65Å; L1228-W1238 HydrophobicContact CB-CD2 4.42Å; L1228-W1238 HydrophobicContact CB-CZ2 4.29Å; L1228-W1238 HydrophobicContact CD1-CD2 4.45Å; L1228-W1238 HydrophobicContact CD1-CE3 4.35Å; L1228-W1238 HydrophobicContact CD1-CZ3 4.42Å; L1228-W1238 HydrophobicContact CD2-CH2 4.01Å; L1228-W1238 HydrophobicContact CD2-CZ2 3.89Å; L1228-W1238 HydrophobicContact CG-CZ2 4.49Å; L1228-V1372 PolarHBondContact N-O 3Å; L1228-V1373 HydrophobicContact CB-CG2 4.44Å; L1228-V1373 HydrophobicContact CD1-CG2 4.48Å; L1228-V1373 WeakPolarHBondContact O-CA 3.46Å; L1228-L1374 PolarHBondContact O-N 3.28Å |
| 1229 | I | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 153.4 | -179.6 | -160.3 | 166.9 | 0 | 0 | 0 | 110.9 | V1091 A1092 S1093 L1094 W1238 L1374 F1376 L1438 L1441 | V1091-I1229 HydrophobicContact CG1-CB 4.38Å; V1091-I1229 HydrophobicContact CG1-CG2 3.73Å; A1092-I1229 PolarHBondContact O-N 2.99Å; S1093-I1229 WeakPolarHBondContact CA-O 3.39Å; L1094-I1229 PolarHBondContact N-O 2.92Å; L1094-I1229 VanDerWaalsContact N-O 3.09Å; I1229-W1238 PolarHBondContact O-NE1 3.27Å; I1229-L1374 HydrophobicContact CG1-CB 4.35Å; I1229-F1376 HydrophobicContact CD1-CB 4.04Å; I1229-F1376 HydrophobicContact CD1-CD1 4.12Å; I1229-F1376 HydrophobicContact CD1-CD2 4.05Å; I1229-F1376 HydrophobicContact CD1-CG 3.83Å; I1229-F1376 HydrophobicContact CG1-CB 4.01Å; I1229-F1376 HydrophobicContact CG1-CG 4.34Å; I1229-L1438 HydrophobicContact CG2-CD2 4.44Å; I1229-L1441 HydrophobicContact CD1-CD1 3.77Å |
| 1230 | G | 90.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 154.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | F1376 | G1230-F1376 PolarHBondContact O-N 3.44Å |
| 1231 | Y | 93.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 14 Ų | 14 | 5% | 0.047 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -64.2 | -50.6 | -171.2 | -168.2 | -94.8 | 0 | 0 | 0 | 112 | E1095 F1376 W1377 L1380 Y1389 V1391 V1394 | E1095-Y1231 WeakPolarHBondContact OE1-CB 3.29Å; E1095-Y1231 PolarHBondContact OE1-N 3.34Å; Y1231-F1376 HydrophobicContact CD2-CD1 4.16Å; Y1231-F1376 PolarHBondContact O-N 3.01Å; Y1231-W1377 HydrophobicContact CD1-CB 4.21Å; Y1231-W1377 HydrophobicContact CE1-CB 3.66Å; Y1231-W1377 VanDerWaalsContact O-CD1 3.24Å; Y1231-W1377 PolarHBondContact O-N 2.87Å; Y1231-L1380 HydrophobicContact CE2-CD1 3.64Å; Y1231-Y1389 WeakPolarHBondContact CE1-O 3.47Å; Y1231-Y1389 PolarHBondContact OH-O 2.73Å; Y1231-V1391 HydrophobicContact CD1-CG2 3.44Å; Y1231-V1391 VanDerWaalsContact CD1-CG2 3.44Å; Y1231-V1391 HydrophobicContact CD2-CG2 3.46Å; Y1231-V1391 VanDerWaalsContact CD2-CG2 3.46Å; Y1231-V1391 HydrophobicContact CE1-CG2 3.68Å; Y1231-V1391 HydrophobicContact CE2-CB 4.48Å; Y1231-V1391 HydrophobicContact CE2-CG2 3.69Å; Y1231-V1391 HydrophobicContact CG-CG2 3.3Å; Y1231-V1394 WeakPolarHBondContact OH-CG2 3.4Å |
| 1232 | D | 90.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 12 Ų | 12 | 7% | 0.07 | 6% | 0.058 | C | C | . | . | trans | -124.2 | 105.4 | 169.8 | -179.7 | -13.9 | 0 | 0 | 0 | 108 | E1234 R1235 F1236 | D1232-E1234 PolarHBondContact OD1-N 3.14Å; D1232-E1234 VanDerWaalsContact OD1-N 3.08Å; D1232-R1235 PolarHBondContact OD1-N 3.39Å; D1232-R1235 IonicContact OD2-CZ 2.69Å; D1232-R1235 VanDerWaalsContact OD2-CZ 3.3Å; D1232-R1235 IonicContact OD2-NE 2.69Å; D1232-R1235 PolarHBondContact OD2-NE 2.94Å; D1232-R1235 IonicContact OD2-NH2 2.77Å; D1232-R1235 PolarHBondContact OD2-NH2 3.16Å; D1232-F1236 HydrophobicContact CB-CD2 4.18Å; D1232-F1236 CarbonylContact O-C 3.6Å; D1232-F1236 VanDerWaalsContact O-C 3.25Å; D1232-F1236 WeakPolarHBondContact O-CA 3.24Å; D1232-F1236 WeakPolarHBondContact O-CB 3.39Å; D1232-F1236 PolarHBondContact O-N 3.4Å | ||
| 1233 | I | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.9 | 178.9 | -62.9 | -172.9 | 0 | 0 | 0 | 111.5 | F1236 W1238 G1239 P1365 F1366 V1373 L1374 C1375 | I1233-F1236 CarbonylContact C-O 3.6Å; I1233-F1236 VanDerWaalsContact O-O 3.11Å; I1233-W1238 HydrophobicContact CG2-CB 3.96Å; I1233-G1239 WeakPolarHBondContact O-CA 3.41Å; I1233-G1239 PolarHBondContact O-N 2.96Å; I1233-G1239 VanDerWaalsContact O-N 3.12Å; I1233-P1365 HydrophobicContact CB-CG 4.37Å; I1233-P1365 HydrophobicContact CG2-CG 3.63Å; I1233-F1366 HydrophobicContact CG2-CE1 4.09Å; I1233-V1373 HydrophobicContact CD1-CG1 3.78Å; I1233-V1373 HydrophobicContact CG2-CG1 4.24Å; I1233-L1374 WeakPolarHBondContact CD1-O 3.47Å; I1233-C1375 HydrophobicContact CB-CB 4.35Å; I1233-C1375 PolarHBondContact N-SG 3.38Å |
| 1234 | E | 85.6 | Confident | 90.6 | Very high | 45 Ų | 45 | 14.6 Ų | 14.6 | 21% | 0.21 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -37.1 | -175.8 | -77.1 | 152.4 | -116.5 | 0 | 0 | 112.2 | D1232 P1365 C1375 R1378 L1897 | D1232-E1234 PolarHBondContact OD1-N 3.14Å; D1232-E1234 VanDerWaalsContact OD1-N 3.08Å; E1234-P1365 HydrophobicContact CG-CB 4.11Å; E1234-P1365 HydrophobicContact CG-CG 4.11Å; E1234-C1375 PolarHBondContact OE1-SG 2.95Å; E1234-R1378 WeakPolarHBondContact OE1-CD 3.35Å; E1234-R1378 IonicContact OE1-CZ 2.68Å; E1234-R1378 IonicContact OE1-NE 3.34Å; E1234-R1378 PolarHBondContact OE1-NE 3.17Å; E1234-R1378 IonicContact OE1-NH2 3.55Å; E1234-R1378 IonicContact OE2-CZ 2.76Å; E1234-R1378 IonicContact OE2-NE 3Å; E1234-R1378 PolarHBondContact OE2-NE 2.92Å; E1234-R1378 IonicContact OE2-NH2 2.99Å; E1234-R1378 PolarHBondContact OE2-NH2 3.17Å; E1234-L1897 HydrophobicContact CB-CD1 3.93Å; E1234-L1897 HydrophobicContact CB-CD2 4.26Å |
| 1235 | R | 85.7 | Confident | 90.8 | Very high | 40 Ų | 40 | 13.8 Ų | 13.8 | 15% | 0.151 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -23 | 177.6 | -67.1 | 178 | -63.6 | -157.1 | -2.3 | 114 | D1232 R1893 E1895 L1897 E1900 | D1232-R1235 PolarHBondContact OD1-N 3.39Å; D1232-R1235 IonicContact OD2-CZ 2.69Å; D1232-R1235 VanDerWaalsContact OD2-CZ 3.3Å; D1232-R1235 IonicContact OD2-NE 2.69Å; D1232-R1235 PolarHBondContact OD2-NE 2.94Å; D1232-R1235 IonicContact OD2-NH2 2.77Å; D1232-R1235 PolarHBondContact OD2-NH2 3.16Å; R1235-R1893 PolarHBondContact O-NH2 3.11Å; R1235-E1895 PolarHBondContact NH1-O 3.33Å; R1235-L1897 HydrophobicContact CG-CD1 4.14Å; R1235-L1897 HydrophobicContact CG-CD2 4.16Å; R1235-L1897 HydrophobicContact CG-CG 4.32Å; R1235-E1900 IonicContact CZ-OE1 3.8Å; R1235-E1900 IonicContact CZ-OE2 3.44Å; R1235-E1900 IonicContact NH1-OE1 2.72Å; R1235-E1900 PolarHBondContact NH1-OE1 3.4Å; R1235-E1900 IonicContact NH1-OE2 3.89Å; R1235-E1900 PolarHBondContact NH1-OE2 2.98Å; R1235-E1900 IonicContact NH2-OE1 3.83Å; R1235-E1900 PolarHBondContact NH2-OE1 3.23Å; R1235-E1900 IonicContact NH2-OE2 3.27Å; R1235-E1900 PolarHBondContact NH2-OE2 2.92Å |
| 1236 | F | 90.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 17 Ų | 17 | 22% | 0.215 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -135.8 | -159.1 | -172.2 | -56 | -72.6 | 0 | 0 | 0 | 111.3 | I1133 D1232 I1233 W1238 G1239 Y1240 F1408 | I1133-F1236 HydrophobicContact CG2-CE1 3.94Å; I1133-F1236 HydrophobicContact CG2-CZ 3.78Å; D1232-F1236 HydrophobicContact CB-CD2 4.18Å; D1232-F1236 CarbonylContact O-C 3.6Å; D1232-F1236 VanDerWaalsContact O-C 3.25Å; D1232-F1236 WeakPolarHBondContact O-CA 3.24Å; D1232-F1236 WeakPolarHBondContact O-CB 3.39Å; D1232-F1236 PolarHBondContact O-N 3.4Å; I1233-F1236 CarbonylContact C-O 3.6Å; I1233-F1236 VanDerWaalsContact O-O 3.11Å; F1236-W1238 PolarHBondContact O-N 2.76Å; F1236-G1239 PolarHBondContact O-N 3.19Å; F1236-Y1240 PolarHBondContact O-N 3.16Å; F1236-Y1240 VanDerWaalsContact O-N 3.16Å; F1236-F1408 HydrophobicContact CD1-CZ 4.37Å; F1236-F1408 HydrophobicContact CE1-CE1 4.03Å; F1236-F1408 HydrophobicContact CE1-CE2 4.18Å; F1236-F1408 AromaticContact CE1-CZ 3.52Å; F1236-F1408 HydrophobicContact CE1-CZ 3.52Å; F1236-F1408 HydrophobicContact CE2-CZ 4.37Å; F1236-F1408 HydrophobicContact CZ-CE1 4.45Å; F1236-F1408 AromaticContact CZ-CE2 3.96Å; F1236-F1408 HydrophobicContact CZ-CE2 3.96Å; F1236-F1408 AromaticContact CZ-CZ 3.52Å; F1236-F1408 HydrophobicContact CZ-CZ 3.52Å |
| 1237 | S | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | 46 | -122.1 | 173.1 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | L1094 L1096 L1241 | L1094-S1237 VanDerWaalsContact O-CB 3.23Å; L1094-S1237 WeakPolarHBondContact O-CB 3.34Å; L1094-S1237 PolarHBondContact O-OG 3.26Å; L1096-S1237 VanDerWaalsContact CD1-O 3.31Å; L1096-S1237 WeakPolarHBondContact CD1-O 3.34Å; S1237-L1241 PolarHBondContact O-N 2.73Å |
| 1238 | W | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.5 | -32.8 | -174.9 | -57.9 | 96.1 | 0 | 0 | 0 | 114.1 | A1092 L1094 L1146 I1216 V1220 L1228 I1229 I1233 F1236 L1241 V1242 L1257 F1366 | A1092-W1238 HydrophobicContact CB-CZ2 4.29Å; L1094-W1238 HydrophobicContact CB-CD2 4.1Å; L1094-W1238 VanDerWaalsContact CB-CE2 3.47Å; L1094-W1238 HydrophobicContact CB-CH2 4.35Å; L1094-W1238 HydrophobicContact CB-CZ2 3.63Å; L1094-W1238 HydrophobicContact CD2-CD2 3.66Å; L1094-W1238 HydrophobicContact CD2-CE3 3.75Å; L1094-W1238 HydrophobicContact CD2-CG 4.13Å; L1094-W1238 HydrophobicContact CD2-CH2 4.29Å; L1094-W1238 HydrophobicContact CD2-CZ2 4.24Å; L1094-W1238 HydrophobicContact CD2-CZ3 4.07Å; L1146-W1238 HydrophobicContact CD1-CH2 3.86Å; L1146-W1238 HydrophobicContact CD1-CZ2 3.87Å; I1216-W1238 HydrophobicContact CG2-CH2 4.38Å; I1216-W1238 HydrophobicContact CG2-CZ3 3.98Å; V1220-W1238 HydrophobicContact CG2-CH2 3.69Å; V1220-W1238 HydrophobicContact CG2-CZ3 4.06Å; L1228-W1238 HydrophobicContact CB-CD2 4.42Å; L1228-W1238 HydrophobicContact CB-CZ2 4.29Å; L1228-W1238 HydrophobicContact CD1-CD2 4.45Å; L1228-W1238 HydrophobicContact CD1-CE3 4.35Å; L1228-W1238 HydrophobicContact CD1-CZ3 4.42Å; L1228-W1238 HydrophobicContact CD2-CH2 4.01Å; L1228-W1238 HydrophobicContact CD2-CZ2 3.89Å; L1228-W1238 HydrophobicContact CG-CZ2 4.49Å; I1229-W1238 PolarHBondContact O-NE1 3.27Å; I1233-W1238 HydrophobicContact CG2-CB 3.96Å; F1236-W1238 PolarHBondContact O-N 2.76Å; W1238-L1241 HydrophobicContact CE3-CD2 4.08Å; W1238-L1241 HydrophobicContact CZ3-CD2 4.29Å; W1238-L1241 WeakPolarHBondContact O-CB 3.18Å; W1238-L1241 PolarHBondContact O-N 2.99Å; W1238-V1242 WeakPolarHBondContact O-CG2 3.32Å; W1238-V1242 PolarHBondContact O-N 3Å; W1238-L1257 HydrophobicContact CE3-CD1 4.12Å; W1238-L1257 HydrophobicContact CZ3-CD1 4.31Å; W1238-L1257 HydrophobicContact CZ3-CD2 4.19Å; W1238-F1366 HydrophobicContact CB-CE1 3.71Å; W1238-F1366 HydrophobicContact CB-CZ 3.75Å |
| 1239 | G | 89.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1233 F1236 L1241 V1242 E1243 | I1233-G1239 WeakPolarHBondContact O-CA 3.41Å; I1233-G1239 PolarHBondContact O-N 2.96Å; I1233-G1239 VanDerWaalsContact O-N 3.12Å; F1236-G1239 PolarHBondContact O-N 3.19Å; G1239-L1241 VanDerWaalsContact C-N 3.27Å; G1239-L1241 PolarHBondContact O-N 3.37Å; G1239-V1242 PolarHBondContact O-N 3.1Å; G1239-V1242 VanDerWaalsContact O-N 3.15Å; G1239-E1243 PolarHBondContact O-N 3.3Å |
| 1240 | Y | 92.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.9 | -44.2 | 170.9 | -168.6 | -68.1 | 0 | 0 | 0 | 111.2 | L1096 C1098 P1134 D1135 P1136 D1139 I1141 F1236 R1244 | L1096-Y1240 HydrophobicContact CD1-CD1 4.11Å; L1096-Y1240 HydrophobicContact CD1-CG 4.43Å; C1098-Y1240 HydrophobicContact CB-CE1 4.3Å; C1098-Y1240 WeakPolarHBondContact SG-CE1 3.42Å; P1134-Y1240 HydrophobicContact CB-CE2 3.87Å; D1135-Y1240 PolarHBondContact O-OH 3.43Å; P1136-Y1240 HydrophobicContact CB-CE1 4.32Å; P1136-Y1240 HydrophobicContact CB-CE2 4.47Å; P1136-Y1240 HydrophobicContact CG-CD1 4.16Å; P1136-Y1240 HydrophobicContact CG-CD2 3.56Å; P1136-Y1240 HydrophobicContact CG-CE1 4.19Å; P1136-Y1240 HydrophobicContact CG-CE2 3.62Å; P1136-Y1240 HydrophobicContact CG-CG 3.82Å; D1139-Y1240 PolarHBondContact O-OH 3.46Å; I1141-Y1240 HydrophobicContact CG1-CD1 4.38Å; I1141-Y1240 HydrophobicContact CG1-CE1 4.14Å; F1236-Y1240 PolarHBondContact O-N 3.16Å; F1236-Y1240 VanDerWaalsContact O-N 3.16Å; Y1240-R1244 HydrophobicContact CD1-CB 4.38Å; Y1240-R1244 HydrophobicContact CE1-CB 4.35Å; Y1240-R1244 WeakPolarHBondContact O-CB 3.31Å; Y1240-R1244 PolarHBondContact O-N 2.68Å |
| 1241 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 178 | -175.1 | 65 | 0 | 0 | 0 | 112.4 | L1094 L1096 I1141 I1213 I1216 S1237 W1238 G1239 A1245 F1253 | L1094-L1241 HydrophobicContact CD2-CD2 3.85Å; L1096-L1241 HydrophobicContact CD1-CB 4.35Å; I1141-L1241 HydrophobicContact CD1-CD1 3.47Å; I1141-L1241 VanDerWaalsContact CD1-CD1 3.47Å; I1213-L1241 HydrophobicContact CG1-CD1 3.95Å; I1216-L1241 HydrophobicContact CD1-CD1 4.06Å; I1216-L1241 HydrophobicContact CD1-CD2 3.93Å; I1216-L1241 HydrophobicContact CG2-CD2 3.95Å; S1237-L1241 PolarHBondContact O-N 2.73Å; W1238-L1241 HydrophobicContact CE3-CD2 4.08Å; W1238-L1241 HydrophobicContact CZ3-CD2 4.29Å; W1238-L1241 WeakPolarHBondContact O-CB 3.18Å; W1238-L1241 PolarHBondContact O-N 2.99Å; G1239-L1241 VanDerWaalsContact C-N 3.27Å; G1239-L1241 PolarHBondContact O-N 3.37Å; L1241-A1245 VanDerWaalsContact O-CB 3.25Å; L1241-A1245 WeakPolarHBondContact O-CB 3.33Å; L1241-A1245 PolarHBondContact O-N 3.32Å; L1241-F1253 HydrophobicContact CD1-CZ 4.35Å; L1241-F1253 HydrophobicContact CD2-CE1 4.11Å; L1241-F1253 HydrophobicContact CD2-CZ 3.67Å; L1241-F1253 HydrophobicContact CG-CE1 3.78Å; L1241-F1253 HydrophobicContact CG-CZ 3.62Å |
| 1242 | V | 91.4 | Very high | 87.6 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69 | -47.4 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | W1238 G1239 R1244 A1245 N1246 F1253 T1254 F1366 | W1238-V1242 WeakPolarHBondContact O-CG2 3.32Å; W1238-V1242 PolarHBondContact O-N 3Å; G1239-V1242 PolarHBondContact O-N 3.1Å; G1239-V1242 VanDerWaalsContact O-N 3.15Å; V1242-R1244 VanDerWaalsContact C-N 3.3Å; V1242-R1244 PolarHBondContact O-N 3.3Å; V1242-A1245 PolarHBondContact O-N 3.18Å; V1242-N1246 WeakPolarHBondContact O-CB 3.2Å; V1242-N1246 PolarHBondContact O-N 2.82Å; V1242-N1246 PolarHBondContact O-ND2 2.93Å; V1242-F1253 HydrophobicContact CB-CD1 4.4Å; V1242-F1253 HydrophobicContact CG2-CD1 3.88Å; V1242-F1253 HydrophobicContact CG2-CE1 3.84Å; V1242-T1254 HydrophobicContact CG1-CG2 3.74Å; V1242-T1254 HydrophobicContact CG2-CG2 4.1Å; V1242-F1366 HydrophobicContact CG2-CD1 4Å; V1242-F1366 HydrophobicContact CG2-CD2 4.13Å; V1242-F1366 HydrophobicContact CG2-CE1 4.05Å; V1242-F1366 HydrophobicContact CG2-CE2 4.16Å; V1242-F1366 HydrophobicContact CG2-CG 4.06Å; V1242-F1366 HydrophobicContact CG2-CZ 4.13Å |
| 1243 | E | 91.2 | Very high | 87.3 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.1 | -74.2 | 178.9 | -151.3 | 0 | 0 | 110.9 | P1136 G1239 N1246 H1247 R1893 | P1136-E1243 HydrophobicContact CB-CB 3.56Å; P1136-E1243 HydrophobicContact CG-CB 3.87Å; P1136-E1243 WeakPolarHBondContact CG-OE2 3.28Å; G1239-E1243 PolarHBondContact O-N 3.3Å; E1243-N1246 PolarHBondContact O-N 3.49Å; E1243-H1247 WeakPolarHBondContact O-CB 3.37Å; E1243-H1247 PolarHBondContact O-N 3.2Å; E1243-R1893 IonicContact OE2-NH1 3.18Å; E1243-R1893 PolarHBondContact OE2-NH1 3.01Å |
| 1244 | R | 92.3 | Very high | 86.9 | Confident | 23 Ų | 23 | 42 Ų | 42 | 9% | 0.087 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 178.7 | -173.2 | 64.1 | -176.7 | 156.8 | 7.2 | 112.4 | P1136 I1137 I1141 E1209 Y1240 V1242 H1247 L1248 | P1136-R1244 HydrophobicContact CB-CB 4.36Å; P1136-R1244 WeakPolarHBondContact O-CD 3.41Å; P1136-R1244 PolarHBondContact O-NH1 3.26Å; I1137-R1244 PolarHBondContact O-NH1 2.95Å; I1141-R1244 HydrophobicContact CD1-CB 4.49Å; I1141-R1244 HydrophobicContact CD1-CG 4.21Å; I1141-R1244 HydrophobicContact CG1-CG 4.37Å; E1209-R1244 WeakPolarHBondContact OE1-CG 3.17Å; E1209-R1244 IonicContact OE1-CZ 3.47Å; E1209-R1244 IonicContact OE1-NE 3.52Å; E1209-R1244 PolarHBondContact OE1-NE 3.29Å; E1209-R1244 IonicContact OE1-NH2 3.6Å; E1209-R1244 IonicContact OE2-CZ 2.67Å; E1209-R1244 IonicContact OE2-NE 3.42Å; E1209-R1244 PolarHBondContact OE2-NE 3.04Å; E1209-R1244 IonicContact OE2-NH2 2.75Å; E1209-R1244 PolarHBondContact OE2-NH2 3.29Å; Y1240-R1244 HydrophobicContact CD1-CB 4.38Å; Y1240-R1244 HydrophobicContact CE1-CB 4.35Å; Y1240-R1244 WeakPolarHBondContact O-CB 3.31Å; Y1240-R1244 PolarHBondContact O-N 2.68Å; V1242-R1244 VanDerWaalsContact C-N 3.3Å; V1242-R1244 PolarHBondContact O-N 3.3Å; R1244-H1247 PolarHBondContact O-N 3.28Å; R1244-L1248 HydrophobicContact CG-CD1 4.16Å; R1244-L1248 WeakPolarHBondContact O-CG 3.22Å; R1244-L1248 PolarHBondContact O-N 3.27Å |
| 1245 | A | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1213 L1241 V1242 L1248 G1249 R1250 F1253 | I1213-A1245 HydrophobicContact CG2-CB 4.42Å; L1241-A1245 VanDerWaalsContact O-CB 3.25Å; L1241-A1245 WeakPolarHBondContact O-CB 3.33Å; L1241-A1245 PolarHBondContact O-N 3.32Å; V1242-A1245 PolarHBondContact O-N 3.18Å; A1245-L1248 CarbonylContact O-C 3.6Å; A1245-L1248 PolarHBondContact O-N 3.46Å; A1245-G1249 PolarHBondContact O-N 3.3Å; A1245-R1250 HydrophobicContact CB-CB 4.33Å; A1245-R1250 WeakPolarHBondContact O-CA 3.26Å; A1245-R1250 WeakPolarHBondContact O-CB 3.29Å; A1245-R1250 PolarHBondContact O-N 2.74Å; A1245-F1253 HydrophobicContact CB-CB 3.74Å; A1245-F1253 HydrophobicContact CB-CD1 3.53Å; A1245-F1253 HydrophobicContact CB-CD2 3.91Å; A1245-F1253 HydrophobicContact CB-CE1 4.08Å; A1245-F1253 HydrophobicContact CB-CE2 4.4Å; A1245-F1253 HydrophobicContact CB-CG 3.43Å; A1245-F1253 VanDerWaalsContact CB-CG 3.43Å; A1245-F1253 HydrophobicContact CB-CZ 4.49Å |
| 1246 | N | 86.8 | Confident | 86.5 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.9 | -77.3 | -29.1 | 0 | 0 | 0 | 112.2 | V1242 E1243 L1248 G1249 | V1242-N1246 WeakPolarHBondContact O-CB 3.2Å; V1242-N1246 PolarHBondContact O-N 2.82Å; V1242-N1246 PolarHBondContact O-ND2 2.93Å; E1243-N1246 PolarHBondContact O-N 3.49Å; N1246-L1248 VanDerWaalsContact C-N 3.34Å; N1246-L1248 PolarHBondContact O-N 3.02Å; N1246-G1249 PolarHBondContact O-N 2.98Å |
| 1247 | H | 88.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 38 Ų | 38 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.4 | -178 | 77.3 | 0 | 0 | 0 | 112.5 | I1137 E1243 R1244 G1249 | I1137-H1247 PolarHBondContact O-NE2 2.91Å; I1137-H1247 VanDerWaalsContact O-NE2 3.16Å; E1243-H1247 WeakPolarHBondContact O-CB 3.37Å; E1243-H1247 PolarHBondContact O-N 3.2Å; R1244-H1247 PolarHBondContact O-N 3.28Å; H1247-G1249 PolarHBondContact O-N 3.44Å |
| 1248 | L | 87.2 | Confident | 86 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 4.2 | 173.1 | -66.4 | 170.5 | 0 | 0 | 0 | 113.6 | E1209 W1210 I1213 R1244 A1245 N1246 | E1209-L1248 HydrophobicContact CG-CD1 4.1Å; W1210-L1248 HydrophobicContact CE3-CB 4.34Å; W1210-L1248 HydrophobicContact CZ3-CB 4.3Å; W1210-L1248 WeakPolarHBondContact CZ3-O 3.4Å; I1213-L1248 HydrophobicContact CD1-CD1 3.59Å; R1244-L1248 HydrophobicContact CG-CD1 4.16Å; R1244-L1248 WeakPolarHBondContact O-CG 3.22Å; R1244-L1248 PolarHBondContact O-N 3.27Å; A1245-L1248 CarbonylContact O-C 3.6Å; A1245-L1248 PolarHBondContact O-N 3.46Å; N1246-L1248 VanDerWaalsContact C-N 3.34Å; N1246-L1248 PolarHBondContact O-N 3.02Å |
| 1249 | G | 81.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -2.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1245 N1246 H1247 R1251 | A1245-G1249 PolarHBondContact O-N 3.3Å; N1246-G1249 PolarHBondContact O-N 2.98Å; H1247-G1249 PolarHBondContact O-N 3.44Å; G1249-R1251 PolarHBondContact O-N 3.26Å |
| 1250 | R | 83.2 | Confident | 85.3 | Confident | 28 Ų | 28 | 38 Ų | 38 | 11% | 0.106 | 19% | 0.19 | C | C | . | . | trans | -81.2 | 60.8 | -178.2 | -159.9 | 176.3 | -177.1 | 146.1 | -2.7 | 111.9 | W1210 S1214 A1245 T1252 F1253 E1256 | W1210-R1250 HydrophobicContact CH2-CB 3.7Å; W1210-R1250 HydrophobicContact CH2-CG 3.86Å; W1210-R1250 HydrophobicContact CZ2-CG 4.43Å; W1210-R1250 HydrophobicContact CZ3-CB 3.82Å; W1210-R1250 HydrophobicContact CZ3-CG 4.37Å; S1214-R1250 PolarHBondContact OG-NH1 2.88Å; A1245-R1250 HydrophobicContact CB-CB 4.33Å; A1245-R1250 WeakPolarHBondContact O-CA 3.26Å; A1245-R1250 WeakPolarHBondContact O-CB 3.29Å; A1245-R1250 PolarHBondContact O-N 2.74Å; R1250-T1252 PolarHBondContact O-N 2.98Å; R1250-F1253 HydrophobicContact CB-CB 4.43Å; R1250-F1253 HydrophobicContact CG-CB 4.13Å; R1250-F1253 WeakPolarHBondContact O-CB 3.18Å; R1250-F1253 PolarHBondContact O-N 2.7Å; R1250-E1256 IonicContact CZ-OE2 3.43Å; R1250-E1256 IonicContact NE-OE1 3.06Å; R1250-E1256 IonicContact NE-OE2 3.53Å; R1250-E1256 PolarHBondContact NE-OE2 3.36Å; R1250-E1256 IonicContact NH2-OE2 3.38Å; R1250-E1256 PolarHBondContact NH2-OE2 3.39Å | ||
| 1251 | R | 73.6 | Confident | 84.1 | Confident | 214 Ų | 214 | 39 Ų | 39 | 81% | 0.808 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -18.9 | -173.6 | -63.2 | -178.6 | -177.8 | 179.5 | 0.4 | 114.8 | G1249 | G1249-R1251 PolarHBondContact O-N 3.26Š|
| 1252 | T | 72.9 | Confident | 82.4 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.9 | 177.1 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | R1250 T1254 R1255 E1256 | R1250-T1252 PolarHBondContact O-N 2.98Å; T1252-T1254 VanDerWaalsContact C-N 3.31Å; T1252-T1254 PolarHBondContact O-N 3.28Å; T1252-T1254 VanDerWaalsContact O-N 3.15Å; T1252-R1255 WeakPolarHBondContact O-CA 3.08Å; T1252-R1255 VanDerWaalsContact O-CB 3.29Å; T1252-R1255 WeakPolarHBondContact O-CB 3.29Å; T1252-R1255 PolarHBondContact O-N 3.22Å; T1252-E1256 VanDerWaalsContact C-OE1 3.3Å; T1252-E1256 VanDerWaalsContact CB-OE1 3.31Å; T1252-E1256 WeakPolarHBondContact CB-OE1 3.48Å; T1252-E1256 PolarHBondContact O-N 3.49Å; T1252-E1256 PolarHBondContact OG1-OE1 3.28Å |
| 1253 | F | 84 | Confident | 80.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -35.7 | -169.4 | 179.7 | -108.2 | 0 | 0 | 0 | 115 | I1213 V1217 L1241 V1242 A1245 R1250 E1256 L1257 | I1213-F1253 HydrophobicContact CG2-CD2 3.93Å; I1213-F1253 HydrophobicContact CG2-CE2 3.44Å; I1213-F1253 VanDerWaalsContact CG2-CE2 3.44Å; I1213-F1253 HydrophobicContact CG2-CZ 4.13Å; V1217-F1253 HydrophobicContact CG2-CD2 3.99Å; V1217-F1253 HydrophobicContact CG2-CE2 3.51Å; L1241-F1253 HydrophobicContact CD1-CZ 4.35Å; L1241-F1253 HydrophobicContact CD2-CE1 4.11Å; L1241-F1253 HydrophobicContact CD2-CZ 3.67Å; L1241-F1253 HydrophobicContact CG-CE1 3.78Å; L1241-F1253 HydrophobicContact CG-CZ 3.62Å; V1242-F1253 HydrophobicContact CB-CD1 4.4Å; V1242-F1253 HydrophobicContact CG2-CD1 3.88Å; V1242-F1253 HydrophobicContact CG2-CE1 3.84Å; A1245-F1253 HydrophobicContact CB-CB 3.74Å; A1245-F1253 HydrophobicContact CB-CD1 3.53Å; A1245-F1253 HydrophobicContact CB-CD2 3.91Å; A1245-F1253 HydrophobicContact CB-CE1 4.08Å; A1245-F1253 HydrophobicContact CB-CE2 4.4Å; A1245-F1253 HydrophobicContact CB-CG 3.43Å; A1245-F1253 VanDerWaalsContact CB-CG 3.43Å; A1245-F1253 HydrophobicContact CB-CZ 4.49Å; R1250-F1253 HydrophobicContact CB-CB 4.43Å; R1250-F1253 HydrophobicContact CG-CB 4.13Å; R1250-F1253 WeakPolarHBondContact O-CB 3.18Å; R1250-F1253 PolarHBondContact O-N 2.7Å; F1253-E1256 PolarHBondContact O-N 3.28Å; F1253-L1257 HydrophobicContact CD1-CD1 4.13Å; F1253-L1257 HydrophobicContact CD1-CG 4.5Å; F1253-L1257 HydrophobicContact CE1-CD1 3.43Å; F1253-L1257 VanDerWaalsContact CE1-CD1 3.43Å; F1253-L1257 HydrophobicContact CE1-CG 3.99Å; F1253-L1257 HydrophobicContact CE2-CD1 4.45Å; F1253-L1257 HydrophobicContact CE2-CD2 4.37Å; F1253-L1257 HydrophobicContact CE2-CG 4.18Å; F1253-L1257 HydrophobicContact CZ-CD1 3.61Å; F1253-L1257 HydrophobicContact CZ-CD2 4.06Å; F1253-L1257 HydrophobicContact CZ-CG 3.81Å; F1253-L1257 PolarHBondContact O-N 3.2Å |
| 1254 | T | 82.6 | Confident | 78.1 | Confident | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | V1242 T1252 L1257 S1258 F1366 | V1242-T1254 HydrophobicContact CG1-CG2 3.74Å; V1242-T1254 HydrophobicContact CG2-CG2 4.1Å; T1252-T1254 VanDerWaalsContact C-N 3.31Å; T1252-T1254 PolarHBondContact O-N 3.28Å; T1252-T1254 VanDerWaalsContact O-N 3.15Å; T1254-L1257 PolarHBondContact O-N 3.24Å; T1254-S1258 WeakPolarHBondContact O-CB 3.19Å; T1254-S1258 PolarHBondContact O-N 2.92Å; T1254-S1258 VanDerWaalsContact O-N 3.12Å; T1254-F1366 HydrophobicContact CG2-CB 4.22Å; T1254-F1366 HydrophobicContact CG2-CD2 3.94Å; T1254-F1366 HydrophobicContact CG2-CG 4.36Å |
| 1255 | R | 78.6 | Confident | 75.6 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 171.5 | 172.3 | -176.7 | -176.2 | 72.7 | -3.2 | 111 | T1252 S1258 A1261 D1263 W1353 | T1252-R1255 WeakPolarHBondContact O-CA 3.08Å; T1252-R1255 VanDerWaalsContact O-CB 3.29Å; T1252-R1255 WeakPolarHBondContact O-CB 3.29Å; T1252-R1255 PolarHBondContact O-N 3.22Å; R1255-S1258 WeakPolarHBondContact O-CB 3.19Å; R1255-S1258 PolarHBondContact O-N 3.22Å; R1255-S1258 PolarHBondContact O-OG 2.84Å; R1255-A1261 PolarHBondContact NH2-O 2.64Å; R1255-D1263 IonicContact CZ-OD1 3.16Å; R1255-D1263 IonicContact CZ-OD2 2.86Å; R1255-D1263 IonicContact NE-OD1 2.73Å; R1255-D1263 IonicContact NE-OD2 2.74Å; R1255-D1263 PolarHBondContact NE-OD2 3.27Å; R1255-D1263 IonicContact NH2-OD1 2.89Å; R1255-D1263 PolarHBondContact NH2-OD1 3.11Å; R1255-D1263 IonicContact NH2-OD2 2.87Å; R1255-D1263 PolarHBondContact NH2-OD2 2.73Å; R1255-W1353 VanDerWaalsContact NH2-CZ3 3.28Å |
| 1256 | E | 82.8 | Confident | 73.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -32.9 | 178 | -64.9 | 164.3 | -125.3 | 0 | 0 | 113.2 | V1217 Q1221 R1250 T1252 F1253 S1258 | V1217-E1256 HydrophobicContact CG1-CB 4.09Å; V1217-E1256 HydrophobicContact CG2-CB 4.46Å; Q1221-E1256 PolarHBondContact NE2-O 2.91Å; R1250-E1256 IonicContact CZ-OE2 3.43Å; R1250-E1256 IonicContact NE-OE1 3.06Å; R1250-E1256 IonicContact NE-OE2 3.53Å; R1250-E1256 PolarHBondContact NE-OE2 3.36Å; R1250-E1256 IonicContact NH2-OE2 3.38Å; R1250-E1256 PolarHBondContact NH2-OE2 3.39Å; T1252-E1256 VanDerWaalsContact C-OE1 3.3Å; T1252-E1256 VanDerWaalsContact CB-OE1 3.31Å; T1252-E1256 WeakPolarHBondContact CB-OE1 3.48Å; T1252-E1256 PolarHBondContact O-N 3.49Å; T1252-E1256 PolarHBondContact OG1-OE1 3.28Å; F1253-E1256 PolarHBondContact O-N 3.28Å; E1256-S1258 VanDerWaalsContact C-N 3.35Å |
| 1257 | L | 85.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.1 | -22.3 | 170.4 | -74.3 | -177.2 | 0 | 0 | 0 | 113.6 | V1217 V1220 W1238 F1253 T1254 R1371 | V1217-L1257 HydrophobicContact CG2-CD2 4.25Å; V1220-L1257 HydrophobicContact CB-CD2 4.38Å; V1220-L1257 HydrophobicContact CG1-CD2 4.38Å; V1220-L1257 HydrophobicContact CG2-CD2 4.27Å; W1238-L1257 HydrophobicContact CE3-CD1 4.12Å; W1238-L1257 HydrophobicContact CZ3-CD1 4.31Å; W1238-L1257 HydrophobicContact CZ3-CD2 4.19Å; F1253-L1257 HydrophobicContact CD1-CD1 4.13Å; F1253-L1257 HydrophobicContact CD1-CG 4.5Å; F1253-L1257 HydrophobicContact CE1-CD1 3.43Å; F1253-L1257 VanDerWaalsContact CE1-CD1 3.43Å; F1253-L1257 HydrophobicContact CE1-CG 3.99Å; F1253-L1257 HydrophobicContact CE2-CD1 4.45Å; F1253-L1257 HydrophobicContact CE2-CD2 4.37Å; F1253-L1257 HydrophobicContact CE2-CG 4.18Å; F1253-L1257 HydrophobicContact CZ-CD1 3.61Å; F1253-L1257 HydrophobicContact CZ-CD2 4.06Å; F1253-L1257 HydrophobicContact CZ-CG 3.81Å; F1253-L1257 PolarHBondContact O-N 3.2Å; T1254-L1257 PolarHBondContact O-N 3.24Å; L1257-R1371 WeakPolarHBondContact O-CD 3.42Å; L1257-R1371 PolarHBondContact O-NE 2.92Å |
| 1258 | S | 86.1 | Confident | 68.5 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.1 | -175.4 | -176.7 | 81.5 | 0 | 0 | 0 | 0 | 113.3 | T1254 R1255 E1256 L1260 P1369 R1371 | T1254-S1258 WeakPolarHBondContact O-CB 3.19Å; T1254-S1258 PolarHBondContact O-N 2.92Å; T1254-S1258 VanDerWaalsContact O-N 3.12Å; R1255-S1258 WeakPolarHBondContact O-CB 3.19Å; R1255-S1258 PolarHBondContact O-N 3.22Å; R1255-S1258 PolarHBondContact O-OG 2.84Å; E1256-S1258 VanDerWaalsContact C-N 3.35Å; S1258-L1260 WeakPolarHBondContact OG-CB 3.45Å; S1258-L1260 WeakPolarHBondContact OG-CG 3.42Å; S1258-L1260 PolarHBondContact OG-N 2.85Å; S1258-P1369 WeakPolarHBondContact CB-O 3.43Å; S1258-R1371 PolarHBondContact O-NH2 3.04Å |
| 1259 | R | 86.8 | Confident | 66.2 | Low | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -93.8 | 8.6 | 169.3 | -71.2 | -179.7 | 157.3 | 161.6 | -19.3 | 113.7 | Y45 T224 S225 M226 D1224 E1226 P1369 G1370 R1371 | Y45-R1259 HydrophobicContact CD1-CB 4.35Å; Y45-R1259 HydrophobicContact CE1-CB 4.08Å; T224-R1259 CarbonylContact C-O 3.47Å; T224-R1259 WeakPolarHBondContact CA-O 3.47Å; T224-R1259 WeakPolarHBondContact CB-O 3.41Å; S225-R1259 PolarHBondContact N-O 2.89Å; S225-R1259 WeakPolarHBondContact OG-CA 3.35Å; S225-R1259 PolarHBondContact OG-O 3.27Å; M226-R1259 HydrophobicContact CE-CB 3.95Å; M226-R1259 VanDerWaalsContact CE-CD 3.48Å; M226-R1259 HydrophobicContact CE-CG 3.54Å; M226-R1259 HydrophobicContact SD-CB 4.39Å; M226-R1259 VanDerWaalsContact SD-CD 3.57Å; M226-R1259 HydrophobicContact SD-CG 4.2Å; D1224-R1259 PolarHBondContact O-NH2 3.32Å; D1224-R1259 IonicContact OD1-CZ 2.61Å; D1224-R1259 IonicContact OD1-NE 3.27Å; D1224-R1259 PolarHBondContact OD1-NE 3.45Å; D1224-R1259 IonicContact OD1-NH2 3.51Å; D1224-R1259 IonicContact OD2-CZ 3.48Å; D1224-R1259 IonicContact OD2-NE 3.8Å; D1224-R1259 PolarHBondContact OD2-NE 3.4Å; D1224-R1259 IonicContact OD2-NH2 3.23Å; D1224-R1259 PolarHBondContact OD2-NH2 3.05Å; E1226-R1259 IonicContact OE1-CZ 3.42Å; E1226-R1259 IonicContact OE1-NH1 3.58Å; E1226-R1259 PolarHBondContact OE1-NH1 3.28Å; E1226-R1259 IonicContact OE1-NH2 3.14Å; E1226-R1259 PolarHBondContact OE1-NH2 3.48Å; R1259-P1369 PolarHBondContact N-O 3.39Å; R1259-G1370 WeakPolarHBondContact CD-O 3.38Å; R1259-G1370 PolarHBondContact NH1-O 3.38Å; R1259-R1371 HydrophobicContact CG-CG 3.98Å |
| 1260 | L | 81.5 | Confident | 64.5 | Low | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 152.1 | 172.1 | -55.5 | 178.3 | 0 | 0 | 0 | 110.9 | S1258 S1262 W1353 P1369 | S1258-L1260 WeakPolarHBondContact OG-CB 3.45Å; S1258-L1260 WeakPolarHBondContact OG-CG 3.42Å; S1258-L1260 PolarHBondContact OG-N 2.85Å; L1260-S1262 PolarHBondContact O-N 2.73Å; L1260-W1353 HydrophobicContact CD1-CH2 4.23Å; L1260-W1353 HydrophobicContact CD1-CZ2 3.75Å; L1260-P1369 HydrophobicContact CD1-CB 4.07Å; L1260-P1369 HydrophobicContact CD1-CG 4.02Å; L1260-P1369 HydrophobicContact CD2-CB 4.31Å; L1260-P1369 HydrophobicContact CG-CB 4.04Å |
| 1261 | A | 66.5 | Low | 62.6 | Low | 21 Ų | 21 | 56.3 Ų | 56.3 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 132.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | C223 R1255 I1265 | C223-A1261 PolarHBondContact O-N 2.92Å; R1255-A1261 PolarHBondContact NH2-O 2.64Å; A1261-I1265 HydrophobicContact CB-CD1 4.37Å |
| 1262 | S | 57.2 | Low | 61.1 | Low | 25 Ų | 25 | 52.7 Ų | 52.7 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 141.2 | 174.1 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | L1260 I1264 I1265 | L1260-S1262 PolarHBondContact O-N 2.73Å; S1262-I1264 PolarHBondContact O-N 3.38Å; S1262-I1265 WeakPolarHBondContact O-CD1 3.47Å; S1262-I1265 WeakPolarHBondContact O-CG1 3.39Å |
| 1263 | D | 48 | Very low | 59.6 | Low | 114 Ų | 114 | 50.6 Ų | 50.6 | 61% | 0.61 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 5.4 | -174.3 | -44.2 | -68.9 | 0 | 0 | 0 | 113.6 | R1255 | R1255-D1263 IonicContact CZ-OD1 3.16Å; R1255-D1263 IonicContact CZ-OD2 2.86Å; R1255-D1263 IonicContact NE-OD1 2.73Å; R1255-D1263 IonicContact NE-OD2 2.74Å; R1255-D1263 PolarHBondContact NE-OD2 3.27Å; R1255-D1263 IonicContact NH2-OD1 2.89Å; R1255-D1263 PolarHBondContact NH2-OD1 3.11Å; R1255-D1263 IonicContact NH2-OD2 2.87Å; R1255-D1263 PolarHBondContact NH2-OD2 2.73Å |
| 1264 | I | 44.8 | Very low | 57.7 | Low | 83 Ų | 83 | 52.6 Ų | 52.6 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.8 | -170.9 | -58.6 | 172.3 | 0 | 0 | 0 | 111.5 | S1262 N1266 C1267 | S1262-I1264 PolarHBondContact O-N 3.38Å; I1264-N1266 PolarHBondContact O-N 2.95Å; I1264-C1267 PolarHBondContact O-N 3.11Å |
| 1265 | I | 40.4 | Very low | 55.9 | Low | 81 Ų | 81 | 54 Ų | 54 | 42% | 0.415 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.4 | -170.3 | -71.1 | 169.7 | 0 | 0 | 0 | 114 | S191 A1261 S1262 C1267 | S191-I1265 VanDerWaalsContact CB-CG2 3.44Å; S191-I1265 WeakPolarHBondContact OG-CG2 3.46Å; A1261-I1265 HydrophobicContact CB-CD1 4.37Å; S1262-I1265 WeakPolarHBondContact O-CD1 3.47Å; S1262-I1265 WeakPolarHBondContact O-CG1 3.39Å; I1265-C1267 VanDerWaalsContact C-N 3.28Å; I1265-C1267 PolarHBondContact O-N 3.22Å |
| 1266 | N | 38.9 | Very low | 54.2 | Low | 156 Ų | 156 | 57 Ų | 57 | 83% | 0.834 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 29.4 | 179 | -71.7 | -5 | 0 | 0 | 0 | 114.8 | I1264 | I1264-N1266 PolarHBondContact O-N 2.95Š|
| 1267 | C | 37.9 | Very low | 52.1 | Low | 16 Ų | 16 | 57.1 Ų | 57.1 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | trans | -108 | 102.6 | 170.4 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | I1264 I1265 H1269 C1270 C1324 | I1264-C1267 PolarHBondContact O-N 3.11Å; I1265-C1267 VanDerWaalsContact C-N 3.28Å; I1265-C1267 PolarHBondContact O-N 3.22Å; C1267-H1269 PolarHBondContact O-N 3.11Å; C1267-H1269 VanDerWaalsContact O-N 3.17Å; C1267-C1270 PolarHBondContact O-N 2.88Å; C1267-C1324 WeakPolarHBondContact SG-CB 3.4Å | ||
| 1268 | P | 37.9 | Very low | 50 | Low | 102 Ų | 102 | 58 Ų | 58 | 66% | 0.662 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.7 | -29.8 | -177.8 | -26 | 35.2 | 0 | 0 | 0 | 114.5 | C1270 H1271 | P1268-C1270 PolarHBondContact O-N 2.91Å; P1268-H1271 PolarHBondContact O-N 3.29Å |
| 1269 | H | 38.2 | Very low | 48.1 | Very low | 101 Ų | 101 | 65.3 Ų | 65.3 | 47% | 0.468 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74 | -23.2 | -176.1 | -75.2 | -99.6 | 0 | 0 | 0 | 113.7 | C1267 H1271 L1321 | C1267-H1269 PolarHBondContact O-N 3.11Å; C1267-H1269 VanDerWaalsContact O-N 3.17Å; H1269-H1271 VanDerWaalsContact C-N 3.33Å; H1269-H1271 PolarHBondContact O-N 3.4Å; H1269-L1321 PolarHBondContact ND1-O 3.36Å |
| 1270 | C | 46.7 | Very low | 46.1 | Very low | 44 Ų | 44 | 68.4 Ų | 68.4 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 177.3 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | C1267 P1268 C1273 I1274 | C1267-C1270 PolarHBondContact O-N 2.88Å; P1268-C1270 PolarHBondContact O-N 2.91Å; C1270-C1273 PolarHBondContact O-N 2.82Å; C1270-I1274 PolarHBondContact O-N 3.24Å |
| 1271 | H | 43.1 | Very low | 44.2 | Very low | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | -170.8 | -156 | -56.3 | 0 | 0 | 0 | 113 | P1268 H1269 C1273 I1274 D1275 | P1268-H1271 PolarHBondContact O-N 3.29Å; H1269-H1271 VanDerWaalsContact C-N 3.33Å; H1269-H1271 PolarHBondContact O-N 3.4Å; H1271-C1273 VanDerWaalsContact C-N 3.29Å; H1271-C1273 PolarHBondContact O-N 3.46Å; H1271-I1274 WeakPolarHBondContact O-CA 3.23Å; H1271-I1274 WeakPolarHBondContact O-CB 3.49Å; H1271-I1274 PolarHBondContact O-N 2.79Å; H1271-I1274 VanDerWaalsContact O-N 3.11Å; H1271-D1275 IonicContact CE1-OD1 3.42Å; H1271-D1275 IonicContact CE1-OD2 2.75Å; H1271-D1275 PolarHBondContact CE1-OD2 3.29Å; H1271-D1275 IonicContact CG-OD2 3.57Å; H1271-D1275 IonicContact ND1-OD1 2.75Å; H1271-D1275 IonicContact ND1-OD2 3.71Å; H1271-D1275 PolarHBondContact ND1-OD2 2.95Å; H1271-D1275 PolarHBondContact O-N 3.49Å; H1271-D1275 VanDerWaalsContact O-OD2 3.11Å |
| 1272 | Q | 42.5 | Very low | 43 | Very low | 137 Ų | 137 | 72.3 Ų | 72.3 | 64% | 0.64 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.9 | -31.8 | -177.4 | -64 | -175.8 | -5.7 | 0 | 0 | 112.8 | K1276 | Q1272-K1276 PolarHBondContact O-N 2.76Å |
| 1273 | C | 40.7 | Very low | 42.1 | Very low | 21 Ų | 21 | 75.7 Ų | 75.7 | 14% | 0.142 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 111 | C1270 H1271 K1276 C1277 F1314 L1318 | C1270-C1273 PolarHBondContact O-N 2.82Å; H1271-C1273 VanDerWaalsContact C-N 3.29Å; H1271-C1273 PolarHBondContact O-N 3.46Å; C1273-K1276 PolarHBondContact O-N 3.36Å; C1273-C1277 PolarHBondContact O-N 3.09Å; C1273-F1314 HydrophobicContact CB-CZ 4.2Å; C1273-F1314 WeakPolarHBondContact O-CZ 3.45Å; C1273-L1318 HydrophobicContact CB-CD1 4.42Å; C1273-L1318 HydrophobicContact CB-CD2 3.96Å; C1273-L1318 HydrophobicContact CB-CG 4.18Å; C1273-L1318 WeakPolarHBondContact SG-CD2 3.5Å |
| 1274 | I | 45.8 | Very low | 41.3 | Very low | 42 Ų | 42 | 75.4 Ų | 75.4 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 172.6 | -78.4 | 161 | 0 | 0 | 0 | 111.3 | F194 Y1218 C1270 H1271 K1276 C1277 I1278 | F194-I1274 HydrophobicContact CD1-CG2 4.25Å; F194-I1274 HydrophobicContact CE1-CG2 3.38Å; F194-I1274 HydrophobicContact CE2-CD1 4.39Å; F194-I1274 HydrophobicContact CE2-CG2 4.4Å; F194-I1274 HydrophobicContact CZ-CB 4.38Å; F194-I1274 HydrophobicContact CZ-CD1 3.82Å; F194-I1274 HydrophobicContact CZ-CG1 4.03Å; F194-I1274 HydrophobicContact CZ-CG2 3.48Å; F194-I1274 VanDerWaalsContact CZ-CG2 3.48Å; Y1218-I1274 HydrophobicContact CE2-CG1 4.27Å; Y1218-I1274 HydrophobicContact CE2-CG2 4.49Å; C1270-I1274 PolarHBondContact O-N 3.24Å; H1271-I1274 WeakPolarHBondContact O-CA 3.23Å; H1271-I1274 WeakPolarHBondContact O-CB 3.49Å; H1271-I1274 PolarHBondContact O-N 2.79Å; H1271-I1274 VanDerWaalsContact O-N 3.11Å; I1274-K1276 VanDerWaalsContact C-N 3.31Å; I1274-K1276 PolarHBondContact O-N 3.2Å; I1274-C1277 CarbonylContact O-C 3.59Å; I1274-C1277 WeakPolarHBondContact O-CA 3.37Å; I1274-C1277 WeakPolarHBondContact O-CB 3.32Å; I1274-C1277 PolarHBondContact O-N 2.78Å; I1274-I1278 HydrophobicContact CG2-CD1 3.76Å; I1274-I1278 HydrophobicContact CG2-CG1 4.33Å; I1274-I1278 WeakPolarHBondContact O-CG1 3.35Å; I1274-I1278 PolarHBondContact O-N 2.67Å |
| 1275 | D | 43.5 | Very low | 40.7 | Very low | 67 Ų | 67 | 78.3 Ų | 78.3 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | -180 | -68.4 | -49.3 | 0 | 0 | 0 | 113.1 | H1271 | H1271-D1275 IonicContact CE1-OD1 3.42Å; H1271-D1275 IonicContact CE1-OD2 2.75Å; H1271-D1275 PolarHBondContact CE1-OD2 3.29Å; H1271-D1275 IonicContact CG-OD2 3.57Å; H1271-D1275 IonicContact ND1-OD1 2.75Å; H1271-D1275 IonicContact ND1-OD2 3.71Å; H1271-D1275 PolarHBondContact ND1-OD2 2.95Å; H1271-D1275 PolarHBondContact O-N 3.49Å; H1271-D1275 VanDerWaalsContact O-OD2 3.11Å |
| 1276 | K | 42.5 | Very low | 40.1 | Very low | 105 Ų | 105 | 79 Ų | 79 | 46% | 0.457 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 168.6 | -75.3 | -175.1 | 179.9 | -172.1 | 0 | 110.8 | Q1272 C1273 I1274 I1280 F1314 D1317 | Q1272-K1276 PolarHBondContact O-N 2.76Å; C1273-K1276 PolarHBondContact O-N 3.36Å; I1274-K1276 VanDerWaalsContact C-N 3.31Å; I1274-K1276 PolarHBondContact O-N 3.2Å; K1276-I1280 WeakPolarHBondContact O-CD1 3.42Å; K1276-I1280 WeakPolarHBondContact O-CG1 3.21Å; K1276-F1314 HydrophobicContact CB-CE2 3.96Å; K1276-F1314 HydrophobicContact CD-CE2 4.21Å; K1276-D1317 IonicContact NZ-OD2 2.74Å; K1276-D1317 PolarHBondContact NZ-OD2 2.85Å |
| 1277 | C | 39.1 | Very low | 39.6 | Very low | 10 Ų | 10 | 78.3 Ų | 78.3 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.4 | -72.5 | 0 | 0 | 0 | 0 | 114 | W1215 Y1218 C1273 I1274 K1279 I1280 I1281 F1314 | W1215-C1277 HydrophobicContact CH2-CB 4.13Å; Y1218-C1277 HydrophobicContact CE2-CB 4.39Å; C1273-C1277 PolarHBondContact O-N 3.09Å; I1274-C1277 CarbonylContact O-C 3.59Å; I1274-C1277 WeakPolarHBondContact O-CA 3.37Å; I1274-C1277 WeakPolarHBondContact O-CB 3.32Å; I1274-C1277 PolarHBondContact O-N 2.78Å; C1277-K1279 VanDerWaalsContact C-N 3.33Å; C1277-K1279 PolarHBondContact O-N 2.91Å; C1277-I1280 PolarHBondContact O-N 2.89Å; C1277-I1280 VanDerWaalsContact O-N 3.13Å; C1277-I1281 PolarHBondContact O-N 3.37Å; C1277-F1314 WeakPolarHBondContact SG-CZ 3.16Å |
| 1278 | I | 42.8 | Very low | 39 | Very low | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.087 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | -179.4 | -71.4 | 168.8 | 0 | 0 | 0 | 110.9 | F194 I1274 I1280 I1281 Q1282 | F194-I1278 HydrophobicContact CD1-CD1 4.02Å; F194-I1278 HydrophobicContact CD1-CG1 4.49Å; F194-I1278 HydrophobicContact CE1-CD1 4.25Å; I1274-I1278 HydrophobicContact CG2-CD1 3.76Å; I1274-I1278 HydrophobicContact CG2-CG1 4.33Å; I1274-I1278 WeakPolarHBondContact O-CG1 3.35Å; I1274-I1278 PolarHBondContact O-N 2.67Å; I1278-I1280 PolarHBondContact O-N 3.03Å; I1278-I1281 PolarHBondContact O-N 3.19Å; I1278-I1281 VanDerWaalsContact O-N 3.16Å; I1278-Q1282 HydrophobicContact CG2-CG 4.27Å; I1278-Q1282 WeakPolarHBondContact O-CB 3.41Å; I1278-Q1282 WeakPolarHBondContact O-CG 3.28Å; I1278-Q1282 PolarHBondContact O-N 2.77Å; I1278-Q1282 VanDerWaalsContact O-N 3.08Å |
| 1279 | K | 45.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 82 Ų | 82 | 67% | 0.674 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61 | -30.4 | 178.7 | -70.2 | -179.2 | 178.3 | 179.5 | 0 | 113.8 | C1277 | C1277-K1279 VanDerWaalsContact C-N 3.33Å; C1277-K1279 PolarHBondContact O-N 2.91Å |
| 1280 | I | 44 | Very low | 37.9 | Very low | 65 Ų | 65 | 84.7 Ų | 84.7 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.8 | -31.1 | 179.7 | -62.5 | 159.1 | 0 | 0 | 0 | 111.5 | K1276 C1277 I1278 T1283 F1309 | K1276-I1280 WeakPolarHBondContact O-CD1 3.42Å; K1276-I1280 WeakPolarHBondContact O-CG1 3.21Å; C1277-I1280 PolarHBondContact O-N 2.89Å; C1277-I1280 VanDerWaalsContact O-N 3.13Å; I1278-I1280 PolarHBondContact O-N 3.03Å; I1280-T1283 PolarHBondContact O-OG1 3.24Å; I1280-T1283 VanDerWaalsContact O-OG1 3.13Å; I1280-F1309 HydrophobicContact CB-CZ 4.35Å; I1280-F1309 HydrophobicContact CD1-CD1 4.45Å; I1280-F1309 HydrophobicContact CD1-CE1 3.44Å; I1280-F1309 VanDerWaalsContact CD1-CE1 3.44Å; I1280-F1309 HydrophobicContact CD1-CE2 4.26Å; I1280-F1309 HydrophobicContact CD1-CZ 3.32Å; I1280-F1309 HydrophobicContact CG1-CE1 4.23Å; I1280-F1309 HydrophobicContact CG1-CE2 4.19Å; I1280-F1309 HydrophobicContact CG1-CZ 3.59Å; I1280-F1309 HydrophobicContact CG2-CD2 4.14Å; I1280-F1309 HydrophobicContact CG2-CE1 4.5Å; I1280-F1309 HydrophobicContact CG2-CE2 3.55Å; I1280-F1309 HydrophobicContact CG2-CZ 3.78Å |
| 1281 | I | 41.9 | Very low | 36.9 | Very low | 21 Ų | 21 | 89 Ų | 89 | 11% | 0.108 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -81.8 | -29.6 | 179 | -61.5 | 171.8 | 0 | 0 | 0 | 111.1 | L197 Y1218 C1277 I1278 | L197-I1281 HydrophobicContact CD1-CB 4.18Å; L197-I1281 HydrophobicContact CD1-CG2 3.55Å; L197-I1281 HydrophobicContact CD2-CG2 4.4Å; Y1218-I1281 HydrophobicContact CE1-CD1 3.59Å; C1277-I1281 PolarHBondContact O-N 3.37Å; I1278-I1281 PolarHBondContact O-N 3.19Å; I1278-I1281 VanDerWaalsContact O-N 3.16Å |
| 1282 | Q | 41 | Very low | 36 | Very low | 91 Ų | 91 | 90.7 Ų | 90.7 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.4 | -19.3 | -177.1 | -78.3 | 177.1 | -14.9 | 0 | 0 | 115.6 | L197 I1278 P1284 | L197-Q1282 HydrophobicContact CD1-CG 4.46Å; L197-Q1282 HydrophobicContact CD2-CG 3.67Å; L197-Q1282 HydrophobicContact CG-CG 4.05Å; I1278-Q1282 HydrophobicContact CG2-CG 4.27Å; I1278-Q1282 WeakPolarHBondContact O-CB 3.41Å; I1278-Q1282 WeakPolarHBondContact O-CG 3.28Å; I1278-Q1282 PolarHBondContact O-N 2.77Å; I1278-Q1282 VanDerWaalsContact O-N 3.08Å; Q1282-P1284 WeakPolarHBondContact O-CD 3.46Å |
| 1283 | T | 40.1 | Very low | 35.2 | Very low | 96 Ų | 96 | 89 Ų | 89 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | trans | -62.3 | 115.5 | 177.6 | 31.1 | 0 | 0 | 0 | 0 | 111.9 | I1280 | I1280-T1283 PolarHBondContact O-OG1 3.24Å; I1280-T1283 VanDerWaalsContact O-OG1 3.13Å | ||
| 1284 | P | 31.2 | Very low | 34.5 | Very low | 108 Ų | 108 | 94.5 Ų | 94.5 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | trans | -76.7 | 132.2 | 179.1 | -11.8 | 29 | 0 | 0 | 0 | 110.7 | Q1282 T1286 | Q1282-P1284 WeakPolarHBondContact O-CD 3.46Å; P1284-T1286 VanDerWaalsContact C-N 3.25Å; P1284-T1286 PolarHBondContact O-N 3.43Å | ||
| 1285 | L | 31.2 | Very low | 33.5 | Very low | 144 Ų | 144 | 101 Ų | 101 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | trans | -78.8 | 76 | 168.6 | -77.6 | 168.6 | 0 | 0 | 0 | 110 | T1287 | L1285-T1287 PolarHBondContact O-N 2.71Š| ||
| 1286 | T | 27.3 | Very low | 32.6 | Very low | 94 Ų | 94 | 106 Ų | 106 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | trans | -64.3 | 127.5 | 167.6 | 47.9 | 0 | 0 | 0 | 0 | 109.6 | P1284 S1288 | P1284-T1286 VanDerWaalsContact C-N 3.25Å; P1284-T1286 PolarHBondContact O-N 3.43Å; T1286-S1288 PolarHBondContact O-N 3.4Å | ||
| 1287 | T | 28.3 | Very low | 31.7 | Very low | 143 Ų | 143 | 105.6 Ų | 105.6 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 10 | -171.6 | 42.3 | 0 | 0 | 0 | 0 | 114.8 | L1285 | L1285-T1287 PolarHBondContact O-N 2.71Š|
| 1288 | S | 26.7 | Very low | 31 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -7.7 | -170.5 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | T1286 | T1286-S1288 PolarHBondContact O-N 3.4Š|
| 1289 | S | 26.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -99.1 | 22.7 | -169.5 | 60.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1290 | L | 26.8 | Very low | 29.3 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -116.5 | 11 | -167.1 | -105.9 | 165.8 | 0 | 0 | 0 | 116.3 | ||
| 1291 | T | 25.2 | Very low | 28.4 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 83% | 0.828 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -123.9 | 1.7 | -170.5 | 46.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1292 | A | 24.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -127.6 | 75 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1293 | A | 25.5 | Very low | 26.8 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -154.5 | 61.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1294 | T | 25.1 | Very low | 26.2 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -85.9 | 128.7 | 174.2 | 26.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1295 | M | 24.1 | Very low | 26.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | 44 | 101.4 | 157.8 | -62.5 | -170.6 | 176.6 | 0 | 0 | 118.6 | ||||
| 1296 | N | 25.7 | Very low | 26.2 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | -148.3 | 139 | 121 | -107.9 | -37 | 0 | 0 | 0 | 110.7 | |||||
| 1297 | S | 24.4 | Very low | 26.5 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -96.2 | 165 | 174.2 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1298 | N | 24.1 | Very low | 26.8 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 75.9 | 75.1 | 176.3 | -46.9 | -32.4 | 0 | 0 | 0 | 116.3 | ||||
| 1299 | I | 26.6 | Very low | 27.4 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | -142.2 | 143.7 | 122.5 | -97.1 | 147.8 | 0 | 0 | 0 | 106.9 | |||||
| 1300 | V | 25.5 | Very low | 28 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | trans | -108.2 | 152.4 | -177.3 | 168.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1301 | T | 25.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 72 | 136.8 | 176.5 | 36.9 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1302 | E | 25.4 | Very low | 29 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | 70.3 | 140.9 | 171.1 | -73.7 | -158.8 | -148.5 | 0 | 0 | 121.3 | ||||
| 1303 | R | 24.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 73% | 0.725 | 69% | 0.685 | S | S | * | * | trans | 48.8 | 98.3 | 158.6 | -60.5 | 168.3 | -153.3 | -128 | -1.2 | 118 | ||||
| 1304 | N | 25.8 | Very low | 30 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 92% | 0.92 | 65% | 0.653 | S | S | * | * | -176.6 | 128.3 | 121.4 | -94.5 | -33.2 | 0 | 0 | 0 | 112.8 | |||||
| 1305 | S | 31.3 | Very low | 30.5 | Very low | 50 Ų | 50 | 121.2 Ų | 121.2 | 35% | 0.35 | 62% | 0.62 | S | S | . | * | trans | -149.2 | 137.3 | 153.9 | 71.1 | 0 | 0 | 0 | 0 | 109.3 | W1307 | S1305-W1307 PolarHBondContact O-N 3.02Š| ||
| 1306 | P | 32.3 | Very low | 31 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 8.1 | -173.3 | -22.7 | 35 | 0 | 0 | 0 | 116.4 | ||
| 1307 | W | 33.5 | Very low | 31.4 | Very low | 167 Ų | 167 | 110.1 Ų | 110.1 | 63% | 0.633 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 7.2 | -164.7 | -55.7 | 100 | 0 | 0 | 0 | 113.6 | I1200 S1305 | I1200-W1307 HydrophobicContact CG2-CH2 4.36Å; I1200-W1307 HydrophobicContact CG2-CZ3 4.38Å; S1305-W1307 PolarHBondContact O-N 3.02Å |
| 1308 | H | 34.1 | Very low | 31.8 | Very low | 98 Ų | 98 | 108.1 Ų | 108.1 | 45% | 0.454 | 55% | 0.551 | S | S | . | * | trans | -106.6 | 102.2 | 178.3 | -93.4 | -50.7 | 0 | 0 | 0 | 112.2 | T1185 | T1185-H1308 VanDerWaalsContact CG2-NE2 3.34Å; T1185-H1308 WeakPolarHBondContact CG2-NE2 3.47Å | ||
| 1309 | F | 40.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 106.4 Ų | 106.4 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | trans | -91.7 | 109.8 | 153.2 | -114.9 | -84.4 | 0 | 0 | 0 | 108.9 | I1280 | I1280-F1309 HydrophobicContact CB-CZ 4.35Å; I1280-F1309 HydrophobicContact CD1-CD1 4.45Å; I1280-F1309 HydrophobicContact CD1-CE1 3.44Å; I1280-F1309 VanDerWaalsContact CD1-CE1 3.44Å; I1280-F1309 HydrophobicContact CD1-CE2 4.26Å; I1280-F1309 HydrophobicContact CD1-CZ 3.32Å; I1280-F1309 HydrophobicContact CG1-CE1 4.23Å; I1280-F1309 HydrophobicContact CG1-CE2 4.19Å; I1280-F1309 HydrophobicContact CG1-CZ 3.59Å; I1280-F1309 HydrophobicContact CG2-CD2 4.14Å; I1280-F1309 HydrophobicContact CG2-CE1 4.5Å; I1280-F1309 HydrophobicContact CG2-CE2 3.55Å; I1280-F1309 HydrophobicContact CG2-CZ 3.78Å | ||
| 1310 | N | 38.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | trans | -94.7 | 117 | 173.9 | -177.2 | 3 | 0 | 0 | 0 | 109.5 | Q1312 | N1310-Q1312 PolarHBondContact ND2-OE1 2.65Å; N1310-Q1312 PolarHBondContact O-N 3.2Å; N1310-Q1312 WeakPolarHBondContact OD1-CB 3.1Å; N1310-Q1312 WeakPolarHBondContact OD1-CG 3.24Å; N1310-Q1312 PolarHBondContact OD1-N 3.08Å | ||
| 1311 | T | 39.4 | Very low | 33.2 | Very low | 20 Ų | 20 | 103.2 Ų | 103.2 | 12% | 0.123 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.8 | 178.2 | 40.4 | 0 | 0 | 0 | 0 | 114.7 | W1205 E1313 F1314 V1315 | W1205-T1311 WeakPolarHBondContact O-CG2 3.11Å; T1311-E1313 PolarHBondContact O-N 3.32Å; T1311-F1314 CarbonylContact O-C 3.56Å; T1311-F1314 WeakPolarHBondContact O-CA 3.48Å; T1311-F1314 WeakPolarHBondContact O-CB 3.17Å; T1311-F1314 PolarHBondContact O-N 3.27Å; T1311-V1315 WeakPolarHBondContact O-CB 3.34Å; T1311-V1315 VanDerWaalsContact O-CG2 3.25Å; T1311-V1315 WeakPolarHBondContact O-CG2 3.29Å; T1311-V1315 PolarHBondContact O-N 3.49Å |
| 1312 | Q | 33.9 | Very low | 33.7 | Very low | 140 Ų | 140 | 98.1 Ų | 98.1 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | -178.8 | -72.8 | 176.4 | -44 | 0 | 0 | 113.3 | N1310 F1314 V1315 S1316 | N1310-Q1312 PolarHBondContact ND2-OE1 2.65Å; N1310-Q1312 PolarHBondContact O-N 3.2Å; N1310-Q1312 WeakPolarHBondContact OD1-CB 3.1Å; N1310-Q1312 WeakPolarHBondContact OD1-CG 3.24Å; N1310-Q1312 PolarHBondContact OD1-N 3.08Å; Q1312-F1314 PolarHBondContact O-N 2.79Å; Q1312-V1315 PolarHBondContact O-N 3.11Å; Q1312-S1316 PolarHBondContact O-N 3.39Å; Q1312-S1316 VanDerWaalsContact O-N 3.16Å; Q1312-S1316 PolarHBondContact O-OG 2.98Å |
| 1313 | E | 36.8 | Very low | 34.3 | Very low | 150 Ų | 150 | 97 Ų | 97 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.9 | -15.5 | 173.7 | -66.3 | -179.6 | 159.2 | 0 | 0 | 112.9 | T1311 | T1311-E1313 PolarHBondContact O-N 3.32Å |
| 1314 | F | 34.2 | Very low | 34.9 | Very low | 40 Ų | 40 | 88.7 Ų | 88.7 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -94 | -28.8 | 178.4 | -163.3 | -111.4 | 0 | 0 | 0 | 112.4 | C1273 K1276 C1277 T1311 Q1312 L1318 | C1273-F1314 HydrophobicContact CB-CZ 4.2Å; C1273-F1314 WeakPolarHBondContact O-CZ 3.45Å; K1276-F1314 HydrophobicContact CB-CE2 3.96Å; K1276-F1314 HydrophobicContact CD-CE2 4.21Å; C1277-F1314 WeakPolarHBondContact SG-CZ 3.16Å; T1311-F1314 CarbonylContact O-C 3.56Å; T1311-F1314 WeakPolarHBondContact O-CA 3.48Å; T1311-F1314 WeakPolarHBondContact O-CB 3.17Å; T1311-F1314 PolarHBondContact O-N 3.27Å; Q1312-F1314 PolarHBondContact O-N 2.79Å; F1314-L1318 HydrophobicContact CD1-CD1 3.63Å; F1314-L1318 HydrophobicContact CE1-CD1 3.41Å; F1314-L1318 VanDerWaalsContact CE1-CD1 3.41Å; F1314-L1318 HydrophobicContact CZ-CD1 4.15Å; F1314-L1318 WeakPolarHBondContact O-CB 3.2Å; F1314-L1318 PolarHBondContact O-N 2.72Å; F1314-L1318 VanDerWaalsContact O-N 3.09Å |
| 1315 | V | 33.8 | Very low | 35.4 | Very low | 25 Ų | 25 | 87.2 Ų | 87.2 | 15% | 0.152 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -92.5 | -25.8 | -175.3 | 172.2 | 0 | 0 | 0 | 0 | 112.5 | T1311 Q1312 N1319 | T1311-V1315 WeakPolarHBondContact O-CB 3.34Å; T1311-V1315 VanDerWaalsContact O-CG2 3.25Å; T1311-V1315 WeakPolarHBondContact O-CG2 3.29Å; T1311-V1315 PolarHBondContact O-N 3.49Å; Q1312-V1315 PolarHBondContact O-N 3.11Å; V1315-N1319 WeakPolarHBondContact O-CB 3.02Å; V1315-N1319 PolarHBondContact O-N 2.77Å |
| 1316 | S | 36.3 | Very low | 35.7 | Very low | 62 Ų | 62 | 88.1 Ų | 88.1 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 164.1 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | Q1312 D1320 | Q1312-S1316 PolarHBondContact O-N 3.39Å; Q1312-S1316 VanDerWaalsContact O-N 3.16Å; Q1312-S1316 PolarHBondContact O-OG 2.98Å; S1316-D1320 PolarHBondContact O-N 2.82Å |
| 1317 | D | 33.3 | Very low | 35.9 | Very low | 56 Ų | 56 | 85 Ų | 85 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.1 | -52.4 | 174.5 | -83.2 | 22.1 | 0 | 0 | 0 | 111.4 | K1276 N1319 D1320 L1321 | K1276-D1317 IonicContact NZ-OD2 2.74Å; K1276-D1317 PolarHBondContact NZ-OD2 2.85Å; D1317-N1319 PolarHBondContact O-N 2.99Å; D1317-D1320 PolarHBondContact O-N 3.25Å; D1317-L1321 HydrophobicContact CB-CD1 4.12Å; D1317-L1321 WeakPolarHBondContact O-CB 3.22Å; D1317-L1321 WeakPolarHBondContact O-CD1 3.42Å; D1317-L1321 WeakPolarHBondContact O-CG 3.14Å; D1317-L1321 PolarHBondContact O-N 2.79Å |
| 1318 | L | 32.3 | Very low | 36 | Very low | 54 Ų | 54 | 80.8 Ų | 80.8 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | -174.1 | -101.5 | 163 | 0 | 0 | 0 | 114.6 | C1273 F1314 C1322 | C1273-L1318 HydrophobicContact CB-CD1 4.42Å; C1273-L1318 HydrophobicContact CB-CD2 3.96Å; C1273-L1318 HydrophobicContact CB-CG 4.18Å; C1273-L1318 WeakPolarHBondContact SG-CD2 3.5Å; F1314-L1318 HydrophobicContact CD1-CD1 3.63Å; F1314-L1318 HydrophobicContact CE1-CD1 3.41Å; F1314-L1318 VanDerWaalsContact CE1-CD1 3.41Å; F1314-L1318 HydrophobicContact CZ-CD1 4.15Å; F1314-L1318 WeakPolarHBondContact O-CB 3.2Å; F1314-L1318 PolarHBondContact O-N 2.72Å; F1314-L1318 VanDerWaalsContact O-N 3.09Å; L1318-C1322 WeakPolarHBondContact O-CB 3.37Å |
| 1319 | N | 35.5 | Very low | 36 | Very low | 111 Ų | 111 | 82.9 Ų | 82.9 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -76.7 | -36.9 | -178.9 | -75.1 | -12.2 | 0 | 0 | 0 | 112.1 | V1315 D1317 | V1315-N1319 WeakPolarHBondContact O-CB 3.02Å; V1315-N1319 PolarHBondContact O-N 2.77Å; D1317-N1319 PolarHBondContact O-N 2.99Å |
| 1320 | D | 36.1 | Very low | 35.6 | Very low | 135 Ų | 135 | 85 Ų | 85 | 72% | 0.722 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -86.9 | -19.1 | -178.5 | -68.5 | -23.4 | 0 | 0 | 0 | 113.2 | S1316 D1317 | S1316-D1320 PolarHBondContact O-N 2.82Å; D1317-D1320 PolarHBondContact O-N 3.25Å |
| 1321 | L | 34 | Very low | 35.1 | Very low | 91 Ų | 91 | 85.7 Ų | 85.7 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -96.6 | -3.1 | -179.9 | -66 | 169.8 | 0 | 0 | 0 | 115.3 | H1269 D1317 | H1269-L1321 PolarHBondContact ND1-O 3.36Å; D1317-L1321 HydrophobicContact CB-CD1 4.12Å; D1317-L1321 WeakPolarHBondContact O-CB 3.22Å; D1317-L1321 WeakPolarHBondContact O-CD1 3.42Å; D1317-L1321 WeakPolarHBondContact O-CG 3.14Å; D1317-L1321 PolarHBondContact O-N 2.79Å |
| 1322 | C | 36.7 | Very low | 34.4 | Very low | 21 Ų | 21 | 90.3 Ų | 90.3 | 14% | 0.142 | 50% | 0.496 | C | S | . | . | trans | -123.1 | 69.6 | -172.7 | -159.8 | 0 | 0 | 0 | 0 | 114.7 | L1318 C1324 | L1318-C1322 WeakPolarHBondContact O-CB 3.37Å; C1322-C1324 PolarHBondContact O-N 3.19Å | ||
| 1323 | N | 36.8 | Very low | 34 | Very low | 124 Ų | 124 | 89 Ų | 89 | 66% | 0.663 | 50% | 0.498 | S | S | * | . | trans | -73.2 | 38.2 | 167.8 | -77.9 | -35 | 0 | 0 | 0 | 113.1 | ||||
| 1324 | C | 38.8 | Very low | 33.6 | Very low | 18 Ų | 18 | 90 Ų | 90 | 12% | 0.122 | 51% | 0.506 | C | S | . | . | trans | -79.8 | 139.5 | 179.5 | 94.7 | 0 | 0 | 0 | 0 | 111.3 | C1267 C1322 C1326 N1327 | C1267-C1324 WeakPolarHBondContact SG-CB 3.4Å; C1322-C1324 PolarHBondContact O-N 3.19Å; C1324-C1326 WeakPolarHBondContact CB-SG 3.42Å; C1324-C1326 PolarHBondContact O-N 3.44Å; C1324-C1326 WeakPolarHBondContact SG-CB 3.45Å; C1324-C1326 PolarHBondContact SG-N 2.69Å; C1324-C1326 VanDerWaalsContact SG-N 3.39Å; C1324-C1326 CovalentContact SG-SG 2.05Å; C1324-C1326 PolarHBondContact SG-SG 2.77Å; C1324-N1327 PolarHBondContact O-N 2.73Å | ||
| 1325 | P | 35.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 94.1 Ų | 94.1 | 92% | 0.916 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.3 | 173.5 | -24.7 | 35 | 0 | 0 | 0 | 115 | ||
| 1326 | C | 37.5 | Very low | 32.7 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6.3 | 177.8 | 18.9 | 0 | 0 | 0 | 0 | 114.7 | C1324 P1328 | C1324-C1326 WeakPolarHBondContact CB-SG 3.42Å; C1324-C1326 PolarHBondContact O-N 3.44Å; C1324-C1326 WeakPolarHBondContact SG-CB 3.45Å; C1324-C1326 PolarHBondContact SG-N 2.69Å; C1324-C1326 VanDerWaalsContact SG-N 3.39Å; C1324-C1326 CovalentContact SG-SG 2.05Å; C1324-C1326 PolarHBondContact SG-SG 2.77Å; C1326-P1328 WeakPolarHBondContact O-CD 3.18Å |
| 1327 | N | 37.1 | Very low | 32.3 | Very low | 60 Ų | 60 | 107.7 Ų | 107.7 | 32% | 0.321 | 59% | 0.592 | S | S | . | * | trans | -88.6 | 112.5 | 179 | -172.7 | -8.9 | 0 | 0 | 0 | 111.7 | C1324 L1329 Y1330 | C1324-N1327 PolarHBondContact O-N 2.73Å; N1327-L1329 PolarHBondContact O-N 3.16Å; N1327-L1329 VanDerWaalsContact O-N 3.11Å; N1327-L1329 PolarHBondContact OD1-N 3.02Å; N1327-Y1330 PolarHBondContact O-N 3.02Å | ||
| 1328 | P | 35.7 | Very low | 31.8 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -62.5 | -22.8 | -175.9 | -22.8 | 34.7 | 0 | 0 | 0 | 114.6 | C1326 Y1330 S1331 | C1326-P1328 WeakPolarHBondContact O-CD 3.18Å; P1328-Y1330 PolarHBondContact O-N 2.88Å; P1328-S1331 PolarHBondContact O-OG 2.71Å |
| 1329 | L | 33.4 | Very low | 31.5 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -71.9 | -12 | -176.4 | -66.8 | 170.5 | 0 | 0 | 0 | 113.7 | N1327 S1331 T1332 | N1327-L1329 PolarHBondContact O-N 3.16Å; N1327-L1329 VanDerWaalsContact O-N 3.11Å; N1327-L1329 PolarHBondContact OD1-N 3.02Å; L1329-S1331 VanDerWaalsContact C-N 3.28Å; L1329-S1331 PolarHBondContact O-N 2.95Å; L1329-T1332 PolarHBondContact O-OG1 3.27Å |
| 1330 | Y | 32.3 | Very low | 31.2 | Very low | 164 Ų | 164 | 117.9 Ų | 117.9 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -85.3 | 11.8 | 179.7 | -115.9 | -76 | 0 | 0 | 0 | 114.7 | N1327 P1328 | N1327-Y1330 PolarHBondContact O-N 3.02Å; P1328-Y1330 PolarHBondContact O-N 2.88Å |
| 1331 | S | 27.6 | Very low | 30.7 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -100.4 | 2 | -176.2 | 62.3 | 0 | 0 | 0 | 0 | 115.5 | P1328 L1329 | P1328-S1331 PolarHBondContact O-OG 2.71Å; L1329-S1331 VanDerWaalsContact C-N 3.28Å; L1329-S1331 PolarHBondContact O-N 2.95Å |
| 1332 | T | 25.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 120 Ų | 120 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -104 | 6.4 | -167.6 | 48.9 | 0 | 0 | 0 | 0 | 115.8 | L1329 | L1329-T1332 PolarHBondContact O-OG1 3.27Š|
| 1333 | T | 24.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -135.8 | 47.1 | -174.3 | 42.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1334 | I | 28.4 | Very low | 29.4 | Very low | 170 Ų | 170 | 127 Ų | 127 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | -118 | 118.4 | 155.2 | -61.6 | -176.7 | 0 | 0 | 0 | 109.3 | ||||
| 1335 | T | 25 | Very low | 28.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -85.4 | 153.7 | 179.7 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | K1337 | T1335-K1337 PolarHBondContact O-N 3.29Š| ||
| 1336 | N | 25.2 | Very low | 28.3 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -20.6 | 113.9 | 173.1 | -63.6 | -17.1 | 0 | 0 | 0 | 116.4 | ||||
| 1337 | K | 27.5 | Very low | 27.7 | Very low | 211 Ų | 211 | 136.4 Ų | 136.4 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -158.7 | 154.4 | 143.7 | -110.6 | 156.8 | -171.9 | 178.8 | 0 | 111.9 | T1335 | T1335-K1337 PolarHBondContact O-N 3.29Š| ||
| 1338 | Q | 23.6 | Very low | 27.2 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -98 | 164.7 | -177.3 | -61.4 | 156.1 | -65.6 | 0 | 0 | 110.1 | ||||
| 1339 | S | 25.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 61.8 | 141.9 | 170.4 | 36.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1340 | D | 28.6 | Very low | 26.3 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -153.3 | -178.2 | 23.5 | -127.2 | -39.9 | 0 | 0 | 0 | 114 | ||||
| 1341 | H | 26 | Very low | 26 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 143.8 | -174.8 | -72.6 | -92.3 | 0 | 0 | 0 | 116.4 | ||||
| 1342 | A | 29.2 | Very low | 26.1 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -142.3 | 99.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1343 | N | 25.5 | Very low | 26.5 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -85.7 | 121.6 | 168.9 | -83.7 | -18.6 | 0 | 0 | 0 | 109.8 | ||||
| 1344 | N | 26.1 | Very low | 26.8 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -162 | 118.2 | 144.7 | -110.9 | -17.2 | 0 | 0 | 0 | 114 | N1346 | N1344-N1346 PolarHBondContact O-N 2.87Š| ||
| 1345 | T | 23.9 | Very low | 27.2 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 31.2 | 84.9 | 140 | 60.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1346 | N | 27.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -140.9 | 61.3 | 154.5 | -115.7 | -37.9 | 0 | 0 | 0 | 111.3 | N1344 N1348 | N1344-N1346 PolarHBondContact O-N 2.87Å; N1346-N1348 PolarHBondContact O-N 2.69Å | ||
| 1347 | I | 25.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -73.2 | 98.5 | 163.5 | -59 | 168 | 0 | 0 | 0 | 106.5 | ||||
| 1348 | N | 24.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -164.1 | 115.1 | 168.8 | -95.1 | -37.2 | 0 | 0 | 0 | 113 | N1346 R1350 | N1346-N1348 PolarHBondContact O-N 2.69Å; N1348-R1350 PolarHBondContact O-N 2.76Å | ||
| 1349 | Y | 27.2 | Very low | 29 | Very low | 210 Ų | 210 | 132.8 Ų | 132.8 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 44.8 | 50.4 | 150.5 | -55.4 | -78.9 | 0 | 0 | 0 | 119.5 | ||
| 1350 | R | 24.6 | Very low | 29.6 | Very low | 230 Ų | 230 | 129.8 Ų | 129.8 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | trans | -134.6 | 149.3 | 162 | -69.1 | -175.1 | 173.1 | 174.8 | -2.6 | 110.8 | N1348 | N1348-R1350 PolarHBondContact O-N 2.76Š| ||
| 1351 | L | 26.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | 72.8 | 44.7 | 173.9 | -53.4 | 172.7 | 0 | 0 | 0 | 117.7 | ||||
| 1352 | I | 29.3 | Very low | 31.6 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 81% | 0.81 | 65% | 0.651 | S | S | * | * | trans | -124.3 | 89.8 | 156.5 | -58.5 | -178.5 | 0 | 0 | 0 | 108.6 | P1354 | I1352-P1354 VanDerWaalsContact C-CD 3.43Å; I1352-P1354 HydrophobicContact CG2-CG 4.15Å | ||
| 1353 | W | 34.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | trans | -129.6 | 67.4 | 165.6 | -160.5 | -53.9 | 0 | 0 | 0 | 109.9 | R1255 L1260 C1355 | R1255-W1353 VanDerWaalsContact NH2-CZ3 3.28Å; L1260-W1353 HydrophobicContact CD1-CH2 4.23Å; L1260-W1353 HydrophobicContact CD1-CZ2 3.75Å; W1353-C1355 PolarHBondContact NE1-SG 2.89Å; W1353-C1355 PolarHBondContact O-N 2.74Å | ||
| 1354 | P | 30.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 112.2 Ų | 112.2 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | trans | -73.9 | 80.3 | 166.6 | 33.2 | -33.5 | 0 | 0 | 0 | 108.9 | I1352 D1356 | I1352-P1354 VanDerWaalsContact C-CD 3.43Å; I1352-P1354 HydrophobicContact CG2-CG 4.15Å; P1354-D1356 PolarHBondContact O-N 2.68Å | ||
| 1355 | C | 36.1 | Very low | 36.4 | Very low | 74 Ų | 74 | 108.6 Ų | 108.6 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | trans | -79.1 | 79.7 | 143.4 | -78.7 | 0 | 0 | 0 | 0 | 105.8 | W1353 | W1353-C1355 PolarHBondContact NE1-SG 2.89Å; W1353-C1355 PolarHBondContact O-N 2.74Å | ||
| 1356 | D | 35 | Very low | 39.1 | Very low | 110 Ų | 110 | 104 Ų | 104 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | trans | -54.6 | 148.1 | 170 | -74.3 | -48 | 0 | 0 | 0 | 109.5 | P1354 S1358 A1359 | P1354-D1356 PolarHBondContact O-N 2.68Å; D1356-S1358 PolarHBondContact O-N 3.07Å; D1356-A1359 PolarHBondContact O-N 2.92Å | ||
| 1357 | S | 35.6 | Very low | 41.5 | Very low | 138 Ų | 138 | 99.5 Ų | 99.5 | 97% | 0.965 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -3.8 | -165.9 | -47.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1358 | S | 33.7 | Very low | 44.4 | Very low | 95 Ų | 95 | 91.7 Ų | 91.7 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -9.7 | -179.5 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | D1356 | D1356-S1358 PolarHBondContact O-N 3.07Š|
| 1359 | A | 35.4 | Very low | 47.1 | Very low | 32 Ų | 32 | 88 Ų | 88 | 26% | 0.264 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -98.5 | -25.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D1356 R1361 | D1356-A1359 PolarHBondContact O-N 2.92Å; A1359-R1361 PolarHBondContact O-N 3.29Å |
| 1360 | G | 37.7 | Very low | 49.8 | Very low | 46 Ų | 46 | 78 Ų | 78 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | trans | -90.2 | 79.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1362 | G1360-T1362 VanDerWaalsContact C-N 3.3Å; G1360-T1362 PolarHBondContact O-N 3.37Å | ||
| 1361 | R | 49.7 | Very low | 52.8 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | trans | -76.1 | 45.8 | -168.2 | -59.3 | -175.7 | -178.7 | -179.4 | -1.3 | 117.4 | A1359 | A1359-R1361 PolarHBondContact O-N 3.29Š| ||
| 1362 | T | 45.9 | Very low | 55.8 | Low | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | trans | -83.1 | -12.2 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 114 | G1360 G1364 F1366 A1367 C1368 R1371 Y1462 | G1360-T1362 VanDerWaalsContact C-N 3.3Å; G1360-T1362 PolarHBondContact O-N 3.37Å; T1362-G1364 PolarHBondContact O-N 3.29Å; T1362-F1366 PolarHBondContact OG1-O 2.67Å; T1362-A1367 WeakPolarHBondContact OG1-CA 3.38Å; T1362-C1368 PolarHBondContact OG1-N 2.9Å; T1362-R1371 WeakPolarHBondContact CG2-O 3.36Å; T1362-Y1462 VanDerWaalsContact C-CE1 3.45Å; T1362-Y1462 VanDerWaalsContact O-CE1 3.23Å; T1362-Y1462 WeakPolarHBondContact O-CE1 3.38Å; T1362-Y1462 PolarHBondContact O-OH 3.49Å | ||
| 1363 | G | 51.4 | Low | 58.6 | Low | 59 Ų | 59 | 51.4 Ų | 51.4 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | trans | 57.1 | -13.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | Y1462 | G1363-Y1462 WeakPolarHBondContact CA-OH 3.39Š| ||
| 1364 | G | 60.3 | Low | 61.1 | Low | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -67.9 | 173.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1362 F1366 | T1362-G1364 PolarHBondContact O-N 3.29Å; G1364-F1366 PolarHBondContact O-N 2.94Å |
| 1365 | P | 70.9 | Confident | 63.8 | Low | 69 Ų | 69 | 42.3 Ų | 42.3 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -67.7 | -2.1 | -168.7 | 26.8 | -35.9 | 0 | 0 | 0 | 115.6 | I1233 E1234 | I1233-P1365 HydrophobicContact CB-CG 4.37Å; I1233-P1365 HydrophobicContact CG2-CG 3.63Å; E1234-P1365 HydrophobicContact CG-CB 4.11Å; E1234-P1365 HydrophobicContact CG-CG 4.11Å |
| 1366 | F | 81.1 | Confident | 66.4 | Low | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -148.4 | 153 | 169.5 | 60.7 | -88.7 | 0 | 0 | 0 | 111.1 | I1233 W1238 V1242 T1254 T1362 G1364 C1368 V1373 | I1233-F1366 HydrophobicContact CG2-CE1 4.09Å; W1238-F1366 HydrophobicContact CB-CE1 3.71Å; W1238-F1366 HydrophobicContact CB-CZ 3.75Å; V1242-F1366 HydrophobicContact CG2-CD1 4Å; V1242-F1366 HydrophobicContact CG2-CD2 4.13Å; V1242-F1366 HydrophobicContact CG2-CE1 4.05Å; V1242-F1366 HydrophobicContact CG2-CE2 4.16Å; V1242-F1366 HydrophobicContact CG2-CG 4.06Å; V1242-F1366 HydrophobicContact CG2-CZ 4.13Å; T1254-F1366 HydrophobicContact CG2-CB 4.22Å; T1254-F1366 HydrophobicContact CG2-CD2 3.94Å; T1254-F1366 HydrophobicContact CG2-CG 4.36Å; T1362-F1366 PolarHBondContact OG1-O 2.67Å; G1364-F1366 PolarHBondContact O-N 2.94Å; F1366-C1368 HydrophobicContact CD2-CB 4.22Å; F1366-C1368 HydrophobicContact CE2-CB 3.96Å; F1366-V1373 HydrophobicContact CE1-CG1 3.94Å; F1366-V1373 HydrophobicContact CE2-CG2 4.01Å; F1366-V1373 HydrophobicContact CZ-CG1 3.88Å; F1366-V1373 HydrophobicContact CZ-CG2 4.03Å |
| 1367 | A | 76.9 | Confident | 69.1 | Low | 51 Ų | 51 | 33.9 Ų | 33.9 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | trans | -73.3 | 130 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1362 | T1362-A1367 WeakPolarHBondContact OG1-CA 3.38Š| ||
| 1368 | C | 84.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -140.5 | 72.9 | 177.3 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | T1362 F1366 G1370 R1371 V1373 | T1362-C1368 PolarHBondContact OG1-N 2.9Å; F1366-C1368 HydrophobicContact CD2-CB 4.22Å; F1366-C1368 HydrophobicContact CE2-CB 3.96Å; C1368-G1370 PolarHBondContact O-N 3.47Å; C1368-R1371 PolarHBondContact O-N 3.07Å; C1368-V1373 HydrophobicContact CB-CG2 3.77Å | ||
| 1369 | P | 82.1 | Confident | 74.2 | Confident | 31 Ų | 31 | 27.6 Ų | 27.6 | 20% | 0.201 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 134.8 | -170.2 | -30.6 | 36.9 | 0 | 0 | 0 | 115.1 | S1258 R1259 L1260 R1371 | S1258-P1369 WeakPolarHBondContact CB-O 3.43Å; R1259-P1369 PolarHBondContact N-O 3.39Å; L1260-P1369 HydrophobicContact CD1-CB 4.07Å; L1260-P1369 HydrophobicContact CD1-CG 4.02Å; L1260-P1369 HydrophobicContact CD2-CB 4.31Å; L1260-P1369 HydrophobicContact CG-CB 4.04Å; P1369-R1371 PolarHBondContact O-N 3.22Å |
| 1370 | G | 83.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -8.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1259 C1368 | R1259-G1370 WeakPolarHBondContact CD-O 3.38Å; R1259-G1370 PolarHBondContact NH1-O 3.38Å; C1368-G1370 PolarHBondContact O-N 3.47Å |
| 1371 | R | 88.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -116.7 | 151.8 | 173.2 | -54.4 | -168.4 | -166.1 | -70 | -11 | 111 | D1224 P1225 E1226 L1257 S1258 R1259 T1362 C1368 P1369 | D1224-R1371 IonicContact OD1-CZ 2.85Å; D1224-R1371 IonicContact OD1-NH1 2.86Å; D1224-R1371 PolarHBondContact OD1-NH1 3.06Å; D1224-R1371 IonicContact OD1-NH2 3.52Å; D1224-R1371 PolarHBondContact OD1-NH2 3.01Å; P1225-R1371 PolarHBondContact O-NH1 3.33Å; E1226-R1371 WeakPolarHBondContact O-CA 3.11Å; L1257-R1371 WeakPolarHBondContact O-CD 3.42Å; L1257-R1371 PolarHBondContact O-NE 2.92Å; S1258-R1371 PolarHBondContact O-NH2 3.04Å; R1259-R1371 HydrophobicContact CG-CG 3.98Å; T1362-R1371 WeakPolarHBondContact CG2-O 3.36Å; C1368-R1371 PolarHBondContact O-N 3.07Å; P1369-R1371 PolarHBondContact O-N 3.22Å |
| 1372 | V | 88 | Confident | 80.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.4 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 109.4 | F11 E1226 I1227 L1228 L1374 Y1462 | F11-V1372 HydrophobicContact CE1-CB 4.21Å; F11-V1372 HydrophobicContact CE1-CG2 3.57Å; F11-V1372 HydrophobicContact CZ-CB 4Å; F11-V1372 HydrophobicContact CZ-CG2 3.6Å; E1226-V1372 PolarHBondContact O-N 3.44Å; I1227-V1372 CarbonylContact C-O 3.59Å; I1227-V1372 WeakPolarHBondContact CA-O 3.49Å; I1227-V1372 HydrophobicContact CG1-CB 4.45Å; L1228-V1372 PolarHBondContact N-O 3Å; V1372-L1374 HydrophobicContact CG1-CD1 4.5Å; V1372-L1374 HydrophobicContact CG1-CD2 3.53Å; V1372-L1374 HydrophobicContact CG1-CG 3.89Å; V1372-Y1462 HydrophobicContact CG1-CD2 3.54Å; V1372-Y1462 HydrophobicContact CG1-CE2 4.34Å; V1372-Y1462 HydrophobicContact CG1-CG 4.2Å |
| 1373 | V | 88.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | L1228 I1233 F1366 C1368 | L1228-V1373 HydrophobicContact CB-CG2 4.44Å; L1228-V1373 HydrophobicContact CD1-CG2 4.48Å; L1228-V1373 WeakPolarHBondContact O-CA 3.46Å; I1233-V1373 HydrophobicContact CD1-CG1 3.78Å; I1233-V1373 HydrophobicContact CG2-CG1 4.24Å; F1366-V1373 HydrophobicContact CE1-CG1 3.94Å; F1366-V1373 HydrophobicContact CE2-CG2 4.01Å; F1366-V1373 HydrophobicContact CZ-CG1 3.88Å; F1366-V1373 HydrophobicContact CZ-CG2 4.03Å; C1368-V1373 HydrophobicContact CB-CG2 3.77Å |
| 1374 | L | 86.4 | Confident | 84.6 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.1 | -171 | -61.5 | -173.7 | 0 | 0 | 0 | 112.8 | I1227 L1228 I1229 I1233 V1372 F1376 I1379 Y1462 L1465 | I1227-L1374 HydrophobicContact CG2-CD1 3.73Å; I1227-L1374 HydrophobicContact CG2-CG 4Å; L1228-L1374 PolarHBondContact O-N 3.28Å; I1229-L1374 HydrophobicContact CG1-CB 4.35Å; I1233-L1374 WeakPolarHBondContact CD1-O 3.47Å; V1372-L1374 HydrophobicContact CG1-CD1 4.5Å; V1372-L1374 HydrophobicContact CG1-CD2 3.53Å; V1372-L1374 HydrophobicContact CG1-CG 3.89Å; L1374-F1376 PolarHBondContact O-N 3.03Å; L1374-I1379 HydrophobicContact CB-CD1 3.99Å; L1374-I1379 HydrophobicContact CD1-CD1 4Å; L1374-I1379 HydrophobicContact CD2-CD1 4.18Å; L1374-I1379 HydrophobicContact CG-CD1 4.27Å; L1374-Y1462 HydrophobicContact CD2-CD2 4.1Å; L1374-Y1462 HydrophobicContact CD2-CE2 4.03Å; L1374-L1465 HydrophobicContact CD1-CD1 3.99Å; L1374-L1465 HydrophobicContact CD2-CD1 3.8Å |
| 1375 | C | 88.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 8% | 0.081 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 102.1 | 171.3 | -164.8 | 0 | 0 | 0 | 0 | 109.3 | I1233 E1234 W1377 R1378 | I1233-C1375 HydrophobicContact CB-CB 4.35Å; I1233-C1375 PolarHBondContact N-SG 3.38Å; E1234-C1375 PolarHBondContact OE1-SG 2.95Å; C1375-W1377 PolarHBondContact O-N 2.99Å; C1375-W1377 PolarHBondContact SG-NE1 2.96Å; C1375-W1377 VanDerWaalsContact SG-NE1 3.41Å; C1375-R1378 HydrophobicContact CB-CG 4.48Å; C1375-R1378 PolarHBondContact O-N 3.38Å |
| 1376 | F | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -36.4 | -159.7 | -167.4 | -158.9 | 0 | 0 | 0 | 113.8 | I1229 G1230 Y1231 L1374 R1378 I1379 L1380 N1437 L1440 L1441 L1446 | I1229-F1376 HydrophobicContact CD1-CB 4.04Å; I1229-F1376 HydrophobicContact CD1-CD1 4.12Å; I1229-F1376 HydrophobicContact CD1-CD2 4.05Å; I1229-F1376 HydrophobicContact CD1-CG 3.83Å; I1229-F1376 HydrophobicContact CG1-CB 4.01Å; I1229-F1376 HydrophobicContact CG1-CG 4.34Å; G1230-F1376 PolarHBondContact O-N 3.44Å; Y1231-F1376 HydrophobicContact CD2-CD1 4.16Å; Y1231-F1376 PolarHBondContact O-N 3.01Å; L1374-F1376 PolarHBondContact O-N 3.03Å; F1376-R1378 PolarHBondContact O-N 3.44Å; F1376-I1379 PolarHBondContact O-N 2.98Å; F1376-I1379 VanDerWaalsContact O-N 3.14Å; F1376-L1380 HydrophobicContact CD1-CD1 4.06Å; F1376-L1380 HydrophobicContact CD2-CD1 3.99Å; F1376-L1380 HydrophobicContact CD2-CG 3.98Å; F1376-L1380 HydrophobicContact CE1-CD1 4.16Å; F1376-L1380 HydrophobicContact CE2-CD1 4.08Å; F1376-L1380 HydrophobicContact CE2-CD2 4.1Å; F1376-L1380 HydrophobicContact CE2-CG 3.89Å; F1376-L1380 HydrophobicContact CG-CD1 3.98Å; F1376-L1380 HydrophobicContact CG-CG 4.47Å; F1376-L1380 HydrophobicContact CZ-CD1 4.17Å; F1376-L1380 HydrophobicContact CZ-CD2 4.25Å; F1376-L1380 HydrophobicContact CZ-CG 4.32Å; F1376-L1380 WeakPolarHBondContact O-CG 3.49Å; F1376-L1380 PolarHBondContact O-N 3.4Å; F1376-N1437 HydrophobicContact CD1-CB 4.39Å; F1376-N1437 WeakPolarHBondContact CE1-O 3.36Å; F1376-L1440 HydrophobicContact CE1-CB 3.67Å; F1376-L1440 HydrophobicContact CE1-CD1 4.1Å; F1376-L1440 HydrophobicContact CZ-CB 3.7Å; F1376-L1441 HydrophobicContact CZ-CB 4.21Å; F1376-L1446 HydrophobicContact CE2-CD2 4.19Å |
| 1377 | W | 90.7 | Very high | 87.1 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -30.3 | 177.4 | 77.3 | -96.3 | 0 | 0 | 0 | 113.1 | Y1231 C1375 M1381 L1897 E1900 | Y1231-W1377 HydrophobicContact CD1-CB 4.21Å; Y1231-W1377 HydrophobicContact CE1-CB 3.66Å; Y1231-W1377 VanDerWaalsContact O-CD1 3.24Å; Y1231-W1377 PolarHBondContact O-N 2.87Å; C1375-W1377 PolarHBondContact O-N 2.99Å; C1375-W1377 PolarHBondContact SG-NE1 2.96Å; C1375-W1377 VanDerWaalsContact SG-NE1 3.41Å; W1377-M1381 HydrophobicContact CE3-CG 4.23Å; W1377-M1381 HydrophobicContact CE3-SD 3.88Å; W1377-M1381 HydrophobicContact CZ3-CG 4.44Å; W1377-M1381 HydrophobicContact CZ3-SD 3.51Å; W1377-M1381 VanDerWaalsContact CZ3-SD 3.51Å; W1377-M1381 PolarHBondContact O-N 3.42Å; W1377-M1381 VanDerWaalsContact O-N 3.1Å; W1377-L1897 HydrophobicContact CH2-CB 4.02Å; W1377-L1897 HydrophobicContact CZ2-CB 3.8Å; W1377-L1897 HydrophobicContact CZ2-CD1 3.53Å; W1377-L1897 HydrophobicContact CZ2-CG 4.32Å; W1377-E1900 HydrophobicContact CH2-CB 4.27Å; W1377-E1900 HydrophobicContact CZ3-CB 4.4Å |
| 1378 | R | 88.4 | Confident | 87.7 | Confident | 79 Ų | 79 | 30.5 Ų | 30.5 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.5 | -68.3 | -165.6 | 175.9 | -78.1 | -1.9 | 112.1 | E1234 C1375 F1376 M1381 H1382 R1898 | E1234-R1378 WeakPolarHBondContact OE1-CD 3.35Å; E1234-R1378 IonicContact OE1-CZ 2.68Å; E1234-R1378 IonicContact OE1-NE 3.34Å; E1234-R1378 PolarHBondContact OE1-NE 3.17Å; E1234-R1378 IonicContact OE1-NH2 3.55Å; E1234-R1378 IonicContact OE2-CZ 2.76Å; E1234-R1378 IonicContact OE2-NE 3Å; E1234-R1378 PolarHBondContact OE2-NE 2.92Å; E1234-R1378 IonicContact OE2-NH2 2.99Å; E1234-R1378 PolarHBondContact OE2-NH2 3.17Å; C1375-R1378 HydrophobicContact CB-CG 4.48Å; C1375-R1378 PolarHBondContact O-N 3.38Å; F1376-R1378 PolarHBondContact O-N 3.44Å; R1378-M1381 WeakPolarHBondContact O-CB 3.44Å; R1378-M1381 PolarHBondContact O-N 2.81Å; R1378-H1382 PolarHBondContact O-CD2 3.44Å; R1378-H1382 VanDerWaalsContact O-CD2 3.27Å; R1378-R1898 PolarHBondContact NH1-O 2.88Å; R1378-R1898 PolarHBondContact NH2-O 3.32Å |
| 1379 | I | 88.7 | Confident | 88.1 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 11% | 0.108 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 175.6 | -56.5 | 176.5 | 0 | 0 | 0 | 109.4 | L1374 F1376 M1381 H1382 E1383 L1446 L1465 | L1374-I1379 HydrophobicContact CB-CD1 3.99Å; L1374-I1379 HydrophobicContact CD1-CD1 4Å; L1374-I1379 HydrophobicContact CD2-CD1 4.18Å; L1374-I1379 HydrophobicContact CG-CD1 4.27Å; F1376-I1379 PolarHBondContact O-N 2.98Å; F1376-I1379 VanDerWaalsContact O-N 3.14Å; I1379-M1381 PolarHBondContact O-N 3.24Å; I1379-M1381 VanDerWaalsContact O-N 3.12Å; I1379-H1382 PolarHBondContact O-N 2.75Å; I1379-E1383 HydrophobicContact CG2-CG 4.11Å; I1379-E1383 WeakPolarHBondContact O-CG 3.47Å; I1379-E1383 PolarHBondContact O-N 3.42Å; I1379-E1383 VanDerWaalsContact O-N 3.14Å; I1379-L1446 HydrophobicContact CD1-CD2 4.15Å; I1379-L1446 HydrophobicContact CG2-CD1 3.8Å; I1379-L1446 HydrophobicContact CG2-CD2 3.93Å; I1379-L1465 HydrophobicContact CD1-CD1 4.35Å |
| 1380 | L | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.5 | -27.2 | 177 | -69.9 | 162.2 | 0 | 0 | 0 | 113.5 | Y1231 F1376 I1384 Y1389 V1394 L1398 L1444 | Y1231-L1380 HydrophobicContact CE2-CD1 3.64Å; F1376-L1380 HydrophobicContact CD1-CD1 4.06Å; F1376-L1380 HydrophobicContact CD2-CD1 3.99Å; F1376-L1380 HydrophobicContact CD2-CG 3.98Å; F1376-L1380 HydrophobicContact CE1-CD1 4.16Å; F1376-L1380 HydrophobicContact CE2-CD1 4.08Å; F1376-L1380 HydrophobicContact CE2-CD2 4.1Å; F1376-L1380 HydrophobicContact CE2-CG 3.89Å; F1376-L1380 HydrophobicContact CG-CD1 3.98Å; F1376-L1380 HydrophobicContact CG-CG 4.47Å; F1376-L1380 HydrophobicContact CZ-CD1 4.17Å; F1376-L1380 HydrophobicContact CZ-CD2 4.25Å; F1376-L1380 HydrophobicContact CZ-CG 4.32Å; F1376-L1380 WeakPolarHBondContact O-CG 3.49Å; F1376-L1380 PolarHBondContact O-N 3.4Å; L1380-I1384 HydrophobicContact CD2-CD1 3.99Å; L1380-I1384 PolarHBondContact O-N 2.64Å; L1380-I1384 VanDerWaalsContact O-N 3.11Å; L1380-Y1389 HydrophobicContact CB-CD1 4.5Å; L1380-Y1389 WeakPolarHBondContact O-CE1 3.3Å; L1380-V1394 HydrophobicContact CD1-CG1 4.05Å; L1380-V1394 HydrophobicContact CD1-CG2 4.44Å; L1380-V1394 HydrophobicContact CD2-CG1 4.07Å; L1380-L1398 HydrophobicContact CD2-CD1 4.34Å; L1380-L1444 HydrophobicContact CD2-CD1 3.49Å; L1380-L1444 VanDerWaalsContact CD2-CD1 3.49Å |
| 1381 | M | 88.7 | Confident | 88.9 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.7 | -29.3 | 173.1 | -86 | -161.1 | 57.9 | 0 | 0 | 114.7 | W1377 R1378 I1379 Y1389 G1899 | W1377-M1381 HydrophobicContact CE3-CG 4.23Å; W1377-M1381 HydrophobicContact CE3-SD 3.88Å; W1377-M1381 HydrophobicContact CZ3-CG 4.44Å; W1377-M1381 HydrophobicContact CZ3-SD 3.51Å; W1377-M1381 VanDerWaalsContact CZ3-SD 3.51Å; W1377-M1381 PolarHBondContact O-N 3.42Å; W1377-M1381 VanDerWaalsContact O-N 3.1Å; R1378-M1381 WeakPolarHBondContact O-CB 3.44Å; R1378-M1381 PolarHBondContact O-N 2.81Å; I1379-M1381 PolarHBondContact O-N 3.24Å; I1379-M1381 VanDerWaalsContact O-N 3.12Å; M1381-Y1389 HydrophobicContact CB-CE1 4.33Å; M1381-Y1389 HydrophobicContact CE-CE2 4.36Å; M1381-Y1389 HydrophobicContact CG-CD1 3.82Å; M1381-Y1389 HydrophobicContact CG-CD2 3.59Å; M1381-Y1389 HydrophobicContact CG-CE1 3.82Å; M1381-Y1389 HydrophobicContact CG-CE2 3.6Å; M1381-Y1389 HydrophobicContact CG-CG 3.7Å; M1381-Y1389 HydrophobicContact SD-CD2 4.1Å; M1381-Y1389 HydrophobicContact SD-CE2 4.2Å; M1381-G1899 WeakPolarHBondContact CE-O 3.29Å |
| 1382 | H | 83.6 | Confident | 89 | Confident | 154 Ų | 154 | 30.9 Ų | 30.9 | 71% | 0.713 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -85.1 | -29.4 | 175.8 | -70.8 | -75.7 | 0 | 0 | 0 | 112.2 | R1378 I1379 | R1378-H1382 PolarHBondContact O-CD2 3.44Å; R1378-H1382 VanDerWaalsContact O-CD2 3.27Å; I1379-H1382 PolarHBondContact O-N 2.75Å |
| 1383 | E | 85.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 31.4 Ų | 31.4 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -84.3 | -29.1 | -177.7 | -61 | -71.6 | -170.1 | 0 | 0 | 114 | I1379 R1449 | I1379-E1383 HydrophobicContact CG2-CG 4.11Å; I1379-E1383 WeakPolarHBondContact O-CG 3.47Å; I1379-E1383 PolarHBondContact O-N 3.42Å; I1379-E1383 VanDerWaalsContact O-N 3.14Å; E1383-R1449 IonicContact OE1-CZ 2.76Å; E1383-R1449 IonicContact OE1-NH1 2.76Å; E1383-R1449 PolarHBondContact OE1-NH1 3.44Å; E1383-R1449 IonicContact OE1-NH2 3.81Å; E1383-R1449 PolarHBondContact OE1-NH2 3.45Å; E1383-R1449 IonicContact OE2-CZ 3.59Å; E1383-R1449 IonicContact OE2-NH1 2.69Å; E1383-R1449 PolarHBondContact OE2-NH1 3.24Å; E1383-R1449 IonicContact OE2-NH2 3.18Å; E1383-R1449 PolarHBondContact OE2-NH2 2.95Å; E1383-R1449 VanDerWaalsContact OE2-NH2 3.1Å |
| 1384 | I | 89.2 | Confident | 89.4 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 19% | 0.185 | 16% | 0.155 | C | C | . | . | trans | -140.9 | 138.2 | -168.2 | -42.7 | 171.1 | 0 | 0 | 0 | 111.3 | L1380 L1386 Y1389 L1398 L1444 | L1380-I1384 HydrophobicContact CD2-CD1 3.99Å; L1380-I1384 PolarHBondContact O-N 2.64Å; L1380-I1384 VanDerWaalsContact O-N 3.11Å; I1384-L1386 HydrophobicContact CB-CG 4.39Å; I1384-L1386 HydrophobicContact CG2-CD1 4.36Å; I1384-L1386 HydrophobicContact CG2-CD2 3.8Å; I1384-L1386 HydrophobicContact CG2-CG 3.79Å; I1384-L1386 PolarHBondContact O-N 3.49Å; I1384-Y1389 VanDerWaalsContact O-CE1 3.25Å; I1384-Y1389 WeakPolarHBondContact O-CE1 3.34Å; I1384-Y1389 PolarHBondContact O-OH 3.43Å; I1384-L1398 HydrophobicContact CD1-CD1 3.59Å; I1384-L1398 HydrophobicContact CD1-CD2 3.88Å; I1384-L1398 HydrophobicContact CD1-CG 3.84Å; I1384-L1444 HydrophobicContact CD1-CD2 4.27Å | ||
| 1385 | S | 88.1 | Confident | 89.7 | Confident | 87 Ų | 87 | 31 Ų | 31 | 61% | 0.608 | 15% | 0.153 | S | C | * | . | trans | -91.6 | 78 | -179.9 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | R1782 | S1385-R1782 VanDerWaalsContact O-CD 3.3Å; S1385-R1782 WeakPolarHBondContact O-CD 3.4Å | ||
| 1386 | L | 90.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | trans | -102.7 | 160.5 | 179.7 | -56.6 | -177.3 | 0 | 0 | 0 | 114.5 | I1384 Y1389 V1394 H1397 R1782 R1901 | I1384-L1386 HydrophobicContact CB-CG 4.39Å; I1384-L1386 HydrophobicContact CG2-CD1 4.36Å; I1384-L1386 HydrophobicContact CG2-CD2 3.8Å; I1384-L1386 HydrophobicContact CG2-CG 3.79Å; I1384-L1386 PolarHBondContact O-N 3.49Å; L1386-Y1389 HydrophobicContact CB-CD1 4.22Å; L1386-Y1389 HydrophobicContact CB-CE1 3.84Å; L1386-Y1389 HydrophobicContact CB-CE2 4.33Å; L1386-Y1389 HydrophobicContact CD1-CD1 4.28Å; L1386-Y1389 HydrophobicContact CD1-CE1 4.34Å; L1386-Y1389 HydrophobicContact CG-CE1 4.13Å; L1386-Y1389 PolarHBondContact N-OH 2.94Å; L1386-Y1389 VanDerWaalsContact N-OH 3.14Å; L1386-Y1389 WeakPolarHBondContact O-CE2 3.18Å; L1386-V1394 HydrophobicContact CD1-CG2 3.76Å; L1386-H1397 HydrophobicContact CD2-CB 4.08Å; L1386-R1782 WeakPolarHBondContact O-CD 3.38Å; L1386-R1782 PolarHBondContact O-NH1 3.15Å; L1386-R1901 WeakPolarHBondContact O-CD 3.32Å | ||
| 1387 | Y | 87.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.7 | -37.6 | 174 | -75.2 | -90.9 | 0 | 0 | 0 | 112.8 | R1781 R1782 P1786 S1863 R1901 | Y1387-R1781 PolarHBondContact OH-O 3.09Å; Y1387-R1782 HydrophobicContact CD1-CB 4.32Å; Y1387-R1782 HydrophobicContact CE1-CB 4.29Å; Y1387-P1786 HydrophobicContact CD1-CG 4.08Å; Y1387-P1786 HydrophobicContact CD2-CG 4.36Å; Y1387-P1786 HydrophobicContact CE1-CG 3.86Å; Y1387-P1786 HydrophobicContact CE2-CB 4.46Å; Y1387-P1786 HydrophobicContact CE2-CG 4.17Å; Y1387-P1786 HydrophobicContact CG-CG 4.32Å; Y1387-S1863 WeakPolarHBondContact O-CB 3.5Å; Y1387-S1863 PolarHBondContact O-OG 3.37Å; Y1387-R1901 VanDerWaalsContact O-CD 3.31Å; Y1387-R1901 WeakPolarHBondContact O-CD 3.42Å; Y1387-R1901 PolarHBondContact O-NE 3.36Å |
| 1388 | E | 88.7 | Confident | 89.8 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | trans | -137.8 | 145 | 173.5 | -171.1 | -149.3 | -148.8 | 0 | 0 | 108.1 | S1390 T1393 R1405 V1903 F2131 | E1388-S1390 WeakPolarHBondContact OE2-CB 3.39Å; E1388-S1390 PolarHBondContact OE2-OG 2.79Å; E1388-T1393 VanDerWaalsContact O-CG2 3.31Å; E1388-T1393 WeakPolarHBondContact O-CG2 3.24Å; E1388-T1393 PolarHBondContact OE2-OG1 3.37Å; E1388-R1405 IonicContact OE1-CZ 2.88Å; E1388-R1405 IonicContact OE1-NH1 3.06Å; E1388-R1405 PolarHBondContact OE1-NH1 3.08Å; E1388-R1405 IonicContact OE1-NH2 3.34Å; E1388-R1405 PolarHBondContact OE1-NH2 3.31Å; E1388-R1405 IonicContact OE2-NH1 2.69Å; E1388-R1405 PolarHBondContact OE2-NH1 3.24Å; E1388-V1903 HydrophobicContact CB-CG2 4.3Å; E1388-V1903 HydrophobicContact CG-CG2 3.91Å; E1388-F2131 HydrophobicContact CB-CE1 4.12Å; E1388-F2131 HydrophobicContact CB-CE2 4.12Å; E1388-F2131 HydrophobicContact CB-CZ 3.63Å; E1388-F2131 HydrophobicContact CG-CE2 4.07Å; E1388-F2131 HydrophobicContact CG-CZ 3.99Å; E1388-F2131 WeakPolarHBondContact OE1-CE2 3.46Å; E1388-F2131 WeakPolarHBondContact OE2-CD2 3.45Å; E1388-F2131 VanDerWaalsContact OE2-CE2 3.24Å; E1388-F2131 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 1389 | Y | 93 | Very high | 89.8 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 8% | 0.078 | 18% | 0.181 | C | C | . | . | trans | -110.1 | 44 | 178.7 | -63.2 | -92.6 | 0 | 0 | 0 | 111.7 | Y1231 L1380 M1381 I1384 L1386 R1782 R1901 | Y1231-Y1389 WeakPolarHBondContact CE1-O 3.47Å; Y1231-Y1389 PolarHBondContact OH-O 2.73Å; L1380-Y1389 HydrophobicContact CB-CD1 4.5Å; L1380-Y1389 WeakPolarHBondContact O-CE1 3.3Å; M1381-Y1389 HydrophobicContact CB-CE1 4.33Å; M1381-Y1389 HydrophobicContact CE-CE2 4.36Å; M1381-Y1389 HydrophobicContact CG-CD1 3.82Å; M1381-Y1389 HydrophobicContact CG-CD2 3.59Å; M1381-Y1389 HydrophobicContact CG-CE1 3.82Å; M1381-Y1389 HydrophobicContact CG-CE2 3.6Å; M1381-Y1389 HydrophobicContact CG-CG 3.7Å; M1381-Y1389 HydrophobicContact SD-CD2 4.1Å; M1381-Y1389 HydrophobicContact SD-CE2 4.2Å; I1384-Y1389 VanDerWaalsContact O-CE1 3.25Å; I1384-Y1389 WeakPolarHBondContact O-CE1 3.34Å; I1384-Y1389 PolarHBondContact O-OH 3.43Å; L1386-Y1389 HydrophobicContact CB-CD1 4.22Å; L1386-Y1389 HydrophobicContact CB-CE1 3.84Å; L1386-Y1389 HydrophobicContact CB-CE2 4.33Å; L1386-Y1389 HydrophobicContact CD1-CD1 4.28Å; L1386-Y1389 HydrophobicContact CD1-CE1 4.34Å; L1386-Y1389 HydrophobicContact CG-CE1 4.13Å; L1386-Y1389 PolarHBondContact N-OH 2.94Å; L1386-Y1389 VanDerWaalsContact N-OH 3.14Å; L1386-Y1389 WeakPolarHBondContact O-CE2 3.18Å; Y1389-R1782 PolarHBondContact OH-NH1 2.72Å; Y1389-R1901 HydrophobicContact CD2-CG 4.36Å; Y1389-R1901 HydrophobicContact CE2-CG 4.21Å | ||
| 1390 | S | 91 | Very high | 89.8 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | trans | -77 | 154.3 | 165.7 | 70 | 0 | 0 | 0 | 0 | 110.8 | E1388 E1392 T1393 V1394 R1405 | E1388-S1390 WeakPolarHBondContact OE2-CB 3.39Å; E1388-S1390 PolarHBondContact OE2-OG 2.79Å; S1390-E1392 WeakPolarHBondContact CB-OE2 3.46Å; S1390-E1392 PolarHBondContact O-N 3.37Å; S1390-E1392 PolarHBondContact OG-OE2 3.05Å; S1390-T1393 PolarHBondContact O-N 2.77Å; S1390-T1393 VanDerWaalsContact O-N 3.15Å; S1390-T1393 PolarHBondContact OG-N 2.9Å; S1390-T1393 PolarHBondContact OG-OG1 3.2Å; S1390-V1394 WeakPolarHBondContact O-CG2 3.23Å; S1390-V1394 PolarHBondContact O-N 3.01Å; S1390-R1405 PolarHBondContact OG-NH1 2.66Å | ||
| 1391 | V | 92 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.2 | -45.4 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | Y1231 T1393 V1394 V1395 M1403 V1436 | Y1231-V1391 HydrophobicContact CD1-CG2 3.44Å; Y1231-V1391 VanDerWaalsContact CD1-CG2 3.44Å; Y1231-V1391 HydrophobicContact CD2-CG2 3.46Å; Y1231-V1391 VanDerWaalsContact CD2-CG2 3.46Å; Y1231-V1391 HydrophobicContact CE1-CG2 3.68Å; Y1231-V1391 HydrophobicContact CE2-CB 4.48Å; Y1231-V1391 HydrophobicContact CE2-CG2 3.69Å; Y1231-V1391 HydrophobicContact CG-CG2 3.3Å; V1391-T1393 VanDerWaalsContact C-N 3.29Å; V1391-T1393 PolarHBondContact O-N 2.83Å; V1391-V1394 PolarHBondContact O-N 2.63Å; V1391-V1395 HydrophobicContact CG1-CG2 3.92Å; V1391-V1395 VanDerWaalsContact O-CB 3.28Å; V1391-V1395 WeakPolarHBondContact O-CB 3.14Å; V1391-V1395 WeakPolarHBondContact O-CG2 3.47Å; V1391-V1395 PolarHBondContact O-N 2.89Å; V1391-M1403 HydrophobicContact CG1-SD 3.9Å; V1391-V1436 HydrophobicContact CG1-CG1 4.07Å |
| 1392 | E | 91.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.7 | -30.2 | -172.8 | -54.9 | 81.9 | -175.5 | 0 | 0 | 112.1 | S1390 Y1396 M1403 R1405 R1433 | S1390-E1392 WeakPolarHBondContact CB-OE2 3.46Å; S1390-E1392 PolarHBondContact O-N 3.37Å; S1390-E1392 PolarHBondContact OG-OE2 3.05Å; E1392-Y1396 PolarHBondContact O-N 3.48Å; E1392-M1403 HydrophobicContact CB-CB 4.26Å; E1392-M1403 HydrophobicContact CG-CB 4.08Å; E1392-M1403 HydrophobicContact CG-CG 4.13Å; E1392-R1405 HydrophobicContact CG-CB 4.03Å; E1392-R1405 HydrophobicContact CG-CG 4.38Å; E1392-R1405 IonicContact OE2-NE 3.43Å; E1392-R1433 IonicContact OE1-CZ 3.21Å; E1392-R1433 IonicContact OE1-NH1 3.37Å; E1392-R1433 PolarHBondContact OE1-NH1 2.97Å |
| 1393 | T | 91.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -78 | -46.4 | 173.4 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | E1388 S1390 V1391 V1395 Y1396 H1397 | E1388-T1393 VanDerWaalsContact O-CG2 3.31Å; E1388-T1393 WeakPolarHBondContact O-CG2 3.24Å; E1388-T1393 PolarHBondContact OE2-OG1 3.37Å; S1390-T1393 PolarHBondContact O-N 2.77Å; S1390-T1393 VanDerWaalsContact O-N 3.15Å; S1390-T1393 PolarHBondContact OG-N 2.9Å; S1390-T1393 PolarHBondContact OG-OG1 3.2Å; V1391-T1393 VanDerWaalsContact C-N 3.29Å; V1391-T1393 PolarHBondContact O-N 2.83Å; T1393-V1395 PolarHBondContact O-N 3.27Å; T1393-Y1396 PolarHBondContact O-N 3.02Å; T1393-H1397 PolarHBondContact O-CD2 2.8Å; T1393-H1397 VanDerWaalsContact O-CD2 3.26Å; T1393-H1397 PolarHBondContact O-N 2.91Å; T1393-H1397 VanDerWaalsContact O-N 3.09Å |
| 1394 | V | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 112 | Y1231 L1380 L1386 S1390 V1391 Y1396 H1397 L1398 L1440 | Y1231-V1394 WeakPolarHBondContact OH-CG2 3.4Å; L1380-V1394 HydrophobicContact CD1-CG1 4.05Å; L1380-V1394 HydrophobicContact CD1-CG2 4.44Å; L1380-V1394 HydrophobicContact CD2-CG1 4.07Å; L1386-V1394 HydrophobicContact CD1-CG2 3.76Å; S1390-V1394 WeakPolarHBondContact O-CG2 3.23Å; S1390-V1394 PolarHBondContact O-N 3.01Å; V1391-V1394 PolarHBondContact O-N 2.63Å; V1394-Y1396 VanDerWaalsContact C-N 3.3Å; V1394-Y1396 PolarHBondContact O-N 2.83Å; V1394-H1397 PolarHBondContact O-N 3.29Å; V1394-L1398 HydrophobicContact CG1-CD1 3.94Å; V1394-L1398 PolarHBondContact O-N 2.98Å; V1394-L1440 HydrophobicContact CG1-CD1 4.06Å; V1394-L1440 HydrophobicContact CG1-CD2 4.1Å |
| 1395 | V | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -37.7 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | V1391 T1393 L1399 R1400 E1401 V1436 L1440 | V1391-V1395 HydrophobicContact CG1-CG2 3.92Å; V1391-V1395 VanDerWaalsContact O-CB 3.28Å; V1391-V1395 WeakPolarHBondContact O-CB 3.14Å; V1391-V1395 WeakPolarHBondContact O-CG2 3.47Å; V1391-V1395 PolarHBondContact O-N 2.89Å; T1393-V1395 PolarHBondContact O-N 3.27Å; V1395-L1399 HydrophobicContact CG1-CB 4.39Å; V1395-L1399 HydrophobicContact CG1-CD1 4.35Å; V1395-L1399 CarbonylContact O-C 3.55Å; V1395-L1399 WeakPolarHBondContact O-CA 3.4Å; V1395-L1399 WeakPolarHBondContact O-CB 3.32Å; V1395-L1399 PolarHBondContact O-N 3.24Å; V1395-R1400 PolarHBondContact O-N 2.86Å; V1395-E1401 HydrophobicContact CG1-CB 3.77Å; V1395-V1436 HydrophobicContact CG2-CG1 3.37Å; V1395-V1436 HydrophobicContact CG2-CG2 4.45Å; V1395-L1440 HydrophobicContact CG2-CD1 4.15Å |
| 1396 | Y | 90.4 | Very high | 88.8 | Confident | 84 Ų | 84 | 36.4 Ų | 36.4 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.1 | 174.4 | -109.2 | 0 | 0 | 0 | 112.5 | E1392 T1393 V1394 R1400 E1401 F1402 | E1392-Y1396 PolarHBondContact O-N 3.48Å; T1393-Y1396 PolarHBondContact O-N 3.02Å; V1394-Y1396 VanDerWaalsContact C-N 3.3Å; V1394-Y1396 PolarHBondContact O-N 2.83Å; Y1396-R1400 VanDerWaalsContact O-CA 3.31Å; Y1396-R1400 WeakPolarHBondContact O-CA 3.49Å; Y1396-R1400 PolarHBondContact O-N 2.78Å; Y1396-E1401 WeakPolarHBondContact CA-O 3.07Å; Y1396-E1401 PolarHBondContact N-O 2.96Å; Y1396-F1402 AromaticContact CD2-CD1 3.91Å; Y1396-F1402 HydrophobicContact CD2-CD1 3.91Å; Y1396-F1402 AromaticContact CD2-CE1 3.53Å; Y1396-F1402 HydrophobicContact CD2-CE1 3.53Å; Y1396-F1402 HydrophobicContact CD2-CE2 4.36Å; Y1396-F1402 HydrophobicContact CD2-CG 4.48Å; Y1396-F1402 AromaticContact CD2-CZ 3.79Å; Y1396-F1402 HydrophobicContact CD2-CZ 3.79Å; Y1396-F1402 HydrophobicContact CE2-CD1 4.28Å; Y1396-F1402 AromaticContact CE2-CE1 3.47Å; Y1396-F1402 HydrophobicContact CE2-CE1 3.47Å; Y1396-F1402 VanDerWaalsContact CE2-CE1 3.47Å; Y1396-F1402 HydrophobicContact CE2-CE2 4Å; Y1396-F1402 AromaticContact CE2-CZ 3.31Å; Y1396-F1402 HydrophobicContact CE2-CZ 3.31Å; Y1396-F1402 HydrophobicContact CG-CE1 4.36Å |
| 1397 | H | 90.2 | Very high | 88.4 | Confident | 83 Ų | 83 | 37 Ų | 37 | 38% | 0.384 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.7 | -42.8 | 179.4 | -77.8 | -79.5 | 0 | 0 | 0 | 113.3 | L1386 T1393 V1394 | L1386-H1397 HydrophobicContact CD2-CB 4.08Å; T1393-H1397 PolarHBondContact O-CD2 2.8Å; T1393-H1397 VanDerWaalsContact O-CD2 3.26Å; T1393-H1397 PolarHBondContact O-N 2.91Å; T1393-H1397 VanDerWaalsContact O-N 3.09Å; V1394-H1397 PolarHBondContact O-N 3.29Å |
| 1398 | L | 90.4 | Very high | 88.1 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -88.8 | -44.4 | -176.4 | -76.5 | 176 | 0 | 0 | 0 | 114.9 | L1380 I1384 V1394 L1440 L1444 | L1380-L1398 HydrophobicContact CD2-CD1 4.34Å; I1384-L1398 HydrophobicContact CD1-CD1 3.59Å; I1384-L1398 HydrophobicContact CD1-CD2 3.88Å; I1384-L1398 HydrophobicContact CD1-CG 3.84Å; V1394-L1398 HydrophobicContact CG1-CD1 3.94Å; V1394-L1398 PolarHBondContact O-N 2.98Å; L1398-L1440 HydrophobicContact CB-CD2 3.95Å; L1398-L1440 HydrophobicContact CD1-CD2 3.71Å; L1398-L1444 HydrophobicContact CD1-CD1 3.98Å; L1398-L1444 HydrophobicContact CD1-CD2 4.05Å; L1398-L1444 HydrophobicContact CD1-CG 4.05Å; L1398-L1444 HydrophobicContact CD2-CD2 3.87Å |
| 1399 | L | 88.6 | Confident | 87.6 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -100 | -3.6 | -173.7 | -56.7 | 179.5 | 0 | 0 | 0 | 112.6 | V1395 E1401 R1439 L1440 T1443 | V1395-L1399 HydrophobicContact CG1-CB 4.39Å; V1395-L1399 HydrophobicContact CG1-CD1 4.35Å; V1395-L1399 CarbonylContact O-C 3.55Å; V1395-L1399 WeakPolarHBondContact O-CA 3.4Å; V1395-L1399 WeakPolarHBondContact O-CB 3.32Å; V1395-L1399 PolarHBondContact O-N 3.24Å; L1399-E1401 HydrophobicContact CB-CB 4.48Å; L1399-E1401 PolarHBondContact O-N 2.62Å; L1399-R1439 HydrophobicContact CD1-CB 4.33Å; L1399-L1440 HydrophobicContact CD1-CD2 3.76Å; L1399-L1440 HydrophobicContact CD1-CG 4.13Å; L1399-L1440 HydrophobicContact CD2-CD2 4.29Å; L1399-L1440 HydrophobicContact CG-CD2 3.72Å; L1399-T1443 HydrophobicContact CD2-CG2 4.22Å; L1399-T1443 WeakPolarHBondContact CD2-OG1 3.41Å |
| 1400 | R | 88.6 | Confident | 86.9 | Confident | 169 Ų | 169 | 36.6 Ų | 36.6 | 64% | 0.638 | 16% | 0.163 | S | C | * | . | trans | 53 | 20.5 | -173 | -51.4 | -57.9 | -168.7 | 162.9 | 5.8 | 113.9 | V1395 Y1396 | V1395-R1400 PolarHBondContact O-N 2.86Å; Y1396-R1400 VanDerWaalsContact O-CA 3.31Å; Y1396-R1400 WeakPolarHBondContact O-CA 3.49Å; Y1396-R1400 PolarHBondContact O-N 2.78Å | ||
| 1401 | E | 84 | Confident | 86.5 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 23% | 0.229 | 16% | 0.16 | C | C | . | . | trans | -95.1 | 139.2 | 177.5 | -81.2 | -177.2 | -139.9 | 0 | 0 | 111 | V1395 Y1396 L1399 R1432 R1439 | V1395-E1401 HydrophobicContact CG1-CB 3.77Å; Y1396-E1401 WeakPolarHBondContact CA-O 3.07Å; Y1396-E1401 PolarHBondContact N-O 2.96Å; L1399-E1401 HydrophobicContact CB-CB 4.48Å; L1399-E1401 PolarHBondContact O-N 2.62Å; E1401-R1432 IonicContact OE2-CZ 2.84Å; E1401-R1432 IonicContact OE2-NE 3.04Å; E1401-R1432 IonicContact OE2-NH2 2.67Å; E1401-R1432 PolarHBondContact OE2-NH2 3.14Å; E1401-R1439 IonicContact OE1-CZ 3.28Å; E1401-R1439 IonicContact OE1-NH1 2.66Å; E1401-R1439 PolarHBondContact OE1-NH1 2.95Å; E1401-R1439 IonicContact OE1-NH2 3.97Å; E1401-R1439 PolarHBondContact OE1-NH2 3.43Å; E1401-R1439 IonicContact OE2-NH1 3.04Å | ||
| 1402 | F | 81.6 | Confident | 86.1 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | trans | -84.6 | 136.4 | 166.6 | -73.4 | -74.1 | 0 | 0 | 0 | 111.1 | Y1396 | Y1396-F1402 AromaticContact CD2-CD1 3.91Å; Y1396-F1402 HydrophobicContact CD2-CD1 3.91Å; Y1396-F1402 AromaticContact CD2-CE1 3.53Å; Y1396-F1402 HydrophobicContact CD2-CE1 3.53Å; Y1396-F1402 HydrophobicContact CD2-CE2 4.36Å; Y1396-F1402 HydrophobicContact CD2-CG 4.48Å; Y1396-F1402 AromaticContact CD2-CZ 3.79Å; Y1396-F1402 HydrophobicContact CD2-CZ 3.79Å; Y1396-F1402 HydrophobicContact CE2-CD1 4.28Å; Y1396-F1402 AromaticContact CE2-CE1 3.47Å; Y1396-F1402 HydrophobicContact CE2-CE1 3.47Å; Y1396-F1402 VanDerWaalsContact CE2-CE1 3.47Å; Y1396-F1402 HydrophobicContact CE2-CE2 4Å; Y1396-F1402 AromaticContact CE2-CZ 3.31Å; Y1396-F1402 HydrophobicContact CE2-CZ 3.31Å; Y1396-F1402 HydrophobicContact CG-CE1 4.36Å | ||
| 1403 | M | 84.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | trans | -125.3 | 132 | 174.4 | -167.1 | 165.7 | -171.6 | 0 | 0 | 110.8 | V1391 E1392 Y1429 R1432 R1433 N2129 | V1391-M1403 HydrophobicContact CG1-SD 3.9Å; E1392-M1403 HydrophobicContact CB-CB 4.26Å; E1392-M1403 HydrophobicContact CG-CB 4.08Å; E1392-M1403 HydrophobicContact CG-CG 4.13Å; M1403-Y1429 HydrophobicContact CE-CE2 4.48Å; M1403-R1432 HydrophobicContact CE-CB 4.34Å; M1403-R1432 HydrophobicContact CE-CG 4.21Å; M1403-R1433 HydrophobicContact CE-CG 3.49Å; M1403-R1433 VanDerWaalsContact CE-CG 3.49Å; M1403-N2129 PolarHBondContact O-ND2 3.06Å; M1403-N2129 VanDerWaalsContact O-ND2 3.09Å | ||
| 1404 | P | 85.6 | Confident | 85 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | trans | -73.2 | 152.2 | 173.9 | 31.3 | -34.9 | 0 | 0 | 0 | 111.1 | Y1406 | P1404-Y1406 HydrophobicContact CB-CE1 4.28Å; P1404-Y1406 HydrophobicContact CB-CE2 4.01Å; P1404-Y1406 HydrophobicContact CG-CE2 3.96Å | ||
| 1405 | R | 86.2 | Confident | 84.4 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | trans | -120.4 | 130.3 | 176.4 | -166.5 | 168.4 | 174.4 | 177.9 | -6 | 109.1 | E1388 S1390 E1392 N2128 N2129 | E1388-R1405 IonicContact OE1-CZ 2.88Å; E1388-R1405 IonicContact OE1-NH1 3.06Å; E1388-R1405 PolarHBondContact OE1-NH1 3.08Å; E1388-R1405 IonicContact OE1-NH2 3.34Å; E1388-R1405 PolarHBondContact OE1-NH2 3.31Å; E1388-R1405 IonicContact OE2-NH1 2.69Å; E1388-R1405 PolarHBondContact OE2-NH1 3.24Å; S1390-R1405 PolarHBondContact OG-NH1 2.66Å; E1392-R1405 HydrophobicContact CG-CB 4.03Å; E1392-R1405 HydrophobicContact CG-CG 4.38Å; E1392-R1405 IonicContact OE2-NE 3.43Å; R1405-N2128 PolarHBondContact O-N 2.9Å; R1405-N2129 HydrophobicContact CB-CB 3.85Å | ||
| 1406 | Y | 84.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | trans | -125 | 160.3 | -177.4 | -58 | -56 | 0 | 0 | 0 | 110.9 | P1404 L1411 W1414 Y1429 L2126 C2127 | P1404-Y1406 HydrophobicContact CB-CE1 4.28Å; P1404-Y1406 HydrophobicContact CB-CE2 4.01Å; P1404-Y1406 HydrophobicContact CG-CE2 3.96Å; Y1406-L1411 HydrophobicContact CD2-CD2 4.07Å; Y1406-L1411 HydrophobicContact CG-CD2 4.42Å; Y1406-W1414 HydrophobicContact CD1-CH2 4.25Å; Y1406-W1414 HydrophobicContact CD1-CZ3 4.47Å; Y1406-W1414 HydrophobicContact CD2-CZ3 4.26Å; Y1406-W1414 AromaticContact CE1-CH2 3.92Å; Y1406-W1414 HydrophobicContact CE1-CH2 3.92Å; Y1406-W1414 HydrophobicContact CE1-CZ3 4.29Å; Y1406-W1414 HydrophobicContact CE2-CH2 4.49Å; Y1406-W1414 HydrophobicContact CE2-CZ3 4.08Å; Y1406-W1414 HydrophobicContact CG-CZ3 4.44Å; Y1406-Y1429 AromaticContact CD2-CD2 3.78Å; Y1406-Y1429 HydrophobicContact CD2-CD2 3.78Å; Y1406-Y1429 AromaticContact CD2-CE2 3.75Å; Y1406-Y1429 HydrophobicContact CD2-CE2 3.75Å; Y1406-Y1429 HydrophobicContact CD2-CG 4.43Å; Y1406-Y1429 HydrophobicContact CE2-CD2 4.03Å; Y1406-Y1429 HydrophobicContact CE2-CE2 4.28Å; Y1406-L2126 WeakPolarHBondContact CD1-O 3.23Å; Y1406-C2127 HydrophobicContact CE1-CB 4.34Å | ||
| 1407 | T | 80.5 | Confident | 82.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | trans | -86.9 | 154.9 | 175.1 | 58.7 | 0 | 0 | 0 | 0 | 112 | A1409 Q1410 L1411 Y1926 | T1407-A1409 VanDerWaalsContact C-N 3.33Å; T1407-A1409 PolarHBondContact O-N 2.61Å; T1407-Q1410 WeakPolarHBondContact O-CB 3.48Å; T1407-Q1410 PolarHBondContact O-N 2.89Å; T1407-Q1410 VanDerWaalsContact O-N 3.14Å; T1407-Q1410 WeakPolarHBondContact OG1-CB 3.31Å; T1407-Q1410 PolarHBondContact OG1-N 3.36Å; T1407-L1411 PolarHBondContact O-N 2.89Å; T1407-Y1926 HydrophobicContact CG2-CE1 3.6Å | ||
| 1408 | F | 81.8 | Confident | 81.4 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -41.5 | 178.3 | -64.6 | -70.6 | 0 | 0 | 0 | 112.7 | P1134 F1236 Q1410 L1411 N1412 W1430 | P1134-F1408 HydrophobicContact CG-CB 4.28Å; P1134-F1408 HydrophobicContact CG-CD1 4.11Å; P1134-F1408 HydrophobicContact CG-CG 4.14Å; F1236-F1408 HydrophobicContact CD1-CZ 4.37Å; F1236-F1408 HydrophobicContact CE1-CE1 4.03Å; F1236-F1408 HydrophobicContact CE1-CE2 4.18Å; F1236-F1408 AromaticContact CE1-CZ 3.52Å; F1236-F1408 HydrophobicContact CE1-CZ 3.52Å; F1236-F1408 HydrophobicContact CE2-CZ 4.37Å; F1236-F1408 HydrophobicContact CZ-CE1 4.45Å; F1236-F1408 AromaticContact CZ-CE2 3.96Å; F1236-F1408 HydrophobicContact CZ-CE2 3.96Å; F1236-F1408 AromaticContact CZ-CZ 3.52Å; F1236-F1408 HydrophobicContact CZ-CZ 3.52Å; F1408-Q1410 PolarHBondContact O-N 3.1Å; F1408-L1411 PolarHBondContact O-N 3.27Å; F1408-N1412 VanDerWaalsContact O-CB 3.27Å; F1408-N1412 WeakPolarHBondContact O-CB 3.4Å; F1408-N1412 PolarHBondContact O-N 3.04Å; F1408-W1430 HydrophobicContact CE1-CH2 4.24Å; F1408-W1430 HydrophobicContact CE1-CZ2 4.47Å |
| 1409 | A | 77.3 | Confident | 80.3 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1102 C1130 T1407 N1412 E1413 | L1102-A1409 HydrophobicContact CD2-CB 4.41Å; C1130-A1409 WeakPolarHBondContact O-CB 3.25Å; T1407-A1409 VanDerWaalsContact C-N 3.33Å; T1407-A1409 PolarHBondContact O-N 2.61Å; A1409-N1412 PolarHBondContact O-N 2.66Å; A1409-E1413 WeakPolarHBondContact O-CB 3.37Å; A1409-E1413 PolarHBondContact O-N 3.24Å |
| 1410 | Q | 78.5 | Confident | 79.2 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.065 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 178.8 | 177.1 | -171.7 | -16.9 | 0 | 0 | 111.7 | T1407 F1408 E1413 W1414 L2126 | T1407-Q1410 WeakPolarHBondContact O-CB 3.48Å; T1407-Q1410 PolarHBondContact O-N 2.89Å; T1407-Q1410 VanDerWaalsContact O-N 3.14Å; T1407-Q1410 WeakPolarHBondContact OG1-CB 3.31Å; T1407-Q1410 PolarHBondContact OG1-N 3.36Å; F1408-Q1410 PolarHBondContact O-N 3.1Å; Q1410-E1413 PolarHBondContact O-N 3.01Å; Q1410-W1414 HydrophobicContact CG-CD2 4.24Å; Q1410-W1414 HydrophobicContact CG-CZ2 4.05Å; Q1410-W1414 WeakPolarHBondContact O-CB 3.44Å; Q1410-W1414 VanDerWaalsContact O-CG 3.26Å; Q1410-W1414 PolarHBondContact O-N 3.32Å; Q1410-L2126 VanDerWaalsContact NE2-CB 3.33Å; Q1410-L2126 PolarHBondContact NE2-O 3.28Å; Q1410-L2126 PolarHBondContact OE1-O 2.89Å |
| 1411 | L | 83.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.7 | -69.4 | 170.2 | 0 | 0 | 0 | 111.7 | Y1406 T1407 F1408 W1414 Y1415 T1426 Y1429 W1430 | Y1406-L1411 HydrophobicContact CD2-CD2 4.07Å; Y1406-L1411 HydrophobicContact CG-CD2 4.42Å; T1407-L1411 PolarHBondContact O-N 2.89Å; F1408-L1411 PolarHBondContact O-N 3.27Å; L1411-W1414 PolarHBondContact O-N 2.85Å; L1411-Y1415 WeakPolarHBondContact O-CB 3.27Å; L1411-Y1415 PolarHBondContact O-N 2.9Å; L1411-T1426 HydrophobicContact CB-CG2 4.16Å; L1411-T1426 HydrophobicContact CD2-CG2 4.3Å; L1411-T1426 PolarHBondContact O-OG1 3.04Å; L1411-Y1429 HydrophobicContact CD1-CD1 3.93Å; L1411-Y1429 HydrophobicContact CD1-CE1 3.63Å; L1411-Y1429 HydrophobicContact CD2-CD1 3.98Å; L1411-Y1429 HydrophobicContact CD2-CE1 4.37Å; L1411-Y1429 HydrophobicContact CD2-CG 4.28Å; L1411-W1430 HydrophobicContact CD1-CZ2 3.88Å |
| 1412 | N | 83.3 | Confident | 77.9 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.3 | -174.5 | 45.3 | 0 | 0 | 0 | 111.8 | S1100 F1408 A1409 Y1415 I1416 | S1100-N1412 PolarHBondContact N-ND2 2.92Å; S1100-N1412 PolarHBondContact O-ND2 2.96Å; F1408-N1412 VanDerWaalsContact O-CB 3.27Å; F1408-N1412 WeakPolarHBondContact O-CB 3.4Å; F1408-N1412 PolarHBondContact O-N 3.04Å; A1409-N1412 PolarHBondContact O-N 2.66Å; N1412-Y1415 PolarHBondContact O-N 3.44Å; N1412-I1416 WeakPolarHBondContact O-CB 3.5Å; N1412-I1416 VanDerWaalsContact O-CG1 3.28Å; N1412-I1416 WeakPolarHBondContact O-CG1 3.39Å; N1412-I1416 PolarHBondContact O-N 3.31Å; N1412-I1416 WeakPolarHBondContact OD1-CD1 3.4Å |
| 1413 | E | 79.2 | Confident | 77.8 | Confident | 82 Ų | 82 | 36.5 Ų | 36.5 | 38% | 0.383 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 173.2 | -174.4 | -175.3 | 161.6 | 0 | 0 | 111.1 | A1409 Q1410 Y1415 I1416 N1417 | A1409-E1413 WeakPolarHBondContact O-CB 3.37Å; A1409-E1413 PolarHBondContact O-N 3.24Å; Q1410-E1413 PolarHBondContact O-N 3.01Å; E1413-Y1415 VanDerWaalsContact C-N 3.32Å; E1413-Y1415 PolarHBondContact O-N 3.28Å; E1413-I1416 PolarHBondContact O-N 3.15Å; E1413-N1417 WeakPolarHBondContact O-CB 3.09Å; E1413-N1417 PolarHBondContact O-N 3.29Å |
| 1414 | W | 80.5 | Confident | 77.5 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -34.4 | 177.5 | -73.5 | 3 | 0 | 0 | 0 | 113.2 | Y1406 Q1410 L1411 N1422 R1423 R1425 T1426 P2123 L2126 | Y1406-W1414 HydrophobicContact CD1-CH2 4.25Å; Y1406-W1414 HydrophobicContact CD1-CZ3 4.47Å; Y1406-W1414 HydrophobicContact CD2-CZ3 4.26Å; Y1406-W1414 AromaticContact CE1-CH2 3.92Å; Y1406-W1414 HydrophobicContact CE1-CH2 3.92Å; Y1406-W1414 HydrophobicContact CE1-CZ3 4.29Å; Y1406-W1414 HydrophobicContact CE2-CH2 4.49Å; Y1406-W1414 HydrophobicContact CE2-CZ3 4.08Å; Y1406-W1414 HydrophobicContact CG-CZ3 4.44Å; Q1410-W1414 HydrophobicContact CG-CD2 4.24Å; Q1410-W1414 HydrophobicContact CG-CZ2 4.05Å; Q1410-W1414 WeakPolarHBondContact O-CB 3.44Å; Q1410-W1414 VanDerWaalsContact O-CG 3.26Å; Q1410-W1414 PolarHBondContact O-N 3.32Å; L1411-W1414 PolarHBondContact O-N 2.85Å; W1414-N1422 HydrophobicContact CB-CB 4.19Å; W1414-N1422 HydrophobicContact CG-CB 4.41Å; W1414-N1422 CarbonylContact O-C 3.45Å; W1414-N1422 VanDerWaalsContact O-C 3.31Å; W1414-R1423 PolarHBondContact O-N 3.21Å; W1414-R1425 HydrophobicContact CE3-CB 4.4Å; W1414-T1426 WeakPolarHBondContact CB-OG1 3.33Å; W1414-P2123 HydrophobicContact CH2-CB 3.9Å; W1414-P2123 HydrophobicContact CZ2-CB 4.09Å; W1414-L2126 HydrophobicContact CZ2-CD1 4.03Å |
| 1415 | Y | 80 | Confident | 77.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.6 | -46.8 | 175.7 | -178.1 | -107 | 0 | 0 | 0 | 112.5 | H1097 Q1142 I1143 I1172 L1411 N1412 E1413 N1417 R1423 | H1097-Y1415 AromaticContact CD2-CG 3.97Å; H1097-Y1415 AromaticContact NE2-CG 3.95Å; Q1142-Y1415 HydrophobicContact CB-CE1 3.89Å; Q1142-Y1415 HydrophobicContact CG-CE1 4.3Å; I1143-Y1415 HydrophobicContact CD1-CD2 3.85Å; I1143-Y1415 HydrophobicContact CD1-CE2 3.71Å; I1143-Y1415 HydrophobicContact CG1-CD2 4.37Å; I1143-Y1415 HydrophobicContact CG1-CE2 3.78Å; I1172-Y1415 WeakPolarHBondContact CG2-OH 3.27Å; L1411-Y1415 WeakPolarHBondContact O-CB 3.27Å; L1411-Y1415 PolarHBondContact O-N 2.9Å; N1412-Y1415 PolarHBondContact O-N 3.44Å; E1413-Y1415 VanDerWaalsContact C-N 3.32Å; E1413-Y1415 PolarHBondContact O-N 3.28Å; Y1415-N1417 VanDerWaalsContact C-N 3.32Å; Y1415-N1417 PolarHBondContact O-N 3.46Å; Y1415-R1423 HydrophobicContact CD2-CG 3.7Å; Y1415-R1423 HydrophobicContact CE2-CG 4.05Å; Y1415-R1423 HydrophobicContact CG-CG 4.5Å; Y1415-R1423 PolarHBondContact O-NE 3.27Å |
| 1416 | I | 78.3 | Confident | 77 | Confident | 110 Ų | 110 | 36.2 Ų | 36.2 | 56% | 0.564 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -69.6 | -28 | 179.4 | -66.8 | 168.1 | 0 | 0 | 0 | 111.9 | N1412 E1413 | N1412-I1416 WeakPolarHBondContact O-CB 3.5Å; N1412-I1416 VanDerWaalsContact O-CG1 3.28Å; N1412-I1416 WeakPolarHBondContact O-CG1 3.39Å; N1412-I1416 PolarHBondContact O-N 3.31Å; N1412-I1416 WeakPolarHBondContact OD1-CD1 3.4Å; E1413-I1416 PolarHBondContact O-N 3.15Å |
| 1417 | N | 72.5 | Confident | 77 | Confident | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -53.1 | 140.7 | 179.7 | -162.3 | -43.1 | 0 | 0 | 0 | 112 | E1413 Y1415 N1419 N1422 R1423 | E1413-N1417 WeakPolarHBondContact O-CB 3.09Å; E1413-N1417 PolarHBondContact O-N 3.29Å; Y1415-N1417 VanDerWaalsContact C-N 3.32Å; Y1415-N1417 PolarHBondContact O-N 3.46Å; N1417-N1419 PolarHBondContact O-N 2.99Å; N1417-N1419 PolarHBondContact OD1-N 3.18Å; N1417-N1419 VanDerWaalsContact OD1-N 3.09Å; N1417-N1422 HydrophobicContact CB-CB 4.47Å; N1417-R1423 PolarHBondContact O-NH2 3.17Å |
| 1418 | M | 60.7 | Low | 77.1 | Confident | 125 Ų | 125 | 36.4 Ų | 36.4 | 62% | 0.616 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -68.3 | -22.1 | 179.4 | -63 | -174.4 | -169.6 | 0 | 0 | 113.1 | Y1180 G1420 | Y1180-M1418 HydrophobicContact CD2-CG 4.45Å; Y1180-M1418 HydrophobicContact CE1-CG 4.34Å; Y1180-M1418 HydrophobicContact CE1-SD 4.04Å; Y1180-M1418 HydrophobicContact CE2-CE 4.1Å; Y1180-M1418 HydrophobicContact CE2-CG 4.05Å; Y1180-M1418 HydrophobicContact CE2-SD 4.33Å; Y1180-M1418 WeakPolarHBondContact OH-CE 3.45Å; M1418-G1420 PolarHBondContact O-N 2.88Å |
| 1419 | N | 66.1 | Low | 77.3 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | trans | -74.7 | 107.2 | 177.3 | -174.4 | -12.6 | 0 | 0 | 0 | 110.9 | N1417 A1421 N1422 R1423 | N1417-N1419 PolarHBondContact O-N 2.99Å; N1417-N1419 PolarHBondContact OD1-N 3.18Å; N1417-N1419 VanDerWaalsContact OD1-N 3.09Å; N1419-A1421 PolarHBondContact O-N 3.25Å; N1419-A1421 WeakPolarHBondContact OD1-CB 3.33Å; N1419-A1421 PolarHBondContact OD1-N 3.44Å; N1419-A1421 VanDerWaalsContact OD1-N 3.11Å; N1419-N1422 PolarHBondContact O-N 3.11Å; N1419-R1423 PolarHBondContact O-N 3.13Å | ||
| 1420 | G | 66.5 | Low | 77.9 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.1 | -29.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1418 N1422 R1423 W1424 | M1418-G1420 PolarHBondContact O-N 2.88Å; G1420-N1422 VanDerWaalsContact C-N 3.31Å; G1420-N1422 PolarHBondContact O-N 3.07Å; G1420-R1423 PolarHBondContact O-N 3.49Å; G1420-W1424 PolarHBondContact O-N 3.3Å |
| 1421 | A | 69.8 | Low | 78.4 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 22% | 0.223 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -28.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1187 N1419 R1425 | F1187-A1421 HydrophobicContact CZ-CB 4.46Å; N1419-A1421 PolarHBondContact O-N 3.25Å; N1419-A1421 WeakPolarHBondContact OD1-CB 3.33Å; N1419-A1421 PolarHBondContact OD1-N 3.44Å; N1419-A1421 VanDerWaalsContact OD1-N 3.11Å; A1421-R1425 WeakPolarHBondContact O-CD 3.14Å; A1421-R1425 VanDerWaalsContact O-CG 3.29Å; A1421-R1425 WeakPolarHBondContact O-CG 3.5Å; A1421-R1425 PolarHBondContact O-N 2.84Å |
| 1422 | N | 74.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78.3 | -37.6 | 172.7 | -75.2 | -16.6 | 0 | 0 | 0 | 111.4 | W1414 N1417 N1419 G1420 W1424 R1425 T1426 | W1414-N1422 HydrophobicContact CB-CB 4.19Å; W1414-N1422 HydrophobicContact CG-CB 4.41Å; W1414-N1422 CarbonylContact O-C 3.45Å; W1414-N1422 VanDerWaalsContact O-C 3.31Å; N1417-N1422 HydrophobicContact CB-CB 4.47Å; N1419-N1422 PolarHBondContact O-N 3.11Å; G1420-N1422 VanDerWaalsContact C-N 3.31Å; G1420-N1422 PolarHBondContact O-N 3.07Å; N1422-W1424 PolarHBondContact O-N 3.22Å; N1422-R1425 WeakPolarHBondContact O-CB 3.17Å; N1422-R1425 PolarHBondContact O-N 3.11Å; N1422-R1425 PolarHBondContact OD1-NH1 2.67Å; N1422-T1426 PolarHBondContact O-N 3.41Å |
| 1423 | R | 78.7 | Confident | 78.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 174.7 | -168.3 | 177.8 | -59.3 | 147.5 | 8.6 | 111.8 | L1177 Y1180 W1414 Y1415 N1417 N1419 G1420 T1426 I1427 | L1177-R1423 VanDerWaalsContact CD2-CZ 3.48Å; Y1180-R1423 PolarHBondContact O-NH1 2.94Å; W1414-R1423 PolarHBondContact O-N 3.21Å; Y1415-R1423 HydrophobicContact CD2-CG 3.7Å; Y1415-R1423 HydrophobicContact CE2-CG 4.05Å; Y1415-R1423 HydrophobicContact CG-CG 4.5Å; Y1415-R1423 PolarHBondContact O-NE 3.27Å; N1417-R1423 PolarHBondContact O-NH2 3.17Å; N1419-R1423 PolarHBondContact O-N 3.13Å; G1420-R1423 PolarHBondContact O-N 3.49Å; R1423-T1426 PolarHBondContact O-N 3.23Å; R1423-I1427 HydrophobicContact CG-CD1 4.4Å; R1423-I1427 PolarHBondContact O-N 2.71Å |
| 1424 | W | 78.3 | Confident | 79.3 | Confident | 43 Ų | 43 | 33.4 Ų | 33.4 | 16% | 0.163 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 174.8 | -175.4 | -103.7 | 0 | 0 | 0 | 112.5 | L1184 G1420 N1422 T1426 I1427 D1428 I1431 H2116 | L1184-W1424 HydrophobicContact CD2-CE3 3.89Å; G1420-W1424 PolarHBondContact O-N 3.3Å; N1422-W1424 PolarHBondContact O-N 3.22Å; W1424-T1426 VanDerWaalsContact C-N 3.28Å; W1424-T1426 PolarHBondContact O-N 3.21Å; W1424-I1427 HydrophobicContact CE3-CB 4.28Å; W1424-I1427 HydrophobicContact CE3-CD1 4.25Å; W1424-I1427 HydrophobicContact CE3-CG2 4.18Å; W1424-I1427 HydrophobicContact CH2-CG2 4.38Å; W1424-I1427 HydrophobicContact CZ3-CB 4.49Å; W1424-I1427 HydrophobicContact CZ3-CG2 3.89Å; W1424-I1427 PolarHBondContact O-N 2.7Å; W1424-D1428 WeakPolarHBondContact O-CB 3.3Å; W1424-D1428 PolarHBondContact O-N 3.02Å; W1424-I1431 HydrophobicContact CH2-CD1 4.48Å; W1424-H2116 AromaticContact CD1-NE2 3.65Å; W1424-H2116 AromaticContact NE1-NE2 3.74Å |
| 1425 | R | 79.6 | Confident | 79.7 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.7 | -38.7 | 174.1 | -76.1 | 164.4 | 169.9 | 161.9 | -5.3 | 112.8 | W1414 A1421 N1422 Y1429 | W1414-R1425 HydrophobicContact CE3-CB 4.4Å; A1421-R1425 WeakPolarHBondContact O-CD 3.14Å; A1421-R1425 VanDerWaalsContact O-CG 3.29Å; A1421-R1425 WeakPolarHBondContact O-CG 3.5Å; A1421-R1425 PolarHBondContact O-N 2.84Å; N1422-R1425 WeakPolarHBondContact O-CB 3.17Å; N1422-R1425 PolarHBondContact O-N 3.11Å; N1422-R1425 PolarHBondContact OD1-NH1 2.67Å; R1425-Y1429 WeakPolarHBondContact O-CB 3.25Å; R1425-Y1429 PolarHBondContact O-N 2.78Å; R1425-Y1429 VanDerWaalsContact O-N 3.17Å |
| 1426 | T | 83 | Confident | 80.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | I1143 L1411 W1414 N1422 R1423 W1424 W1430 | I1143-T1426 HydrophobicContact CD1-CG2 4.27Å; L1411-T1426 HydrophobicContact CB-CG2 4.16Å; L1411-T1426 HydrophobicContact CD2-CG2 4.3Å; L1411-T1426 PolarHBondContact O-OG1 3.04Å; W1414-T1426 WeakPolarHBondContact CB-OG1 3.33Å; N1422-T1426 PolarHBondContact O-N 3.41Å; R1423-T1426 PolarHBondContact O-N 3.23Å; W1424-T1426 VanDerWaalsContact C-N 3.28Å; W1424-T1426 PolarHBondContact O-N 3.21Å; T1426-W1430 PolarHBondContact O-N 3.42Å |
| 1427 | I | 84.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -50.7 | 177.7 | -66.8 | 162.6 | 0 | 0 | 0 | 111.1 | I1143 V1170 I1172 L1184 R1423 W1424 Y1429 W1430 I1431 | I1143-I1427 HydrophobicContact CD1-CG1 3.73Å; V1170-I1427 HydrophobicContact CG1-CG2 4.2Å; I1172-I1427 HydrophobicContact CD1-CD1 4.22Å; L1184-I1427 HydrophobicContact CD1-CD1 4.45Å; L1184-I1427 HydrophobicContact CD2-CD1 3.86Å; R1423-I1427 HydrophobicContact CG-CD1 4.4Å; R1423-I1427 PolarHBondContact O-N 2.71Å; W1424-I1427 HydrophobicContact CE3-CB 4.28Å; W1424-I1427 HydrophobicContact CE3-CD1 4.25Å; W1424-I1427 HydrophobicContact CE3-CG2 4.18Å; W1424-I1427 HydrophobicContact CH2-CG2 4.38Å; W1424-I1427 HydrophobicContact CZ3-CB 4.49Å; W1424-I1427 HydrophobicContact CZ3-CG2 3.89Å; W1424-I1427 PolarHBondContact O-N 2.7Å; I1427-Y1429 VanDerWaalsContact C-N 3.31Å; I1427-Y1429 PolarHBondContact O-N 3.4Å; I1427-W1430 PolarHBondContact O-N 2.66Å; I1427-I1431 HydrophobicContact CG2-CD1 3.71Å; I1427-I1431 HydrophobicContact CG2-CG1 4.33Å; I1427-I1431 WeakPolarHBondContact O-CG1 3.44Å; I1427-I1431 PolarHBondContact O-N 3.14Å |
| 1428 | D | 82.5 | Confident | 81.7 | Confident | 55 Ų | 55 | 25 Ų | 25 | 29% | 0.294 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -57 | -41.5 | 178.5 | 179.8 | 73.2 | 0 | 0 | 0 | 112.4 | W1424 W1430 I1431 R1432 | W1424-D1428 WeakPolarHBondContact O-CB 3.3Å; W1424-D1428 PolarHBondContact O-N 3.02Å; D1428-W1430 PolarHBondContact O-N 2.81Å; D1428-I1431 PolarHBondContact O-N 3.01Å; D1428-R1432 WeakPolarHBondContact O-CB 3.4Å; D1428-R1432 PolarHBondContact O-N 2.77Å |
| 1429 | Y | 86.5 | Confident | 83.1 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 7% | 0.067 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.6 | -47.2 | 175.6 | 178.2 | -99.3 | 0 | 0 | 0 | 112.7 | M1403 Y1406 L1411 R1425 I1427 R1432 R1433 | M1403-Y1429 HydrophobicContact CE-CE2 4.48Å; Y1406-Y1429 AromaticContact CD2-CD2 3.78Å; Y1406-Y1429 HydrophobicContact CD2-CD2 3.78Å; Y1406-Y1429 AromaticContact CD2-CE2 3.75Å; Y1406-Y1429 HydrophobicContact CD2-CE2 3.75Å; Y1406-Y1429 HydrophobicContact CD2-CG 4.43Å; Y1406-Y1429 HydrophobicContact CE2-CD2 4.03Å; Y1406-Y1429 HydrophobicContact CE2-CE2 4.28Å; L1411-Y1429 HydrophobicContact CD1-CD1 3.93Å; L1411-Y1429 HydrophobicContact CD1-CE1 3.63Å; L1411-Y1429 HydrophobicContact CD2-CD1 3.98Å; L1411-Y1429 HydrophobicContact CD2-CE1 4.37Å; L1411-Y1429 HydrophobicContact CD2-CG 4.28Å; R1425-Y1429 WeakPolarHBondContact O-CB 3.25Å; R1425-Y1429 PolarHBondContact O-N 2.78Å; R1425-Y1429 VanDerWaalsContact O-N 3.17Å; I1427-Y1429 VanDerWaalsContact C-N 3.31Å; I1427-Y1429 PolarHBondContact O-N 3.4Å; Y1429-R1432 PolarHBondContact O-N 3.17Å; Y1429-R1433 WeakPolarHBondContact O-CG 3.48Å; Y1429-R1433 PolarHBondContact O-N 3.45Å; Y1429-R1433 PolarHBondContact OH-NH1 3.5Å; Y1429-R1433 VanDerWaalsContact OH-NH1 3.15Å |
| 1430 | W | 89.8 | Confident | 84.2 | Confident | 13 Ų | 13 | 18.5 Ų | 18.5 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75.2 | -33.6 | 179.6 | -68.5 | 114.9 | 0 | 0 | 0 | 113 | E1095 L1096 H1097 C1145 F1408 L1411 T1426 I1427 D1428 R1433 S1434 | E1095-W1430 HydrophobicContact CB-CE3 3.92Å; E1095-W1430 HydrophobicContact CB-CZ3 4.4Å; L1096-W1430 WeakPolarHBondContact O-CH2 3.39Å; H1097-W1430 HydrophobicContact CB-CG 4.45Å; H1097-W1430 AromaticContact CG-NE1 3.56Å; H1097-W1430 AromaticContact ND1-NE1 3.58Å; C1145-W1430 HydrophobicContact CB-CB 4.48Å; F1408-W1430 HydrophobicContact CE1-CH2 4.24Å; F1408-W1430 HydrophobicContact CE1-CZ2 4.47Å; L1411-W1430 HydrophobicContact CD1-CZ2 3.88Å; T1426-W1430 PolarHBondContact O-N 3.42Å; I1427-W1430 PolarHBondContact O-N 2.66Å; D1428-W1430 PolarHBondContact O-N 2.81Å; W1430-R1433 PolarHBondContact O-N 3.08Å; W1430-S1434 PolarHBondContact O-N 2.85Å; W1430-S1434 VanDerWaalsContact O-N 3.1Å |
| 1431 | I | 88.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 18.5 Ų | 18.5 | 9% | 0.087 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.8 | -50.4 | 168.7 | -72.8 | 171.5 | 0 | 0 | 0 | 110.3 | L1168 V1170 P1201 W1424 I1427 D1428 R1433 S1434 I1435 | L1168-I1431 HydrophobicContact CD2-CG1 4.33Å; L1168-I1431 HydrophobicContact CD2-CG2 3.65Å; V1170-I1431 HydrophobicContact CG2-CD1 3.91Å; V1170-I1431 HydrophobicContact CG2-CG1 3.84Å; P1201-I1431 HydrophobicContact CB-CD1 4.4Å; W1424-I1431 HydrophobicContact CH2-CD1 4.48Å; I1427-I1431 HydrophobicContact CG2-CD1 3.71Å; I1427-I1431 HydrophobicContact CG2-CG1 4.33Å; I1427-I1431 WeakPolarHBondContact O-CG1 3.44Å; I1427-I1431 PolarHBondContact O-N 3.14Å; D1428-I1431 PolarHBondContact O-N 3.01Å; I1431-R1433 VanDerWaalsContact C-N 3.33Å; I1431-R1433 PolarHBondContact O-N 3.24Å; I1431-S1434 PolarHBondContact O-N 2.86Å; I1431-I1435 HydrophobicContact CG2-CD1 3.85Å; I1431-I1435 PolarHBondContact O-N 3.38Å; I1431-I1435 VanDerWaalsContact O-N 3.13Å |
| 1432 | R | 85.9 | Confident | 86 | Confident | 37 Ų | 37 | 21.1 Ų | 21.1 | 14% | 0.14 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | -177.8 | -169.9 | 170.7 | -179.2 | -172.7 | -3.8 | 111.9 | E1401 M1403 D1428 Y1429 V1436 | E1401-R1432 IonicContact OE2-CZ 2.84Å; E1401-R1432 IonicContact OE2-NE 3.04Å; E1401-R1432 IonicContact OE2-NH2 2.67Å; E1401-R1432 PolarHBondContact OE2-NH2 3.14Å; M1403-R1432 HydrophobicContact CE-CB 4.34Å; M1403-R1432 HydrophobicContact CE-CG 4.21Å; D1428-R1432 WeakPolarHBondContact O-CB 3.4Å; D1428-R1432 PolarHBondContact O-N 2.77Å; Y1429-R1432 PolarHBondContact O-N 3.17Å; R1432-V1436 HydrophobicContact CG-CG2 4.32Å; R1432-V1436 VanDerWaalsContact O-CB 3.22Å; R1432-V1436 WeakPolarHBondContact O-CB 3.49Å; R1432-V1436 WeakPolarHBondContact O-CG2 3.31Å; R1432-V1436 PolarHBondContact O-N 2.05Å |
| 1433 | R | 90 | Very high | 86.5 | Confident | 29 Ų | 29 | 22.9 Ų | 22.9 | 11% | 0.109 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 174.1 | -67.8 | 178.9 | 82.1 | 90.3 | -3.9 | 112.3 | E1095 E1392 M1403 Y1429 W1430 I1431 I1435 V1436 N1437 | E1095-R1433 HydrophobicContact CG-CB 3.84Å; E1095-R1433 IonicContact OE2-NE 3.26Å; E1095-R1433 PolarHBondContact OE2-NE 3.24Å; E1392-R1433 IonicContact OE1-CZ 3.21Å; E1392-R1433 IonicContact OE1-NH1 3.37Å; E1392-R1433 PolarHBondContact OE1-NH1 2.97Å; M1403-R1433 HydrophobicContact CE-CG 3.49Å; M1403-R1433 VanDerWaalsContact CE-CG 3.49Å; Y1429-R1433 WeakPolarHBondContact O-CG 3.48Å; Y1429-R1433 PolarHBondContact O-N 3.45Å; Y1429-R1433 PolarHBondContact OH-NH1 3.5Å; Y1429-R1433 VanDerWaalsContact OH-NH1 3.15Å; W1430-R1433 PolarHBondContact O-N 3.08Å; I1431-R1433 VanDerWaalsContact C-N 3.33Å; I1431-R1433 PolarHBondContact O-N 3.24Å; R1433-I1435 PolarHBondContact O-N 3.28Å; R1433-V1436 PolarHBondContact O-N 2.83Å; R1433-V1436 VanDerWaalsContact O-N 3.16Å; R1433-N1437 PolarHBondContact O-N 3.41Å; R1433-N1437 VanDerWaalsContact O-N 3.16Å |
| 1434 | S | 89.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | -178.3 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | S1093 C1145 S1147 W1430 I1431 | S1093-S1434 PolarHBondContact O-OG 2.9Å; S1093-S1434 VanDerWaalsContact O-OG 3.11Å; S1093-S1434 PolarHBondContact OG-O 3.16Å; C1145-S1434 PolarHBondContact O-OG 3.34Å; C1145-S1434 VanDerWaalsContact O-OG 3.07Å; S1147-S1434 PolarHBondContact OG-O 2.98Å; S1147-S1434 PolarHBondContact OG-OG 3.22Å; W1430-S1434 PolarHBondContact O-N 2.85Å; W1430-S1434 VanDerWaalsContact O-N 3.1Å; I1431-S1434 PolarHBondContact O-N 2.86Å |
| 1435 | I | 88.8 | Confident | 87.2 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 175.5 | -62.1 | 171.1 | 0 | 0 | 0 | 111.9 | L1168 L1196 I1199 I1431 R1433 N1437 L1438 R1439 | L1168-I1435 HydrophobicContact CD2-CD1 4.19Å; L1196-I1435 HydrophobicContact CD2-CG2 4.21Å; I1199-I1435 HydrophobicContact CD1-CD1 4.24Å; I1199-I1435 HydrophobicContact CD1-CG2 4.35Å; I1431-I1435 HydrophobicContact CG2-CD1 3.85Å; I1431-I1435 PolarHBondContact O-N 3.38Å; I1431-I1435 VanDerWaalsContact O-N 3.13Å; R1433-I1435 PolarHBondContact O-N 3.28Å; I1435-N1437 VanDerWaalsContact C-N 3.3Å; I1435-N1437 PolarHBondContact O-N 2.76Å; I1435-L1438 PolarHBondContact O-N 3.11Å; I1435-L1438 VanDerWaalsContact O-N 3.15Å; I1435-R1439 HydrophobicContact CG2-CG 4.29Å; I1435-R1439 PolarHBondContact O-N 2.68Å |
| 1436 | V | 90.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | -179.6 | 151.6 | 0 | 0 | 0 | 0 | 111.9 | V1391 V1395 R1432 R1433 L1438 R1439 L1440 | V1391-V1436 HydrophobicContact CG1-CG1 4.07Å; V1395-V1436 HydrophobicContact CG2-CG1 3.37Å; V1395-V1436 HydrophobicContact CG2-CG2 4.45Å; R1432-V1436 HydrophobicContact CG-CG2 4.32Å; R1432-V1436 VanDerWaalsContact O-CB 3.22Å; R1432-V1436 WeakPolarHBondContact O-CB 3.49Å; R1432-V1436 WeakPolarHBondContact O-CG2 3.31Å; R1432-V1436 PolarHBondContact O-N 2.05Å; R1433-V1436 PolarHBondContact O-N 2.83Å; R1433-V1436 VanDerWaalsContact O-N 3.16Å; V1436-L1438 VanDerWaalsContact C-N 3.29Å; V1436-L1438 PolarHBondContact O-N 2.89Å; V1436-R1439 PolarHBondContact O-N 3.42Å; V1436-L1440 HydrophobicContact CG1-CD1 3.66Å; V1436-L1440 HydrophobicContact CG1-CG 4.15Å; V1436-L1440 WeakPolarHBondContact O-CB 3.14Å; V1436-L1440 VanDerWaalsContact O-CG 3.31Å; V1436-L1440 WeakPolarHBondContact O-CG 3.42Å; V1436-L1440 PolarHBondContact O-N 3.13Å |
| 1437 | N | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 176 | -66.9 | -23.2 | 0 | 0 | 0 | 111.7 | S1093 E1095 F1376 R1433 I1435 L1441 | S1093-N1437 WeakPolarHBondContact OG-CB 3.49Å; S1093-N1437 PolarHBondContact OG-ND2 3.14Å; E1095-N1437 PolarHBondContact OE1-ND2 2.75Å; F1376-N1437 HydrophobicContact CD1-CB 4.39Å; F1376-N1437 WeakPolarHBondContact CE1-O 3.36Å; R1433-N1437 PolarHBondContact O-N 3.41Å; R1433-N1437 VanDerWaalsContact O-N 3.16Å; I1435-N1437 VanDerWaalsContact C-N 3.3Å; I1435-N1437 PolarHBondContact O-N 2.76Å; N1437-L1441 WeakPolarHBondContact O-CB 3.42Å; N1437-L1441 PolarHBondContact O-N 2.98Å; N1437-L1441 VanDerWaalsContact O-N 3.14Å |
| 1438 | L | 90.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 178 | -59.7 | -179.8 | 0 | 0 | 0 | 112.3 | V1091 S1147 L1149 I1166 I1229 I1435 V1436 L1441 N1442 | V1091-L1438 HydrophobicContact CB-CD2 4.26Å; V1091-L1438 HydrophobicContact CG1-CD2 3.9Å; S1147-L1438 WeakPolarHBondContact OG-CD1 3.26Å; L1149-L1438 HydrophobicContact CB-CD1 4.24Å; L1149-L1438 HydrophobicContact CB-CD2 4.19Å; I1166-L1438 HydrophobicContact CD1-CB 4.45Å; I1166-L1438 HydrophobicContact CD1-CD1 4.31Å; I1166-L1438 HydrophobicContact CG1-CD1 4.35Å; I1166-L1438 HydrophobicContact CG2-CD1 4.09Å; I1229-L1438 HydrophobicContact CG2-CD2 4.44Å; I1435-L1438 PolarHBondContact O-N 3.11Å; I1435-L1438 VanDerWaalsContact O-N 3.15Å; V1436-L1438 VanDerWaalsContact C-N 3.29Å; V1436-L1438 PolarHBondContact O-N 2.89Å; L1438-L1441 PolarHBondContact O-N 2.91Å; L1438-N1442 PolarHBondContact O-N 3.19Å; L1438-N1442 VanDerWaalsContact O-N 3.16Å |
| 1439 | R | 88.8 | Confident | 88.1 | Confident | 73 Ų | 73 | 23.9 Ų | 23.9 | 28% | 0.275 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 175.9 | -72.8 | -179.5 | 62.6 | -159.4 | -2.3 | 112 | L1399 E1401 I1435 V1436 L1441 N1442 T1443 | L1399-R1439 HydrophobicContact CD1-CB 4.33Å; E1401-R1439 IonicContact OE1-CZ 3.28Å; E1401-R1439 IonicContact OE1-NH1 2.66Å; E1401-R1439 PolarHBondContact OE1-NH1 2.95Å; E1401-R1439 IonicContact OE1-NH2 3.97Å; E1401-R1439 PolarHBondContact OE1-NH2 3.43Å; E1401-R1439 IonicContact OE2-NH1 3.04Å; I1435-R1439 HydrophobicContact CG2-CG 4.29Å; I1435-R1439 PolarHBondContact O-N 2.68Å; V1436-R1439 PolarHBondContact O-N 3.42Å; R1439-L1441 VanDerWaalsContact C-N 3.33Å; R1439-L1441 PolarHBondContact O-N 3.08Å; R1439-N1442 PolarHBondContact O-N 3.4Å; R1439-T1443 PolarHBondContact O-N 2.62Å; R1439-T1443 PolarHBondContact O-OG1 3.12Å |
| 1440 | L | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 178.4 | -70.4 | 170.7 | 0 | 0 | 0 | 111.8 | F1376 V1394 V1395 L1398 L1399 V1436 N1442 T1443 L1444 | F1376-L1440 HydrophobicContact CE1-CB 3.67Å; F1376-L1440 HydrophobicContact CE1-CD1 4.1Å; F1376-L1440 HydrophobicContact CZ-CB 3.7Å; V1394-L1440 HydrophobicContact CG1-CD1 4.06Å; V1394-L1440 HydrophobicContact CG1-CD2 4.1Å; V1395-L1440 HydrophobicContact CG2-CD1 4.15Å; L1398-L1440 HydrophobicContact CB-CD2 3.95Å; L1398-L1440 HydrophobicContact CD1-CD2 3.71Å; L1399-L1440 HydrophobicContact CD1-CD2 3.76Å; L1399-L1440 HydrophobicContact CD1-CG 4.13Å; L1399-L1440 HydrophobicContact CD2-CD2 4.29Å; L1399-L1440 HydrophobicContact CG-CD2 3.72Å; V1436-L1440 HydrophobicContact CG1-CD1 3.66Å; V1436-L1440 HydrophobicContact CG1-CG 4.15Å; V1436-L1440 WeakPolarHBondContact O-CB 3.14Å; V1436-L1440 VanDerWaalsContact O-CG 3.31Å; V1436-L1440 WeakPolarHBondContact O-CG 3.42Å; V1436-L1440 PolarHBondContact O-N 3.13Å; L1440-N1442 VanDerWaalsContact C-N 3.31Å; L1440-N1442 PolarHBondContact O-N 2.62Å; L1440-T1443 PolarHBondContact O-N 3.18Å; L1440-L1444 WeakPolarHBondContact O-CG 3.36Å; L1440-L1444 PolarHBondContact O-N 3.49Å; L1440-L1444 VanDerWaalsContact O-N 3.12Å |
| 1441 | L | 88.4 | Confident | 88.3 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 176.2 | 174.8 | 149.1 | 0 | 0 | 0 | 112.2 | V1091 L1149 I1229 F1376 N1437 L1438 R1439 D1445 L1446 I1447 | V1091-L1441 HydrophobicContact CG1-CD1 4.48Å; L1149-L1441 HydrophobicContact CD2-CD2 4.38Å; I1229-L1441 HydrophobicContact CD1-CD1 3.77Å; F1376-L1441 HydrophobicContact CZ-CB 4.21Å; N1437-L1441 WeakPolarHBondContact O-CB 3.42Å; N1437-L1441 PolarHBondContact O-N 2.98Å; N1437-L1441 VanDerWaalsContact O-N 3.14Å; L1438-L1441 PolarHBondContact O-N 2.91Å; R1439-L1441 VanDerWaalsContact C-N 3.33Å; R1439-L1441 PolarHBondContact O-N 3.08Å; L1441-D1445 PolarHBondContact O-N 2.95Å; L1441-L1446 HydrophobicContact CG-CB 4.39Å; L1441-L1446 PolarHBondContact O-N 3.02Å; L1441-I1447 HydrophobicContact CD1-CD1 4.21Å; L1441-I1447 HydrophobicContact CD1-CG1 4.35Å; L1441-I1447 HydrophobicContact CD2-CD1 3.81Å; L1441-I1447 HydrophobicContact CD2-CG1 4.07Å; L1441-I1447 HydrophobicContact CG-CD1 4.5Å; L1441-I1447 HydrophobicContact CG-CG1 4.45Å |
| 1442 | N | 83.9 | Confident | 88.2 | Confident | 83 Ų | 83 | 22 Ų | 22 | 44% | 0.444 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -73.2 | -38.8 | 175.5 | -171.3 | 63.3 | 0 | 0 | 0 | 112.4 | L1438 R1439 L1440 L1444 D1445 | L1438-N1442 PolarHBondContact O-N 3.19Å; L1438-N1442 VanDerWaalsContact O-N 3.16Å; R1439-N1442 PolarHBondContact O-N 3.4Å; L1440-N1442 VanDerWaalsContact C-N 3.31Å; L1440-N1442 PolarHBondContact O-N 2.62Å; N1442-L1444 VanDerWaalsContact C-N 3.27Å; N1442-L1444 PolarHBondContact O-N 2.9Å; N1442-D1445 PolarHBondContact O-N 3.27Å |
| 1443 | T | 86.6 | Confident | 88.4 | Confident | 62 Ų | 62 | 21.2 Ų | 21.2 | 38% | 0.38 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.9 | -29.3 | 177.1 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | L1399 R1439 L1440 | L1399-T1443 HydrophobicContact CD2-CG2 4.22Å; L1399-T1443 WeakPolarHBondContact CD2-OG1 3.41Å; R1439-T1443 PolarHBondContact O-N 2.62Å; R1439-T1443 PolarHBondContact O-OG1 3.12Å; L1440-T1443 PolarHBondContact O-N 3.18Å |
| 1444 | L | 86.3 | Confident | 88.4 | Confident | 23 Ų | 23 | 19.8 Ų | 19.8 | 12% | 0.12 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2 | 177.6 | -67.9 | 172.5 | 0 | 0 | 0 | 114.3 | L1380 I1384 L1398 L1440 N1442 L1446 R1449 | L1380-L1444 HydrophobicContact CD2-CD1 3.49Å; L1380-L1444 VanDerWaalsContact CD2-CD1 3.49Å; I1384-L1444 HydrophobicContact CD1-CD2 4.27Å; L1398-L1444 HydrophobicContact CD1-CD1 3.98Å; L1398-L1444 HydrophobicContact CD1-CD2 4.05Å; L1398-L1444 HydrophobicContact CD1-CG 4.05Å; L1398-L1444 HydrophobicContact CD2-CD2 3.87Å; L1440-L1444 WeakPolarHBondContact O-CG 3.36Å; L1440-L1444 PolarHBondContact O-N 3.49Å; L1440-L1444 VanDerWaalsContact O-N 3.12Å; N1442-L1444 VanDerWaalsContact C-N 3.27Å; N1442-L1444 PolarHBondContact O-N 2.9Å; L1444-L1446 PolarHBondContact O-N 2.84Å; L1444-R1449 PolarHBondContact O-NH2 2.69Å |
| 1445 | D | 84.9 | Confident | 88.3 | Confident | 49 Ų | 49 | 21.6 Ų | 21.6 | 26% | 0.262 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 38.6 | 44.2 | -168.8 | -159.3 | -7.9 | 0 | 0 | 0 | 113.1 | L1441 N1442 I1447 G1448 R1449 | L1441-D1445 PolarHBondContact O-N 2.95Å; N1442-D1445 PolarHBondContact O-N 3.27Å; D1445-I1447 VanDerWaalsContact C-N 3.3Å; D1445-I1447 PolarHBondContact O-N 3.37Å; D1445-G1448 PolarHBondContact O-N 2.81Å; D1445-G1448 VanDerWaalsContact OD1-CA 3.3Å; D1445-G1448 WeakPolarHBondContact OD1-CA 3.45Å; D1445-G1448 PolarHBondContact OD1-N 2.9Å; D1445-R1449 VanDerWaalsContact O-CB 3.25Å; D1445-R1449 WeakPolarHBondContact O-CB 3.28Å; D1445-R1449 PolarHBondContact O-N 3.49Å |
| 1446 | L | 86.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | -167.3 | 179.2 | 64.7 | 0 | 0 | 0 | 111.2 | F1376 I1379 L1441 L1444 T1450 L1465 | F1376-L1446 HydrophobicContact CE2-CD2 4.19Å; I1379-L1446 HydrophobicContact CD1-CD2 4.15Å; I1379-L1446 HydrophobicContact CG2-CD1 3.8Å; I1379-L1446 HydrophobicContact CG2-CD2 3.93Å; L1441-L1446 HydrophobicContact CG-CB 4.39Å; L1441-L1446 PolarHBondContact O-N 3.02Å; L1444-L1446 PolarHBondContact O-N 2.84Å; L1446-T1450 WeakPolarHBondContact O-CB 3.42Å; L1446-T1450 PolarHBondContact O-N 2.88Å; L1446-T1450 VanDerWaalsContact O-N 3.13Å; L1446-T1450 PolarHBondContact O-OG1 2.75Å; L1446-L1465 HydrophobicContact CD1-CD2 4.24Å |
| 1447 | I | 87.7 | Confident | 88.2 | Confident | 17 Ų | 17 | 21.1 Ų | 21.1 | 9% | 0.087 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.1 | -44.1 | 179.4 | -65.3 | -179.3 | 0 | 0 | 0 | 111.4 | T1089 V1091 I1227 L1441 D1445 S1451 F1461 | T1089-I1447 HydrophobicContact CG2-CD1 4.24Å; T1089-I1447 HydrophobicContact CG2-CG2 4.03Å; V1091-I1447 HydrophobicContact CG2-CD1 3.45Å; V1091-I1447 VanDerWaalsContact CG2-CD1 3.45Å; I1227-I1447 HydrophobicContact CD1-CD1 3.76Å; I1227-I1447 HydrophobicContact CD1-CG1 4.1Å; L1441-I1447 HydrophobicContact CD1-CD1 4.21Å; L1441-I1447 HydrophobicContact CD1-CG1 4.35Å; L1441-I1447 HydrophobicContact CD2-CD1 3.81Å; L1441-I1447 HydrophobicContact CD2-CG1 4.07Å; L1441-I1447 HydrophobicContact CG-CD1 4.5Å; L1441-I1447 HydrophobicContact CG-CG1 4.45Å; D1445-I1447 VanDerWaalsContact C-N 3.3Å; D1445-I1447 PolarHBondContact O-N 3.37Å; I1447-S1451 VanDerWaalsContact O-CB 3.28Å; I1447-S1451 WeakPolarHBondContact O-CB 3.46Å; I1447-S1451 PolarHBondContact O-N 3.49Å; I1447-S1451 PolarHBondContact O-OG 2.96Å; I1447-F1461 HydrophobicContact CG1-CZ 4.35Å; I1447-F1461 HydrophobicContact CG2-CE2 4.26Å |
| 1448 | G | 84.7 | Confident | 88 | Confident | 23 Ų | 23 | 21.1 Ų | 21.1 | 24% | 0.237 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -52.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1445 T1450 S1451 E1452 | D1445-G1448 PolarHBondContact O-N 2.81Å; D1445-G1448 VanDerWaalsContact OD1-CA 3.3Å; D1445-G1448 WeakPolarHBondContact OD1-CA 3.45Å; D1445-G1448 PolarHBondContact OD1-N 2.9Å; G1448-T1450 PolarHBondContact O-N 3.1Å; G1448-S1451 WeakPolarHBondContact O-CB 3.48Å; G1448-S1451 PolarHBondContact O-N 3.19Å; G1448-S1451 VanDerWaalsContact O-N 3.08Å; G1448-E1452 PolarHBondContact O-N 2.96Å |
| 1449 | R | 89.1 | Confident | 88 | Confident | 37 Ų | 37 | 21.1 Ų | 21.1 | 14% | 0.14 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 179 | -175.6 | 166.2 | 50.6 | 105.3 | 19.7 | 112.9 | E1383 L1444 D1445 S1451 E1452 F1453 A1632 | E1383-R1449 IonicContact OE1-CZ 2.76Å; E1383-R1449 IonicContact OE1-NH1 2.76Å; E1383-R1449 PolarHBondContact OE1-NH1 3.44Å; E1383-R1449 IonicContact OE1-NH2 3.81Å; E1383-R1449 PolarHBondContact OE1-NH2 3.45Å; E1383-R1449 IonicContact OE2-CZ 3.59Å; E1383-R1449 IonicContact OE2-NH1 2.69Å; E1383-R1449 PolarHBondContact OE2-NH1 3.24Å; E1383-R1449 IonicContact OE2-NH2 3.18Å; E1383-R1449 PolarHBondContact OE2-NH2 2.95Å; E1383-R1449 VanDerWaalsContact OE2-NH2 3.1Å; L1444-R1449 PolarHBondContact O-NH2 2.69Å; D1445-R1449 VanDerWaalsContact O-CB 3.25Å; D1445-R1449 WeakPolarHBondContact O-CB 3.28Å; D1445-R1449 PolarHBondContact O-N 3.49Å; R1449-S1451 VanDerWaalsContact C-N 3.29Å; R1449-S1451 PolarHBondContact O-N 3.28Å; R1449-E1452 PolarHBondContact O-N 3.15Å; R1449-F1453 HydrophobicContact CG-CD1 4.46Å; R1449-F1453 HydrophobicContact CG-CE1 3.94Å; R1449-F1453 HydrophobicContact CG-CE2 4.04Å; R1449-F1453 HydrophobicContact CG-CZ 3.71Å; R1449-F1453 WeakPolarHBondContact O-CB 3.44Å; R1449-F1453 WeakPolarHBondContact O-CD1 3.3Å; R1449-F1453 VanDerWaalsContact O-CG 3.26Å; R1449-F1453 WeakPolarHBondContact O-CG 3.37Å; R1449-F1453 PolarHBondContact O-N 3Å; R1449-A1632 HydrophobicContact CB-CB 4.08Å; R1449-A1632 HydrophobicContact CG-CB 3.91Å |
| 1450 | T | 91.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 174.7 | -58.2 | 0 | 0 | 0 | 0 | 112 | L1446 G1448 A1454 F1461 V1464 L1465 | L1446-T1450 WeakPolarHBondContact O-CB 3.42Å; L1446-T1450 PolarHBondContact O-N 2.88Å; L1446-T1450 VanDerWaalsContact O-N 3.13Å; L1446-T1450 PolarHBondContact O-OG1 2.75Å; G1448-T1450 PolarHBondContact O-N 3.1Å; T1450-A1454 WeakPolarHBondContact O-CB 3.42Å; T1450-A1454 PolarHBondContact O-N 2.77Å; T1450-F1461 HydrophobicContact CG2-CD1 4.32Å; T1450-F1461 HydrophobicContact CG2-CD2 3.67Å; T1450-F1461 HydrophobicContact CG2-CE1 4.17Å; T1450-F1461 HydrophobicContact CG2-CE2 3.5Å; T1450-F1461 HydrophobicContact CG2-CG 4.08Å; T1450-F1461 HydrophobicContact CG2-CZ 3.76Å; T1450-V1464 HydrophobicContact CG2-CB 3.89Å; T1450-V1464 HydrophobicContact CG2-CG1 3.89Å; T1450-V1464 HydrophobicContact CG2-CG2 4.48Å; T1450-L1465 HydrophobicContact CG2-CD1 4.2Å; T1450-L1465 HydrophobicContact CG2-CD2 4.09Å; T1450-L1465 HydrophobicContact CG2-CG 3.84Å |
| 1451 | S | 89.1 | Confident | 88 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.4 | -40.3 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | M176 I1447 G1448 R1449 A1454 R1455 | M176-S1451 VanDerWaalsContact CE-OG 3.29Å; M176-S1451 WeakPolarHBondContact CE-OG 3.36Å; I1447-S1451 VanDerWaalsContact O-CB 3.28Å; I1447-S1451 WeakPolarHBondContact O-CB 3.46Å; I1447-S1451 PolarHBondContact O-N 3.49Å; I1447-S1451 PolarHBondContact O-OG 2.96Å; G1448-S1451 WeakPolarHBondContact O-CB 3.48Å; G1448-S1451 PolarHBondContact O-N 3.19Å; G1448-S1451 VanDerWaalsContact O-N 3.08Å; R1449-S1451 VanDerWaalsContact C-N 3.29Å; R1449-S1451 PolarHBondContact O-N 3.28Å; S1451-A1454 WeakPolarHBondContact O-CB 3.38Å; S1451-A1454 PolarHBondContact O-N 2.86Å; S1451-R1455 WeakPolarHBondContact O-CD 3.26Å; S1451-R1455 WeakPolarHBondContact O-CG 3.45Å; S1451-R1455 PolarHBondContact O-N 3Å |
| 1452 | E | 86.7 | Confident | 88 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.3 | -40.1 | 172.2 | -65.7 | -53.5 | 102.1 | 0 | 0 | 111.7 | G1448 R1449 A1454 R1455 I1456 L1629 A1632 R1633 | G1448-E1452 PolarHBondContact O-N 2.96Å; R1449-E1452 PolarHBondContact O-N 3.15Å; E1452-A1454 VanDerWaalsContact C-N 3.31Å; E1452-A1454 PolarHBondContact O-N 3.05Å; E1452-R1455 WeakPolarHBondContact O-CB 3.42Å; E1452-R1455 PolarHBondContact O-N 3.45Å; E1452-R1455 VanDerWaalsContact O-N 3.14Å; E1452-R1455 WeakPolarHBondContact OE1-CD 3.3Å; E1452-R1455 IonicContact OE1-CZ 3.09Å; E1452-R1455 IonicContact OE1-NE 2.83Å; E1452-R1455 IonicContact OE1-NH1 2.65Å; E1452-R1455 PolarHBondContact OE1-NH1 3.32Å; E1452-I1456 HydrophobicContact CB-CD1 4.47Å; E1452-I1456 WeakPolarHBondContact O-CD1 3.49Å; E1452-I1456 WeakPolarHBondContact O-CG1 3.11Å; E1452-I1456 PolarHBondContact O-N 3.14Å; E1452-L1629 HydrophobicContact CG-CD1 3.59Å; E1452-L1629 HydrophobicContact CG-CG 4.49Å; E1452-A1632 HydrophobicContact CB-CB 4.37Å; E1452-R1633 HydrophobicContact CB-CG 4.45Å; E1452-R1633 IonicContact OE2-CZ 3.6Å; E1452-R1633 IonicContact OE2-NE 2.79Å; E1452-R1633 PolarHBondContact OE2-NE 3.11Å; E1452-R1633 IonicContact OE2-NH2 3.51Å; E1452-R1633 PolarHBondContact OE2-NH2 3.29Å |
| 1453 | F | 90.7 | Very high | 88.3 | Confident | 19 Ų | 19 | 15.4 Ų | 15.4 | 8% | 0.083 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.9 | -42.8 | 171.4 | -75 | 1.2 | 0 | 0 | 0 | 112.2 | R1449 R1455 I1456 F1457 V1464 A1632 L1635 | R1449-F1453 HydrophobicContact CG-CD1 4.46Å; R1449-F1453 HydrophobicContact CG-CE1 3.94Å; R1449-F1453 HydrophobicContact CG-CE2 4.04Å; R1449-F1453 HydrophobicContact CG-CZ 3.71Å; R1449-F1453 WeakPolarHBondContact O-CB 3.44Å; R1449-F1453 WeakPolarHBondContact O-CD1 3.3Å; R1449-F1453 VanDerWaalsContact O-CG 3.26Å; R1449-F1453 WeakPolarHBondContact O-CG 3.37Å; R1449-F1453 PolarHBondContact O-N 3Å; F1453-R1455 VanDerWaalsContact C-N 3.3Å; F1453-R1455 PolarHBondContact O-N 3.29Å; F1453-I1456 PolarHBondContact O-N 2.92Å; F1453-F1457 HydrophobicContact CB-CD2 4.17Å; F1453-F1457 HydrophobicContact CB-CE2 3.59Å; F1453-F1457 HydrophobicContact CB-CZ 3.88Å; F1453-F1457 HydrophobicContact CD1-CZ 4.04Å; F1453-F1457 HydrophobicContact CD2-CE2 4.19Å; F1453-F1457 HydrophobicContact CD2-CZ 4.3Å; F1453-F1457 AromaticContact CG-CE2 3.88Å; F1453-F1457 HydrophobicContact CG-CE2 3.88Å; F1453-F1457 AromaticContact CG-CZ 3.81Å; F1453-F1457 HydrophobicContact CG-CZ 3.81Å; F1453-F1457 WeakPolarHBondContact O-CB 3.49Å; F1453-F1457 VanDerWaalsContact O-CD2 3.24Å; F1453-F1457 WeakPolarHBondContact O-CD2 3.48Å; F1453-F1457 WeakPolarHBondContact O-CG 3.04Å; F1453-F1457 PolarHBondContact O-N 3.3Å; F1453-V1464 HydrophobicContact CB-CG1 3.55Å; F1453-V1464 HydrophobicContact CB-CG2 4.18Å; F1453-V1464 HydrophobicContact CD2-CG1 3.69Å; F1453-V1464 HydrophobicContact CG-CG1 4.15Å; F1453-A1632 VanDerWaalsContact CE1-O 3.3Å; F1453-A1632 WeakPolarHBondContact CE1-O 3.35Å; F1453-L1635 HydrophobicContact CE1-CB 4.48Å; F1453-L1635 HydrophobicContact CE1-CG 4.37Å; F1453-L1635 HydrophobicContact CZ-CD2 4.04Å; F1453-L1635 HydrophobicContact CZ-CG 4.05Å |
| 1454 | A | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G175 M176 T1450 S1451 E1452 G1458 I1459 V1464 | G175-A1454 CarbonylContact O-C 3.56Å; M176-A1454 HydrophobicContact CB-CB 4.4Å; M176-A1454 HydrophobicContact CG-CB 4.09Å; T1450-A1454 WeakPolarHBondContact O-CB 3.42Å; T1450-A1454 PolarHBondContact O-N 2.77Å; S1451-A1454 WeakPolarHBondContact O-CB 3.38Å; S1451-A1454 PolarHBondContact O-N 2.86Å; E1452-A1454 VanDerWaalsContact C-N 3.31Å; E1452-A1454 PolarHBondContact O-N 3.05Å; A1454-G1458 WeakPolarHBondContact O-CA 3.25Å; A1454-G1458 PolarHBondContact O-N 2.93Å; A1454-I1459 WeakPolarHBondContact CA-O 3.31Å; A1454-I1459 WeakPolarHBondContact CB-O 3.13Å; A1454-I1459 PolarHBondContact O-N 2.85Å; A1454-V1464 HydrophobicContact CB-CG2 3.86Å |
| 1455 | R | 87 | Confident | 88.4 | Confident | 38 Ų | 38 | 14 Ų | 14 | 14% | 0.143 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 176.3 | -69.7 | 161.1 | 172.1 | -167.1 | -10.9 | 113.1 | F174 G175 M176 S1451 E1452 F1453 | F174-R1455 WeakPolarHBondContact CD1-O 3.41Å; G175-R1455 WeakPolarHBondContact O-CG 3.45Å; G175-R1455 PolarHBondContact O-N 3.1Å; M176-R1455 HydrophobicContact CB-CG 4.28Å; M176-R1455 VanDerWaalsContact O-CZ 3.29Å; M176-R1455 PolarHBondContact O-NE 2.77Å; M176-R1455 PolarHBondContact O-NH2 2.81Å; S1451-R1455 WeakPolarHBondContact O-CD 3.26Å; S1451-R1455 WeakPolarHBondContact O-CG 3.45Å; S1451-R1455 PolarHBondContact O-N 3Å; E1452-R1455 WeakPolarHBondContact O-CB 3.42Å; E1452-R1455 PolarHBondContact O-N 3.45Å; E1452-R1455 VanDerWaalsContact O-N 3.14Å; E1452-R1455 WeakPolarHBondContact OE1-CD 3.3Å; E1452-R1455 IonicContact OE1-CZ 3.09Å; E1452-R1455 IonicContact OE1-NE 2.83Å; E1452-R1455 IonicContact OE1-NH1 2.65Å; E1452-R1455 PolarHBondContact OE1-NH1 3.32Å; F1453-R1455 VanDerWaalsContact C-N 3.3Å; F1453-R1455 PolarHBondContact O-N 3.29Å |
| 1456 | I | 87 | Confident | 88.3 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.7 | -44.1 | -179.3 | -62.5 | 156.6 | 0 | 0 | 0 | 110.4 | M256 E1452 F1453 L1476 R1633 L1637 | M256-I1456 HydrophobicContact CE-CG1 3.99Å; M256-I1456 HydrophobicContact SD-CG1 4.13Å; E1452-I1456 HydrophobicContact CB-CD1 4.47Å; E1452-I1456 WeakPolarHBondContact O-CD1 3.49Å; E1452-I1456 WeakPolarHBondContact O-CG1 3.11Å; E1452-I1456 PolarHBondContact O-N 3.14Å; F1453-I1456 PolarHBondContact O-N 2.92Å; I1456-L1476 WeakPolarHBondContact O-CD2 3.5Å; I1456-R1633 HydrophobicContact CD1-CB 4.3Å; I1456-R1633 HydrophobicContact CD1-CG 4.13Å; I1456-L1637 HydrophobicContact CG2-CD2 3.81Å; I1456-L1637 HydrophobicContact CG2-CG 4.33Å |
| 1457 | F | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -83.7 | -17.4 | -175.9 | -49 | -21 | 0 | 0 | 0 | 112.9 | F1453 I1459 V1464 R1472 S1475 L1639 M1640 | F1453-F1457 HydrophobicContact CB-CD2 4.17Å; F1453-F1457 HydrophobicContact CB-CE2 3.59Å; F1453-F1457 HydrophobicContact CB-CZ 3.88Å; F1453-F1457 HydrophobicContact CD1-CZ 4.04Å; F1453-F1457 HydrophobicContact CD2-CE2 4.19Å; F1453-F1457 HydrophobicContact CD2-CZ 4.3Å; F1453-F1457 AromaticContact CG-CE2 3.88Å; F1453-F1457 HydrophobicContact CG-CE2 3.88Å; F1453-F1457 AromaticContact CG-CZ 3.81Å; F1453-F1457 HydrophobicContact CG-CZ 3.81Å; F1453-F1457 WeakPolarHBondContact O-CB 3.49Å; F1453-F1457 VanDerWaalsContact O-CD2 3.24Å; F1453-F1457 WeakPolarHBondContact O-CD2 3.48Å; F1453-F1457 WeakPolarHBondContact O-CG 3.04Å; F1453-F1457 PolarHBondContact O-N 3.3Å; F1457-I1459 HydrophobicContact CB-CD1 4.25Å; F1457-I1459 HydrophobicContact CB-CG1 4.1Å; F1457-I1459 HydrophobicContact CD2-CD1 4.21Å; F1457-V1464 HydrophobicContact CD2-CG2 4.39Å; F1457-V1464 HydrophobicContact CE2-CG1 4.36Å; F1457-R1472 HydrophobicContact CB-CB 4.4Å; F1457-R1472 HydrophobicContact CD2-CB 4.41Å; F1457-R1472 HydrophobicContact CD2-CG 4.16Å; F1457-R1472 HydrophobicContact CG-CB 4.34Å; F1457-S1475 VanDerWaalsContact O-CB 3.27Å; F1457-S1475 WeakPolarHBondContact O-CB 3.36Å; F1457-S1475 PolarHBondContact O-OG 3.1Å; F1457-L1639 HydrophobicContact CZ-CD2 4.46Å; F1457-M1640 HydrophobicContact CD1-CG 3.45Å; F1457-M1640 VanDerWaalsContact CD1-CG 3.45Å; F1457-M1640 HydrophobicContact CD1-SD 3.66Å; F1457-M1640 HydrophobicContact CE1-CG 3.39Å; F1457-M1640 HydrophobicContact CE1-SD 3.81Å; F1457-M1640 HydrophobicContact CG-SD 4.21Å; F1457-M1640 HydrophobicContact CZ-CG 4.38Å; F1457-M1640 HydrophobicContact CZ-SD 4.42Å |
| 1458 | G | 88.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 32.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1454 S1475 R1479 | A1454-G1458 WeakPolarHBondContact O-CA 3.25Å; A1454-G1458 PolarHBondContact O-N 2.93Å; G1458-S1475 PolarHBondContact O-OG 3.27Å; G1458-R1479 PolarHBondContact O-NH1 3.23Å; G1458-R1479 PolarHBondContact O-NH2 2.87Å |
| 1459 | I | 90.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -124.2 | 162.3 | 178.2 | 69.4 | -176.9 | 0 | 0 | 0 | 110.4 | L165 G175 A1454 F1457 H1463 V1464 Y1471 R1472 S1475 | L165-I1459 HydrophobicContact CD1-CG2 4.42Å; G175-I1459 VanDerWaalsContact CA-O 3.3Å; G175-I1459 WeakPolarHBondContact CA-O 3.33Å; G175-I1459 PolarHBondContact N-O 2.89Å; A1454-I1459 WeakPolarHBondContact CA-O 3.31Å; A1454-I1459 WeakPolarHBondContact CB-O 3.13Å; A1454-I1459 PolarHBondContact O-N 2.85Å; F1457-I1459 HydrophobicContact CB-CD1 4.25Å; F1457-I1459 HydrophobicContact CB-CG1 4.1Å; F1457-I1459 HydrophobicContact CD2-CD1 4.21Å; I1459-H1463 HydrophobicContact CB-CB 4.34Å; I1459-H1463 HydrophobicContact CD1-CB 4.15Å; I1459-H1463 HydrophobicContact CG1-CB 4.34Å; I1459-V1464 HydrophobicContact CD1-CG2 4.01Å; I1459-V1464 HydrophobicContact CG1-CG2 3.83Å; I1459-Y1471 HydrophobicContact CB-CE1 4.05Å; I1459-Y1471 HydrophobicContact CD1-CD1 4.16Å; I1459-Y1471 HydrophobicContact CD1-CE1 4.38Å; I1459-Y1471 HydrophobicContact CG2-CD1 4.06Å; I1459-Y1471 HydrophobicContact CG2-CE1 3.77Å; I1459-R1472 HydrophobicContact CD1-CG 4.12Å; I1459-S1475 WeakPolarHBondContact CG2-OG 3.42Å |
| 1460 | E | 89.4 | Confident | 88.2 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -64 | 153.9 | 177.9 | -62.8 | 165 | -105 | 0 | 0 | 113.2 | L13 Y1462 H1463 V1464 | L13-E1460 HydrophobicContact CB-CG 4.46Å; L13-E1460 WeakPolarHBondContact CB-OE2 3.45Å; L13-E1460 HydrophobicContact CD1-CG 3.91Å; L13-E1460 HydrophobicContact CG-CG 3.97Å; L13-E1460 PolarHBondContact N-OE2 2.78Å; E1460-Y1462 VanDerWaalsContact C-N 3.29Å; E1460-Y1462 PolarHBondContact O-N 2.73Å; E1460-H1463 PolarHBondContact O-N 3.32Å; E1460-H1463 IonicContact OE1-CE1 2.75Å; E1460-H1463 PolarHBondContact OE1-CE1 2.95Å; E1460-H1463 IonicContact OE1-ND1 3.25Å; E1460-H1463 PolarHBondContact OE1-ND1 3.3Å; E1460-V1464 PolarHBondContact O-N 3.13Å | ||
| 1461 | F | 90.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -49.5 | -46.1 | -179.8 | -179.8 | -87.2 | 0 | 0 | 0 | 112.9 | F11 M176 I1227 I1447 T1450 H1463 V1464 L1465 | F11-F1461 HydrophobicContact CD2-CB 4.39Å; F11-F1461 HydrophobicContact CD2-CG 4.48Å; F11-F1461 HydrophobicContact CE2-CB 4.23Å; F11-F1461 AromaticContact CE2-CD1 3.87Å; F11-F1461 HydrophobicContact CE2-CD1 3.87Å; F11-F1461 HydrophobicContact CE2-CD2 4.43Å; F11-F1461 HydrophobicContact CE2-CE1 4.36Å; F11-F1461 AromaticContact CE2-CG 3.92Å; F11-F1461 HydrophobicContact CE2-CG 3.92Å; F11-F1461 HydrophobicContact CZ-CD1 4.2Å; M176-F1461 HydrophobicContact CE-CD2 4.23Å; M176-F1461 HydrophobicContact CG-CB 4.24Å; M176-F1461 HydrophobicContact CG-CD2 4.08Å; M176-F1461 HydrophobicContact SD-CB 4.24Å; M176-F1461 HydrophobicContact SD-CD2 4.2Å; I1227-F1461 HydrophobicContact CD1-CE1 3.76Å; I1227-F1461 HydrophobicContact CD1-CZ 3.82Å; I1447-F1461 HydrophobicContact CG1-CZ 4.35Å; I1447-F1461 HydrophobicContact CG2-CE2 4.26Å; T1450-F1461 HydrophobicContact CG2-CD1 4.32Å; T1450-F1461 HydrophobicContact CG2-CD2 3.67Å; T1450-F1461 HydrophobicContact CG2-CE1 4.17Å; T1450-F1461 HydrophobicContact CG2-CE2 3.5Å; T1450-F1461 HydrophobicContact CG2-CG 4.08Å; T1450-F1461 HydrophobicContact CG2-CZ 3.76Å; F1461-H1463 PolarHBondContact O-N 3.28Å; F1461-V1464 WeakPolarHBondContact O-CB 3.39Å; F1461-V1464 PolarHBondContact O-N 3.18Å; F1461-L1465 HydrophobicContact CE1-CD1 4.13Å |
| 1462 | Y | 88.2 | Confident | 88.4 | Confident | 29 Ų | 29 | 21.8 Ų | 21.8 | 11% | 0.114 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.8 | -31 | -180 | -176 | -110 | 0 | 0 | 0 | 113.7 | T1362 G1363 V1372 L1374 E1460 V1464 L1465 S1466 | T1362-Y1462 VanDerWaalsContact C-CE1 3.45Å; T1362-Y1462 VanDerWaalsContact O-CE1 3.23Å; T1362-Y1462 WeakPolarHBondContact O-CE1 3.38Å; T1362-Y1462 PolarHBondContact O-OH 3.49Å; G1363-Y1462 WeakPolarHBondContact CA-OH 3.39Å; V1372-Y1462 HydrophobicContact CG1-CD2 3.54Å; V1372-Y1462 HydrophobicContact CG1-CE2 4.34Å; V1372-Y1462 HydrophobicContact CG1-CG 4.2Å; L1374-Y1462 HydrophobicContact CD2-CD2 4.1Å; L1374-Y1462 HydrophobicContact CD2-CE2 4.03Å; E1460-Y1462 VanDerWaalsContact C-N 3.29Å; E1460-Y1462 PolarHBondContact O-N 2.73Å; Y1462-V1464 VanDerWaalsContact C-N 3.28Å; Y1462-V1464 PolarHBondContact O-N 2.86Å; Y1462-L1465 PolarHBondContact O-N 3.09Å; Y1462-S1466 VanDerWaalsContact CE1-CB 3.48Å; Y1462-S1466 VanDerWaalsContact CE1-OG 3.24Å; Y1462-S1466 WeakPolarHBondContact CE1-OG 3.39Å; Y1462-S1466 VanDerWaalsContact CZ-CB 3.45Å; Y1462-S1466 WeakPolarHBondContact O-CB 3.36Å; Y1462-S1466 PolarHBondContact O-N 2.67Å; Y1462-S1466 PolarHBondContact O-OG 3.16Å; Y1462-S1466 WeakPolarHBondContact OH-CB 3.18Å |
| 1463 | H | 88.6 | Confident | 88.7 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.8 | -23.1 | 179 | -66.8 | 139.1 | 0 | 0 | 0 | 112.4 | I1459 E1460 F1461 L1465 H1467 Y1471 | I1459-H1463 HydrophobicContact CB-CB 4.34Å; I1459-H1463 HydrophobicContact CD1-CB 4.15Å; I1459-H1463 HydrophobicContact CG1-CB 4.34Å; E1460-H1463 PolarHBondContact O-N 3.32Å; E1460-H1463 IonicContact OE1-CE1 2.75Å; E1460-H1463 PolarHBondContact OE1-CE1 2.95Å; E1460-H1463 IonicContact OE1-ND1 3.25Å; E1460-H1463 PolarHBondContact OE1-ND1 3.3Å; F1461-H1463 PolarHBondContact O-N 3.28Å; H1463-L1465 VanDerWaalsContact C-N 3.34Å; H1463-H1467 AromaticContact CD2-CE1 3.27Å; H1463-H1467 PolarHBondContact CD2-CE1 3.19Å; H1463-H1467 AromaticContact CD2-CG 3.93Å; H1463-H1467 AromaticContact CD2-ND1 3.46Å; H1463-H1467 PolarHBondContact CD2-ND1 2.88Å; H1463-H1467 AromaticContact CD2-NE2 3.63Å; H1463-H1467 AromaticContact NE2-CE1 3.77Å; H1463-H1467 AromaticContact NE2-NE2 3.94Å; H1463-H1467 WeakPolarHBondContact O-CB 3.13Å; H1463-H1467 PolarHBondContact O-N 2.79Å; H1463-Y1471 HydrophobicContact CB-CD1 4.3Å; H1463-Y1471 HydrophobicContact CB-CE1 3.7Å; H1463-Y1471 AromaticContact CG-CE1 3.92Å |
| 1464 | V | 89.9 | Confident | 88.8 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 112 | T1450 F1453 A1454 F1457 I1459 E1460 F1461 Y1462 R1472 | T1450-V1464 HydrophobicContact CG2-CB 3.89Å; T1450-V1464 HydrophobicContact CG2-CG1 3.89Å; T1450-V1464 HydrophobicContact CG2-CG2 4.48Å; F1453-V1464 HydrophobicContact CB-CG1 3.55Å; F1453-V1464 HydrophobicContact CB-CG2 4.18Å; F1453-V1464 HydrophobicContact CD2-CG1 3.69Å; F1453-V1464 HydrophobicContact CG-CG1 4.15Å; A1454-V1464 HydrophobicContact CB-CG2 3.86Å; F1457-V1464 HydrophobicContact CD2-CG2 4.39Å; F1457-V1464 HydrophobicContact CE2-CG1 4.36Å; I1459-V1464 HydrophobicContact CD1-CG2 4.01Å; I1459-V1464 HydrophobicContact CG1-CG2 3.83Å; E1460-V1464 PolarHBondContact O-N 3.13Å; F1461-V1464 WeakPolarHBondContact O-CB 3.39Å; F1461-V1464 PolarHBondContact O-N 3.18Å; Y1462-V1464 VanDerWaalsContact C-N 3.28Å; Y1462-V1464 PolarHBondContact O-N 2.86Å; V1464-R1472 PolarHBondContact O-NH2 3.44Å |
| 1465 | L | 86.8 | Confident | 88.9 | Confident | 49 Ų | 49 | 20.8 Ų | 20.8 | 26% | 0.257 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -83.4 | -32.1 | -176.2 | -65.1 | 174.6 | 0 | 0 | 0 | 113.1 | L1374 I1379 L1446 T1450 F1461 Y1462 H1463 | L1374-L1465 HydrophobicContact CD1-CD1 3.99Å; L1374-L1465 HydrophobicContact CD2-CD1 3.8Å; I1379-L1465 HydrophobicContact CD1-CD1 4.35Å; L1446-L1465 HydrophobicContact CD1-CD2 4.24Å; T1450-L1465 HydrophobicContact CG2-CD1 4.2Å; T1450-L1465 HydrophobicContact CG2-CD2 4.09Å; T1450-L1465 HydrophobicContact CG2-CG 3.84Å; F1461-L1465 HydrophobicContact CE1-CD1 4.13Å; Y1462-L1465 PolarHBondContact O-N 3.09Å; H1463-L1465 VanDerWaalsContact C-N 3.34Å |
| 1466 | S | 81.3 | Confident | 89 | Confident | 48 Ų | 48 | 19 Ų | 19 | 34% | 0.336 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -102.7 | -31 | -171.5 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | Y1462 | Y1462-S1466 VanDerWaalsContact CE1-CB 3.48Å; Y1462-S1466 VanDerWaalsContact CE1-OG 3.24Å; Y1462-S1466 WeakPolarHBondContact CE1-OG 3.39Å; Y1462-S1466 VanDerWaalsContact CZ-CB 3.45Å; Y1462-S1466 WeakPolarHBondContact O-CB 3.36Å; Y1462-S1466 PolarHBondContact O-N 2.67Å; Y1462-S1466 PolarHBondContact O-OG 3.16Å; Y1462-S1466 WeakPolarHBondContact OH-CB 3.18Å |
| 1467 | H | 81.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 19 Ų | 19 | 27% | 0.273 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -96.5 | 140.8 | -172.5 | -73.1 | 36.1 | 0 | 0 | 0 | 112.4 | H1463 Y1471 R1472 | H1463-H1467 AromaticContact CD2-CE1 3.27Å; H1463-H1467 PolarHBondContact CD2-CE1 3.19Å; H1463-H1467 AromaticContact CD2-CG 3.93Å; H1463-H1467 AromaticContact CD2-ND1 3.46Å; H1463-H1467 PolarHBondContact CD2-ND1 2.88Å; H1463-H1467 AromaticContact CD2-NE2 3.63Å; H1463-H1467 AromaticContact NE2-CE1 3.77Å; H1463-H1467 AromaticContact NE2-NE2 3.94Å; H1463-H1467 WeakPolarHBondContact O-CB 3.13Å; H1463-H1467 PolarHBondContact O-N 2.79Å; H1467-Y1471 HydrophobicContact CB-CD1 3.78Å; H1467-Y1471 HydrophobicContact CB-CG 4.15Å; H1467-Y1471 AromaticContact CD2-CD1 3.76Å; H1467-Y1471 AromaticContact CD2-CE1 3.96Å; H1467-Y1471 AromaticContact CD2-CG 3.85Å; H1467-R1472 PolarHBondContact O-NH2 3.13Å |
| 1468 | G | 84.4 | Confident | 89.3 | Confident | 52 Ų | 52 | 19 Ų | 19 | 54% | 0.536 | 11% | 0.113 | S | C | . | . | trans | -62.7 | 170.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1470 Y1471 | G1468-Q1470 VanDerWaalsContact C-N 3.34Å; G1468-Q1470 PolarHBondContact O-N 2.96Å; G1468-Y1471 PolarHBondContact O-N 2.97Å | ||
| 1469 | S | 90.1 | Very high | 89.3 | Confident | 57 Ų | 57 | 19.5 Ų | 19.5 | 40% | 0.399 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -58.8 | -38.6 | -171.6 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | Y1471 R1472 V1473 | S1469-Y1471 VanDerWaalsContact C-N 3.34Å; S1469-Y1471 PolarHBondContact O-N 3.49Å; S1469-R1472 WeakPolarHBondContact O-CB 3.29Å; S1469-R1472 PolarHBondContact O-N 3.32Å; S1469-R1472 VanDerWaalsContact O-N 3.11Å; S1469-V1473 PolarHBondContact O-N 2.78Å |
| 1470 | Q | 91.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 19.4 Ų | 19.4 | 16% | 0.159 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.1 | -44 | 178.2 | -63 | -178.7 | 6.9 | 0 | 0 | 114.1 | G1468 R1472 V1473 E1474 Y1647 S1653 | G1468-Q1470 VanDerWaalsContact C-N 3.34Å; G1468-Q1470 PolarHBondContact O-N 2.96Å; Q1470-R1472 PolarHBondContact O-N 2.95Å; Q1470-V1473 PolarHBondContact O-N 2.97Å; Q1470-V1473 VanDerWaalsContact O-N 3.07Å; Q1470-E1474 PolarHBondContact O-N 2.76Å; Q1470-Y1647 HydrophobicContact CB-CD2 3.93Å; Q1470-Y1647 HydrophobicContact CB-CE2 4.01Å; Q1470-Y1647 HydrophobicContact CG-CD2 3.99Å; Q1470-Y1647 HydrophobicContact CG-CE2 4.32Å; Q1470-S1653 PolarHBondContact NE2-O 3.28Å |
| 1471 | Y | 91.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 19 Ų | 19 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -28.7 | -176.9 | -175.9 | -112.8 | 0 | 0 | 0 | 112.1 | P162 L165 I1459 H1463 H1467 G1468 S1469 S1475 | P162-Y1471 HydrophobicContact CG-CE2 3.88Å; L165-Y1471 HydrophobicContact CB-CE2 4.27Å; L165-Y1471 HydrophobicContact CD2-CD2 4.08Å; L165-Y1471 HydrophobicContact CD2-CE2 3.56Å; L165-Y1471 HydrophobicContact CG-CE2 4.48Å; I1459-Y1471 HydrophobicContact CB-CE1 4.05Å; I1459-Y1471 HydrophobicContact CD1-CD1 4.16Å; I1459-Y1471 HydrophobicContact CD1-CE1 4.38Å; I1459-Y1471 HydrophobicContact CG2-CD1 4.06Å; I1459-Y1471 HydrophobicContact CG2-CE1 3.77Å; H1463-Y1471 HydrophobicContact CB-CD1 4.3Å; H1463-Y1471 HydrophobicContact CB-CE1 3.7Å; H1463-Y1471 AromaticContact CG-CE1 3.92Å; H1467-Y1471 HydrophobicContact CB-CD1 3.78Å; H1467-Y1471 HydrophobicContact CB-CG 4.15Å; H1467-Y1471 AromaticContact CD2-CD1 3.76Å; H1467-Y1471 AromaticContact CD2-CE1 3.96Å; H1467-Y1471 AromaticContact CD2-CG 3.85Å; G1468-Y1471 PolarHBondContact O-N 2.97Å; S1469-Y1471 VanDerWaalsContact C-N 3.34Å; S1469-Y1471 PolarHBondContact O-N 3.49Å; Y1471-S1475 WeakPolarHBondContact O-CB 3.33Å; Y1471-S1475 PolarHBondContact O-N 3.22Å |
| 1472 | R | 92.3 | Very high | 88.9 | Confident | 37 Ų | 37 | 21.2 Ų | 21.2 | 14% | 0.14 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74.5 | -38.5 | 176.8 | -44 | 176.6 | -169.6 | -159.3 | -4.4 | 110.7 | F1457 I1459 V1464 H1467 S1469 Q1470 L1476 M1640 | F1457-R1472 HydrophobicContact CB-CB 4.4Å; F1457-R1472 HydrophobicContact CD2-CB 4.41Å; F1457-R1472 HydrophobicContact CD2-CG 4.16Å; F1457-R1472 HydrophobicContact CG-CB 4.34Å; I1459-R1472 HydrophobicContact CD1-CG 4.12Å; V1464-R1472 PolarHBondContact O-NH2 3.44Å; H1467-R1472 PolarHBondContact O-NH2 3.13Å; S1469-R1472 WeakPolarHBondContact O-CB 3.29Å; S1469-R1472 PolarHBondContact O-N 3.32Å; S1469-R1472 VanDerWaalsContact O-N 3.11Å; Q1470-R1472 PolarHBondContact O-N 2.95Å; R1472-L1476 PolarHBondContact O-N 2.84Å; R1472-M1640 VanDerWaalsContact C-CE 3.45Å; R1472-M1640 HydrophobicContact CB-CE 3.69Å; R1472-M1640 HydrophobicContact CB-SD 3.51Å; R1472-M1640 VanDerWaalsContact CB-SD 3.51Å; R1472-M1640 HydrophobicContact CG-SD 4.5Å; R1472-M1640 WeakPolarHBondContact O-CE 3.23Å |
| 1473 | V | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -50.1 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | S1469 Q1470 S1475 L1476 L1477 M1640 V1643 I1644 Y1647 | S1469-V1473 PolarHBondContact O-N 2.78Å; Q1470-V1473 PolarHBondContact O-N 2.97Å; Q1470-V1473 VanDerWaalsContact O-N 3.07Å; V1473-S1475 PolarHBondContact O-N 3.04Å; V1473-L1476 PolarHBondContact O-N 3.4Å; V1473-L1476 VanDerWaalsContact O-N 3.09Å; V1473-L1477 VanDerWaalsContact O-CB 3.22Å; V1473-L1477 WeakPolarHBondContact O-CB 3.33Å; V1473-L1477 PolarHBondContact O-N 3.37Å; V1473-M1640 HydrophobicContact CG2-CE 3.93Å; V1473-V1643 HydrophobicContact CG2-CB 4.48Å; V1473-V1643 HydrophobicContact CG2-CG1 3.46Å; V1473-V1643 VanDerWaalsContact CG2-CG1 3.46Å; V1473-I1644 HydrophobicContact CG1-CG1 4.26Å; V1473-I1644 HydrophobicContact CG2-CG1 4.07Å; V1473-Y1647 HydrophobicContact CB-CD2 4.17Å; V1473-Y1647 HydrophobicContact CB-CG 4.23Å; V1473-Y1647 HydrophobicContact CG1-CD1 4.07Å; V1473-Y1647 HydrophobicContact CG1-CD2 4.24Å; V1473-Y1647 HydrophobicContact CG1-CG 3.86Å |
| 1474 | E | 92.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.2 | -41.8 | 177.3 | -74.1 | 162.1 | -177.7 | 0 | 0 | 112.1 | H160 I161 Q1470 L1476 L1477 C1478 Y1647 R1655 | H160-E1474 IonicContact CD2-OE1 3.36Å; H160-E1474 IonicContact NE2-OE1 3.65Å; I161-E1474 HydrophobicContact CD1-CB 4.01Å; I161-E1474 HydrophobicContact CD1-CG 4.09Å; Q1470-E1474 PolarHBondContact O-N 2.76Å; E1474-L1476 VanDerWaalsContact C-N 3.35Å; E1474-L1476 PolarHBondContact O-N 2.92Å; E1474-L1477 PolarHBondContact O-N 3.11Å; E1474-C1478 VanDerWaalsContact O-CB 3.27Å; E1474-C1478 WeakPolarHBondContact O-CB 3.45Å; E1474-C1478 PolarHBondContact O-N 3.32Å; E1474-C1478 PolarHBondContact O-SG 3.01Å; E1474-Y1647 HydrophobicContact CG-CE2 3.87Å; E1474-Y1647 WeakPolarHBondContact CG-OH 3.4Å; E1474-Y1647 PolarHBondContact OE1-OH 2.85Å; E1474-R1655 VanDerWaalsContact CD-NH1 3.28Å; E1474-R1655 IonicContact OE1-CZ 3.15Å; E1474-R1655 IonicContact OE1-NE 2.97Å; E1474-R1655 PolarHBondContact OE1-NE 3.32Å; E1474-R1655 IonicContact OE1-NH1 3.16Å; E1474-R1655 PolarHBondContact OE1-NH1 3.07Å; E1474-R1655 VanDerWaalsContact OE1-NH1 3.08Å; E1474-R1655 IonicContact OE1-NH2 2.62Å; E1474-R1655 PolarHBondContact OE1-NH2 2.89Å; E1474-R1655 IonicContact OE2-CZ 3.73Å; E1474-R1655 IonicContact OE2-NH1 3.84Å; E1474-R1655 PolarHBondContact OE2-NH1 2.99Å; E1474-R1655 IonicContact OE2-NH2 3.34Å; E1474-R1655 PolarHBondContact OE2-NH2 3.2Å |
| 1475 | S | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | F1457 G1458 I1459 Y1471 V1473 R1479 | F1457-S1475 VanDerWaalsContact O-CB 3.27Å; F1457-S1475 WeakPolarHBondContact O-CB 3.36Å; F1457-S1475 PolarHBondContact O-OG 3.1Å; G1458-S1475 PolarHBondContact O-OG 3.27Å; I1459-S1475 WeakPolarHBondContact CG2-OG 3.42Å; Y1471-S1475 WeakPolarHBondContact O-CB 3.33Å; Y1471-S1475 PolarHBondContact O-N 3.22Å; V1473-S1475 PolarHBondContact O-N 3.04Å; S1475-R1479 PolarHBondContact O-NH1 2.75Å; S1475-R1479 PolarHBondContact OG-NH1 3.49Å |
| 1476 | L | 90.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74 | -45.5 | 174.6 | -62.2 | -177.2 | 0 | 0 | 0 | 112 | N250 I1456 R1472 V1473 E1474 C1478 R1479 I1480 M1602 L1606 M1640 | N250-L1476 WeakPolarHBondContact ND2-CD2 3.33Å; I1456-L1476 WeakPolarHBondContact O-CD2 3.5Å; R1472-L1476 PolarHBondContact O-N 2.84Å; V1473-L1476 PolarHBondContact O-N 3.4Å; V1473-L1476 VanDerWaalsContact O-N 3.09Å; E1474-L1476 VanDerWaalsContact C-N 3.35Å; E1474-L1476 PolarHBondContact O-N 2.92Å; L1476-C1478 PolarHBondContact O-N 3.03Å; L1476-R1479 PolarHBondContact O-N 3.43Å; L1476-I1480 PolarHBondContact O-N 3.49Å; L1476-M1602 HydrophobicContact CB-SD 3.62Å; L1476-M1602 HydrophobicContact CD1-SD 4.44Å; L1476-L1606 HydrophobicContact CD1-CD1 4.19Å; L1476-L1606 HydrophobicContact CD1-CD2 4.21Å; L1476-M1640 HydrophobicContact CD1-CB 4.47Å; L1476-M1640 HydrophobicContact CD1-CE 3.66Å; L1476-M1640 HydrophobicContact CD1-CG 4.3Å; L1476-M1640 HydrophobicContact CG-CE 4.35Å |
| 1477 | L | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | -174.7 | -174.3 | 63.3 | 0 | 0 | 0 | 111.6 | I116 V1473 E1474 R1479 I1480 A1481 L1488 I1598 L1599 M1602 Y1647 M1656 | I116-L1477 HydrophobicContact CD1-CD1 4.15Å; I116-L1477 HydrophobicContact CD1-CG 4.4Å; V1473-L1477 VanDerWaalsContact O-CB 3.22Å; V1473-L1477 WeakPolarHBondContact O-CB 3.33Å; V1473-L1477 PolarHBondContact O-N 3.37Å; E1474-L1477 PolarHBondContact O-N 3.11Å; L1477-R1479 VanDerWaalsContact C-N 3.32Å; L1477-R1479 PolarHBondContact O-N 3.45Å; L1477-I1480 PolarHBondContact O-N 3.48Å; L1477-A1481 WeakPolarHBondContact O-CB 3.45Å; L1477-A1481 PolarHBondContact O-N 3.31Å; L1477-L1488 HydrophobicContact CD2-CD2 3.57Å; L1477-L1488 HydrophobicContact CG-CD2 3.91Å; L1477-I1598 HydrophobicContact CD1-CG2 3.81Å; L1477-L1599 HydrophobicContact CD1-CD2 3.97Å; L1477-M1602 HydrophobicContact CD1-CE 4.09Å; L1477-Y1647 HydrophobicContact CD2-CE1 4.34Å; L1477-M1656 HydrophobicContact CD2-CE 4.31Å |
| 1478 | C | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.8 | -68 | 0 | 0 | 0 | 0 | 112.2 | I161 V169 E1474 L1476 R1482 L1488 | I161-C1478 VanDerWaalsContact CD1-SG 3.59Å; V169-C1478 HydrophobicContact CG1-CB 4.02Å; V169-C1478 HydrophobicContact CG2-CB 3.96Å; E1474-C1478 VanDerWaalsContact O-CB 3.27Å; E1474-C1478 WeakPolarHBondContact O-CB 3.45Å; E1474-C1478 PolarHBondContact O-N 3.32Å; E1474-C1478 PolarHBondContact O-SG 3.01Å; L1476-C1478 PolarHBondContact O-N 3.03Å; C1478-R1482 VanDerWaalsContact O-CB 3.3Å; C1478-R1482 WeakPolarHBondContact O-CB 3.24Å; C1478-R1482 VanDerWaalsContact O-CG 3.29Å; C1478-R1482 WeakPolarHBondContact O-CG 3.23Å; C1478-R1482 PolarHBondContact O-N 3.31Å; C1478-L1488 HydrophobicContact CB-CD1 4.32Å; C1478-L1488 WeakPolarHBondContact SG-CD1 3.48Å |
| 1479 | R | 88.9 | Confident | 90.4 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 5% | 0.045 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | -179.6 | -72.2 | 179.1 | 176 | 84.3 | -8.6 | 111.3 | V169 L173 G1458 S1475 L1476 L1477 Q1483 | V169-R1479 HydrophobicContact CB-CG 4.41Å; V169-R1479 HydrophobicContact CG1-CG 3.96Å; V169-R1479 HydrophobicContact CG2-CG 4.08Å; L173-R1479 PolarHBondContact O-NH2 2.85Å; G1458-R1479 PolarHBondContact O-NH1 3.23Å; G1458-R1479 PolarHBondContact O-NH2 2.87Å; S1475-R1479 PolarHBondContact O-NH1 2.75Å; S1475-R1479 PolarHBondContact OG-NH1 3.49Å; L1476-R1479 PolarHBondContact O-N 3.43Å; L1477-R1479 VanDerWaalsContact C-N 3.32Å; L1477-R1479 PolarHBondContact O-N 3.45Å; R1479-Q1483 WeakPolarHBondContact O-CG 3.26Å; R1479-Q1483 PolarHBondContact O-N 3.39Å |
| 1480 | I | 87.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -75 | -36 | -177 | -56.1 | 171.8 | 0 | 0 | 0 | 111.4 | L1476 L1477 S1484 I1598 M1602 | L1476-I1480 PolarHBondContact O-N 3.49Å; L1477-I1480 PolarHBondContact O-N 3.48Å; I1480-S1484 PolarHBondContact O-N 2.92Å; I1480-S1484 PolarHBondContact O-OG 3.49Å; I1480-S1484 VanDerWaalsContact O-OG 3.04Å; I1480-I1598 HydrophobicContact CB-CG2 4.32Å; I1480-I1598 HydrophobicContact CG2-CG2 3.94Å; I1480-M1602 HydrophobicContact CD1-CB 3.63Å; I1480-M1602 HydrophobicContact CD1-CG 3.68Å; I1480-M1602 HydrophobicContact CD1-SD 4.12Å |
| 1481 | A | 89.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I116 L1477 Q1483 S1484 N1485 F1486 I1598 | I116-A1481 HydrophobicContact CD1-CB 4.29Å; L1477-A1481 WeakPolarHBondContact O-CB 3.45Å; L1477-A1481 PolarHBondContact O-N 3.31Å; A1481-Q1483 PolarHBondContact O-N 3.46Å; A1481-S1484 CarbonylContact O-C 3.55Å; A1481-S1484 VanDerWaalsContact O-C 3.32Å; A1481-S1484 WeakPolarHBondContact O-CA 3.48Å; A1481-S1484 PolarHBondContact O-N 3.33Å; A1481-N1485 PolarHBondContact O-N 3Å; A1481-N1485 VanDerWaalsContact O-N 3.11Å; A1481-F1486 CarbonylContact C-O 3.31Å; A1481-F1486 HydrophobicContact CB-CB 4.01Å; A1481-F1486 PolarHBondContact O-N 2.86Å; A1481-I1598 HydrophobicContact CB-CD1 4.25Å |
| 1482 | R | 85.4 | Confident | 90.6 | Very high | 48 Ų | 48 | 14.3 Ų | 14.3 | 18% | 0.181 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | -179.4 | -71.5 | -177.6 | -174.5 | 173.4 | 4.2 | 112.9 | Y64 E158 D170 C1478 S1484 N1485 | Y64-R1482 PolarHBondContact OH-NH1 3.29Å; Y64-R1482 PolarHBondContact OH-NH2 3.06Å; E158-R1482 IonicContact OE1-CZ 2.77Å; E158-R1482 IonicContact OE1-NE 3.81Å; E158-R1482 PolarHBondContact OE1-NE 2.98Å; E158-R1482 VanDerWaalsContact OE1-NE 3.11Å; E158-R1482 IonicContact OE1-NH2 3.28Å; E158-R1482 IonicContact OE2-CZ 3.39Å; E158-R1482 IonicContact OE2-NE 2.74Å; E158-R1482 PolarHBondContact OE2-NE 2.95Å; E158-R1482 IonicContact OE2-NH2 3.15Å; E158-R1482 PolarHBondContact OE2-NH2 2.93Å; D170-R1482 VanDerWaalsContact CG-NH1 3.27Å; D170-R1482 IonicContact OD1-CZ 2.73Å; D170-R1482 IonicContact OD1-NH1 3.14Å; D170-R1482 PolarHBondContact OD1-NH1 3.32Å; D170-R1482 IonicContact OD2-NH1 3.69Å; C1478-R1482 VanDerWaalsContact O-CB 3.3Å; C1478-R1482 WeakPolarHBondContact O-CB 3.24Å; C1478-R1482 VanDerWaalsContact O-CG 3.29Å; C1478-R1482 WeakPolarHBondContact O-CG 3.23Å; C1478-R1482 PolarHBondContact O-N 3.31Å; R1482-S1484 PolarHBondContact O-N 2.72Å; R1482-S1484 VanDerWaalsContact O-N 3.16Å; R1482-N1485 PolarHBondContact O-N 3.39Å |
| 1483 | Q | 81.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -52.8 | -34.2 | 169.4 | -79.3 | 176.9 | -26.8 | 0 | 0 | 112 | R1479 A1481 | R1479-Q1483 WeakPolarHBondContact O-CG 3.26Å; R1479-Q1483 PolarHBondContact O-N 3.39Å; A1481-Q1483 PolarHBondContact O-N 3.46Å |
| 1484 | S | 83.6 | Confident | 90.2 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 21% | 0.21 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.5 | -178 | -51.7 | 0 | 0 | 0 | 0 | 113.4 | I1480 A1481 R1482 F1486 R1601 | I1480-S1484 PolarHBondContact O-N 2.92Å; I1480-S1484 PolarHBondContact O-OG 3.49Å; I1480-S1484 VanDerWaalsContact O-OG 3.04Å; A1481-S1484 CarbonylContact O-C 3.55Å; A1481-S1484 VanDerWaalsContact O-C 3.32Å; A1481-S1484 WeakPolarHBondContact O-CA 3.48Å; A1481-S1484 PolarHBondContact O-N 3.33Å; R1482-S1484 PolarHBondContact O-N 2.72Å; R1482-S1484 VanDerWaalsContact O-N 3.16Å; S1484-F1486 VanDerWaalsContact C-N 3.27Å; S1484-F1486 WeakPolarHBondContact O-CD2 3.48Å; S1484-F1486 PolarHBondContact O-N 2.93Å; S1484-R1601 PolarHBondContact OG-NH1 3.43Å |
| 1485 | N | 89.7 | Confident | 90.1 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 40% | 0.401 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 24 | -175.9 | -56.6 | -112.4 | 0 | 0 | 0 | 115.4 | G113 F114 K123 A1481 R1482 | G113-N1485 WeakPolarHBondContact CA-O 3.5Å; F114-N1485 PolarHBondContact N-O 3.42Å; K123-N1485 PolarHBondContact NZ-OD1 2.84Å; A1481-N1485 PolarHBondContact O-N 3Å; A1481-N1485 VanDerWaalsContact O-N 3.11Å; R1482-N1485 PolarHBondContact O-N 3.39Å |
| 1486 | F | 93.7 | Very high | 90 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 142.3 | 171.5 | -74.5 | -85.4 | 0 | 0 | 0 | 111.4 | F114 S115 I116 A1481 S1484 I1598 | F114-F1486 HydrophobicContact CB-CD1 3.36Å; F114-F1486 HydrophobicContact CB-CE1 3.45Å; F114-F1486 VanDerWaalsContact CB-CE1 3.45Å; F114-F1486 HydrophobicContact CB-CG 4.08Å; F114-F1486 HydrophobicContact CB-CZ 4.22Å; F114-F1486 HydrophobicContact CD2-CE1 4.33Å; F114-F1486 HydrophobicContact CD2-CE2 4.42Å; F114-F1486 HydrophobicContact CD2-CZ 4.27Å; F114-F1486 HydrophobicContact CG-CD1 4.28Å; F114-F1486 HydrophobicContact CG-CE1 4.01Å; F114-F1486 HydrophobicContact CG-CZ 4.34Å; F114-F1486 CarbonylContact O-C 3.6Å; F114-F1486 WeakPolarHBondContact O-CA 3.32Å; S115-F1486 WeakPolarHBondContact O-CD1 3.27Å; I116-F1486 HydrophobicContact CB-CB 4.26Å; I116-F1486 HydrophobicContact CB-CD1 4.26Å; A1481-F1486 CarbonylContact C-O 3.31Å; A1481-F1486 HydrophobicContact CB-CB 4.01Å; A1481-F1486 PolarHBondContact O-N 2.86Å; S1484-F1486 VanDerWaalsContact C-N 3.27Å; S1484-F1486 WeakPolarHBondContact O-CD2 3.48Å; S1484-F1486 PolarHBondContact O-N 2.93Å; F1486-I1598 HydrophobicContact CB-CD1 3.87Å; F1486-I1598 HydrophobicContact CD1-CD1 4.25Å; F1486-I1598 HydrophobicContact CD2-CD1 3.45Å; F1486-I1598 VanDerWaalsContact CD2-CD1 3.45Å; F1486-I1598 HydrophobicContact CD2-CG1 4.29Å; F1486-I1598 HydrophobicContact CE2-CD1 3.96Å; F1486-I1598 HydrophobicContact CE2-CG1 4.4Å; F1486-I1598 HydrophobicContact CG-CD1 3.6Å |
| 1487 | I | 94.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.4 | 179.1 | -45.2 | -178.7 | 0 | 0 | 0 | 108.7 | F66 F114 I116 F126 Y157 E158 | F66-I1487 HydrophobicContact CB-CG2 3.94Å; F66-I1487 HydrophobicContact CD1-CD1 4.25Å; F66-I1487 HydrophobicContact CD2-CG2 3.7Å; F66-I1487 HydrophobicContact CE2-CG2 4.32Å; F66-I1487 HydrophobicContact CG-CD1 4.39Å; F66-I1487 HydrophobicContact CG-CG2 3.91Å; F114-I1487 PolarHBondContact O-N 3.33Å; I116-I1487 PolarHBondContact N-O 3.21Å; F126-I1487 HydrophobicContact CB-CD1 4.34Å; F126-I1487 HydrophobicContact CD1-CD1 4.22Å; F126-I1487 HydrophobicContact CD2-CD1 3.75Å; F126-I1487 HydrophobicContact CE2-CD1 4.05Å; F126-I1487 HydrophobicContact CG-CD1 3.86Å; F126-I1487 HydrophobicContact CZ-CD1 4.43Å; Y157-I1487 HydrophobicContact CD1-CB 4.46Å; Y157-I1487 HydrophobicContact CD1-CG2 4.16Å; Y157-I1487 HydrophobicContact CG-CG2 4.37Å; E158-I1487 HydrophobicContact CG-CG2 4.14Å |
| 1488 | L | 95 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | -91.2 | 123.2 | -174.8 | -62.4 | 129.8 | 0 | 0 | 0 | 111.4 | I116 Y157 E158 L1477 C1478 M1656 | I116-L1488 HydrophobicContact CD1-CD2 3.77Å; I116-L1488 HydrophobicContact CD1-CG 4.4Å; I116-L1488 HydrophobicContact CG2-CB 4.5Å; I116-L1488 HydrophobicContact CG2-CD2 4.17Å; I116-L1488 HydrophobicContact CG2-CG 4.34Å; Y157-L1488 CarbonylContact C-O 3.59Å; Y157-L1488 VanDerWaalsContact CA-O 3.22Å; Y157-L1488 WeakPolarHBondContact CA-O 3.31Å; Y157-L1488 WeakPolarHBondContact CB-O 3.43Å; E158-L1488 HydrophobicContact CG-CB 4.25Å; E158-L1488 PolarHBondContact N-O 2.65Å; L1477-L1488 HydrophobicContact CD2-CD2 3.57Å; L1477-L1488 HydrophobicContact CG-CD2 3.91Å; C1478-L1488 HydrophobicContact CB-CD1 4.32Å; C1478-L1488 WeakPolarHBondContact SG-CD1 3.48Å; L1488-M1656 HydrophobicContact CB-SD 4.19Å; L1488-M1656 HydrophobicContact CD2-CE 3.91Å; L1488-M1656 HydrophobicContact CD2-SD 3.76Å | ||
| 1489 | P | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -65.5 | 162.8 | 172.7 | 29.1 | -36 | 0 | 0 | 0 | 111.4 | Y117 Y157 H160 L1564 M1656 | Y117-P1489 HydrophobicContact CD2-CG 4.03Å; Y117-P1489 HydrophobicContact CG-CG 4.23Å; Y157-P1489 HydrophobicContact CD1-CB 3.87Å; Y157-P1489 HydrophobicContact CE1-CB 3.74Å; Y157-P1489 HydrophobicContact CE1-CG 4.42Å; H160-P1489 PolarHBondContact CE1-O 3.04Å; H160-P1489 PolarHBondContact ND1-O 3.16Å; P1489-L1564 HydrophobicContact CB-CD1 3.65Å; P1489-L1564 HydrophobicContact CG-CD1 3.67Å; P1489-M1656 HydrophobicContact CG-CG 4.2Å; P1489-M1656 HydrophobicContact CG-SD 3.95Å |
| 1490 | S | 94.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | trans | -124.8 | 82.2 | 174.6 | -54 | 0 | 0 | 0 | 0 | 109.8 | Q155 T156 E158 S159 H160 | Q155-S1490 PolarHBondContact NE2-O 2.97Å; T156-S1490 PolarHBondContact O-N 3.49Å; E158-S1490 PolarHBondContact N-OG 3.41Å; S159-S1490 PolarHBondContact N-OG 2.84Å; S159-S1490 WeakPolarHBondContact OG-CB 3.3Å; S159-S1490 PolarHBondContact OG-OG 3.21Å; H160-S1490 PolarHBondContact N-OG 3.49Å; H160-S1490 PolarHBondContact ND1-OG 3.24Å | ||
| 1491 | P | 92 | Very high | 89.6 | Confident | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | trans | -55.2 | 135.1 | 174.6 | -27.1 | 35.2 | 0 | 0 | 0 | 112.8 | Q1495 R1496 C1563 R1655 | P1491-Q1495 HydrophobicContact CB-CB 4.26Å; P1491-R1496 HydrophobicContact CB-CG 3.97Å; P1491-R1496 PolarHBondContact O-NH1 2.69Å; P1491-C1563 HydrophobicContact CB-CB 3.96Å; P1491-C1563 HydrophobicContact CG-CB 4.02Å; P1491-R1655 WeakPolarHBondContact CD-O 3.42Å | ||
| 1492 | S | 89.5 | Confident | 89.6 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | trans | -66.9 | 170 | 172.4 | 78.2 | 0 | 0 | 0 | 0 | 112 | T1494 Q1495 R1496 | S1492-T1494 VanDerWaalsContact C-N 3.27Å; S1492-T1494 PolarHBondContact O-N 2.84Å; S1492-T1494 PolarHBondContact OG-N 2.86Å; S1492-T1494 PolarHBondContact OG-OG1 3.43Å; S1492-Q1495 PolarHBondContact O-N 2.78Å; S1492-Q1495 WeakPolarHBondContact OG-CB 3.44Å; S1492-Q1495 WeakPolarHBondContact OG-CG 3.44Å; S1492-Q1495 PolarHBondContact OG-N 2.77Å; S1492-R1496 WeakPolarHBondContact O-CG 3.39Å; S1492-R1496 PolarHBondContact O-N 3.08Å; S1492-R1496 VanDerWaalsContact O-N 3.16Å; S1492-R1496 PolarHBondContact O-NH1 3.29Å | ||
| 1493 | V | 88.3 | Confident | 89.7 | Confident | 110 Ų | 110 | 51 Ų | 51 | 67% | 0.667 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | R1496 A1497 | V1493-R1496 PolarHBondContact O-N 3.3Å; V1493-A1497 PolarHBondContact O-N 3.31Å; V1493-A1497 VanDerWaalsContact O-N 3.13Å |
| 1494 | T | 88.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.7 | -43.2 | 178.7 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | S1492 R1496 A1497 H1498 | S1492-T1494 VanDerWaalsContact C-N 3.27Å; S1492-T1494 PolarHBondContact O-N 2.84Å; S1492-T1494 PolarHBondContact OG-N 2.86Å; S1492-T1494 PolarHBondContact OG-OG1 3.43Å; T1494-R1496 VanDerWaalsContact C-N 3.31Å; T1494-R1496 PolarHBondContact O-N 3.37Å; T1494-A1497 WeakPolarHBondContact O-CB 3.48Å; T1494-A1497 PolarHBondContact O-N 3.11Å; T1494-A1497 VanDerWaalsContact O-N 3.08Å; T1494-H1498 PolarHBondContact O-N 2.91Å; T1494-H1498 VanDerWaalsContact O-N 3.16Å; T1494-H1498 PolarHBondContact O-ND1 3.25Å |
| 1495 | Q | 90.7 | Very high | 89.9 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.1 | -75.8 | 173.7 | -49.4 | 0 | 0 | 112.1 | P1491 S1492 A1497 H1498 Q1499 | P1491-Q1495 HydrophobicContact CB-CB 4.26Å; S1492-Q1495 PolarHBondContact O-N 2.78Å; S1492-Q1495 WeakPolarHBondContact OG-CB 3.44Å; S1492-Q1495 WeakPolarHBondContact OG-CG 3.44Å; S1492-Q1495 PolarHBondContact OG-N 2.77Å; Q1495-A1497 VanDerWaalsContact C-N 3.33Å; Q1495-H1498 PolarHBondContact O-N 3.1Å; Q1495-Q1499 PolarHBondContact O-N 2.92Å |
| 1496 | R | 89.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -28.4 | 174 | -65.3 | -169.4 | -53.1 | -93.2 | 10.5 | 113.6 | P1491 S1492 V1493 T1494 H1498 Q1499 G1654 P1657 | P1491-R1496 HydrophobicContact CB-CG 3.97Å; P1491-R1496 PolarHBondContact O-NH1 2.69Å; S1492-R1496 WeakPolarHBondContact O-CG 3.39Å; S1492-R1496 PolarHBondContact O-N 3.08Å; S1492-R1496 VanDerWaalsContact O-N 3.16Å; S1492-R1496 PolarHBondContact O-NH1 3.29Å; V1493-R1496 PolarHBondContact O-N 3.3Å; T1494-R1496 VanDerWaalsContact C-N 3.31Å; T1494-R1496 PolarHBondContact O-N 3.37Å; R1496-H1498 VanDerWaalsContact C-N 3.32Å; R1496-Q1499 WeakPolarHBondContact O-CG 3.46Å; R1496-Q1499 PolarHBondContact O-NE2 3.3Å; R1496-G1654 WeakPolarHBondContact CD-O 3.14Å; R1496-G1654 VanDerWaalsContact CZ-O 3.3Å; R1496-G1654 PolarHBondContact NE-O 3.36Å; R1496-P1657 HydrophobicContact CG-CG 4.1Å |
| 1497 | A | 87.2 | Confident | 89.5 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 67% | 0.669 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.2 | -18.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1493 T1494 Q1495 | V1493-A1497 PolarHBondContact O-N 3.31Å; V1493-A1497 VanDerWaalsContact O-N 3.13Å; T1494-A1497 WeakPolarHBondContact O-CB 3.48Å; T1494-A1497 PolarHBondContact O-N 3.11Å; T1494-A1497 VanDerWaalsContact O-N 3.08Å; Q1495-A1497 VanDerWaalsContact C-N 3.33Å |
| 1498 | H | 88.1 | Confident | 89.3 | Confident | 154 Ų | 154 | 55.2 Ų | 55.2 | 71% | 0.713 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.5 | 176.9 | -70.2 | 73.8 | 0 | 0 | 0 | 113.7 | T1494 Q1495 R1496 | T1494-H1498 PolarHBondContact O-N 2.91Å; T1494-H1498 VanDerWaalsContact O-N 3.16Å; T1494-H1498 PolarHBondContact O-ND1 3.25Å; Q1495-H1498 PolarHBondContact O-N 3.1Å; R1496-H1498 VanDerWaalsContact C-N 3.32Å |
| 1499 | Q | 89.3 | Confident | 89 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -70.8 | 154.2 | 171.5 | 86.9 | -165.8 | -68 | 0 | 0 | 110.3 | Q1495 R1496 G1562 C1563 S1651 | Q1495-Q1499 PolarHBondContact O-N 2.92Å; R1496-Q1499 WeakPolarHBondContact O-CG 3.46Å; R1496-Q1499 PolarHBondContact O-NE2 3.3Å; Q1499-G1562 WeakPolarHBondContact CA-O 3.47Å; Q1499-G1562 VanDerWaalsContact CB-O 3.29Å; Q1499-G1562 WeakPolarHBondContact CB-O 3.41Å; Q1499-C1563 VanDerWaalsContact CD-SG 3.58Å; Q1499-C1563 PolarHBondContact OE1-SG 2.87Å; Q1499-S1651 PolarHBondContact NE2-O 2.94Å |
| 1500 | L | 87.4 | Confident | 88.8 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 149.5 | 175.7 | -60 | 173 | 0 | 0 | 0 | 111.2 | V1659 | L1500-V1659 HydrophobicContact CB-CG1 3.99Š|
| 1501 | A | 89.1 | Confident | 88.7 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 142.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1503 | A1501-E1503 PolarHBondContact O-N 3.3Š|
| 1502 | P | 88.7 | Confident | 88.7 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 121.7 | 174 | -22.7 | 33.9 | 0 | 0 | 0 | 111.5 | S1651 V1659 | P1502-S1651 WeakPolarHBondContact CG-OG 2.96Å; P1502-V1659 HydrophobicContact CB-CG2 4.08Å; P1502-V1659 HydrophobicContact CG-CG2 4.01Å |
| 1503 | E | 88.7 | Confident | 88.8 | Confident | 102 Ų | 102 | 67.7 Ų | 67.7 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | trans | -89.1 | -19.5 | 175.6 | -64.7 | 165.6 | -121.5 | 0 | 0 | 110.9 | A1501 I1505 R1547 D1663 | A1501-E1503 PolarHBondContact O-N 3.3Å; E1503-I1505 PolarHBondContact O-N 3.23Å; E1503-I1505 VanDerWaalsContact O-N 3.08Å; E1503-R1547 IonicContact OE1-CZ 3.9Å; E1503-R1547 VanDerWaalsContact OE1-CZ 3.28Å; E1503-R1547 IonicContact OE1-NH1 3.35Å; E1503-R1547 PolarHBondContact OE1-NH1 2.81Å; E1503-R1547 IonicContact OE1-NH2 3.64Å; E1503-R1547 PolarHBondContact OE1-NH2 2.92Å; E1503-R1547 IonicContact OE2-NH1 2.71Å; E1503-D1663 PolarHBondContact N-OD1 3.48Å; E1503-D1663 PolarHBondContact N-OD2 3.31Å | ||
| 1504 | G | 81 | Confident | 89 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | trans | -75.9 | 92.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1663 V1666 | G1504-D1663 WeakPolarHBondContact CA-OD1 3.35Å; G1504-D1663 VanDerWaalsContact N-CG 3.31Å; G1504-D1663 PolarHBondContact N-OD1 3.43Å; G1504-V1666 WeakPolarHBondContact O-CG1 3.4Å | ||
| 1505 | I | 87 | Confident | 89.2 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | trans | -91.1 | 117.1 | 173 | -55.8 | 177.2 | 0 | 0 | 0 | 110.2 | E1503 R1670 | E1503-I1505 PolarHBondContact O-N 3.23Å; E1503-I1505 VanDerWaalsContact O-N 3.08Å; I1505-R1670 PolarHBondContact O-NH1 3.31Å | ||
| 1506 | P | 88.2 | Confident | 89.3 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | trans | -68.2 | 148.8 | 177.9 | 30.7 | -35.8 | 0 | 0 | 0 | 111.1 | N1508 V1666 T1704 | P1506-N1508 PolarHBondContact O-N 3.41Å; P1506-V1666 HydrophobicContact CB-CG1 3.94Å; P1506-T1704 HydrophobicContact CB-CG2 4.19Å; P1506-T1704 HydrophobicContact CG-CG2 4.48Å | ||
| 1507 | L | 88.5 | Confident | 89.3 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | trans | -79.1 | 114.6 | -176.1 | 176.4 | 61.4 | 0 | 0 | 0 | 111.8 | L1509 R1670 L1673 E1674 I1677 T1704 | L1507-L1509 HydrophobicContact CD1-CD2 4.06Å; L1507-L1509 HydrophobicContact CD2-CD2 4.29Å; L1507-L1509 HydrophobicContact CG-CD2 4.37Å; L1507-R1670 HydrophobicContact CB-CG 4.02Å; L1507-L1673 HydrophobicContact CB-CD2 4.18Å; L1507-L1673 HydrophobicContact CD2-CD2 4.13Å; L1507-L1673 HydrophobicContact CD2-CG 4.21Å; L1507-L1673 HydrophobicContact CG-CD2 4.25Å; L1507-E1674 HydrophobicContact CD2-CG 3.48Å; L1507-E1674 VanDerWaalsContact CD2-CG 3.48Å; L1507-I1677 HydrophobicContact CD2-CD1 3.92Å; L1507-T1704 PolarHBondContact O-N 3.24Å | ||
| 1508 | N | 89 | Confident | 89.2 | Confident | 56 Ų | 56 | 56 Ų | 56 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -115.9 | 107.7 | 164.2 | -59.5 | -21.2 | 0 | 0 | 0 | 107.5 | P1506 D1703 T1704 K1754 | P1506-N1508 PolarHBondContact O-N 3.41Å; N1508-D1703 PolarHBondContact OD1-OD1 3.26Å; N1508-T1704 VanDerWaalsContact OD1-CG2 3.28Å; N1508-T1704 WeakPolarHBondContact OD1-CG2 3.4Å; N1508-T1704 PolarHBondContact OD1-N 2.79Å; N1508-K1754 VanDerWaalsContact O-CE 3.22Å; N1508-K1754 WeakPolarHBondContact O-CE 3.13Å |
| 1509 | L | 90 | Very high | 89.3 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -62 | 152.3 | 177.4 | -68.8 | 177.3 | 0 | 0 | 0 | 110.5 | L1507 I1677 V1699 Y1701 G1702 K1754 | L1507-L1509 HydrophobicContact CD1-CD2 4.06Å; L1507-L1509 HydrophobicContact CD2-CD2 4.29Å; L1507-L1509 HydrophobicContact CG-CD2 4.37Å; L1509-I1677 HydrophobicContact CD1-CD1 3.8Å; L1509-I1677 HydrophobicContact CD1-CG1 4.43Å; L1509-I1677 HydrophobicContact CD2-CD1 4.28Å; L1509-I1677 HydrophobicContact CG-CD1 4.29Å; L1509-V1699 HydrophobicContact CD1-CG1 4.01Å; L1509-Y1701 WeakPolarHBondContact O-CE2 3.36Å; L1509-G1702 PolarHBondContact N-O 3.41Å; L1509-K1754 WeakPolarHBondContact O-CE 3.46Å |
| 1510 | E | 90.1 | Very high | 89.6 | Confident | 124 Ų | 124 | 48 Ų | 48 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -76 | 123 | 163.5 | -159 | 63.6 | -126.5 | 0 | 0 | 108 | K1754 | E1510-K1754 WeakPolarHBondContact OE2-CE 3.31Å; E1510-K1754 IonicContact OE2-NZ 2.86Å; E1510-K1754 PolarHBondContact OE2-NZ 3.26Å |
| 1511 | P | 92.1 | Very high | 90 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 147.6 | 178.4 | 25.5 | -30.9 | 0 | 0 | 0 | 111.1 | S1513 V1700 Y1701 L1751 | P1511-S1513 VanDerWaalsContact C-N 3.35Å; P1511-S1513 PolarHBondContact O-N 3.14Å; P1511-V1700 WeakPolarHBondContact CA-O 3.25Å; P1511-Y1701 HydrophobicContact CB-CD2 3.51Å; P1511-Y1701 HydrophobicContact CB-CE2 4.16Å; P1511-Y1701 HydrophobicContact CB-CG 3.97Å; P1511-Y1701 HydrophobicContact CG-CD2 3.99Å; P1511-Y1701 HydrophobicContact CG-CE2 4.14Å; P1511-L1751 HydrophobicContact CB-CB 4.2Å; P1511-L1751 HydrophobicContact CB-CD1 3.95Å |
| 1512 | E | 91.4 | Very high | 90.4 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | trans | -68.3 | 94.5 | 159 | -67.8 | -178.9 | -165.9 | 0 | 0 | 108.5 | V1514 F1516 R1698 V1700 | E1512-V1514 VanDerWaalsContact C-N 3.26Å; E1512-V1514 HydrophobicContact CB-CG2 4.43Å; E1512-V1514 PolarHBondContact O-N 3.23Å; E1512-F1516 HydrophobicContact CB-CZ 4.09Å; E1512-F1516 WeakPolarHBondContact O-CE2 3.2Å; E1512-R1698 IonicContact OE1-CZ 3.6Å; E1512-R1698 VanDerWaalsContact OE1-CZ 3.28Å; E1512-R1698 IonicContact OE1-NE 2.8Å; E1512-R1698 PolarHBondContact OE1-NE 2.92Å; E1512-R1698 IonicContact OE1-NH2 3.68Å; E1512-R1698 PolarHBondContact OE1-NH2 3Å; E1512-V1700 HydrophobicContact CB-CB 4.44Å; E1512-V1700 PolarHBondContact N-O 2.88Å; E1512-V1700 VanDerWaalsContact N-O 3.09Å | ||
| 1513 | S | 92 | Very high | 90.8 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | trans | -65.5 | 78.1 | -178.8 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | P1511 L1751 E1752 | P1511-S1513 VanDerWaalsContact C-N 3.35Å; P1511-S1513 PolarHBondContact O-N 3.14Å; S1513-L1751 CarbonylContact C-O 3.4Å; S1513-L1751 WeakPolarHBondContact CA-O 3.26Å; S1513-E1752 PolarHBondContact OG-O 3.25Å | ||
| 1514 | V | 91.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 38% | 0.382 | 18% | 0.178 | S | C | . | . | trans | -135.8 | 154.9 | -172.3 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | E1512 F1516 L1751 V1966 | E1512-V1514 VanDerWaalsContact C-N 3.26Å; E1512-V1514 HydrophobicContact CB-CG2 4.43Å; E1512-V1514 PolarHBondContact O-N 3.23Å; V1514-F1516 HydrophobicContact CB-CD2 4.28Å; V1514-F1516 HydrophobicContact CB-CE2 3.78Å; V1514-F1516 HydrophobicContact CB-CZ 3.96Å; V1514-F1516 HydrophobicContact CG1-CE2 4.47Å; V1514-F1516 WeakPolarHBondContact O-CD2 3.33Å; V1514-L1751 PolarHBondContact O-N 2.72Å; V1514-V1966 VanDerWaalsContact C-CG1 3.42Å | ||
| 1515 | F | 93.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.6 | 165.8 | -178.7 | -139.7 | 0 | 0 | 0 | 108.8 | I1517 P1748 C1749 L1750 L1799 F1800 F1803 L1832 V1966 I1967 | F1515-I1517 HydrophobicContact CD1-CD1 4.18Å; F1515-I1517 HydrophobicContact CD1-CG2 3.9Å; F1515-I1517 HydrophobicContact CD2-CG2 4.24Å; F1515-I1517 HydrophobicContact CE1-CD1 4.29Å; F1515-I1517 HydrophobicContact CE1-CG2 3.47Å; F1515-I1517 VanDerWaalsContact CE1-CG2 3.47Å; F1515-I1517 HydrophobicContact CE2-CG2 3.84Å; F1515-I1517 HydrophobicContact CG-CG2 4.27Å; F1515-I1517 HydrophobicContact CZ-CG2 3.43Å; F1515-I1517 VanDerWaalsContact CZ-CG2 3.43Å; F1515-P1748 HydrophobicContact CE2-CB 3.86Å; F1515-P1748 HydrophobicContact CE2-CG 4.3Å; F1515-P1748 HydrophobicContact CZ-CB 4.14Å; F1515-P1748 HydrophobicContact CZ-CG 4.41Å; F1515-C1749 CarbonylContact C-O 3.56Å; F1515-C1749 WeakPolarHBondContact CD2-O 3.3Å; F1515-L1750 HydrophobicContact CB-CD1 4.16Å; F1515-L1750 HydrophobicContact CD2-CB 3.93Å; F1515-L1750 HydrophobicContact CD2-CD1 4.13Å; F1515-L1750 HydrophobicContact CD2-CG 4.43Å; F1515-L1750 HydrophobicContact CG-CD1 4.31Å; F1515-L1799 HydrophobicContact CE1-CD1 4.39Å; F1515-L1799 HydrophobicContact CE1-CD2 4.1Å; F1515-L1799 HydrophobicContact CE1-CG 4.31Å; F1515-L1799 HydrophobicContact CE2-CD2 4.45Å; F1515-L1799 HydrophobicContact CZ-CD2 3.93Å; F1515-L1799 HydrophobicContact CZ-CG 4.04Å; F1515-F1800 HydrophobicContact CD2-CE1 4.47Å; F1515-F1800 AromaticContact CE2-CD1 3.96Å; F1515-F1800 HydrophobicContact CE2-CD1 3.96Å; F1515-F1800 AromaticContact CE2-CE1 3.57Å; F1515-F1800 HydrophobicContact CE2-CE1 3.57Å; F1515-F1800 HydrophobicContact CZ-CD1 4.14Å; F1515-F1800 HydrophobicContact CZ-CE1 4.16Å; F1515-F1803 HydrophobicContact CE1-CD2 4.46Å; F1515-F1803 AromaticContact CE1-CE2 3.77Å; F1515-F1803 HydrophobicContact CE1-CE2 3.77Å; F1515-F1803 AromaticContact CE1-CZ 3.94Å; F1515-F1803 HydrophobicContact CE1-CZ 3.94Å; F1515-F1803 HydrophobicContact CZ-CD2 4.09Å; F1515-F1803 AromaticContact CZ-CE2 3.81Å; F1515-F1803 HydrophobicContact CZ-CE2 3.81Å; F1515-F1803 HydrophobicContact CZ-CZ 4.39Å; F1515-L1832 HydrophobicContact CD1-CD2 4.37Å; F1515-L1832 HydrophobicContact CE1-CD2 4.24Å; F1515-V1966 HydrophobicContact CB-CG1 4.44Å; F1515-I1967 HydrophobicContact CB-CG1 4.09Å; F1515-I1967 HydrophobicContact CD1-CD1 4.39Å; F1515-I1967 HydrophobicContact CD1-CG1 4.08Å; F1515-I1967 HydrophobicContact CG-CG1 4.26Å |
| 1516 | F | 92.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 115.7 | -177.3 | -65.8 | -93.5 | 0 | 0 | 0 | 110.4 | E1512 V1514 I1521 V1700 H1710 C1749 L1751 | E1512-F1516 HydrophobicContact CB-CZ 4.09Å; E1512-F1516 WeakPolarHBondContact O-CE2 3.2Å; V1514-F1516 HydrophobicContact CB-CD2 4.28Å; V1514-F1516 HydrophobicContact CB-CE2 3.78Å; V1514-F1516 HydrophobicContact CB-CZ 3.96Å; V1514-F1516 HydrophobicContact CG1-CE2 4.47Å; V1514-F1516 WeakPolarHBondContact O-CD2 3.33Å; F1516-I1521 HydrophobicContact CB-CD1 3.94Å; F1516-I1521 HydrophobicContact CB-CG1 4.26Å; F1516-I1521 HydrophobicContact CD1-CD1 4.21Å; F1516-I1521 HydrophobicContact CD2-CD1 3.72Å; F1516-I1521 HydrophobicContact CE2-CD1 4.26Å; F1516-I1521 HydrophobicContact CG-CD1 3.69Å; F1516-I1521 HydrophobicContact CG-CG1 4.32Å; F1516-V1700 HydrophobicContact CE1-CB 4.36Å; F1516-V1700 HydrophobicContact CE1-CG1 4.02Å; F1516-V1700 HydrophobicContact CE1-CG2 4.34Å; F1516-V1700 HydrophobicContact CZ-CB 4Å; F1516-V1700 HydrophobicContact CZ-CG1 4.12Å; F1516-V1700 HydrophobicContact CZ-CG2 4.06Å; F1516-H1710 AromaticContact CD1-CE1 3.84Å; F1516-H1710 AromaticContact CD1-CG 3.94Å; F1516-H1710 AromaticContact CD1-ND1 3.78Å; F1516-H1710 HydrophobicContact CE1-CB 4.48Å; F1516-H1710 AromaticContact CE1-ND1 3.8Å; F1516-C1749 HydrophobicContact CB-CB 4.41Å; F1516-C1749 PolarHBondContact N-O 2.68Å; F1516-C1749 PolarHBondContact O-N 3.34Å; F1516-C1749 VanDerWaalsContact O-N 3.11Å; F1516-L1751 HydrophobicContact CD2-CG 4.28Å; F1516-L1751 HydrophobicContact CE2-CD1 3.74Å; F1516-L1751 HydrophobicContact CE2-CG 3.87Å; F1516-L1751 HydrophobicContact CZ-CD1 4.42Å |
| 1517 | I | 89.7 | Confident | 92 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | trans | -142.8 | -6.4 | -174.2 | 46.2 | 171.6 | 0 | 0 | 0 | 112 | F1515 Y1747 P1748 F1803 L1828 L1832 | F1515-I1517 HydrophobicContact CD1-CD1 4.18Å; F1515-I1517 HydrophobicContact CD1-CG2 3.9Å; F1515-I1517 HydrophobicContact CD2-CG2 4.24Å; F1515-I1517 HydrophobicContact CE1-CD1 4.29Å; F1515-I1517 HydrophobicContact CE1-CG2 3.47Å; F1515-I1517 VanDerWaalsContact CE1-CG2 3.47Å; F1515-I1517 HydrophobicContact CE2-CG2 3.84Å; F1515-I1517 HydrophobicContact CG-CG2 4.27Å; F1515-I1517 HydrophobicContact CZ-CG2 3.43Å; F1515-I1517 VanDerWaalsContact CZ-CG2 3.43Å; I1517-Y1747 PolarHBondContact O-OH 3.14Å; I1517-P1748 HydrophobicContact CG2-CB 3.8Å; I1517-F1803 HydrophobicContact CB-CD1 4.21Å; I1517-F1803 HydrophobicContact CB-CE1 4.3Å; I1517-F1803 HydrophobicContact CD1-CE1 4.02Å; I1517-F1803 HydrophobicContact CD1-CZ 4.4Å; I1517-F1803 HydrophobicContact CG2-CD1 3.86Å; I1517-F1803 HydrophobicContact CG2-CD2 4.34Å; I1517-F1803 HydrophobicContact CG2-CE1 3.97Å; I1517-F1803 HydrophobicContact CG2-CE2 4.45Å; I1517-F1803 HydrophobicContact CG2-CG 4.06Å; I1517-F1803 HydrophobicContact CG2-CZ 4.28Å; I1517-L1828 HydrophobicContact CB-CD1 4.34Å; I1517-L1828 HydrophobicContact CB-CD2 4.41Å; I1517-L1828 HydrophobicContact CD1-CD1 4.14Å; I1517-L1828 HydrophobicContact CD1-CD2 3.76Å; I1517-L1828 HydrophobicContact CD1-CG 3.77Å; I1517-L1828 HydrophobicContact CG1-CD1 4.47Å; I1517-L1828 HydrophobicContact CG1-CD2 3.85Å; I1517-L1828 HydrophobicContact CG1-CG 4.32Å; I1517-L1832 HydrophobicContact CD1-CD1 3.86Å; I1517-L1832 HydrophobicContact CD1-CD2 4.2Å; I1517-L1832 HydrophobicContact CD1-CG 4.19Å | ||
| 1518 | D | 86.3 | Confident | 91.9 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -93.4 | -1.9 | 176 | 59.3 | -50 | 0 | 0 | 0 | 113.3 | H1710 K1712 G1713 Y1825 | D1518-H1710 IonicContact OD1-CE1 2.64Å; D1518-H1710 IonicContact OD1-NE2 3.04Å; D1518-H1710 IonicContact OD2-CE1 3.66Å; D1518-H1710 PolarHBondContact OD2-CE1 3.09Å; D1518-H1710 IonicContact OD2-NE2 2.85Å; D1518-K1712 IonicContact OD2-NZ 3.51Å; D1518-K1712 PolarHBondContact OD2-NZ 2.93Å; D1518-G1713 PolarHBondContact O-N 3.46Å; D1518-Y1825 HydrophobicContact CB-CE1 4.33Å |
| 1519 | G | 89.2 | Confident | 92.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -177.2 | 160.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1520 | P | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | trans | -64.5 | 155.3 | 169.8 | 22.8 | -30.9 | 0 | 0 | 0 | 112.9 | L1711 Y1714 A1719 I1745 | P1520-L1711 WeakPolarHBondContact CD-O 3.31Å; P1520-L1711 HydrophobicContact CG-CB 4.29Å; P1520-L1711 PolarHBondContact O-N 2.86Å; P1520-Y1714 VanDerWaalsContact CD-O 3.27Å; P1520-Y1714 WeakPolarHBondContact CD-O 3.48Å; P1520-A1719 HydrophobicContact CB-CB 4.23Å; P1520-A1719 HydrophobicContact CG-CB 3.57Å; P1520-I1745 HydrophobicContact CB-CG2 3.51Å | ||
| 1521 | I | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.1 | 167.4 | -54.2 | -177.1 | 0 | 0 | 0 | 109 | F1516 V1700 F1708 V1709 I1745 Y1746 C1749 | F1516-I1521 HydrophobicContact CB-CD1 3.94Å; F1516-I1521 HydrophobicContact CB-CG1 4.26Å; F1516-I1521 HydrophobicContact CD1-CD1 4.21Å; F1516-I1521 HydrophobicContact CD2-CD1 3.72Å; F1516-I1521 HydrophobicContact CE2-CD1 4.26Å; F1516-I1521 HydrophobicContact CG-CD1 3.69Å; F1516-I1521 HydrophobicContact CG-CG1 4.32Å; I1521-V1700 HydrophobicContact CD1-CG2 4.24Å; I1521-F1708 HydrophobicContact CG2-CB 3.86Å; I1521-F1708 HydrophobicContact CG2-CD1 4.09Å; I1521-F1708 HydrophobicContact CG2-CG 4.37Å; I1521-V1709 CarbonylContact C-O 3.56Å; I1521-V1709 WeakPolarHBondContact CA-O 3.25Å; I1521-I1745 CarbonylContact O-C 3.55Å; I1521-I1745 WeakPolarHBondContact O-CA 3.23Å; I1521-Y1746 PolarHBondContact N-O 3.12Å; I1521-Y1746 PolarHBondContact O-N 2.93Å; I1521-C1749 HydrophobicContact CD1-CB 3.74Å; I1521-C1749 HydrophobicContact CG1-CB 4.29Å |
| 1522 | A | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1709 L1711 A1723 L1742 I1745 | A1522-V1709 PolarHBondContact N-O 2.82Å; A1522-V1709 PolarHBondContact O-N 2.84Å; A1522-L1711 HydrophobicContact CB-CD1 3.95Å; A1522-A1723 HydrophobicContact CB-CB 3.69Å; A1522-L1742 HydrophobicContact CB-CD1 4.45Å; A1522-I1745 HydrophobicContact CB-CG1 4.49Å |
| 1523 | V | 97.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.6 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | F1708 E1743 K1744 Y1746 | V1523-F1708 HydrophobicContact CG1-CD2 4.4Å; V1523-F1708 HydrophobicContact CG1-CE2 3.95Å; V1523-F1708 HydrophobicContact CG1-CZ 4.16Å; V1523-F1708 HydrophobicContact CG2-CD1 4.16Å; V1523-F1708 HydrophobicContact CG2-CE1 3.99Å; V1523-F1708 HydrophobicContact CG2-CE2 4.47Å; V1523-F1708 HydrophobicContact CG2-CG 4.48Å; V1523-F1708 HydrophobicContact CG2-CZ 4.12Å; V1523-E1743 HydrophobicContact CG1-CB 4.42Å; V1523-E1743 PolarHBondContact O-N 3.21Å; V1523-K1744 HydrophobicContact CB-CG 4.2Å; V1523-K1744 HydrophobicContact CG2-CG 4.35Å; V1523-K1744 PolarHBondContact N-O 3.26Å; V1523-Y1746 HydrophobicContact CG2-CD2 3.51Å; V1523-Y1746 HydrophobicContact CG2-CE2 3.55Å; V1523-Y1746 HydrophobicContact CG2-CG 4.4Å |
| 1524 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.8 | 176.8 | -52.4 | -177.5 | 0 | 0 | 0 | 108.9 | S1706 L1707 V1709 A1723 I1726 A1727 L1740 K1741 L1742 | L1524-S1706 CarbonylContact O-C 3.58Å; L1524-S1706 VanDerWaalsContact O-CA 3.25Å; L1524-S1706 WeakPolarHBondContact O-CA 3.39Å; L1524-L1707 PolarHBondContact N-O 3.26Å; L1524-L1707 PolarHBondContact O-N 2.65Å; L1524-V1709 HydrophobicContact CD1-CG2 4.21Å; L1524-A1723 HydrophobicContact CD2-CB 4.18Å; L1524-I1726 HydrophobicContact CD1-CB 4.19Å; L1524-I1726 HydrophobicContact CD1-CG2 3.52Å; L1524-A1727 HydrophobicContact CD2-CB 4.46Å; L1524-L1740 HydrophobicContact CB-CD1 3.9Å; L1524-L1740 HydrophobicContact CB-CD2 3.89Å; L1524-L1740 HydrophobicContact CB-CG 3.89Å; L1524-L1740 HydrophobicContact CD1-CD2 3.76Å; L1524-L1740 HydrophobicContact CD1-CG 4.49Å; L1524-L1740 HydrophobicContact CG-CD2 4.45Å; L1524-K1741 CarbonylContact C-O 3Å; L1524-K1741 WeakPolarHBondContact CA-O 3.1Å; L1524-L1742 HydrophobicContact CD2-CB 3.92Å; L1524-L1742 HydrophobicContact CD2-CD1 3.91Å |
| 1525 | D | 93.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 11.8 Ų | 11.8 | 15% | 0.15 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.6 | -175.8 | -174.2 | 19.7 | 0 | 0 | 0 | 111.2 | K1741 | D1525-K1741 PolarHBondContact N-O 2.89Å; D1525-K1741 PolarHBondContact O-N 3.26Å |
| 1526 | F | 92.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.8 | -178.6 | -84.8 | -69.7 | 0 | 0 | 0 | 110.9 | S1528 L1529 I1672 L1673 A1676 D1705 L1707 V1730 I1738 L1740 | F1526-S1528 PolarHBondContact O-N 2.97Å; F1526-L1529 HydrophobicContact CB-CB 3.86Å; F1526-L1529 HydrophobicContact CB-CD1 4.05Å; F1526-L1529 HydrophobicContact CB-CD2 4.4Å; F1526-L1529 HydrophobicContact CB-CG 4.31Å; F1526-L1529 HydrophobicContact CD1-CD1 4.31Å; F1526-L1529 HydrophobicContact CD2-CD1 4.25Å; F1526-L1529 HydrophobicContact CD2-CD2 4.17Å; F1526-L1529 HydrophobicContact CG-CD1 3.98Å; F1526-L1529 HydrophobicContact CG-CD2 4.5Å; F1526-I1672 HydrophobicContact CE1-CG2 4Å; F1526-I1672 HydrophobicContact CE2-CG2 4.03Å; F1526-I1672 HydrophobicContact CZ-CG2 3.57Å; F1526-L1673 HydrophobicContact CE2-CD1 4.34Å; F1526-A1676 HydrophobicContact CZ-CB 4.34Å; F1526-D1705 HydrophobicContact CB-CB 4.3Å; F1526-D1705 WeakPolarHBondContact CD2-O 3.41Å; F1526-D1705 PolarHBondContact N-O 3.43Å; F1526-L1707 HydrophobicContact CD2-CD1 4.45Å; F1526-L1707 HydrophobicContact CE2-CD1 4Å; F1526-V1730 HydrophobicContact CE1-CG1 4.29Å; F1526-V1730 HydrophobicContact CZ-CG1 3.92Å; F1526-I1738 HydrophobicContact CD1-CG2 4.01Å; F1526-I1738 HydrophobicContact CE1-CG2 3.86Å; F1526-L1740 HydrophobicContact CD1-CB 4.1Å; F1526-L1740 HydrophobicContact CD1-CD1 3.98Å; F1526-L1740 HydrophobicContact CD2-CD1 3.92Å; F1526-L1740 HydrophobicContact CE1-CB 3.93Å; F1526-L1740 HydrophobicContact CE1-CD1 4.1Å; F1526-L1740 HydrophobicContact CE2-CD1 4.05Å; F1526-L1740 HydrophobicContact CG-CD1 3.88Å; F1526-L1740 HydrophobicContact CZ-CD1 4.13Å |
| 1527 | Q | 87.5 | Confident | 92.9 | Very high | 72 Ų | 72 | 13.4 Ų | 13.4 | 34% | 0.336 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 92.1 | -176.4 | -168 | -176.2 | -63 | 0 | 0 | 111.9 | S1532 K1739 | Q1527-S1532 PolarHBondContact O-OG 3.18Å; Q1527-K1739 PolarHBondContact N-O 3.48Å |
| 1528 | S | 86.4 | Confident | 93.1 | Very high | 10 Ų | 10 | 13 Ų | 13 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 63.2 | -178.5 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | F1526 Y1530 P1531 S1532 | F1526-S1528 PolarHBondContact O-N 2.97Å; S1528-Y1530 PolarHBondContact O-N 3.39Å; S1528-P1531 VanDerWaalsContact O-CD 3.25Å; S1528-P1531 WeakPolarHBondContact O-CD 3.38Å; S1528-S1532 WeakPolarHBondContact O-CB 3.43Å; S1528-S1532 PolarHBondContact O-N 2.94Å; S1528-S1532 PolarHBondContact O-OG 3.02Å |
| 1529 | L | 91.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -49.3 | -59.8 | -170.8 | -175.6 | 55.4 | 0 | 0 | 0 | 114.3 | F1526 S1532 V1533 A1669 I1672 D1705 | F1526-L1529 HydrophobicContact CB-CB 3.86Å; F1526-L1529 HydrophobicContact CB-CD1 4.05Å; F1526-L1529 HydrophobicContact CB-CD2 4.4Å; F1526-L1529 HydrophobicContact CB-CG 4.31Å; F1526-L1529 HydrophobicContact CD1-CD1 4.31Å; F1526-L1529 HydrophobicContact CD2-CD1 4.25Å; F1526-L1529 HydrophobicContact CD2-CD2 4.17Å; F1526-L1529 HydrophobicContact CG-CD1 3.98Å; F1526-L1529 HydrophobicContact CG-CD2 4.5Å; L1529-S1532 PolarHBondContact O-N 2.76Å; L1529-S1532 VanDerWaalsContact O-N 3.08Å; L1529-V1533 HydrophobicContact CD1-CG2 4.07Å; L1529-V1533 WeakPolarHBondContact O-CG2 3.38Å; L1529-V1533 PolarHBondContact O-N 3.29Å; L1529-A1669 HydrophobicContact CD2-CB 3.93Å; L1529-A1669 HydrophobicContact CG-CB 4Å; L1529-I1672 HydrophobicContact CD1-CG2 4.32Å; L1529-D1705 HydrophobicContact CB-CB 3.96Å; L1529-D1705 HydrophobicContact CD2-CB 3.86Å |
| 1530 | Y | 94.3 | Very high | 94 | Very high | 22 Ų | 22 | 11.3 Ų | 11.3 | 9% | 0.086 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -177.5 | -52.1 | -37.2 | 0 | 0 | 0 | 113.2 | S1528 S1532 V1533 I1534 F1645 I1665 A1669 | S1528-Y1530 PolarHBondContact O-N 3.39Å; Y1530-S1532 VanDerWaalsContact C-N 3.29Å; Y1530-S1532 PolarHBondContact O-N 2.89Å; Y1530-V1533 PolarHBondContact O-N 3.48Å; Y1530-I1534 WeakPolarHBondContact O-CD1 3.37Å; Y1530-I1534 VanDerWaalsContact O-CG1 3.26Å; Y1530-I1534 WeakPolarHBondContact O-CG1 3.49Å; Y1530-I1534 PolarHBondContact O-N 3.32Å; Y1530-F1645 HydrophobicContact CD2-CB 4.45Å; Y1530-F1645 AromaticContact CD2-CD1 3.45Å; Y1530-F1645 HydrophobicContact CD2-CD1 3.45Å; Y1530-F1645 VanDerWaalsContact CD2-CD1 3.45Å; Y1530-F1645 HydrophobicContact CD2-CD2 4.45Å; Y1530-F1645 AromaticContact CD2-CE1 3.73Å; Y1530-F1645 HydrophobicContact CD2-CE1 3.73Å; Y1530-F1645 AromaticContact CD2-CG 3.85Å; Y1530-F1645 HydrophobicContact CD2-CG 3.85Å; Y1530-F1645 HydrophobicContact CD2-CZ 4.35Å; Y1530-F1645 AromaticContact CE2-CD1 3.86Å; Y1530-F1645 HydrophobicContact CE2-CD1 3.86Å; Y1530-F1645 AromaticContact CE2-CE1 3.67Å; Y1530-F1645 HydrophobicContact CE2-CE1 3.67Å; Y1530-F1645 HydrophobicContact CE2-CZ 4.27Å; Y1530-F1645 HydrophobicContact CG-CD1 4.27Å; Y1530-F1645 HydrophobicContact CG-CG 4.24Å; Y1530-I1665 HydrophobicContact CD1-CG2 4.08Å; Y1530-I1665 HydrophobicContact CG-CG2 4.16Å; Y1530-A1669 HydrophobicContact CD1-CB 3.61Å; Y1530-A1669 HydrophobicContact CE1-CB 3.53Å |
| 1531 | P | 93 | Very high | 93.9 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.032 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -52.2 | -41.4 | 168.7 | -32.3 | 37.7 | 0 | 0 | 0 | 115.1 | S1528 I1534 I1535 L1603 I1607 A1641 | S1528-P1531 VanDerWaalsContact O-CD 3.25Å; S1528-P1531 WeakPolarHBondContact O-CD 3.38Å; P1531-I1534 PolarHBondContact O-N 2.96Å; P1531-I1535 WeakPolarHBondContact O-CG1 3.42Å; P1531-I1535 PolarHBondContact O-N 3.29Å; P1531-L1603 HydrophobicContact CB-CD1 4.47Å; P1531-L1603 HydrophobicContact CB-CD2 4.16Å; P1531-L1603 HydrophobicContact CG-CD2 4.5Å; P1531-I1607 HydrophobicContact CB-CD1 3.89Å; P1531-A1641 HydrophobicContact CG-CB 4.34Å |
| 1532 | S | 92.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 3% | 0.028 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.6 | -39.9 | -179 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | Q1527 S1528 L1529 Y1530 I1535 A1536 | Q1527-S1532 PolarHBondContact O-OG 3.18Å; S1528-S1532 WeakPolarHBondContact O-CB 3.43Å; S1528-S1532 PolarHBondContact O-N 2.94Å; S1528-S1532 PolarHBondContact O-OG 3.02Å; L1529-S1532 PolarHBondContact O-N 2.76Å; L1529-S1532 VanDerWaalsContact O-N 3.08Å; Y1530-S1532 VanDerWaalsContact C-N 3.29Å; Y1530-S1532 PolarHBondContact O-N 2.89Å; S1532-I1535 PolarHBondContact O-N 2.95Å; S1532-A1536 WeakPolarHBondContact O-CB 3.49Å; S1532-A1536 PolarHBondContact O-N 2.98Å |
| 1533 | V | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 171.3 | 168 | 0 | 0 | 0 | 0 | 111.4 | L1529 Y1530 I1535 A1536 Y1537 Y1539 I1665 K1668 A1669 I1672 I1738 | L1529-V1533 HydrophobicContact CD1-CG2 4.07Å; L1529-V1533 WeakPolarHBondContact O-CG2 3.38Å; L1529-V1533 PolarHBondContact O-N 3.29Å; Y1530-V1533 PolarHBondContact O-N 3.48Å; V1533-I1535 VanDerWaalsContact C-N 3.31Å; V1533-I1535 PolarHBondContact O-N 3.46Å; V1533-A1536 PolarHBondContact O-N 3.39Å; V1533-Y1537 HydrophobicContact CG1-CD2 4.24Å; V1533-Y1537 PolarHBondContact O-N 2.89Å; V1533-Y1539 HydrophobicContact CG1-CD2 4.04Å; V1533-Y1539 HydrophobicContact CG1-CE2 3.84Å; V1533-I1665 HydrophobicContact CG1-CG2 4.46Å; V1533-K1668 HydrophobicContact CG1-CB 4.01Å; V1533-K1668 HydrophobicContact CG1-CG 3.82Å; V1533-A1669 HydrophobicContact CG2-CB 4.28Å; V1533-I1672 HydrophobicContact CG2-CD1 3.6Å; V1533-I1738 HydrophobicContact CG2-CD1 4.27Å |
| 1534 | I | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 177.7 | -69 | 162.1 | 0 | 0 | 0 | 110.9 | Y1530 P1531 N1538 Y1539 L1599 P1600 L1603 I1665 | Y1530-I1534 WeakPolarHBondContact O-CD1 3.37Å; Y1530-I1534 VanDerWaalsContact O-CG1 3.26Å; Y1530-I1534 WeakPolarHBondContact O-CG1 3.49Å; Y1530-I1534 PolarHBondContact O-N 3.32Å; P1531-I1534 PolarHBondContact O-N 2.96Å; I1534-N1538 WeakPolarHBondContact O-CA 3.47Å; I1534-N1538 PolarHBondContact O-N 2.87Å; I1534-Y1539 WeakPolarHBondContact CG2-O 3.33Å; I1534-Y1539 PolarHBondContact O-N 3.15Å; I1534-L1599 HydrophobicContact CG2-CB 4.01Å; I1534-P1600 HydrophobicContact CG2-CG 4.11Å; I1534-P1600 WeakPolarHBondContact O-CG 3.39Å; I1534-L1603 HydrophobicContact CB-CD1 3.83Å; I1534-L1603 HydrophobicContact CD1-CD1 3.71Å; I1534-L1603 HydrophobicContact CG1-CD1 4.39Å; I1534-L1603 HydrophobicContact CG2-CD1 3.54Å; I1534-I1665 HydrophobicContact CD1-CD1 3.86Å; I1534-I1665 HydrophobicContact CD1-CG1 4.47Å; I1534-I1665 HydrophobicContact CG1-CD1 3.69Å; I1534-I1665 HydrophobicContact CG1-CG1 3.84Å; I1534-I1665 HydrophobicContact CG1-CG2 4.32Å |
| 1535 | I | 93.7 | Very high | 93.5 | Very high | 32 Ų | 32 | 11.3 Ų | 11.3 | 16% | 0.164 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.2 | -49.3 | 179.3 | -66.1 | 165.5 | 0 | 0 | 0 | 111.4 | P1531 S1532 V1533 L1603 K1604 I1607 P1737 | P1531-I1535 WeakPolarHBondContact O-CG1 3.42Å; P1531-I1535 PolarHBondContact O-N 3.29Å; S1532-I1535 PolarHBondContact O-N 2.95Å; V1533-I1535 VanDerWaalsContact C-N 3.31Å; V1533-I1535 PolarHBondContact O-N 3.46Å; I1535-L1603 HydrophobicContact CD1-CB 3.89Å; I1535-L1603 HydrophobicContact CG1-CB 3.95Å; I1535-K1604 HydrophobicContact CD1-CB 4.45Å; I1535-I1607 HydrophobicContact CD1-CD1 3.83Å; I1535-P1737 HydrophobicContact CB-CG 4.07Å; I1535-P1737 HydrophobicContact CD1-CG 4.23Å; I1535-P1737 HydrophobicContact CG2-CG 3.95Å |
| 1536 | A | 92.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 10 Ų | 10 | 24% | 0.24 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1532 V1533 P1735 I1738 | S1532-A1536 WeakPolarHBondContact O-CB 3.49Å; S1532-A1536 PolarHBondContact O-N 2.98Å; V1533-A1536 PolarHBondContact O-N 3.39Å; A1536-P1735 HydrophobicContact CB-CB 4.28Å; A1536-P1735 HydrophobicContact CB-CG 4.1Å; A1536-I1738 HydrophobicContact CB-CD1 4Å |
| 1537 | Y | 93.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 12 Ų | 12 | 10% | 0.098 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -95.6 | 3.2 | -175 | -64 | -86.7 | 0 | 0 | 0 | 114.2 | V1533 Y1539 N1581 K1668 I1672 P1735 I1738 | V1533-Y1537 HydrophobicContact CG1-CD2 4.24Å; V1533-Y1537 PolarHBondContact O-N 2.89Å; Y1537-Y1539 VanDerWaalsContact C-N 3.29Å; Y1537-Y1539 VanDerWaalsContact CB-CE1 3.48Å; Y1537-Y1539 HydrophobicContact CG-CE1 4.43Å; Y1537-Y1539 PolarHBondContact O-N 3.34Å; Y1537-N1581 PolarHBondContact O-ND2 3.46Å; Y1537-K1668 HydrophobicContact CD2-CD 4.23Å; Y1537-K1668 HydrophobicContact CD2-CG 3.78Å; Y1537-K1668 HydrophobicContact CE1-CD 4.05Å; Y1537-K1668 HydrophobicContact CE2-CD 3.66Å; Y1537-K1668 HydrophobicContact CE2-CG 3.63Å; Y1537-K1668 HydrophobicContact CG-CG 4.32Å; Y1537-I1672 HydrophobicContact CE2-CD1 4.34Å; Y1537-P1735 HydrophobicContact CE1-CG 4.39Å; Y1537-P1735 HydrophobicContact CE2-CG 3.88Å; Y1537-P1735 WeakPolarHBondContact OH-CG 3.18Å; Y1537-I1738 HydrophobicContact CE2-CD1 3.87Å |
| 1538 | N | 95.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 26.7 | 177.6 | -164.3 | 48.4 | 0 | 0 | 0 | 114.9 | I1534 C1540 T1543 V1590 K1592 R1595 G1597 | I1534-N1538 WeakPolarHBondContact O-CA 3.47Å; I1534-N1538 PolarHBondContact O-N 2.87Å; N1538-C1540 PolarHBondContact O-N 3.22Å; N1538-T1543 PolarHBondContact O-OG1 3.26Å; N1538-V1590 PolarHBondContact ND2-O 3.42Å; N1538-K1592 PolarHBondContact ND2-N 3.05Å; N1538-R1595 PolarHBondContact ND2-O 2.84Å; N1538-G1597 PolarHBondContact OD1-N 2.9Å |
| 1539 | Y | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -67.7 | 117.5 | -177.4 | -63.8 | -19 | 0 | 0 | 0 | 112 | V1533 I1534 Y1537 S1583 F1589 S1664 I1665 K1668 | V1533-Y1539 HydrophobicContact CG1-CD2 4.04Å; V1533-Y1539 HydrophobicContact CG1-CE2 3.84Å; I1534-Y1539 WeakPolarHBondContact CG2-O 3.33Å; I1534-Y1539 PolarHBondContact O-N 3.15Å; Y1537-Y1539 VanDerWaalsContact C-N 3.29Å; Y1537-Y1539 VanDerWaalsContact CB-CE1 3.48Å; Y1537-Y1539 HydrophobicContact CG-CE1 4.43Å; Y1537-Y1539 PolarHBondContact O-N 3.34Å; Y1539-S1583 WeakPolarHBondContact OH-CB 3.32Å; Y1539-F1589 HydrophobicContact CD1-CB 4.43Å; Y1539-F1589 HydrophobicContact CD1-CD1 4.13Å; Y1539-F1589 AromaticContact CD1-CD2 3.55Å; Y1539-F1589 HydrophobicContact CD1-CD2 3.55Å; Y1539-F1589 HydrophobicContact CD1-CE1 4.25Å; Y1539-F1589 AromaticContact CD1-CE2 3.69Å; Y1539-F1589 HydrophobicContact CD1-CE2 3.69Å; Y1539-F1589 AromaticContact CD1-CG 3.78Å; Y1539-F1589 HydrophobicContact CD1-CG 3.78Å; Y1539-F1589 HydrophobicContact CD1-CZ 4.05Å; Y1539-F1589 AromaticContact CE1-CD2 3.66Å; Y1539-F1589 HydrophobicContact CE1-CD2 3.66Å; Y1539-F1589 AromaticContact CE1-CE2 3.86Å; Y1539-F1589 HydrophobicContact CE1-CE2 3.86Å; Y1539-F1589 HydrophobicContact CE1-CG 4.28Å; Y1539-F1589 HydrophobicContact CG-CE2 4.33Å; Y1539-F1589 HydrophobicContact CG-CZ 4.31Å; Y1539-S1664 WeakPolarHBondContact CE2-O 3.25Å; Y1539-I1665 HydrophobicContact CD2-CG1 3.88Å; Y1539-K1668 HydrophobicContact CE2-CB 3.95Å; Y1539-K1668 HydrophobicContact CE2-CG 4.3Å | ||
| 1540 | C | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -159.3 | 152.8 | 179.9 | -174 | 0 | 0 | 0 | 0 | 111.2 | N1538 S1542 T1543 L1544 I1598 L1599 | N1538-C1540 PolarHBondContact O-N 3.22Å; C1540-S1542 PolarHBondContact O-N 3.23Å; C1540-S1542 PolarHBondContact SG-OG 3.41Å; C1540-T1543 HydrophobicContact CB-CG2 4.37Å; C1540-T1543 WeakPolarHBondContact CB-OG1 3.39Å; C1540-T1543 PolarHBondContact N-OG1 3.1Å; C1540-T1543 VanDerWaalsContact N-OG1 3.1Å; C1540-T1543 PolarHBondContact O-N 3.46Å; C1540-T1543 PolarHBondContact O-OG1 3.11Å; C1540-T1543 VanDerWaalsContact O-OG1 3.08Å; C1540-L1544 WeakPolarHBondContact O-CB 3.47Å; C1540-L1544 PolarHBondContact O-N 3Å; C1540-I1598 PolarHBondContact SG-N 3.16Å; C1540-L1599 HydrophobicContact CB-CB 4.44Å; C1540-L1599 PolarHBondContact SG-N 3.43Å; C1540-L1599 VanDerWaalsContact SG-N 3.41Å | ||
| 1541 | Y | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -37.4 | 170.9 | -56.9 | -88.6 | 0 | 0 | 0 | 112.8 | I116 Y117 G118 L1599 Y1647 T1648 M1656 C1658 L1661 | I116-Y1541 CarbonylContact O-C 3.54Å; I116-Y1541 WeakPolarHBondContact O-CB 3.47Å; Y117-Y1541 AromaticContact CD2-CD1 3.99Å; Y117-Y1541 HydrophobicContact CD2-CD1 3.99Å; Y117-Y1541 HydrophobicContact CD2-CE1 4.47Å; Y117-Y1541 HydrophobicContact CE2-CD1 4.14Å; Y117-Y1541 HydrophobicContact CE2-CE1 4.36Å; G118-Y1541 CarbonylContact C-O 3.55Å; G118-Y1541 WeakPolarHBondContact CA-O 3.49Å; G118-Y1541 PolarHBondContact N-O 3.12Å; Y1541-L1599 HydrophobicContact CD2-CD1 3.98Å; Y1541-L1599 HydrophobicContact CD2-CG 4.3Å; Y1541-L1599 HydrophobicContact CE2-CD1 3.86Å; Y1541-L1599 HydrophobicContact CE2-CD2 4.44Å; Y1541-L1599 HydrophobicContact CE2-CG 4.4Å; Y1541-Y1647 WeakPolarHBondContact OH-CD1 3.34Å; Y1541-T1648 HydrophobicContact CE2-CG2 3.99Å; Y1541-M1656 HydrophobicContact CD1-CE 3.91Å; Y1541-M1656 HydrophobicContact CD2-CE 3.86Å; Y1541-M1656 HydrophobicContact CE1-CE 3.6Å; Y1541-M1656 WeakPolarHBondContact CE1-O 3.45Å; Y1541-M1656 HydrophobicContact CE2-CE 3.57Å; Y1541-M1656 HydrophobicContact CG-CE 4.01Å; Y1541-M1656 VanDerWaalsContact CZ-CE 3.41Å; Y1541-M1656 PolarHBondContact OH-O 3.04Å; Y1541-C1658 HydrophobicContact CD1-CB 3.77Å; Y1541-C1658 HydrophobicContact CE1-CB 3.51Å; Y1541-L1661 HydrophobicContact CD1-CD2 3.93Å; Y1541-L1661 HydrophobicContact CD2-CD2 3.86Å; Y1541-L1661 HydrophobicContact CE1-CD2 4.07Å; Y1541-L1661 HydrophobicContact CE2-CD2 3.99Å; Y1541-L1661 HydrophobicContact CG-CD2 3.84Å |
| 1542 | S | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1.3 | -173.9 | 65.4 | 0 | 0 | 0 | 0 | 115 | I116 C1540 R1595 | I116-S1542 WeakPolarHBondContact O-CA 3.12Å; I116-S1542 PolarHBondContact O-N 3.08Å; I116-S1542 VanDerWaalsContact O-N 3.09Å; C1540-S1542 PolarHBondContact O-N 3.23Å; C1540-S1542 PolarHBondContact SG-OG 3.41Å; S1542-R1595 WeakPolarHBondContact O-CD 3.4Å |
| 1543 | T | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -14.4 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | N1538 C1540 F1589 V1590 R1595 | N1538-T1543 PolarHBondContact O-OG1 3.26Å; C1540-T1543 HydrophobicContact CB-CG2 4.37Å; C1540-T1543 WeakPolarHBondContact CB-OG1 3.39Å; C1540-T1543 PolarHBondContact N-OG1 3.1Å; C1540-T1543 VanDerWaalsContact N-OG1 3.1Å; C1540-T1543 PolarHBondContact O-N 3.46Å; C1540-T1543 PolarHBondContact O-OG1 3.11Å; C1540-T1543 VanDerWaalsContact O-OG1 3.08Å; T1543-F1589 CarbonylContact O-C 3.56Å; T1543-F1589 WeakPolarHBondContact O-CA 3.37Å; T1543-V1590 HydrophobicContact CG2-CG2 3.98Å; T1543-V1590 PolarHBondContact O-N 2.73Å; T1543-R1595 HydrophobicContact CG2-CG 4.34Å; T1543-R1595 WeakPolarHBondContact CG2-O 3.32Å |
| 1544 | L | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 122.8 | 174.6 | 174.8 | 58.7 | 0 | 0 | 0 | 112.3 | G118 Y119 C1540 L1561 V1587 F1589 | G118-L1544 CarbonylContact C-O 3.58Å; Y119-L1544 WeakPolarHBondContact CB-O 3.43Å; Y119-L1544 PolarHBondContact N-O 3.2Å; C1540-L1544 WeakPolarHBondContact O-CB 3.47Å; C1540-L1544 PolarHBondContact O-N 3Å; L1544-L1561 HydrophobicContact CD1-CD1 4.18Å; L1544-L1561 HydrophobicContact CD2-CD1 3.76Å; L1544-L1561 HydrophobicContact CD2-CD2 3.95Å; L1544-L1561 HydrophobicContact CD2-CG 3.92Å; L1544-L1561 HydrophobicContact CG-CD1 3.92Å; L1544-L1561 HydrophobicContact CG-CD2 4.07Å; L1544-L1561 HydrophobicContact CG-CG 4.37Å; L1544-V1587 HydrophobicContact CD1-CG1 3.16Å; L1544-F1589 HydrophobicContact CB-CD1 4Å; L1544-F1589 HydrophobicContact CB-CE1 3.82Å; L1544-F1589 HydrophobicContact CD1-CD1 4.35Å; L1544-F1589 HydrophobicContact CD1-CE1 3.83Å; L1544-F1589 HydrophobicContact CD1-CZ 3.97Å; L1544-F1589 HydrophobicContact CG-CE1 4.35Å |
| 1545 | L | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -49 | 172.4 | -73.1 | 161.7 | 0 | 0 | 0 | 111.5 | Y119 W306 L1551 F1559 H1566 L1568 I1576 V1580 V1588 V1590 | Y119-L1545 HydrophobicContact CD1-CD2 3.97Å; Y119-L1545 HydrophobicContact CG-CD2 4.19Å; W306-L1545 HydrophobicContact CH2-CD1 4.34Å; L1545-L1551 HydrophobicContact CB-CD1 4.29Å; L1545-F1559 WeakPolarHBondContact O-CZ 3.36Å; L1545-H1566 PolarHBondContact O-CD2 2.91Å; L1545-L1568 HydrophobicContact CD2-CD1 4.07Å; L1545-L1568 HydrophobicContact CD2-CD2 3.89Å; L1545-I1576 HydrophobicContact CD1-CD1 4.05Å; L1545-I1576 HydrophobicContact CD2-CD1 3.92Å; L1545-V1580 HydrophobicContact CD1-CG1 4.25Å; L1545-V1588 HydrophobicContact CB-CB 4.35Å; L1545-V1588 HydrophobicContact CD1-CG1 3.88Å; L1545-V1588 PolarHBondContact N-O 2.7Å; L1545-V1590 HydrophobicContact CD1-CG1 3.87Å; L1545-V1590 HydrophobicContact CG-CG1 4.21Å |
| 1546 | G | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.6 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1588 | G1546-V1588 PolarHBondContact O-N 3.09Å |
| 1547 | R | 91.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 30 Ų | 30 | 17% | 0.17 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.8 | 166.3 | -72.1 | -176.9 | -174.1 | -141.4 | 0.1 | 109.1 | E1503 S1549 C1550 L1551 V1587 D1660 | E1503-R1547 IonicContact OE1-CZ 3.9Å; E1503-R1547 VanDerWaalsContact OE1-CZ 3.28Å; E1503-R1547 IonicContact OE1-NH1 3.35Å; E1503-R1547 PolarHBondContact OE1-NH1 2.81Å; E1503-R1547 IonicContact OE1-NH2 3.64Å; E1503-R1547 PolarHBondContact OE1-NH2 2.92Å; E1503-R1547 IonicContact OE2-NH1 2.71Å; R1547-S1549 PolarHBondContact O-N 2.73Å; R1547-S1549 VanDerWaalsContact O-N 3.14Å; R1547-C1550 PolarHBondContact O-N 2.89Å; R1547-L1551 PolarHBondContact O-N 3.32Å; R1547-V1587 HydrophobicContact CG-CG2 3.89Å; R1547-D1660 IonicContact CZ-OD1 3.15Å; R1547-D1660 IonicContact NE-OD1 2.69Å; R1547-D1660 PolarHBondContact NE-OD1 3.14Å; R1547-D1660 IonicContact NH2-OD1 2.77Å; R1547-D1660 PolarHBondContact NH2-OD1 3.45Å; R1547-D1660 VanDerWaalsContact NH2-OD1 3.15Å |
| 1548 | L | 89.2 | Confident | 87 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.1 | -34.6 | -177.2 | -175.4 | 62.7 | 0 | 0 | 0 | 112.7 | Y302 Q305 W306 C1550 L1551 L1552 G1586 V1588 | Y302-L1548 HydrophobicContact CD1-CD2 3.92Å; Y302-L1548 HydrophobicContact CG-CD2 4.41Å; Q305-L1548 HydrophobicContact CB-CD2 3.79Å; W306-L1548 HydrophobicContact CE3-CD1 3.64Å; W306-L1548 HydrophobicContact CZ3-CD1 4.34Å; L1548-C1550 VanDerWaalsContact C-N 3.27Å; L1548-C1550 PolarHBondContact O-N 3.16Å; L1548-L1551 PolarHBondContact O-N 2.78Å; L1548-L1551 VanDerWaalsContact O-N 3.09Å; L1548-L1552 HydrophobicContact CG-CD1 4.47Å; L1548-L1552 WeakPolarHBondContact O-CG 3.4Å; L1548-L1552 PolarHBondContact O-N 2.71Å; L1548-G1586 WeakPolarHBondContact CB-O 3.4Å; L1548-G1586 PolarHBondContact N-O 3.26Å; L1548-V1588 HydrophobicContact CB-CG2 4.15Å; L1548-V1588 HydrophobicContact CD1-CG2 4.11Å |
| 1549 | S | 87.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53 | -40.2 | 173.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | R1547 | R1547-S1549 PolarHBondContact O-N 2.73Å; R1547-S1549 VanDerWaalsContact O-N 3.14Å |
| 1550 | C | 85.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.1 | -24.2 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | R1547 L1548 L1552 E1553 F1559 | R1547-C1550 PolarHBondContact O-N 2.89Å; L1548-C1550 VanDerWaalsContact C-N 3.27Å; L1548-C1550 PolarHBondContact O-N 3.16Å; C1550-L1552 VanDerWaalsContact C-N 3.33Å; C1550-E1553 WeakPolarHBondContact O-CB 3.46Å; C1550-E1553 PolarHBondContact O-N 3.45Å; C1550-F1559 HydrophobicContact CB-CB 3.82Å; C1550-F1559 HydrophobicContact CB-CD1 4.23Å; C1550-F1559 HydrophobicContact CB-CD2 4.25Å; C1550-F1559 HydrophobicContact CB-CG 3.85Å |
| 1551 | L | 84.5 | Confident | 86 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.1 | -27.9 | 174.8 | -55.6 | -177.7 | 0 | 0 | 0 | 111.4 | W306 L309 L1545 R1547 L1548 E1553 G1554 F1559 L1568 V1588 | W306-L1551 HydrophobicContact CZ3-CD1 3.82Å; L309-L1551 WeakPolarHBondContact CD1-O 3.21Å; L1545-L1551 HydrophobicContact CB-CD1 4.29Å; R1547-L1551 PolarHBondContact O-N 3.32Å; L1548-L1551 PolarHBondContact O-N 2.78Å; L1548-L1551 VanDerWaalsContact O-N 3.09Å; L1551-E1553 PolarHBondContact O-N 3.07Å; L1551-G1554 PolarHBondContact O-N 3.38Å; L1551-F1559 HydrophobicContact CD2-CE1 4Å; L1551-F1559 HydrophobicContact CD2-CZ 3.95Å; L1551-L1568 HydrophobicContact CD2-CD1 3.62Å; L1551-L1568 HydrophobicContact CD2-CG 4.39Å; L1551-V1588 HydrophobicContact CD1-CB 4.1Å; L1551-V1588 HydrophobicContact CD1-CG2 3.85Å |
| 1552 | L | 82.2 | Confident | 85.7 | Confident | 78 Ų | 78 | 39.7 Ų | 39.7 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.9 | 171 | -71 | 162 | 0 | 0 | 0 | 113.7 | L309 L1548 C1550 G1554 | L309-L1552 HydrophobicContact CB-CD2 4.27Å; L309-L1552 HydrophobicContact CD1-CD2 3.87Å; L309-L1552 HydrophobicContact CD1-CG 4.31Å; L1548-L1552 HydrophobicContact CG-CD1 4.47Å; L1548-L1552 WeakPolarHBondContact O-CG 3.4Å; L1548-L1552 PolarHBondContact O-N 2.71Å; C1550-L1552 VanDerWaalsContact C-N 3.33Å; L1552-G1554 VanDerWaalsContact C-N 3.29Å |
| 1553 | E | 76.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 40.1 Ų | 40.1 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.4 | 176.7 | -62.7 | 174.7 | -158.6 | 0 | 0 | 112.9 | C1550 L1551 V1557 | C1550-E1553 WeakPolarHBondContact O-CB 3.46Å; C1550-E1553 PolarHBondContact O-N 3.45Å; L1551-E1553 PolarHBondContact O-N 3.07Å; E1553-V1557 HydrophobicContact CB-CG1 4.49Å |
| 1554 | G | 70 | Confident | 85.3 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | trans | 119.5 | 165.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1551 L1552 | L1551-G1554 PolarHBondContact O-N 3.38Å; L1552-G1554 VanDerWaalsContact C-N 3.29Å | ||
| 1555 | E | 69.7 | Low | 85 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.7 | 162.1 | 171.4 | -67.6 | 177.7 | 131.9 | 0 | 0 | 111.1 | Q313 V1557 G1571 L1572 I1573 | Q313-E1555 PolarHBondContact NE2-OE2 3.34Å; Q313-E1555 VanDerWaalsContact NE2-OE2 3.14Å; E1555-V1557 PolarHBondContact O-N 2.84Å; E1555-G1571 VanDerWaalsContact CD-N 3.27Å; E1555-G1571 PolarHBondContact OE1-N 2.81Å; E1555-G1571 PolarHBondContact OE2-N 2.91Å; E1555-L1572 PolarHBondContact OE1-N 2.82Å; E1555-I1573 HydrophobicContact CG-CD1 3.82Å; E1555-I1573 HydrophobicContact CG-CG1 4.22Å; E1555-I1573 PolarHBondContact OE1-N 3.22Å |
| 1556 | E | 73.3 | Confident | 84.9 | Confident | 128 Ų | 128 | 45.7 Ų | 45.7 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 62.9 | -13.5 | -173.6 | -54 | -168.5 | 176.3 | 0 | 0 | 116.7 | L1568 S1570 | E1556-L1568 WeakPolarHBondContact CA-O 3.31Å; E1556-L1568 PolarHBondContact N-O 3.45Å; E1556-S1570 WeakPolarHBondContact OE1-CB 3.16Å; E1556-S1570 PolarHBondContact OE1-OG 3.22Å |
| 1557 | V | 79.6 | Confident | 84.7 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | trans | -59.9 | 136.4 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | E1553 E1555 S1567 | E1553-V1557 HydrophobicContact CB-CG1 4.49Å; E1555-V1557 PolarHBondContact O-N 2.84Å; V1557-S1567 WeakPolarHBondContact O-CA 3.25Å; V1557-S1567 WeakPolarHBondContact O-CB 3.22Å | ||
| 1558 | S | 84.7 | Confident | 84.4 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.3 | 176.3 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | H1566 | S1558-H1566 CarbonylContact C-O 3.59Å; S1558-H1566 WeakPolarHBondContact CA-O 3.25Å |
| 1559 | F | 89 | Confident | 84.2 | Confident | 14 Ų | 14 | 49 Ų | 49 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 165 | 179.1 | 54.6 | -92.5 | 0 | 0 | 0 | 111.6 | L1545 C1550 L1551 L1561 S1565 H1566 L1568 | L1545-F1559 WeakPolarHBondContact O-CZ 3.36Å; C1550-F1559 HydrophobicContact CB-CB 3.82Å; C1550-F1559 HydrophobicContact CB-CD1 4.23Å; C1550-F1559 HydrophobicContact CB-CD2 4.25Å; C1550-F1559 HydrophobicContact CB-CG 3.85Å; L1551-F1559 HydrophobicContact CD2-CE1 4Å; L1551-F1559 HydrophobicContact CD2-CZ 3.95Å; F1559-L1561 HydrophobicContact CE2-CD1 4.48Å; F1559-S1565 CarbonylContact O-C 3.6Å; F1559-S1565 VanDerWaalsContact O-CA 3.25Å; F1559-S1565 WeakPolarHBondContact O-CA 3.42Å; F1559-H1566 HydrophobicContact CE2-CB 4.05Å; F1559-H1566 HydrophobicContact CZ-CB 4.28Å; F1559-H1566 AromaticContact CZ-CD2 3.91Å; F1559-H1566 PolarHBondContact N-O 2.82Å; F1559-H1566 PolarHBondContact O-N 3.24Å; F1559-L1568 HydrophobicContact CE1-CG 4.45Å; F1559-L1568 HydrophobicContact CZ-CG 4.48Å |
| 1560 | N | 87.8 | Confident | 83.9 | Confident | 118 Ų | 118 | 48.9 Ų | 48.9 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 137.7 | 175.6 | -70.2 | -26.4 | 0 | 0 | 0 | 111.1 | S1565 | N1560-S1565 PolarHBondContact OD1-OG 3.49Å |
| 1561 | L | 90.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 101.9 | 179.4 | -169.4 | 65.2 | 0 | 0 | 0 | 107.4 | Y117 L1544 F1559 C1563 L1564 H1566 | Y117-L1561 HydrophobicContact CD1-CD2 4.37Å; Y117-L1561 HydrophobicContact CE1-CB 4.21Å; Y117-L1561 HydrophobicContact CE1-CD2 4.16Å; Y117-L1561 HydrophobicContact CE1-CG 4.06Å; Y117-L1561 WeakPolarHBondContact CE1-O 3.31Å; Y117-L1561 VanDerWaalsContact CZ-O 3.29Å; Y117-L1561 PolarHBondContact OH-O 2.92Å; L1544-L1561 HydrophobicContact CD1-CD1 4.18Å; L1544-L1561 HydrophobicContact CD2-CD1 3.76Å; L1544-L1561 HydrophobicContact CD2-CD2 3.95Å; L1544-L1561 HydrophobicContact CD2-CG 3.92Å; L1544-L1561 HydrophobicContact CG-CD1 3.92Å; L1544-L1561 HydrophobicContact CG-CD2 4.07Å; L1544-L1561 HydrophobicContact CG-CG 4.37Å; F1559-L1561 HydrophobicContact CE2-CD1 4.48Å; L1561-C1563 PolarHBondContact O-N 3.36Å; L1561-L1564 CarbonylContact C-O 3.46Å; L1561-L1564 PolarHBondContact N-O 3.12Å; L1561-L1564 PolarHBondContact O-N 3.27Å; L1561-L1564 VanDerWaalsContact O-N 3.12Å; L1561-H1566 HydrophobicContact CB-CB 4.1Å; L1561-H1566 HydrophobicContact CD2-CB 3.95Å |
| 1562 | G | 88.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | -111.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y117 Q1499 D1660 | Y117-G1562 VanDerWaalsContact OH-CA 3.3Å; Y117-G1562 WeakPolarHBondContact OH-CA 3.21Å; Q1499-G1562 WeakPolarHBondContact CA-O 3.47Å; Q1499-G1562 VanDerWaalsContact CB-O 3.29Å; Q1499-G1562 WeakPolarHBondContact CB-O 3.41Å; G1562-D1660 PolarHBondContact N-OD2 2.88Å |
| 1563 | C | 90.1 | Very high | 84.1 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.6 | -175.3 | -58 | 0 | 0 | 0 | 0 | 115.8 | Y117 P1491 Q1499 L1561 | Y117-C1563 PolarHBondContact OH-N 2.88Å; P1491-C1563 HydrophobicContact CB-CB 3.96Å; P1491-C1563 HydrophobicContact CG-CB 4.02Å; Q1499-C1563 VanDerWaalsContact CD-SG 3.58Å; Q1499-C1563 PolarHBondContact OE1-SG 2.87Å; L1561-C1563 PolarHBondContact O-N 3.36Å |
| 1564 | L | 91.6 | Very high | 84.4 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.9 | -169.8 | -62.9 | 174.7 | 0 | 0 | 0 | 111.2 | Y117 Q155 P1489 L1561 | Y117-L1564 HydrophobicContact CD1-CB 4.31Å; Y117-L1564 HydrophobicContact CD1-CD1 4Å; Y117-L1564 HydrophobicContact CD2-CD1 4.13Å; Y117-L1564 HydrophobicContact CE1-CB 4.09Å; Y117-L1564 HydrophobicContact CE1-CD1 4.34Å; Y117-L1564 HydrophobicContact CE2-CD1 4.44Å; Y117-L1564 HydrophobicContact CG-CD1 3.89Å; Q155-L1564 HydrophobicContact CG-CD2 4.39Å; P1489-L1564 HydrophobicContact CB-CD1 3.65Å; P1489-L1564 HydrophobicContact CG-CD1 3.67Å; L1561-L1564 CarbonylContact C-O 3.46Å; L1561-L1564 PolarHBondContact N-O 3.12Å; L1561-L1564 PolarHBondContact O-N 3.27Å; L1561-L1564 VanDerWaalsContact O-N 3.12Å |
| 1565 | S | 89.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140.9 | 171.1 | -47.8 | 0 | 0 | 0 | 0 | 111 | F1559 N1560 | F1559-S1565 CarbonylContact O-C 3.6Å; F1559-S1565 VanDerWaalsContact O-CA 3.25Å; F1559-S1565 WeakPolarHBondContact O-CA 3.42Å; N1560-S1565 PolarHBondContact OD1-OG 3.49Å |
| 1566 | H | 90 | Very high | 86.1 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.3 | 177.8 | -169.3 | 41.1 | 0 | 0 | 0 | 109.8 | H120 L1545 S1558 F1559 L1561 | H120-H1566 AromaticContact CE1-CE1 3.57Å; H120-H1566 AromaticContact CE1-ND1 3.71Å; H120-H1566 AromaticContact NE2-CE1 3.66Å; H120-H1566 AromaticContact NE2-ND1 3.92Å; L1545-H1566 PolarHBondContact O-CD2 2.91Å; S1558-H1566 CarbonylContact C-O 3.59Å; S1558-H1566 WeakPolarHBondContact CA-O 3.25Å; F1559-H1566 HydrophobicContact CE2-CB 4.05Å; F1559-H1566 HydrophobicContact CZ-CB 4.28Å; F1559-H1566 AromaticContact CZ-CD2 3.91Å; F1559-H1566 PolarHBondContact N-O 2.82Å; F1559-H1566 PolarHBondContact O-N 3.24Å; L1561-H1566 HydrophobicContact CB-CB 4.1Å; L1561-H1566 HydrophobicContact CD2-CB 3.95Å |
| 1567 | S | 87.4 | Confident | 86.8 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 40% | 0.399 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 145.3 | 172.8 | 57.2 | 0 | 0 | 0 | 0 | 108.9 | V1557 | V1557-S1567 WeakPolarHBondContact O-CA 3.25Å; V1557-S1567 WeakPolarHBondContact O-CB 3.22Å |
| 1568 | L | 86.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 136.9 | 178.8 | -60.8 | -172.7 | 0 | 0 | 0 | 110.6 | L1545 L1551 E1556 F1559 L1572 I1573 | L1545-L1568 HydrophobicContact CD2-CD1 4.07Å; L1545-L1568 HydrophobicContact CD2-CD2 3.89Å; L1551-L1568 HydrophobicContact CD2-CD1 3.62Å; L1551-L1568 HydrophobicContact CD2-CG 4.39Å; E1556-L1568 WeakPolarHBondContact CA-O 3.31Å; E1556-L1568 PolarHBondContact N-O 3.45Å; F1559-L1568 HydrophobicContact CE1-CG 4.45Å; F1559-L1568 HydrophobicContact CZ-CG 4.48Å; L1568-L1572 HydrophobicContact CD2-CD2 4.3Å; L1568-I1573 HydrophobicContact CD1-CD1 4.24Å; L1568-I1573 HydrophobicContact CD1-CG1 4.08Å |
| 1569 | P | 83.5 | Confident | 87.4 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 147 | 169.5 | -20.7 | 31.7 | 0 | 0 | 0 | 112.1 | L1572 | P1569-L1572 WeakPolarHBondContact O-CB 3.47Å; P1569-L1572 PolarHBondContact O-N 3.21Å |
| 1570 | S | 81 | Confident | 87.6 | Confident | 69 Ų | 69 | 47 Ų | 47 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 142.8 | 172.8 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | E1556 L1572 | E1556-S1570 WeakPolarHBondContact OE1-CB 3.16Å; E1556-S1570 PolarHBondContact OE1-OG 3.22Å; S1570-L1572 PolarHBondContact O-N 2.88Å |
| 1571 | G | 83.4 | Confident | 87.8 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 12 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | E1555 R1575 | E1555-G1571 VanDerWaalsContact CD-N 3.27Å; E1555-G1571 PolarHBondContact OE1-N 2.81Å; E1555-G1571 PolarHBondContact OE2-N 2.91Å; G1571-R1575 VanDerWaalsContact O-CG 3.29Å; G1571-R1575 WeakPolarHBondContact O-CG 3.27Å; G1571-R1575 PolarHBondContact O-N 2.84Å; G1571-R1575 PolarHBondContact O-NE 2.97Å |
| 1572 | L | 86.6 | Confident | 88 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.8 | -43.9 | 177.8 | 179.3 | 60.6 | 0 | 0 | 0 | 111.5 | Y119 E121 E1555 L1568 P1569 S1570 K1574 R1575 I1576 | Y119-L1572 HydrophobicContact CD1-CD2 4.09Å; Y119-L1572 HydrophobicContact CE1-CD1 4.22Å; Y119-L1572 HydrophobicContact CE1-CD2 4.17Å; E121-L1572 HydrophobicContact CB-CD1 4.34Å; E1555-L1572 PolarHBondContact OE1-N 2.82Å; L1568-L1572 HydrophobicContact CD2-CD2 4.3Å; P1569-L1572 WeakPolarHBondContact O-CB 3.47Å; P1569-L1572 PolarHBondContact O-N 3.21Å; S1570-L1572 PolarHBondContact O-N 2.88Å; L1572-K1574 VanDerWaalsContact C-N 3.32Å; L1572-K1574 PolarHBondContact O-N 3.25Å; L1572-R1575 PolarHBondContact O-N 2.56Å; L1572-I1576 HydrophobicContact CD1-CD1 3.91Å; L1572-I1576 HydrophobicContact CD1-CG1 4.14Å; L1572-I1576 HydrophobicContact CD2-CD1 4.34Å; L1572-I1576 HydrophobicContact CG-CD1 3.81Å; L1572-I1576 HydrophobicContact CG-CG1 4.42Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.4Å; L1572-I1576 PolarHBondContact O-N 3.18Å |
| 1573 | I | 86.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | -177.3 | -62.2 | 172.3 | 0 | 0 | 0 | 109.9 | W306 L309 L310 E1555 L1568 R1575 I1576 G1577 | W306-I1573 HydrophobicContact CH2-CB 4.38Å; W306-I1573 HydrophobicContact CH2-CG1 4.29Å; W306-I1573 HydrophobicContact CH2-CG2 3.45Å; W306-I1573 VanDerWaalsContact CH2-CG2 3.45Å; W306-I1573 HydrophobicContact CZ2-CG2 3.72Å; W306-I1573 HydrophobicContact CZ3-CG2 3.98Å; L309-I1573 HydrophobicContact CD2-CB 4.47Å; L309-I1573 HydrophobicContact CD2-CD1 4.15Å; L309-I1573 HydrophobicContact CD2-CG2 3.49Å; L309-I1573 VanDerWaalsContact CD2-CG2 3.49Å; L310-I1573 HydrophobicContact CD2-CG2 3.93Å; E1555-I1573 HydrophobicContact CG-CD1 3.82Å; E1555-I1573 HydrophobicContact CG-CG1 4.22Å; E1555-I1573 PolarHBondContact OE1-N 3.22Å; L1568-I1573 HydrophobicContact CD1-CD1 4.24Å; L1568-I1573 HydrophobicContact CD1-CG1 4.08Å; I1573-R1575 PolarHBondContact O-N 3.1Å; I1573-I1576 PolarHBondContact O-N 3.2Å; I1573-I1576 VanDerWaalsContact O-N 3.1Å; I1573-G1577 PolarHBondContact O-N 2.76Å |
| 1574 | K | 84.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.5 | -30.8 | 174.5 | -166 | 165.4 | -169.1 | 159.7 | 0 | 114.1 | Q313 H314 L1572 | Q313-K1574 PolarHBondContact O-NZ 2.62Å; H314-K1574 WeakPolarHBondContact NE2-CE 3.3Å; L1572-K1574 VanDerWaalsContact C-N 3.32Å; L1572-K1574 PolarHBondContact O-N 3.25Å |
| 1575 | R | 86.8 | Confident | 88.2 | Confident | 138 Ų | 138 | 43.7 Ų | 43.7 | 52% | 0.521 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.7 | -23.1 | 177.4 | -72.5 | 178.6 | -66.2 | 139.7 | 5.2 | 113.7 | E121 G1571 L1572 I1573 | E121-R1575 IonicContact OE1-CZ 2.76Å; E121-R1575 IonicContact OE1-NH1 2.7Å; E121-R1575 PolarHBondContact OE1-NH1 3.15Å; E121-R1575 IonicContact OE2-CZ 3.69Å; E121-R1575 VanDerWaalsContact OE2-CZ 3.26Å; E121-R1575 IonicContact OE2-NH1 2.85Å; E121-R1575 PolarHBondContact OE2-NH1 3.16Å; E121-R1575 IonicContact OE2-NH2 3.26Å; E121-R1575 PolarHBondContact OE2-NH2 2.76Å; G1571-R1575 VanDerWaalsContact O-CG 3.29Å; G1571-R1575 WeakPolarHBondContact O-CG 3.27Å; G1571-R1575 PolarHBondContact O-N 2.84Å; G1571-R1575 PolarHBondContact O-NE 2.97Å; L1572-R1575 PolarHBondContact O-N 2.56Å; I1573-R1575 PolarHBondContact O-N 3.1Å |
| 1576 | I | 88.4 | Confident | 88.3 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.2 | -39.1 | 172.9 | -68.7 | 173.3 | 0 | 0 | 0 | 110.7 | Y119 W306 L1545 L1572 I1573 R1578 E1579 V1580 V1590 I1594 | Y119-I1576 HydrophobicContact CE1-CD1 4.28Å; W306-I1576 HydrophobicContact CZ2-CG2 4.48Å; L1545-I1576 HydrophobicContact CD1-CD1 4.05Å; L1545-I1576 HydrophobicContact CD2-CD1 3.92Å; L1572-I1576 HydrophobicContact CD1-CD1 3.91Å; L1572-I1576 HydrophobicContact CD1-CG1 4.14Å; L1572-I1576 HydrophobicContact CD2-CD1 4.34Å; L1572-I1576 HydrophobicContact CG-CD1 3.81Å; L1572-I1576 HydrophobicContact CG-CG1 4.42Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.4Å; L1572-I1576 PolarHBondContact O-N 3.18Å; I1573-I1576 PolarHBondContact O-N 3.2Å; I1573-I1576 VanDerWaalsContact O-N 3.1Å; I1576-R1578 PolarHBondContact O-N 3.08Å; I1576-E1579 PolarHBondContact O-N 2.78Å; I1576-V1580 HydrophobicContact CG2-CG1 3.49Å; I1576-V1580 VanDerWaalsContact CG2-CG1 3.49Å; I1576-V1590 HydrophobicContact CD1-CG1 3.92Å; I1576-V1590 HydrophobicContact CG2-CG1 4.3Å; I1576-I1594 HydrophobicContact CB-CD1 4.29Å; I1576-I1594 HydrophobicContact CG1-CD1 4.2Å; I1576-I1594 HydrophobicContact CG2-CD1 3.84Å |
| 1577 | G | 88.1 | Confident | 88.5 | Confident | 17 Ų | 17 | 39 Ų | 39 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -130.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | W306 I1573 E1579 | W306-G1577 PolarHBondContact NE1-O 2.8Å; I1573-G1577 PolarHBondContact O-N 2.76Å; G1577-E1579 VanDerWaalsContact C-N 3.27Å; G1577-E1579 PolarHBondContact O-N 3.46Å |
| 1578 | R | 86.9 | Confident | 88.9 | Confident | 187 Ų | 187 | 36.3 Ų | 36.3 | 71% | 0.706 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.5 | -178.6 | -62.5 | -176.6 | -179.9 | 178.7 | -0.4 | 114.1 | L310 I1576 V1580 K1591 | L310-R1578 HydrophobicContact CD1-CG 4.5Å; I1576-R1578 PolarHBondContact O-N 3.08Å; R1578-V1580 PolarHBondContact O-N 3.35Å; R1578-V1580 VanDerWaalsContact O-N 3.08Å; R1578-K1591 PolarHBondContact O-NZ 2.84Å |
| 1579 | E | 90.6 | Very high | 89.4 | Confident | 74 Ų | 74 | 36.1 Ų | 36.1 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | trans | -87.8 | 46.4 | -177.6 | -73.8 | -63.5 | 96.3 | 0 | 0 | 114 | I1576 G1577 K1591 S1593 I1594 | I1576-E1579 PolarHBondContact O-N 2.78Å; G1577-E1579 VanDerWaalsContact C-N 3.27Å; G1577-E1579 PolarHBondContact O-N 3.46Å; E1579-K1591 HydrophobicContact CB-CD 4.44Å; E1579-K1591 WeakPolarHBondContact O-CB 3.18Å; E1579-K1591 PolarHBondContact O-N 3.33Å; E1579-K1591 WeakPolarHBondContact OE1-CD 3.39Å; E1579-K1591 IonicContact OE1-NZ 3.66Å; E1579-K1591 PolarHBondContact OE1-NZ 3.29Å; E1579-K1591 WeakPolarHBondContact OE2-CD 3.34Å; E1579-S1593 VanDerWaalsContact OE2-CB 3.3Å; E1579-S1593 WeakPolarHBondContact OE2-CB 3.28Å; E1579-S1593 PolarHBondContact OE2-OG 2.97Å; E1579-I1594 HydrophobicContact CB-CD1 3.7Å; E1579-I1594 HydrophobicContact CB-CG1 4.17Å | ||
| 1580 | V | 92.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154.8 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | W306 L1545 I1576 R1578 I1582 V1588 F1589 K1591 | W306-V1580 HydrophobicContact CD2-CG2 4.31Å; W306-V1580 HydrophobicContact CG-CG2 4.32Å; W306-V1580 HydrophobicContact CH2-CG1 4.39Å; W306-V1580 HydrophobicContact CZ2-CG1 3.67Å; W306-V1580 HydrophobicContact CZ2-CG2 4.26Å; L1545-V1580 HydrophobicContact CD1-CG1 4.25Å; I1576-V1580 HydrophobicContact CG2-CG1 3.49Å; I1576-V1580 VanDerWaalsContact CG2-CG1 3.49Å; R1578-V1580 PolarHBondContact O-N 3.35Å; R1578-V1580 VanDerWaalsContact O-N 3.08Å; V1580-I1582 HydrophobicContact CG2-CG1 4.23Å; V1580-V1588 HydrophobicContact CB-CG1 3.81Å; V1580-V1588 HydrophobicContact CG1-CG1 3.78Å; V1580-V1588 HydrophobicContact CG2-CG1 4.22Å; V1580-F1589 CarbonylContact C-O 3.49Å; V1580-F1589 VanDerWaalsContact CA-O 3.24Å; V1580-F1589 WeakPolarHBondContact CA-O 3.39Å; V1580-F1589 WeakPolarHBondContact CB-O 3.48Å; V1580-K1591 VanDerWaalsContact O-CE 3.26Å; V1580-K1591 WeakPolarHBondContact O-CE 3.14Å |
| 1581 | N | 92 | Very high | 90.5 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.5 | 159.6 | -65.9 | -13.6 | 0 | 0 | 0 | 107.1 | Y1537 F1589 K1591 | Y1537-N1581 PolarHBondContact O-ND2 3.46Å; N1581-F1589 PolarHBondContact N-O 3.09Å; N1581-F1589 PolarHBondContact O-N 2.79Å; N1581-F1589 VanDerWaalsContact O-O 3.14Å; N1581-K1591 WeakPolarHBondContact OD1-CG 3.23Å |
| 1582 | I | 93.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.1 | 175.5 | -47 | 178.4 | 0 | 0 | 0 | 107.6 | Y302 L303 W306 V1580 V1587 V1588 | Y302-I1582 HydrophobicContact CD2-CG2 4.46Å; Y302-I1582 HydrophobicContact CG-CG2 4.31Å; L303-I1582 HydrophobicContact CD2-CD1 3.99Å; L303-I1582 HydrophobicContact CD2-CG1 4.34Å; L303-I1582 HydrophobicContact CG-CD1 4.17Å; W306-I1582 HydrophobicContact CB-CD1 3.83Å; W306-I1582 HydrophobicContact CG-CD1 4.25Å; V1580-I1582 HydrophobicContact CG2-CG1 4.23Å; I1582-V1587 WeakPolarHBondContact CA-O 3.37Å; I1582-V1588 HydrophobicContact CD1-CG2 4.47Å; I1582-V1588 HydrophobicContact CG1-CG1 4.3Å; I1582-V1588 HydrophobicContact CG1-CG2 4.24Å; I1582-V1588 HydrophobicContact CG2-CG2 4.22Å |
| 1583 | S | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -80.5 | 164.6 | 179.3 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | Y1539 N1585 G1586 V1587 S1664 | Y1539-S1583 WeakPolarHBondContact OH-CB 3.32Å; S1583-N1585 WeakPolarHBondContact CB-OD1 3.44Å; S1583-N1585 PolarHBondContact O-N 2.91Å; S1583-N1585 PolarHBondContact OG-OD1 2.74Å; S1583-G1586 PolarHBondContact O-N 3.1Å; S1583-V1587 PolarHBondContact N-O 2.97Å; S1583-V1587 WeakPolarHBondContact OG-CB 3.41Å; S1583-V1587 PolarHBondContact OG-N 2.86Å; S1583-V1587 PolarHBondContact OG-O 2.78Å; S1583-V1587 VanDerWaalsContact OG-O 3.11Å; S1583-S1664 WeakPolarHBondContact OG-CB 3.31Å; S1583-S1664 PolarHBondContact OG-OG 3.2Å; S1583-S1664 VanDerWaalsContact OG-OG 3.06Å | ||
| 1584 | P | 91.3 | Very high | 91.3 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.5 | -173.2 | -22 | 33.6 | 0 | 0 | 0 | 115.8 | H1667 E1671 | P1584-H1667 HydrophobicContact CB-CB 4.2Å; P1584-H1667 HydrophobicContact CG-CB 4.3Å; P1584-E1671 WeakPolarHBondContact CG-OE2 3.43Å |
| 1585 | N | 90.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 13.3 | 169.3 | 61.6 | -21.2 | 0 | 0 | 0 | 113 | S1583 V1587 S1664 | S1583-N1585 WeakPolarHBondContact CB-OD1 3.44Å; S1583-N1585 PolarHBondContact O-N 2.91Å; S1583-N1585 PolarHBondContact OG-OD1 2.74Å; N1585-V1587 PolarHBondContact O-N 3.02Å; N1585-S1664 PolarHBondContact ND2-N 2.94Å; N1585-S1664 PolarHBondContact ND2-OG 3.44Å; N1585-S1664 PolarHBondContact OD1-OG 3.09Å |
| 1586 | G | 91.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 73.2 | 21.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1548 S1583 | L1548-G1586 WeakPolarHBondContact CB-O 3.4Å; L1548-G1586 PolarHBondContact N-O 3.26Å; S1583-G1586 PolarHBondContact O-N 3.1Å |
| 1587 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.6 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | L1544 R1547 I1582 S1583 N1585 F1589 D1660 S1664 | L1544-V1587 HydrophobicContact CD1-CG1 3.16Å; R1547-V1587 HydrophobicContact CG-CG2 3.89Å; I1582-V1587 WeakPolarHBondContact CA-O 3.37Å; S1583-V1587 PolarHBondContact N-O 2.97Å; S1583-V1587 WeakPolarHBondContact OG-CB 3.41Å; S1583-V1587 PolarHBondContact OG-N 2.86Å; S1583-V1587 PolarHBondContact OG-O 2.78Å; S1583-V1587 VanDerWaalsContact OG-O 3.11Å; N1585-V1587 PolarHBondContact O-N 3.02Å; V1587-F1589 HydrophobicContact CB-CE2 4.04Å; V1587-F1589 HydrophobicContact CG1-CD2 4.34Å; V1587-F1589 HydrophobicContact CG1-CE2 3.61Å; V1587-F1589 HydrophobicContact CG1-CZ 3.81Å; V1587-D1660 HydrophobicContact CG1-CB 4.48Å; V1587-D1660 HydrophobicContact CG2-CB 4.23Å; V1587-S1664 WeakPolarHBondContact CB-OG 3.32Å |
| 1588 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.7 | -173.8 | -169.3 | 0 | 0 | 0 | 0 | 111 | W306 L1545 G1546 L1548 L1551 V1580 I1582 | W306-V1588 HydrophobicContact CE3-CG1 4.44Å; W306-V1588 HydrophobicContact CE3-CG2 4.4Å; W306-V1588 HydrophobicContact CH2-CG1 4.16Å; W306-V1588 HydrophobicContact CZ3-CG1 4.14Å; W306-V1588 HydrophobicContact CZ3-CG2 4.39Å; L1545-V1588 HydrophobicContact CB-CB 4.35Å; L1545-V1588 HydrophobicContact CD1-CG1 3.88Å; L1545-V1588 PolarHBondContact N-O 2.7Å; G1546-V1588 PolarHBondContact O-N 3.09Å; L1548-V1588 HydrophobicContact CB-CG2 4.15Å; L1548-V1588 HydrophobicContact CD1-CG2 4.11Å; L1551-V1588 HydrophobicContact CD1-CB 4.1Å; L1551-V1588 HydrophobicContact CD1-CG2 3.85Å; V1580-V1588 HydrophobicContact CB-CG1 3.81Å; V1580-V1588 HydrophobicContact CG1-CG1 3.78Å; V1580-V1588 HydrophobicContact CG2-CG1 4.22Å; I1582-V1588 HydrophobicContact CD1-CG2 4.47Å; I1582-V1588 HydrophobicContact CG1-CG1 4.3Å; I1582-V1588 HydrophobicContact CG1-CG2 4.24Å; I1582-V1588 HydrophobicContact CG2-CG2 4.22Å |
| 1589 | F | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.6 | 175.7 | -61.5 | -94.1 | 0 | 0 | 0 | 110.9 | Y1539 T1543 L1544 V1580 N1581 V1587 L1661 | Y1539-F1589 HydrophobicContact CD1-CB 4.43Å; Y1539-F1589 HydrophobicContact CD1-CD1 4.13Å; Y1539-F1589 AromaticContact CD1-CD2 3.55Å; Y1539-F1589 HydrophobicContact CD1-CD2 3.55Å; Y1539-F1589 HydrophobicContact CD1-CE1 4.25Å; Y1539-F1589 AromaticContact CD1-CE2 3.69Å; Y1539-F1589 HydrophobicContact CD1-CE2 3.69Å; Y1539-F1589 AromaticContact CD1-CG 3.78Å; Y1539-F1589 HydrophobicContact CD1-CG 3.78Å; Y1539-F1589 HydrophobicContact CD1-CZ 4.05Å; Y1539-F1589 AromaticContact CE1-CD2 3.66Å; Y1539-F1589 HydrophobicContact CE1-CD2 3.66Å; Y1539-F1589 AromaticContact CE1-CE2 3.86Å; Y1539-F1589 HydrophobicContact CE1-CE2 3.86Å; Y1539-F1589 HydrophobicContact CE1-CG 4.28Å; Y1539-F1589 HydrophobicContact CG-CE2 4.33Å; Y1539-F1589 HydrophobicContact CG-CZ 4.31Å; T1543-F1589 CarbonylContact O-C 3.56Å; T1543-F1589 WeakPolarHBondContact O-CA 3.37Å; L1544-F1589 HydrophobicContact CB-CD1 4Å; L1544-F1589 HydrophobicContact CB-CE1 3.82Å; L1544-F1589 HydrophobicContact CD1-CD1 4.35Å; L1544-F1589 HydrophobicContact CD1-CE1 3.83Å; L1544-F1589 HydrophobicContact CD1-CZ 3.97Å; L1544-F1589 HydrophobicContact CG-CE1 4.35Å; V1580-F1589 CarbonylContact C-O 3.49Å; V1580-F1589 VanDerWaalsContact CA-O 3.24Å; V1580-F1589 WeakPolarHBondContact CA-O 3.39Å; V1580-F1589 WeakPolarHBondContact CB-O 3.48Å; N1581-F1589 PolarHBondContact N-O 3.09Å; N1581-F1589 PolarHBondContact O-N 2.79Å; N1581-F1589 VanDerWaalsContact O-O 3.14Å; V1587-F1589 HydrophobicContact CB-CE2 4.04Å; V1587-F1589 HydrophobicContact CG1-CD2 4.34Å; V1587-F1589 HydrophobicContact CG1-CE2 3.61Å; V1587-F1589 HydrophobicContact CG1-CZ 3.81Å; F1589-L1661 HydrophobicContact CE1-CD1 3.92Å; F1589-L1661 HydrophobicContact CZ-CD1 4.19Å |
| 1590 | V | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 144.6 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | Y119 N1538 T1543 L1545 I1576 I1594 R1595 | Y119-V1590 HydrophobicContact CD2-CG1 4.09Å; Y119-V1590 HydrophobicContact CD2-CG2 3.75Å; Y119-V1590 HydrophobicContact CE2-CG1 4.2Å; Y119-V1590 HydrophobicContact CE2-CG2 3.84Å; Y119-V1590 HydrophobicContact CG-CG1 4.36Å; N1538-V1590 PolarHBondContact ND2-O 3.42Å; T1543-V1590 HydrophobicContact CG2-CG2 3.98Å; T1543-V1590 PolarHBondContact O-N 2.73Å; L1545-V1590 HydrophobicContact CD1-CG1 3.87Å; L1545-V1590 HydrophobicContact CG-CG1 4.21Å; I1576-V1590 HydrophobicContact CD1-CG1 3.92Å; I1576-V1590 HydrophobicContact CG2-CG1 4.3Å; V1590-I1594 HydrophobicContact CB-CB 4.3Å; V1590-I1594 HydrophobicContact CB-CD1 4.33Å; V1590-I1594 HydrophobicContact CB-CG2 4.39Å; V1590-I1594 HydrophobicContact CG1-CD1 4.45Å; V1590-I1594 HydrophobicContact CG2-CG2 4.42Å; V1590-R1595 HydrophobicContact CG2-CB 4.17Å |
| 1591 | K | 93.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | trans | -67.6 | 158.6 | 173.4 | -76.4 | 175.7 | -173.6 | 149.7 | 0 | 112.1 | R1578 E1579 V1580 N1581 S1593 I1594 R1595 | R1578-K1591 PolarHBondContact O-NZ 2.84Å; E1579-K1591 HydrophobicContact CB-CD 4.44Å; E1579-K1591 WeakPolarHBondContact O-CB 3.18Å; E1579-K1591 PolarHBondContact O-N 3.33Å; E1579-K1591 WeakPolarHBondContact OE1-CD 3.39Å; E1579-K1591 IonicContact OE1-NZ 3.66Å; E1579-K1591 PolarHBondContact OE1-NZ 3.29Å; E1579-K1591 WeakPolarHBondContact OE2-CD 3.34Å; V1580-K1591 VanDerWaalsContact O-CE 3.26Å; V1580-K1591 WeakPolarHBondContact O-CE 3.14Å; N1581-K1591 WeakPolarHBondContact OD1-CG 3.23Å; K1591-S1593 VanDerWaalsContact CB-OG 3.25Å; K1591-S1593 WeakPolarHBondContact CB-OG 3.43Å; K1591-S1593 PolarHBondContact O-N 3.27Å; K1591-S1593 VanDerWaalsContact O-N 3.16Å; K1591-I1594 PolarHBondContact O-N 2.96Å; K1591-R1595 PolarHBondContact O-N 3.23Å | ||
| 1592 | K | 90.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 25.5 Ų | 25.5 | 47% | 0.47 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.1 | 177.7 | 173 | 166.8 | 168.9 | 164.6 | 0 | 113.6 | N1538 I1594 E1596 | N1538-K1592 PolarHBondContact ND2-N 3.05Å; K1592-I1594 VanDerWaalsContact C-N 3.31Å; K1592-I1594 PolarHBondContact O-N 3.06Å; K1592-E1596 HydrophobicContact CD-CB 4.49Å; K1592-E1596 HydrophobicContact CD-CG 4.27Å; K1592-E1596 VanDerWaalsContact CE-OE1 3.22Å; K1592-E1596 WeakPolarHBondContact CE-OE1 3.29Å; K1592-E1596 HydrophobicContact CG-CB 4.16Å; K1592-E1596 HydrophobicContact CG-CG 4.45Å; K1592-E1596 IonicContact NZ-OE1 3Å; K1592-E1596 PolarHBondContact NZ-OE1 3.32Å |
| 1593 | S | 90 | Very high | 92.7 | Very high | 81 Ų | 81 | 25.3 Ų | 25.3 | 57% | 0.566 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -40 | 170.6 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | E1579 K1591 | E1579-S1593 VanDerWaalsContact OE2-CB 3.3Å; E1579-S1593 WeakPolarHBondContact OE2-CB 3.28Å; E1579-S1593 PolarHBondContact OE2-OG 2.97Å; K1591-S1593 VanDerWaalsContact CB-OG 3.25Å; K1591-S1593 WeakPolarHBondContact CB-OG 3.43Å; K1591-S1593 PolarHBondContact O-N 3.27Å; K1591-S1593 VanDerWaalsContact O-N 3.16Å |
| 1594 | I | 92.3 | Very high | 92.5 | Very high | 63 Ų | 63 | 26.7 Ų | 26.7 | 32% | 0.323 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -49.3 | 175.5 | -63.6 | 177.2 | 0 | 0 | 0 | 110.4 | Y119 I1576 E1579 V1590 K1591 K1592 | Y119-I1594 HydrophobicContact CE2-CG2 4.14Å; Y119-I1594 WeakPolarHBondContact OH-CG2 3.4Å; I1576-I1594 HydrophobicContact CB-CD1 4.29Å; I1576-I1594 HydrophobicContact CG1-CD1 4.2Å; I1576-I1594 HydrophobicContact CG2-CD1 3.84Å; E1579-I1594 HydrophobicContact CB-CD1 3.7Å; E1579-I1594 HydrophobicContact CB-CG1 4.17Å; V1590-I1594 HydrophobicContact CB-CB 4.3Å; V1590-I1594 HydrophobicContact CB-CD1 4.33Å; V1590-I1594 HydrophobicContact CB-CG2 4.39Å; V1590-I1594 HydrophobicContact CG1-CD1 4.45Å; V1590-I1594 HydrophobicContact CG2-CG2 4.42Å; K1591-I1594 PolarHBondContact O-N 2.96Å; K1592-I1594 VanDerWaalsContact C-N 3.31Å; K1592-I1594 PolarHBondContact O-N 3.06Å |
| 1595 | R | 92 | Very high | 92.3 | Very high | 37 Ų | 37 | 26.5 Ų | 26.5 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | trans | -158.2 | 119.6 | -176.1 | -177.1 | 175.8 | -68.2 | 178.8 | -1.3 | 111.7 | Y119 H120 N1538 S1542 T1543 V1590 K1591 | Y119-R1595 HydrophobicContact CE2-CB 4.19Å; H120-R1595 VanDerWaalsContact O-CZ 3.28Å; H120-R1595 PolarHBondContact O-NH1 3.49Å; H120-R1595 PolarHBondContact O-NH2 3.36Å; N1538-R1595 PolarHBondContact ND2-O 2.84Å; S1542-R1595 WeakPolarHBondContact O-CD 3.4Å; T1543-R1595 HydrophobicContact CG2-CG 4.34Å; T1543-R1595 WeakPolarHBondContact CG2-O 3.32Å; V1590-R1595 HydrophobicContact CG2-CB 4.17Å; K1591-R1595 PolarHBondContact O-N 3.23Å | ||
| 1596 | E | 92.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 25.6 Ų | 25.6 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | trans | -69.2 | 129.2 | 165.7 | -173.1 | 172.7 | -122.5 | 0 | 0 | 110.3 | K1592 R1601 | K1592-E1596 HydrophobicContact CD-CB 4.49Å; K1592-E1596 HydrophobicContact CD-CG 4.27Å; K1592-E1596 VanDerWaalsContact CE-OE1 3.22Å; K1592-E1596 WeakPolarHBondContact CE-OE1 3.29Å; K1592-E1596 HydrophobicContact CG-CB 4.16Å; K1592-E1596 HydrophobicContact CG-CG 4.45Å; K1592-E1596 IonicContact NZ-OE1 3Å; K1592-E1596 PolarHBondContact NZ-OE1 3.32Å; E1596-R1601 HydrophobicContact CG-CB 4.27Å | ||
| 1597 | G | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | -71.5 | 148 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1538 L1599 P1600 R1601 | N1538-G1597 PolarHBondContact OD1-N 2.9Å; G1597-L1599 PolarHBondContact O-N 3.46Å; G1597-P1600 WeakPolarHBondContact O-CD 3.36Å; G1597-R1601 WeakPolarHBondContact O-CB 3.09Å; G1597-R1601 PolarHBondContact O-N 2.8Å | ||
| 1598 | I | 93.2 | Very high | 92 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.036 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.5 | -54.2 | 177.1 | 0 | 0 | 0 | 111.6 | I116 L1477 I1480 A1481 F1486 C1540 M1602 | I116-I1598 HydrophobicContact CD1-CD1 3.75Å; I116-I1598 HydrophobicContact CG1-CD1 3.79Å; L1477-I1598 HydrophobicContact CD1-CG2 3.81Å; I1480-I1598 HydrophobicContact CB-CG2 4.32Å; I1480-I1598 HydrophobicContact CG2-CG2 3.94Å; A1481-I1598 HydrophobicContact CB-CD1 4.25Å; F1486-I1598 HydrophobicContact CB-CD1 3.87Å; F1486-I1598 HydrophobicContact CD1-CD1 4.25Å; F1486-I1598 HydrophobicContact CD2-CD1 3.45Å; F1486-I1598 VanDerWaalsContact CD2-CD1 3.45Å; F1486-I1598 HydrophobicContact CD2-CG1 4.29Å; F1486-I1598 HydrophobicContact CE2-CD1 3.96Å; F1486-I1598 HydrophobicContact CE2-CG1 4.4Å; F1486-I1598 HydrophobicContact CG-CD1 3.6Å; C1540-I1598 PolarHBondContact SG-N 3.16Å; I1598-M1602 VanDerWaalsContact O-CB 3.29Å; I1598-M1602 WeakPolarHBondContact O-CB 3.45Å; I1598-M1602 PolarHBondContact O-N 3.22Å |
| 1599 | L | 94.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -51.9 | 174.7 | -60.5 | -175.5 | 0 | 0 | 0 | 112.3 | L1477 I1534 C1540 Y1541 G1597 R1601 M1602 L1603 I1644 T1648 L1661 | L1477-L1599 HydrophobicContact CD1-CD2 3.97Å; I1534-L1599 HydrophobicContact CG2-CB 4.01Å; C1540-L1599 HydrophobicContact CB-CB 4.44Å; C1540-L1599 PolarHBondContact SG-N 3.43Å; C1540-L1599 VanDerWaalsContact SG-N 3.41Å; Y1541-L1599 HydrophobicContact CD2-CD1 3.98Å; Y1541-L1599 HydrophobicContact CD2-CG 4.3Å; Y1541-L1599 HydrophobicContact CE2-CD1 3.86Å; Y1541-L1599 HydrophobicContact CE2-CD2 4.44Å; Y1541-L1599 HydrophobicContact CE2-CG 4.4Å; G1597-L1599 PolarHBondContact O-N 3.46Å; L1599-R1601 VanDerWaalsContact C-N 3.3Å; L1599-R1601 PolarHBondContact O-N 2.93Å; L1599-M1602 HydrophobicContact CD2-CE 3.57Å; L1599-M1602 PolarHBondContact O-N 3.35Å; L1599-L1603 WeakPolarHBondContact O-CB 3.39Å; L1599-L1603 WeakPolarHBondContact O-CG 3.44Å; L1599-L1603 PolarHBondContact O-N 2.72Å; L1599-I1644 HydrophobicContact CD2-CG2 4.11Å; L1599-T1648 HydrophobicContact CD1-CG2 3.8Å; L1599-L1661 HydrophobicContact CD1-CD2 4.03Å |
| 1600 | P | 93.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -47 | -49.4 | 169.8 | -28.7 | 28.7 | 0 | 0 | 0 | 113.5 | I1534 G1597 L1603 K1604 | I1534-P1600 HydrophobicContact CG2-CG 4.11Å; I1534-P1600 WeakPolarHBondContact O-CG 3.39Å; G1597-P1600 WeakPolarHBondContact O-CD 3.36Å; P1600-L1603 PolarHBondContact O-N 3.28Å; P1600-K1604 PolarHBondContact O-N 2.94Å |
| 1601 | R | 90.1 | Very high | 91.3 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | -177.9 | -177 | 171.7 | 160.3 | -149.8 | -12.3 | 113 | L247 S248 S1484 E1596 G1597 L1599 Q1605 | L247-R1601 PolarHBondContact O-NH2 3.36Å; S248-R1601 PolarHBondContact O-NE 3.11Å; S248-R1601 PolarHBondContact O-NH2 2.62Å; S1484-R1601 PolarHBondContact OG-NH1 3.43Å; E1596-R1601 HydrophobicContact CG-CB 4.27Å; G1597-R1601 WeakPolarHBondContact O-CB 3.09Å; G1597-R1601 PolarHBondContact O-N 2.8Å; L1599-R1601 VanDerWaalsContact C-N 3.3Å; L1599-R1601 PolarHBondContact O-N 2.93Å; R1601-Q1605 WeakPolarHBondContact O-CG 3.3Å; R1601-Q1605 PolarHBondContact O-N 3.29Å |
| 1602 | M | 90.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 173.7 | 178.5 | 166.4 | 57.1 | 0 | 0 | 111.6 | L1476 L1477 I1480 I1598 L1599 Q1605 L1606 I1644 | L1476-M1602 HydrophobicContact CB-SD 3.62Å; L1476-M1602 HydrophobicContact CD1-SD 4.44Å; L1477-M1602 HydrophobicContact CD1-CE 4.09Å; I1480-M1602 HydrophobicContact CD1-CB 3.63Å; I1480-M1602 HydrophobicContact CD1-CG 3.68Å; I1480-M1602 HydrophobicContact CD1-SD 4.12Å; I1598-M1602 VanDerWaalsContact O-CB 3.29Å; I1598-M1602 WeakPolarHBondContact O-CB 3.45Å; I1598-M1602 PolarHBondContact O-N 3.22Å; L1599-M1602 HydrophobicContact CD2-CE 3.57Å; L1599-M1602 PolarHBondContact O-N 3.35Å; M1602-Q1605 PolarHBondContact O-N 3.45Å; M1602-L1606 HydrophobicContact CG-CD1 4.03Å; M1602-L1606 WeakPolarHBondContact O-CG 3.17Å; M1602-L1606 PolarHBondContact O-N 2.85Å; M1602-L1606 VanDerWaalsContact O-N 3.08Å; M1602-I1644 HydrophobicContact CE-CD1 3.8Å; M1602-I1644 HydrophobicContact CE-CG1 4.01Å; M1602-I1644 HydrophobicContact CE-CG2 4.18Å; M1602-I1644 HydrophobicContact CG-CD1 4.26Å; M1602-I1644 HydrophobicContact SD-CD1 4.21Å |
| 1603 | L | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | -178.5 | -73.5 | 166.6 | 0 | 0 | 0 | 112.3 | P1531 I1534 I1535 L1599 P1600 Q1605 L1606 I1607 A1641 I1644 | P1531-L1603 HydrophobicContact CB-CD1 4.47Å; P1531-L1603 HydrophobicContact CB-CD2 4.16Å; P1531-L1603 HydrophobicContact CG-CD2 4.5Å; I1534-L1603 HydrophobicContact CB-CD1 3.83Å; I1534-L1603 HydrophobicContact CD1-CD1 3.71Å; I1534-L1603 HydrophobicContact CG1-CD1 4.39Å; I1534-L1603 HydrophobicContact CG2-CD1 3.54Å; I1535-L1603 HydrophobicContact CD1-CB 3.89Å; I1535-L1603 HydrophobicContact CG1-CB 3.95Å; L1599-L1603 WeakPolarHBondContact O-CB 3.39Å; L1599-L1603 WeakPolarHBondContact O-CG 3.44Å; L1599-L1603 PolarHBondContact O-N 2.72Å; P1600-L1603 PolarHBondContact O-N 3.28Å; L1603-Q1605 VanDerWaalsContact C-N 3.34Å; L1603-Q1605 PolarHBondContact O-N 3.42Å; L1603-L1606 PolarHBondContact O-N 3.39Å; L1603-I1607 WeakPolarHBondContact O-CG1 3.36Å; L1603-I1607 PolarHBondContact O-N 3.22Å; L1603-A1641 HydrophobicContact CD2-CB 4.47Å; L1603-I1644 HydrophobicContact CD1-CG2 4.09Å; L1603-I1644 HydrophobicContact CD2-CB 4.11Å; L1603-I1644 HydrophobicContact CD2-CD1 3.52Å; L1603-I1644 HydrophobicContact CD2-CG1 4.41Å; L1603-I1644 HydrophobicContact CD2-CG2 4.13Å; L1603-I1644 HydrophobicContact CG-CD1 4.2Å; L1603-I1644 HydrophobicContact CG-CG2 4.22Å |
| 1604 | K | 89.2 | Confident | 91.3 | Very high | 29 Ų | 29 | 20.3 Ų | 20.3 | 13% | 0.126 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.9 | -51.5 | 172.5 | -174.2 | 176.6 | 179.9 | 179.5 | 0 | 110.1 | D282 L285 I1535 P1600 L1606 I1607 T1608 | D282-K1604 IonicContact OD1-NZ 2.66Å; D282-K1604 PolarHBondContact OD1-NZ 2.95Å; L285-K1604 HydrophobicContact CD1-CG 4.26Å; I1535-K1604 HydrophobicContact CD1-CB 4.45Å; P1600-K1604 PolarHBondContact O-N 2.94Å; K1604-L1606 PolarHBondContact O-N 3.18Å; K1604-I1607 PolarHBondContact O-N 3.48Å; K1604-T1608 WeakPolarHBondContact O-CB 3.24Å; K1604-T1608 PolarHBondContact O-N 2.96Å; K1604-T1608 PolarHBondContact O-OG1 3.09Å |
| 1605 | Q | 88.1 | Confident | 91.2 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 178.9 | -68.2 | 173.3 | 33.4 | 0 | 0 | 112.9 | S248 L253 R1601 M1602 L1603 T1609 | S248-Q1605 PolarHBondContact O-NE2 2.85Å; L253-Q1605 HydrophobicContact CD1-CB 3.77Å; R1601-Q1605 WeakPolarHBondContact O-CG 3.3Å; R1601-Q1605 PolarHBondContact O-N 3.29Å; M1602-Q1605 PolarHBondContact O-N 3.45Å; L1603-Q1605 VanDerWaalsContact C-N 3.34Å; L1603-Q1605 PolarHBondContact O-N 3.42Å; Q1605-T1609 VanDerWaalsContact O-CB 3.26Å; Q1605-T1609 WeakPolarHBondContact O-CB 3.41Å; Q1605-T1609 PolarHBondContact O-N 3.14Å; Q1605-T1609 PolarHBondContact O-OG1 2.78Å |
| 1606 | L | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 178.9 | -72.6 | 168.4 | 0 | 0 | 0 | 111.8 | L253 L1476 M1602 L1603 K1604 R1610 L1637 M1640 I1644 | L253-L1606 HydrophobicContact CD1-CD2 4.11Å; L253-L1606 HydrophobicContact CD1-CG 4.47Å; L253-L1606 HydrophobicContact CD2-CD2 4.28Å; L1476-L1606 HydrophobicContact CD1-CD1 4.19Å; L1476-L1606 HydrophobicContact CD1-CD2 4.21Å; M1602-L1606 HydrophobicContact CG-CD1 4.03Å; M1602-L1606 WeakPolarHBondContact O-CG 3.17Å; M1602-L1606 PolarHBondContact O-N 2.85Å; M1602-L1606 VanDerWaalsContact O-N 3.08Å; L1603-L1606 PolarHBondContact O-N 3.39Å; K1604-L1606 PolarHBondContact O-N 3.18Å; L1606-R1610 VanDerWaalsContact O-CB 3.29Å; L1606-R1610 WeakPolarHBondContact O-CB 3.36Å; L1606-R1610 PolarHBondContact O-N 3.1Å; L1606-L1637 HydrophobicContact CD2-CD2 3.61Å; L1606-M1640 HydrophobicContact CD1-CB 4.22Å; L1606-M1640 HydrophobicContact CD2-CB 4.38Å; L1606-I1644 HydrophobicContact CD1-CD1 3.46Å; L1606-I1644 VanDerWaalsContact CD1-CD1 3.46Å |
| 1607 | I | 89.6 | Confident | 91 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.4 | -43.6 | -178.3 | -59.4 | 172.1 | 0 | 0 | 0 | 111.2 | L285 P1531 I1535 L1603 K1604 T1609 R1610 L1611 | L285-I1607 HydrophobicContact CD1-CB 3.89Å; L285-I1607 HydrophobicContact CD1-CG2 3.77Å; P1531-I1607 HydrophobicContact CB-CD1 3.89Å; I1535-I1607 HydrophobicContact CD1-CD1 3.83Å; L1603-I1607 WeakPolarHBondContact O-CG1 3.36Å; L1603-I1607 PolarHBondContact O-N 3.22Å; K1604-I1607 PolarHBondContact O-N 3.48Å; I1607-T1609 VanDerWaalsContact C-N 3.32Å; I1607-T1609 PolarHBondContact O-N 3.12Å; I1607-R1610 WeakPolarHBondContact O-CB 3.44Å; I1607-R1610 PolarHBondContact O-N 2.82Å; I1607-R1610 VanDerWaalsContact O-N 3.16Å; I1607-L1611 HydrophobicContact CG2-CD1 4.18Å; I1607-L1611 HydrophobicContact CG2-CG 4.45Å; I1607-L1611 WeakPolarHBondContact O-CG 3.37Å; I1607-L1611 PolarHBondContact O-N 2.73Å |
| 1608 | T | 89.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 175.5 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | W257 S281 L284 L285 K1604 R1610 L1611 M1612 | W257-T1608 HydrophobicContact CH2-CG2 3.88Å; W257-T1608 HydrophobicContact CZ2-CG2 3.54Å; S281-T1608 WeakPolarHBondContact OG-CG2 3.4Å; S281-T1608 PolarHBondContact OG-OG1 2.88Å; L284-T1608 HydrophobicContact CB-CG2 4.02Å; L284-T1608 HydrophobicContact CD1-CG2 4.09Å; L285-T1608 WeakPolarHBondContact CD1-OG1 3.23Å; K1604-T1608 WeakPolarHBondContact O-CB 3.24Å; K1604-T1608 PolarHBondContact O-N 2.96Å; K1604-T1608 PolarHBondContact O-OG1 3.09Å; T1608-R1610 VanDerWaalsContact C-N 3.31Å; T1608-R1610 PolarHBondContact O-N 3.09Å; T1608-L1611 PolarHBondContact O-N 2.86Å; T1608-M1612 PolarHBondContact O-N 2.71Å |
| 1609 | T | 90.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 178.3 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | L253 M256 W257 Q1605 I1607 M1612 V1613 L1637 | L253-T1609 HydrophobicContact CD2-CG2 4.4Å; M256-T1609 HydrophobicContact CE-CG2 3.98Å; W257-T1609 PolarHBondContact NE1-OG1 2.67Å; Q1605-T1609 VanDerWaalsContact O-CB 3.26Å; Q1605-T1609 WeakPolarHBondContact O-CB 3.41Å; Q1605-T1609 PolarHBondContact O-N 3.14Å; Q1605-T1609 PolarHBondContact O-OG1 2.78Å; I1607-T1609 VanDerWaalsContact C-N 3.32Å; I1607-T1609 PolarHBondContact O-N 3.12Å; T1609-M1612 HydrophobicContact CG2-CE 3.89Å; T1609-M1612 PolarHBondContact O-N 3.47Å; T1609-V1613 WeakPolarHBondContact O-CG2 3.42Å; T1609-V1613 PolarHBondContact O-N 2.79Å; T1609-L1637 HydrophobicContact CG2-CD1 3.93Å |
| 1610 | R | 91.8 | Very high | 89.9 | Confident | 19 Ų | 19 | 24.8 Ų | 24.8 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 175.4 | -172.4 | -172.7 | 171.3 | -145.7 | -1.1 | 111.8 | L1606 I1607 T1608 V1613 K1614 L1637 | L1606-R1610 VanDerWaalsContact O-CB 3.29Å; L1606-R1610 WeakPolarHBondContact O-CB 3.36Å; L1606-R1610 PolarHBondContact O-N 3.1Å; I1607-R1610 WeakPolarHBondContact O-CB 3.44Å; I1607-R1610 PolarHBondContact O-N 2.82Å; I1607-R1610 VanDerWaalsContact O-N 3.16Å; T1608-R1610 VanDerWaalsContact C-N 3.31Å; T1608-R1610 PolarHBondContact O-N 3.09Å; R1610-V1613 PolarHBondContact O-N 3.25Å; R1610-K1614 PolarHBondContact O-N 2.84Å; R1610-L1637 HydrophobicContact CB-CB 3.93Å; R1610-L1637 HydrophobicContact CB-CD1 4.24Å; R1610-L1637 HydrophobicContact CG-CB 4.08Å |
| 1611 | L | 89.3 | Confident | 89.3 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 178.1 | -69.4 | 169.7 | 0 | 0 | 0 | 111.3 | L284 L285 I1607 T1608 V1613 K1614 D1615 | L284-L1611 HydrophobicContact CB-CB 4.38Å; L284-L1611 HydrophobicContact CB-CD1 4.2Å; L284-L1611 HydrophobicContact CD1-CB 4.01Å; L284-L1611 HydrophobicContact CD2-CB 4.37Å; L284-L1611 WeakPolarHBondContact O-CD1 3.36Å; L285-L1611 HydrophobicContact CG-CD1 4.17Å; I1607-L1611 HydrophobicContact CG2-CD1 4.18Å; I1607-L1611 HydrophobicContact CG2-CG 4.45Å; I1607-L1611 WeakPolarHBondContact O-CG 3.37Å; I1607-L1611 PolarHBondContact O-N 2.73Å; T1608-L1611 PolarHBondContact O-N 2.86Å; L1611-V1613 VanDerWaalsContact C-N 3.27Å; L1611-V1613 PolarHBondContact O-N 3.23Å; L1611-K1614 PolarHBondContact O-N 2.92Å; L1611-K1614 VanDerWaalsContact O-N 3.07Å; L1611-D1615 PolarHBondContact O-N 3.48Å |
| 1612 | M | 91.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.3 | -41.1 | 174 | 174.9 | -81.7 | -69.3 | 0 | 0 | 112.2 | W257 E260 L284 T1608 T1609 D1615 S1616 | W257-M1612 HydrophobicContact CD2-CE 3.84Å; W257-M1612 HydrophobicContact CD2-CG 4.29Å; W257-M1612 HydrophobicContact CE3-CE 4.39Å; W257-M1612 HydrophobicContact CE3-CG 4Å; W257-M1612 HydrophobicContact CG-CE 3.89Å; W257-M1612 HydrophobicContact CH2-CB 3.74Å; W257-M1612 HydrophobicContact CH2-CG 3.96Å; W257-M1612 HydrophobicContact CZ2-CB 3.79Å; W257-M1612 HydrophobicContact CZ2-CG 4.2Å; W257-M1612 HydrophobicContact CZ3-CB 4.16Å; W257-M1612 HydrophobicContact CZ3-CG 3.84Å; E260-M1612 HydrophobicContact CB-SD 3.92Å; E260-M1612 HydrophobicContact CG-SD 3.86Å; L284-M1612 HydrophobicContact CD1-CB 3.88Å; T1608-M1612 PolarHBondContact O-N 2.71Å; T1609-M1612 HydrophobicContact CG2-CE 3.89Å; T1609-M1612 PolarHBondContact O-N 3.47Å; M1612-D1615 PolarHBondContact O-N 3.43Å; M1612-S1616 WeakPolarHBondContact O-CB 3.43Å; M1612-S1616 PolarHBondContact O-N 3.27Å; M1612-S1616 PolarHBondContact O-OG 2.95Å |
| 1613 | V | 91.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.4 | -42.9 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | T1609 R1610 L1611 D1615 S1616 I1617 L1630 R1633 Q1634 L1637 | T1609-V1613 WeakPolarHBondContact O-CG2 3.42Å; T1609-V1613 PolarHBondContact O-N 2.79Å; R1610-V1613 PolarHBondContact O-N 3.25Å; L1611-V1613 VanDerWaalsContact C-N 3.27Å; L1611-V1613 PolarHBondContact O-N 3.23Å; V1613-D1615 VanDerWaalsContact C-N 3.3Å; V1613-D1615 PolarHBondContact O-N 2.76Å; V1613-S1616 WeakPolarHBondContact O-CB 3.49Å; V1613-S1616 PolarHBondContact O-N 2.79Å; V1613-S1616 VanDerWaalsContact O-N 3.16Å; V1613-I1617 HydrophobicContact CG1-CD1 4.34Å; V1613-I1617 WeakPolarHBondContact O-CG1 3.37Å; V1613-I1617 PolarHBondContact O-N 3.22Å; V1613-L1630 HydrophobicContact CG1-CB 4.24Å; V1613-L1630 HydrophobicContact CG1-CD2 4.3Å; V1613-L1630 WeakPolarHBondContact CG1-O 3.27Å; V1613-R1633 HydrophobicContact CG1-CB 3.98Å; V1613-R1633 HydrophobicContact CG2-CB 4.33Å; V1613-Q1634 HydrophobicContact CG1-CB 3.95Å; V1613-L1637 HydrophobicContact CG2-CD1 4.33Å |
| 1614 | K | 91.3 | Very high | 87.9 | Confident | 74 Ų | 74 | 43.5 Ų | 43.5 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 175 | -72.4 | -160.4 | 77.9 | 167.8 | 0 | 112.1 | R1610 L1611 I1617 K1618 Q1634 | R1610-K1614 PolarHBondContact O-N 2.84Å; L1611-K1614 PolarHBondContact O-N 2.92Å; L1611-K1614 VanDerWaalsContact O-N 3.07Å; K1614-I1617 WeakPolarHBondContact O-CB 3.33Å; K1614-I1617 PolarHBondContact O-N 3.06Å; K1614-K1618 WeakPolarHBondContact O-CG 3.47Å; K1614-K1618 PolarHBondContact O-N 3.35Å; K1614-Q1634 HydrophobicContact CG-CG 4.44Å; K1614-Q1634 VanDerWaalsContact CG-OE1 3.31Å |
| 1615 | D | 89.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.5 | -34.1 | 177.2 | -67.2 | -30.5 | 0 | 0 | 0 | 112.1 | L1611 M1612 V1613 I1617 K1618 L1619 | L1611-D1615 PolarHBondContact O-N 3.48Å; M1612-D1615 PolarHBondContact O-N 3.43Å; V1613-D1615 VanDerWaalsContact C-N 3.3Å; V1613-D1615 PolarHBondContact O-N 2.76Å; D1615-I1617 VanDerWaalsContact C-N 3.35Å; D1615-K1618 WeakPolarHBondContact O-CB 3.21Å; D1615-K1618 PolarHBondContact O-N 3.25Å; D1615-K1618 WeakPolarHBondContact OD1-CE 3.13Å; D1615-K1618 IonicContact OD1-NZ 3.4Å; D1615-K1618 PolarHBondContact OD1-NZ 2.83Å; D1615-L1619 WeakPolarHBondContact O-CG 3.34Å; D1615-L1619 PolarHBondContact O-N 3.14Å; D1615-L1619 VanDerWaalsContact O-N 3.13Å |
| 1616 | S | 89.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 172.2 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | E260 M1612 V1613 K1618 L1619 Y1620 | E260-S1616 VanDerWaalsContact CD-OG 3.26Å; E260-S1616 PolarHBondContact OE1-OG 3.39Å; M1612-S1616 WeakPolarHBondContact O-CB 3.43Å; M1612-S1616 PolarHBondContact O-N 3.27Å; M1612-S1616 PolarHBondContact O-OG 2.95Å; V1613-S1616 WeakPolarHBondContact O-CB 3.49Å; V1613-S1616 PolarHBondContact O-N 2.79Å; V1613-S1616 VanDerWaalsContact O-N 3.16Å; S1616-K1618 VanDerWaalsContact C-N 3.32Å; S1616-K1618 PolarHBondContact O-N 2.89Å; S1616-L1619 PolarHBondContact O-N 3.16Å; S1616-Y1620 WeakPolarHBondContact O-CD2 3.18Å; S1616-Y1620 PolarHBondContact O-N 3.32Å; S1616-Y1620 VanDerWaalsContact O-N 3.11Å |
| 1617 | I | 89.9 | Confident | 86.6 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 172.4 | -69.3 | 168.2 | 0 | 0 | 0 | 111.1 | V1613 K1614 D1615 L1619 Y1620 K1621 L1630 Q1634 | V1613-I1617 HydrophobicContact CG1-CD1 4.34Å; V1613-I1617 WeakPolarHBondContact O-CG1 3.37Å; V1613-I1617 PolarHBondContact O-N 3.22Å; K1614-I1617 WeakPolarHBondContact O-CB 3.33Å; K1614-I1617 PolarHBondContact O-N 3.06Å; D1615-I1617 VanDerWaalsContact C-N 3.35Å; I1617-L1619 PolarHBondContact O-N 2.58Å; I1617-Y1620 PolarHBondContact O-N 3.17Å; I1617-K1621 WeakPolarHBondContact O-CG 3.49Å; I1617-K1621 PolarHBondContact O-N 3.24Å; I1617-L1630 HydrophobicContact CD1-CB 4.17Å; I1617-L1630 HydrophobicContact CG1-CB 3.51Å; I1617-L1630 HydrophobicContact CG1-CD1 4.32Å; I1617-Q1634 HydrophobicContact CD1-CB 3.93Å; I1617-Q1634 HydrophobicContact CD1-CG 4.29Å |
| 1618 | K | 88.6 | Confident | 86.2 | Confident | 131 Ų | 131 | 51 Ų | 51 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.2 | -43.5 | 176.2 | -60 | 168.7 | -168.5 | 167.4 | 0 | 111.7 | K1614 D1615 S1616 Y1620 | K1614-K1618 WeakPolarHBondContact O-CG 3.47Å; K1614-K1618 PolarHBondContact O-N 3.35Å; D1615-K1618 WeakPolarHBondContact O-CB 3.21Å; D1615-K1618 PolarHBondContact O-N 3.25Å; D1615-K1618 WeakPolarHBondContact OD1-CE 3.13Å; D1615-K1618 IonicContact OD1-NZ 3.4Å; D1615-K1618 PolarHBondContact OD1-NZ 2.83Å; S1616-K1618 VanDerWaalsContact C-N 3.32Å; S1616-K1618 PolarHBondContact O-N 2.89Å; K1618-Y1620 VanDerWaalsContact C-N 3.33Å; K1618-Y1620 PolarHBondContact O-N 3.07Å |
| 1619 | L | 85.9 | Confident | 86 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.293 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.1 | -19.9 | -177.5 | -68.7 | 171.5 | 0 | 0 | 0 | 114.6 | L275 P276 D1615 S1616 I1617 | L275-L1619 HydrophobicContact CD2-CD2 4.4Å; P276-L1619 HydrophobicContact CG-CD1 4.4Å; P276-L1619 HydrophobicContact CG-CD2 4.16Å; D1615-L1619 WeakPolarHBondContact O-CG 3.34Å; D1615-L1619 PolarHBondContact O-N 3.14Å; D1615-L1619 VanDerWaalsContact O-N 3.13Å; S1616-L1619 PolarHBondContact O-N 3.16Å; I1617-L1619 PolarHBondContact O-N 2.58Å |
| 1620 | Y | 84.2 | Confident | 85.9 | Confident | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 21.2 | -172.8 | -61.2 | -61.4 | 0 | 0 | 0 | 114.5 | R263 K267 S1616 I1617 K1618 T1622 N1623 L1626 L1630 | R263-Y1620 VanDerWaalsContact CD-CE2 3.48Å; R263-Y1620 HydrophobicContact CG-CE2 4.3Å; R263-Y1620 WeakPolarHBondContact CG-OH 3.34Å; K267-Y1620 HydrophobicContact CD-CE1 4.2Å; S1616-Y1620 WeakPolarHBondContact O-CD2 3.18Å; S1616-Y1620 PolarHBondContact O-N 3.32Å; S1616-Y1620 VanDerWaalsContact O-N 3.11Å; I1617-Y1620 PolarHBondContact O-N 3.17Å; K1618-Y1620 VanDerWaalsContact C-N 3.33Å; K1618-Y1620 PolarHBondContact O-N 3.07Å; Y1620-T1622 PolarHBondContact O-N 2.81Å; Y1620-N1623 PolarHBondContact O-N 2.94Å; Y1620-L1626 HydrophobicContact CD1-CD2 4.04Å; Y1620-L1626 HydrophobicContact CD2-CD2 3.85Å; Y1620-L1626 HydrophobicContact CE2-CD2 4.47Å; Y1620-L1626 HydrophobicContact CG-CD2 3.64Å; Y1620-L1630 HydrophobicContact CD2-CD1 4.15Å |
| 1621 | K | 80.2 | Confident | 85.8 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | -41.5 | -176.4 | -78.7 | -175.6 | 175.6 | -176.2 | 0 | 114.8 | C482 I1617 N1627 | C482-K1621 VanDerWaalsContact SG-CD 3.52Å; C482-K1621 PolarHBondContact SG-NZ 3.21Å; I1617-K1621 WeakPolarHBondContact O-CG 3.49Å; I1617-K1621 PolarHBondContact O-N 3.24Å; K1621-N1627 PolarHBondContact O-ND2 3.37Å |
| 1622 | T | 81.5 | Confident | 85.8 | Confident | 115 Ų | 115 | 53.5 Ų | 53.5 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | Y1620 K1624 | Y1620-T1622 PolarHBondContact O-N 2.81Å; T1622-K1624 PolarHBondContact O-N 2.9Å |
| 1623 | N | 82.7 | Confident | 85.8 | Confident | 72 Ų | 72 | 53.8 Ų | 53.8 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | trans | -82.9 | 89.8 | -179.3 | -173.8 | -34.6 | 0 | 0 | 0 | 110.6 | Y1620 C1625 L1626 N1627 | Y1620-N1623 PolarHBondContact O-N 2.94Å; N1623-C1625 PolarHBondContact O-N 3.37Å; N1623-C1625 VanDerWaalsContact O-N 3.1Å; N1623-C1625 PolarHBondContact OD1-N 2.86Å; N1623-L1626 HydrophobicContact CB-CB 4.04Å; N1623-L1626 PolarHBondContact O-N 3.14Å; N1623-L1626 PolarHBondContact OD1-N 3.16Å; N1623-N1627 VanDerWaalsContact O-CB 3.27Å; N1623-N1627 WeakPolarHBondContact O-CB 3.15Å; N1623-N1627 PolarHBondContact O-N 3.38Å | ||
| 1624 | K | 80.3 | Confident | 85.8 | Confident | 151 Ų | 151 | 54.3 Ų | 54.3 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -51.6 | -33.3 | -178 | -68.3 | 171.8 | -178.4 | 166.2 | 0 | 114.6 | T1622 R1628 | T1622-K1624 PolarHBondContact O-N 2.9Å; K1624-R1628 WeakPolarHBondContact O-CG 3.43Å; K1624-R1628 PolarHBondContact O-N 3.42Å |
| 1625 | C | 73.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 25% | 0.25 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.9 | -48 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 112 | M1160 N1623 N1627 R1628 L1629 | M1160-C1625 VanDerWaalsContact CE-SG 3.52Å; M1160-C1625 HydrophobicContact SD-CB 4.15Å; N1623-C1625 PolarHBondContact O-N 3.37Å; N1623-C1625 VanDerWaalsContact O-N 3.1Å; N1623-C1625 PolarHBondContact OD1-N 2.86Å; C1625-N1627 PolarHBondContact O-N 2.86Å; C1625-R1628 PolarHBondContact O-N 3.23Å; C1625-L1629 PolarHBondContact O-N 2.99Å; C1625-L1629 VanDerWaalsContact O-N 3.14Å |
| 1626 | L | 82.1 | Confident | 85.8 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -35.6 | 175.2 | 178.8 | 58.2 | 0 | 0 | 0 | 111.4 | Y1620 N1623 L1629 L1630 | Y1620-L1626 HydrophobicContact CD1-CD2 4.04Å; Y1620-L1626 HydrophobicContact CD2-CD2 3.85Å; Y1620-L1626 HydrophobicContact CE2-CD2 4.47Å; Y1620-L1626 HydrophobicContact CG-CD2 3.64Å; N1623-L1626 HydrophobicContact CB-CB 4.04Å; N1623-L1626 PolarHBondContact O-N 3.14Å; N1623-L1626 PolarHBondContact OD1-N 3.16Å; L1626-L1629 HydrophobicContact CD1-CD2 4.13Å; L1626-L1629 WeakPolarHBondContact O-CB 3.26Å; L1626-L1629 PolarHBondContact O-N 2.8Å; L1626-L1630 HydrophobicContact CD1-CD1 4.05Å; L1626-L1630 HydrophobicContact CD1-CD2 4.49Å; L1626-L1630 HydrophobicContact CD1-CG 3.97Å; L1626-L1630 HydrophobicContact CG-CD1 3.88Å; L1626-L1630 HydrophobicContact CG-CG 4.26Å; L1626-L1630 WeakPolarHBondContact O-CB 3.33Å; L1626-L1630 VanDerWaalsContact O-CG 3.3Å; L1626-L1630 WeakPolarHBondContact O-CG 3.39Å; L1626-L1630 PolarHBondContact O-N 3.4Å |
| 1627 | N | 86.2 | Confident | 85.9 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 177.6 | -158.3 | -10.1 | 0 | 0 | 0 | 111.5 | K1621 N1623 C1625 L1629 L1630 D1631 | K1621-N1627 PolarHBondContact O-ND2 3.37Å; N1623-N1627 VanDerWaalsContact O-CB 3.27Å; N1623-N1627 WeakPolarHBondContact O-CB 3.15Å; N1623-N1627 PolarHBondContact O-N 3.38Å; C1625-N1627 PolarHBondContact O-N 2.86Å; N1627-L1629 PolarHBondContact O-N 3.45Å; N1627-L1630 PolarHBondContact O-N 2.86Å; N1627-D1631 WeakPolarHBondContact O-CB 3.4Å; N1627-D1631 PolarHBondContact O-N 3.17Å |
| 1628 | R | 80.8 | Confident | 86 | Confident | 115 Ų | 115 | 49.5 Ų | 49.5 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -43 | 170.6 | -70.3 | 178.7 | -159.3 | 149.9 | 10.2 | 112.9 | K1624 C1625 D1631 A1632 | K1624-R1628 WeakPolarHBondContact O-CG 3.43Å; K1624-R1628 PolarHBondContact O-N 3.42Å; C1625-R1628 PolarHBondContact O-N 3.23Å; R1628-D1631 PolarHBondContact O-N 3.12Å; R1628-A1632 WeakPolarHBondContact O-CB 3.29Å; R1628-A1632 PolarHBondContact O-N 2.89Å |
| 1629 | L | 84.5 | Confident | 86 | Confident | 42 Ų | 42 | 45 Ų | 45 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.2 | -173.2 | 79.1 | 0 | 0 | 0 | 111.6 | E1452 C1625 L1626 N1627 R1633 | E1452-L1629 HydrophobicContact CG-CD1 3.59Å; E1452-L1629 HydrophobicContact CG-CG 4.49Å; C1625-L1629 PolarHBondContact O-N 2.99Å; C1625-L1629 VanDerWaalsContact O-N 3.14Å; L1626-L1629 HydrophobicContact CD1-CD2 4.13Å; L1626-L1629 WeakPolarHBondContact O-CB 3.26Å; L1626-L1629 PolarHBondContact O-N 2.8Å; N1627-L1629 PolarHBondContact O-N 3.45Å; L1629-R1633 WeakPolarHBondContact O-CG 3.4Å; L1629-R1633 PolarHBondContact O-N 2.87Å |
| 1630 | L | 89.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.5 | -38.4 | 179.8 | -66.8 | 172.6 | 0 | 0 | 0 | 112 | V1613 I1617 Y1620 L1626 N1627 R1633 Q1634 | V1613-L1630 HydrophobicContact CG1-CB 4.24Å; V1613-L1630 HydrophobicContact CG1-CD2 4.3Å; V1613-L1630 WeakPolarHBondContact CG1-O 3.27Å; I1617-L1630 HydrophobicContact CD1-CB 4.17Å; I1617-L1630 HydrophobicContact CG1-CB 3.51Å; I1617-L1630 HydrophobicContact CG1-CD1 4.32Å; Y1620-L1630 HydrophobicContact CD2-CD1 4.15Å; L1626-L1630 HydrophobicContact CD1-CD1 4.05Å; L1626-L1630 HydrophobicContact CD1-CD2 4.49Å; L1626-L1630 HydrophobicContact CD1-CG 3.97Å; L1626-L1630 HydrophobicContact CG-CD1 3.88Å; L1626-L1630 HydrophobicContact CG-CG 4.26Å; L1626-L1630 WeakPolarHBondContact O-CB 3.33Å; L1626-L1630 VanDerWaalsContact O-CG 3.3Å; L1626-L1630 WeakPolarHBondContact O-CG 3.39Å; L1626-L1630 PolarHBondContact O-N 3.4Å; N1627-L1630 PolarHBondContact O-N 2.86Å; L1630-R1633 WeakPolarHBondContact O-CB 3.42Å; L1630-R1633 PolarHBondContact O-N 2.86Å; L1630-R1633 VanDerWaalsContact O-N 3.16Å; L1630-Q1634 WeakPolarHBondContact O-CB 3.1Å; L1630-Q1634 PolarHBondContact O-N 2.83Å |
| 1631 | D | 89.7 | Confident | 86.5 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.6 | -178.1 | 57.5 | 0 | 0 | 0 | 111.7 | N1627 R1628 R1633 Q1634 L1635 | N1627-D1631 WeakPolarHBondContact O-CB 3.4Å; N1627-D1631 PolarHBondContact O-N 3.17Å; R1628-D1631 PolarHBondContact O-N 3.12Å; D1631-R1633 PolarHBondContact O-N 2.86Å; D1631-Q1634 PolarHBondContact O-N 3.28Å; D1631-L1635 WeakPolarHBondContact O-CB 3.5Å; D1631-L1635 PolarHBondContact O-N 3.45Å |
| 1632 | A | 87.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.8 | -38.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1449 E1452 F1453 R1628 G1636 | R1449-A1632 HydrophobicContact CB-CB 4.08Å; R1449-A1632 HydrophobicContact CG-CB 3.91Å; E1452-A1632 HydrophobicContact CB-CB 4.37Å; F1453-A1632 VanDerWaalsContact CE1-O 3.3Å; F1453-A1632 WeakPolarHBondContact CE1-O 3.35Å; R1628-A1632 WeakPolarHBondContact O-CB 3.29Å; R1628-A1632 PolarHBondContact O-N 2.89Å; A1632-G1636 PolarHBondContact O-N 3Å |
| 1633 | R | 91 | Very high | 87.1 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.6 | -47.9 | 174.7 | -70.8 | 168.6 | 176.4 | -170.2 | -1.1 | 112.4 | M256 E259 E1452 I1456 V1613 L1629 L1630 D1631 L1635 G1636 L1637 | M256-R1633 HydrophobicContact SD-CB 4.37Å; M256-R1633 HydrophobicContact SD-CG 3.88Å; E259-R1633 VanDerWaalsContact CD-NH1 3.25Å; E259-R1633 IonicContact OE1-CZ 3.3Å; E259-R1633 IonicContact OE1-NH1 3.39Å; E259-R1633 PolarHBondContact OE1-NH1 3.28Å; E259-R1633 IonicContact OE1-NH2 3.92Å; E259-R1633 IonicContact OE2-CZ 3.45Å; E259-R1633 IonicContact OE2-NH1 2.87Å; E259-R1633 PolarHBondContact OE2-NH1 3.29Å; E259-R1633 IonicContact OE2-NH2 2.7Å; E259-R1633 PolarHBondContact OE2-NH2 2.96Å; E1452-R1633 HydrophobicContact CB-CG 4.45Å; E1452-R1633 IonicContact OE2-CZ 3.6Å; E1452-R1633 IonicContact OE2-NE 2.79Å; E1452-R1633 PolarHBondContact OE2-NE 3.11Å; E1452-R1633 IonicContact OE2-NH2 3.51Å; E1452-R1633 PolarHBondContact OE2-NH2 3.29Å; I1456-R1633 HydrophobicContact CD1-CB 4.3Å; I1456-R1633 HydrophobicContact CD1-CG 4.13Å; V1613-R1633 HydrophobicContact CG1-CB 3.98Å; V1613-R1633 HydrophobicContact CG2-CB 4.33Å; L1629-R1633 WeakPolarHBondContact O-CG 3.4Å; L1629-R1633 PolarHBondContact O-N 2.87Å; L1630-R1633 WeakPolarHBondContact O-CB 3.42Å; L1630-R1633 PolarHBondContact O-N 2.86Å; L1630-R1633 VanDerWaalsContact O-N 3.16Å; D1631-R1633 PolarHBondContact O-N 2.86Å; R1633-L1635 VanDerWaalsContact C-N 3.33Å; R1633-L1635 PolarHBondContact O-N 3.07Å; R1633-G1636 PolarHBondContact O-N 3.02Å; R1633-L1637 WeakPolarHBondContact O-CB 3.25Å; R1633-L1637 WeakPolarHBondContact O-CD1 3.45Å; R1633-L1637 VanDerWaalsContact O-CG 3.24Å; R1633-L1637 WeakPolarHBondContact O-CG 3.28Å; R1633-L1637 PolarHBondContact O-N 2.84Å |
| 1634 | Q | 93 | Very high | 87.6 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.7 | -46 | 175.6 | 149 | 67.1 | -5.2 | 0 | 0 | 111.6 | V1613 K1614 I1617 L1630 D1631 L1637 K1638 | V1613-Q1634 HydrophobicContact CG1-CB 3.95Å; K1614-Q1634 HydrophobicContact CG-CG 4.44Å; K1614-Q1634 VanDerWaalsContact CG-OE1 3.31Å; I1617-Q1634 HydrophobicContact CD1-CB 3.93Å; I1617-Q1634 HydrophobicContact CD1-CG 4.29Å; L1630-Q1634 WeakPolarHBondContact O-CB 3.1Å; L1630-Q1634 PolarHBondContact O-N 2.83Å; D1631-Q1634 PolarHBondContact O-N 3.28Å; Q1634-L1637 PolarHBondContact O-N 3.42Å; Q1634-K1638 PolarHBondContact O-N 2.74Å |
| 1635 | L | 90.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 25 Ų | 25 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 178.9 | 178.3 | 56.5 | 0 | 0 | 0 | 111.9 | L576 F1453 D1631 R1633 L1637 K1638 L1639 | L576-L1635 HydrophobicContact CD1-CD1 3.57Å; L576-L1635 HydrophobicContact CD1-CD2 4.13Å; F1453-L1635 HydrophobicContact CE1-CB 4.48Å; F1453-L1635 HydrophobicContact CE1-CG 4.37Å; F1453-L1635 HydrophobicContact CZ-CD2 4.04Å; F1453-L1635 HydrophobicContact CZ-CG 4.05Å; D1631-L1635 WeakPolarHBondContact O-CB 3.5Å; D1631-L1635 PolarHBondContact O-N 3.45Å; R1633-L1635 VanDerWaalsContact C-N 3.33Å; R1633-L1635 PolarHBondContact O-N 3.07Å; L1635-L1637 VanDerWaalsContact C-N 3.3Å; L1635-L1637 PolarHBondContact O-N 2.94Å; L1635-K1638 PolarHBondContact O-N 2.85Å; L1635-L1639 WeakPolarHBondContact O-CB 3.5Å; L1635-L1639 PolarHBondContact O-N 3.47Å |
| 1636 | G | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1632 R1633 M1640 | A1632-G1636 PolarHBondContact O-N 3Å; R1633-G1636 PolarHBondContact O-N 3.02Å; G1636-M1640 WeakPolarHBondContact O-CG 3.31Å; G1636-M1640 PolarHBondContact O-N 3.46Å; G1636-M1640 VanDerWaalsContact O-N 3.1Å |
| 1637 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.6 | -40 | 177.9 | -65.9 | 166.4 | 0 | 0 | 0 | 112.6 | L253 I1456 L1606 T1609 R1610 V1613 R1633 Q1634 L1635 M1640 A1641 | L253-L1637 HydrophobicContact CD2-CD2 3.86Å; I1456-L1637 HydrophobicContact CG2-CD2 3.81Å; I1456-L1637 HydrophobicContact CG2-CG 4.33Å; L1606-L1637 HydrophobicContact CD2-CD2 3.61Å; T1609-L1637 HydrophobicContact CG2-CD1 3.93Å; R1610-L1637 HydrophobicContact CB-CB 3.93Å; R1610-L1637 HydrophobicContact CB-CD1 4.24Å; R1610-L1637 HydrophobicContact CG-CB 4.08Å; V1613-L1637 HydrophobicContact CG2-CD1 4.33Å; R1633-L1637 WeakPolarHBondContact O-CB 3.25Å; R1633-L1637 WeakPolarHBondContact O-CD1 3.45Å; R1633-L1637 VanDerWaalsContact O-CG 3.24Å; R1633-L1637 WeakPolarHBondContact O-CG 3.28Å; R1633-L1637 PolarHBondContact O-N 2.84Å; Q1634-L1637 PolarHBondContact O-N 3.42Å; L1635-L1637 VanDerWaalsContact C-N 3.3Å; L1635-L1637 PolarHBondContact O-N 2.94Å; L1637-M1640 PolarHBondContact O-N 2.93Å; L1637-A1641 PolarHBondContact O-N 3.2Å; L1637-A1641 VanDerWaalsContact O-N 3.16Å |
| 1638 | K | 91.2 | Very high | 89.6 | Confident | 15 Ų | 15 | 22.2 Ų | 22.2 | 7% | 0.065 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 171.3 | -170.8 | 178.9 | -173.6 | 173.8 | 0 | 110.4 | L576 D577 D579 Q1634 L1635 M1640 A1641 N1642 | L576-K1638 PolarHBondContact O-NZ 3.13Å; D577-K1638 IonicContact OD1-NZ 3.45Å; D577-K1638 PolarHBondContact OD1-NZ 2.7Å; D579-K1638 WeakPolarHBondContact OD1-CE 3.36Å; D579-K1638 IonicContact OD1-NZ 2.82Å; D579-K1638 PolarHBondContact OD1-NZ 3.39Å; D579-K1638 IonicContact OD2-NZ 3.7Å; Q1634-K1638 PolarHBondContact O-N 2.74Å; L1635-K1638 PolarHBondContact O-N 2.85Å; K1638-M1640 PolarHBondContact O-N 2.76Å; K1638-A1641 PolarHBondContact O-N 2.85Å; K1638-N1642 PolarHBondContact O-N 3.34Å; K1638-N1642 PolarHBondContact O-OD1 3.01Å |
| 1639 | L | 88.9 | Confident | 89.8 | Confident | 36 Ų | 36 | 18.6 Ų | 18.6 | 19% | 0.188 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | -179 | -176.8 | 61.5 | 0 | 0 | 0 | 112.6 | F582 F1457 L1635 V1643 | F582-L1639 HydrophobicContact CD1-CD1 4.39Å; F582-L1639 HydrophobicContact CE1-CD1 3.77Å; F582-L1639 HydrophobicContact CZ-CD1 4.36Å; F1457-L1639 HydrophobicContact CZ-CD2 4.46Å; L1635-L1639 WeakPolarHBondContact O-CB 3.5Å; L1635-L1639 PolarHBondContact O-N 3.47Å; L1639-V1643 HydrophobicContact CD1-CG2 4.24Å; L1639-V1643 WeakPolarHBondContact O-CB 3.47Å; L1639-V1643 WeakPolarHBondContact O-CG2 3.47Å; L1639-V1643 PolarHBondContact O-N 2.89Å |
| 1640 | M | 89.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 178.8 | -72.9 | -50.6 | -57.4 | 0 | 0 | 113.3 | F1457 R1472 V1473 L1476 L1606 G1636 L1637 K1638 V1643 I1644 | F1457-M1640 HydrophobicContact CD1-CG 3.45Å; F1457-M1640 VanDerWaalsContact CD1-CG 3.45Å; F1457-M1640 HydrophobicContact CD1-SD 3.66Å; F1457-M1640 HydrophobicContact CE1-CG 3.39Å; F1457-M1640 HydrophobicContact CE1-SD 3.81Å; F1457-M1640 HydrophobicContact CG-SD 4.21Å; F1457-M1640 HydrophobicContact CZ-CG 4.38Å; F1457-M1640 HydrophobicContact CZ-SD 4.42Å; R1472-M1640 VanDerWaalsContact C-CE 3.45Å; R1472-M1640 HydrophobicContact CB-CE 3.69Å; R1472-M1640 HydrophobicContact CB-SD 3.51Å; R1472-M1640 VanDerWaalsContact CB-SD 3.51Å; R1472-M1640 HydrophobicContact CG-SD 4.5Å; R1472-M1640 WeakPolarHBondContact O-CE 3.23Å; V1473-M1640 HydrophobicContact CG2-CE 3.93Å; L1476-M1640 HydrophobicContact CD1-CB 4.47Å; L1476-M1640 HydrophobicContact CD1-CE 3.66Å; L1476-M1640 HydrophobicContact CD1-CG 4.3Å; L1476-M1640 HydrophobicContact CG-CE 4.35Å; L1606-M1640 HydrophobicContact CD1-CB 4.22Å; L1606-M1640 HydrophobicContact CD2-CB 4.38Å; G1636-M1640 WeakPolarHBondContact O-CG 3.31Å; G1636-M1640 PolarHBondContact O-N 3.46Å; G1636-M1640 VanDerWaalsContact O-N 3.1Å; L1637-M1640 PolarHBondContact O-N 2.93Å; K1638-M1640 PolarHBondContact O-N 2.76Å; M1640-V1643 PolarHBondContact O-N 3.3Å; M1640-I1644 VanDerWaalsContact O-CD1 3.31Å; M1640-I1644 WeakPolarHBondContact O-CD1 3.3Å; M1640-I1644 VanDerWaalsContact O-CG1 3.29Å; M1640-I1644 WeakPolarHBondContact O-CG1 3.43Å; M1640-I1644 PolarHBondContact O-N 3.47Å |
| 1641 | A | 90.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1531 L1603 L1637 K1638 V1643 I1644 | P1531-A1641 HydrophobicContact CG-CB 4.34Å; L1603-A1641 HydrophobicContact CD2-CB 4.47Å; L1637-A1641 PolarHBondContact O-N 3.2Å; L1637-A1641 VanDerWaalsContact O-N 3.16Å; K1638-A1641 PolarHBondContact O-N 2.85Å; A1641-V1643 VanDerWaalsContact C-N 3.35Å; A1641-V1643 PolarHBondContact O-N 2.93Å; A1641-I1644 PolarHBondContact O-N 2.92Å |
| 1642 | N | 84.4 | Confident | 88.7 | Confident | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.5 | -35.7 | -177.7 | -65.2 | 23.1 | 0 | 0 | 0 | 112.2 | K1638 I1644 | K1638-N1642 PolarHBondContact O-N 3.34Å; K1638-N1642 PolarHBondContact O-OD1 3.01Å; N1642-I1644 PolarHBondContact O-N 3.09Å |
| 1643 | V | 90.8 | Very high | 88.4 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -27.9 | -178.4 | 165.1 | 0 | 0 | 0 | 0 | 113.4 | V1473 L1639 M1640 A1641 F1645 G1646 Y1647 | V1473-V1643 HydrophobicContact CG2-CB 4.48Å; V1473-V1643 HydrophobicContact CG2-CG1 3.46Å; V1473-V1643 VanDerWaalsContact CG2-CG1 3.46Å; L1639-V1643 HydrophobicContact CD1-CG2 4.24Å; L1639-V1643 WeakPolarHBondContact O-CB 3.47Å; L1639-V1643 WeakPolarHBondContact O-CG2 3.47Å; L1639-V1643 PolarHBondContact O-N 2.89Å; M1640-V1643 PolarHBondContact O-N 3.3Å; A1641-V1643 VanDerWaalsContact C-N 3.35Å; A1641-V1643 PolarHBondContact O-N 2.93Å; V1643-F1645 VanDerWaalsContact C-N 3.35Å; V1643-F1645 PolarHBondContact O-N 3.35Å; V1643-G1646 CarbonylContact O-C 3.56Å; V1643-G1646 WeakPolarHBondContact O-CA 3.08Å; V1643-G1646 PolarHBondContact O-N 2.73Å; V1643-Y1647 PolarHBondContact O-N 2.82Å; V1643-Y1647 VanDerWaalsContact O-N 3.12Å |
| 1644 | I | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | -173.6 | -77.5 | 158.5 | 0 | 0 | 0 | 112.4 | V1473 L1599 M1602 L1603 L1606 M1640 A1641 N1642 Y1647 | V1473-I1644 HydrophobicContact CG1-CG1 4.26Å; V1473-I1644 HydrophobicContact CG2-CG1 4.07Å; L1599-I1644 HydrophobicContact CD2-CG2 4.11Å; M1602-I1644 HydrophobicContact CE-CD1 3.8Å; M1602-I1644 HydrophobicContact CE-CG1 4.01Å; M1602-I1644 HydrophobicContact CE-CG2 4.18Å; M1602-I1644 HydrophobicContact CG-CD1 4.26Å; M1602-I1644 HydrophobicContact SD-CD1 4.21Å; L1603-I1644 HydrophobicContact CD1-CG2 4.09Å; L1603-I1644 HydrophobicContact CD2-CB 4.11Å; L1603-I1644 HydrophobicContact CD2-CD1 3.52Å; L1603-I1644 HydrophobicContact CD2-CG1 4.41Å; L1603-I1644 HydrophobicContact CD2-CG2 4.13Å; L1603-I1644 HydrophobicContact CG-CD1 4.2Å; L1603-I1644 HydrophobicContact CG-CG2 4.22Å; L1606-I1644 HydrophobicContact CD1-CD1 3.46Å; L1606-I1644 VanDerWaalsContact CD1-CD1 3.46Å; M1640-I1644 VanDerWaalsContact O-CD1 3.31Å; M1640-I1644 WeakPolarHBondContact O-CD1 3.3Å; M1640-I1644 VanDerWaalsContact O-CG1 3.29Å; M1640-I1644 WeakPolarHBondContact O-CG1 3.43Å; M1640-I1644 PolarHBondContact O-N 3.47Å; A1641-I1644 PolarHBondContact O-N 2.92Å; N1642-I1644 PolarHBondContact O-N 3.09Å; I1644-Y1647 WeakPolarHBondContact O-CB 3.34Å; I1644-Y1647 PolarHBondContact O-N 2.73Å |
| 1645 | F | 89.8 | Confident | 87.8 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 170.7 | 162.7 | -105.1 | 0 | 0 | 0 | 111.7 | Y1530 V1643 Y1647 T1648 A1649 I1665 V1666 | Y1530-F1645 HydrophobicContact CD2-CB 4.45Å; Y1530-F1645 AromaticContact CD2-CD1 3.45Å; Y1530-F1645 HydrophobicContact CD2-CD1 3.45Å; Y1530-F1645 VanDerWaalsContact CD2-CD1 3.45Å; Y1530-F1645 HydrophobicContact CD2-CD2 4.45Å; Y1530-F1645 AromaticContact CD2-CE1 3.73Å; Y1530-F1645 HydrophobicContact CD2-CE1 3.73Å; Y1530-F1645 AromaticContact CD2-CG 3.85Å; Y1530-F1645 HydrophobicContact CD2-CG 3.85Å; Y1530-F1645 HydrophobicContact CD2-CZ 4.35Å; Y1530-F1645 AromaticContact CE2-CD1 3.86Å; Y1530-F1645 HydrophobicContact CE2-CD1 3.86Å; Y1530-F1645 AromaticContact CE2-CE1 3.67Å; Y1530-F1645 HydrophobicContact CE2-CE1 3.67Å; Y1530-F1645 HydrophobicContact CE2-CZ 4.27Å; Y1530-F1645 HydrophobicContact CG-CD1 4.27Å; Y1530-F1645 HydrophobicContact CG-CG 4.24Å; V1643-F1645 VanDerWaalsContact C-N 3.35Å; V1643-F1645 PolarHBondContact O-N 3.35Å; F1645-Y1647 PolarHBondContact O-N 3.23Å; F1645-T1648 PolarHBondContact O-N 2.86Å; F1645-T1648 PolarHBondContact O-OG1 3.27Å; F1645-A1649 HydrophobicContact CE2-CB 4.39Å; F1645-A1649 HydrophobicContact CZ-CB 4.31Å; F1645-A1649 PolarHBondContact O-N 2.73Å; F1645-I1665 HydrophobicContact CD2-CB 4.17Å; F1645-I1665 HydrophobicContact CD2-CD1 4.04Å; F1645-I1665 HydrophobicContact CD2-CG2 3.76Å; F1645-I1665 HydrophobicContact CE2-CB 4.16Å; F1645-I1665 HydrophobicContact CE2-CG2 4.01Å; F1645-V1666 HydrophobicContact CE2-CG2 3.81Å; F1645-V1666 HydrophobicContact CZ-CG2 3.53Å |
| 1646 | G | 89.1 | Confident | 87.9 | Confident | 34 Ų | 34 | 27 Ų | 27 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.6 | -15.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1643 | V1643-G1646 CarbonylContact O-C 3.56Å; V1643-G1646 WeakPolarHBondContact O-CA 3.08Å; V1643-G1646 PolarHBondContact O-N 2.73Å |
| 1647 | Y | 92.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.4 | -34.1 | 172.1 | -173.6 | -95.4 | 0 | 0 | 0 | 113 | Q1470 V1473 E1474 L1477 Y1541 V1643 I1644 F1645 M1656 | Q1470-Y1647 HydrophobicContact CB-CD2 3.93Å; Q1470-Y1647 HydrophobicContact CB-CE2 4.01Å; Q1470-Y1647 HydrophobicContact CG-CD2 3.99Å; Q1470-Y1647 HydrophobicContact CG-CE2 4.32Å; V1473-Y1647 HydrophobicContact CB-CD2 4.17Å; V1473-Y1647 HydrophobicContact CB-CG 4.23Å; V1473-Y1647 HydrophobicContact CG1-CD1 4.07Å; V1473-Y1647 HydrophobicContact CG1-CD2 4.24Å; V1473-Y1647 HydrophobicContact CG1-CG 3.86Å; E1474-Y1647 HydrophobicContact CG-CE2 3.87Å; E1474-Y1647 WeakPolarHBondContact CG-OH 3.4Å; E1474-Y1647 PolarHBondContact OE1-OH 2.85Å; L1477-Y1647 HydrophobicContact CD2-CE1 4.34Å; Y1541-Y1647 WeakPolarHBondContact OH-CD1 3.34Å; V1643-Y1647 PolarHBondContact O-N 2.82Å; V1643-Y1647 VanDerWaalsContact O-N 3.12Å; I1644-Y1647 WeakPolarHBondContact O-CB 3.34Å; I1644-Y1647 PolarHBondContact O-N 2.73Å; F1645-Y1647 PolarHBondContact O-N 3.23Å; Y1647-M1656 HydrophobicContact CE1-CB 4.08Å; Y1647-M1656 HydrophobicContact CE1-CE 4.49Å |
| 1648 | T | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.3 | -38 | -179 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | Y1541 L1599 F1645 P1657 C1658 L1661 | Y1541-T1648 HydrophobicContact CE2-CG2 3.99Å; L1599-T1648 HydrophobicContact CD1-CG2 3.8Å; F1645-T1648 PolarHBondContact O-N 2.86Å; F1645-T1648 PolarHBondContact O-OG1 3.27Å; T1648-P1657 CarbonylContact O-C 3.52Å; T1648-P1657 WeakPolarHBondContact O-CA 3.25Å; T1648-C1658 PolarHBondContact O-N 3.42Å; T1648-L1661 HydrophobicContact CG2-CD2 3.71Å; T1648-L1661 HydrophobicContact CG2-CG 4.26Å |
| 1649 | A | 86.3 | Confident | 88.2 | Confident | 38 Ų | 38 | 26.4 Ų | 26.4 | 31% | 0.314 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1645 S1651 | F1645-A1649 HydrophobicContact CE2-CB 4.39Å; F1645-A1649 HydrophobicContact CZ-CB 4.31Å; F1645-A1649 PolarHBondContact O-N 2.73Å; A1649-S1651 VanDerWaalsContact C-N 3.34Å; A1649-S1651 PolarHBondContact O-N 3.29Å |
| 1650 | A | 86.6 | Confident | 88.4 | Confident | 19 Ų | 19 | 24.8 Ų | 24.8 | 16% | 0.157 | 14% | 0.143 | C | C | . | . | trans | -80.8 | 63.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1652 G1654 | A1650-F1652 PolarHBondContact O-N 3.08Å; A1650-G1654 WeakPolarHBondContact O-CA 3.43Å; A1650-G1654 PolarHBondContact O-N 3.33Å | ||
| 1651 | S | 79.7 | Confident | 88.7 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 22% | 0.217 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -40.6 | -167.9 | -50.5 | 0 | 0 | 0 | 0 | 115.4 | Q1499 P1502 A1649 | Q1499-S1651 PolarHBondContact NE2-O 2.94Å; P1502-S1651 WeakPolarHBondContact CG-OG 2.96Å; A1649-S1651 VanDerWaalsContact C-N 3.34Å; A1649-S1651 PolarHBondContact O-N 3.29Å |
| 1652 | F | 74 | Confident | 88.9 | Confident | 164 Ų | 164 | 24.7 Ų | 24.7 | 72% | 0.719 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -57.4 | -176.7 | -172 | -98.4 | 0 | 0 | 0 | 113.4 | M591 A1650 | M591-F1652 HydrophobicContact CE-CE1 4.01Å; M591-F1652 HydrophobicContact CE-CZ 4.07Å; A1650-F1652 PolarHBondContact O-N 3.08Å |
| 1653 | S | 80.9 | Confident | 89.3 | Confident | 66 Ų | 66 | 22.9 Ų | 22.9 | 46% | 0.462 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 4.8 | -172.5 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | Q1470 | Q1470-S1653 PolarHBondContact NE2-O 3.28Š|
| 1654 | G | 83.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -63.1 | 156.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1496 A1650 | R1496-G1654 WeakPolarHBondContact CD-O 3.14Å; R1496-G1654 VanDerWaalsContact CZ-O 3.3Å; R1496-G1654 PolarHBondContact NE-O 3.36Å; A1650-G1654 WeakPolarHBondContact O-CA 3.43Å; A1650-G1654 PolarHBondContact O-N 3.33Å | ||
| 1655 | R | 88.7 | Confident | 89.7 | Confident | 61 Ų | 61 | 21.8 Ų | 21.8 | 23% | 0.23 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -105.3 | -20.6 | 174.6 | -75.7 | 179.3 | -75.3 | 135.9 | 11.4 | 113.8 | H160 E1474 P1491 | H160-R1655 HydrophobicContact CB-CB 4.45Å; H160-R1655 PolarHBondContact O-NH1 2.83Å; E1474-R1655 VanDerWaalsContact CD-NH1 3.28Å; E1474-R1655 IonicContact OE1-CZ 3.15Å; E1474-R1655 IonicContact OE1-NE 2.97Å; E1474-R1655 PolarHBondContact OE1-NE 3.32Å; E1474-R1655 IonicContact OE1-NH1 3.16Å; E1474-R1655 PolarHBondContact OE1-NH1 3.07Å; E1474-R1655 VanDerWaalsContact OE1-NH1 3.08Å; E1474-R1655 IonicContact OE1-NH2 2.62Å; E1474-R1655 PolarHBondContact OE1-NH2 2.89Å; E1474-R1655 IonicContact OE2-CZ 3.73Å; E1474-R1655 IonicContact OE2-NH1 3.84Å; E1474-R1655 PolarHBondContact OE2-NH1 2.99Å; E1474-R1655 IonicContact OE2-NH2 3.34Å; E1474-R1655 PolarHBondContact OE2-NH2 3.2Å; P1491-R1655 WeakPolarHBondContact CD-O 3.42Å |
| 1656 | M | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -146.1 | 59.8 | 166 | -164 | -172.6 | 81.6 | 0 | 0 | 111.9 | I116 Y117 L1477 L1488 P1489 Y1541 Y1647 | I116-M1656 HydrophobicContact CG2-CE 4.03Å; I116-M1656 HydrophobicContact CG2-SD 3.87Å; Y117-M1656 HydrophobicContact CD2-CG 4.33Å; L1477-M1656 HydrophobicContact CD2-CE 4.31Å; L1488-M1656 HydrophobicContact CB-SD 4.19Å; L1488-M1656 HydrophobicContact CD2-CE 3.91Å; L1488-M1656 HydrophobicContact CD2-SD 3.76Å; P1489-M1656 HydrophobicContact CG-CG 4.2Å; P1489-M1656 HydrophobicContact CG-SD 3.95Å; Y1541-M1656 HydrophobicContact CD1-CE 3.91Å; Y1541-M1656 HydrophobicContact CD2-CE 3.86Å; Y1541-M1656 HydrophobicContact CE1-CE 3.6Å; Y1541-M1656 WeakPolarHBondContact CE1-O 3.45Å; Y1541-M1656 HydrophobicContact CE2-CE 3.57Å; Y1541-M1656 HydrophobicContact CG-CE 4.01Å; Y1541-M1656 VanDerWaalsContact CZ-CE 3.41Å; Y1541-M1656 PolarHBondContact OH-O 3.04Å; Y1647-M1656 HydrophobicContact CE1-CB 4.08Å; Y1647-M1656 HydrophobicContact CE1-CE 4.49Å |
| 1657 | P | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -71 | 159.3 | 176.2 | 31.7 | -32.7 | 0 | 0 | 0 | 111.5 | R1496 T1648 | R1496-P1657 HydrophobicContact CG-CG 4.1Å; T1648-P1657 CarbonylContact O-C 3.52Å; T1648-P1657 WeakPolarHBondContact O-CA 3.25Å | ||
| 1658 | C | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -150.2 | 98.2 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | Y117 Y1541 T1648 D1660 L1661 G1662 | Y117-C1658 HydrophobicContact CE2-CB 3.92Å; Y117-C1658 PolarHBondContact OH-SG 3.47Å; Y1541-C1658 HydrophobicContact CD1-CB 3.77Å; Y1541-C1658 HydrophobicContact CE1-CB 3.51Å; T1648-C1658 PolarHBondContact O-N 3.42Å; C1658-D1660 VanDerWaalsContact C-N 3.32Å; C1658-D1660 PolarHBondContact O-N 3.34Å; C1658-L1661 HydrophobicContact CB-CB 4.14Å; C1658-L1661 WeakPolarHBondContact O-CB 3.42Å; C1658-L1661 PolarHBondContact O-N 3.5Å; C1658-L1661 VanDerWaalsContact O-N 3.14Å; C1658-G1662 PolarHBondContact O-N 2.95Å; C1658-G1662 VanDerWaalsContact O-N 3.08Å | ||
| 1659 | V | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.5 | -43.9 | -175.5 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | L1500 P1502 L1661 G1662 D1663 | L1500-V1659 HydrophobicContact CB-CG1 3.99Å; P1502-V1659 HydrophobicContact CB-CG2 4.08Å; P1502-V1659 HydrophobicContact CG-CG2 4.01Å; V1659-L1661 PolarHBondContact O-N 3.47Å; V1659-G1662 WeakPolarHBondContact O-CA 3.3Å; V1659-G1662 PolarHBondContact O-N 3.47Å; V1659-D1663 WeakPolarHBondContact CG2-OD2 3.17Å; V1659-D1663 PolarHBondContact O-N 3.38Å |
| 1660 | D | 93.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -33.7 | -179.7 | -51.3 | -72.4 | 0 | 0 | 0 | 112.6 | R1547 G1562 V1587 C1658 S1664 | R1547-D1660 IonicContact CZ-OD1 3.15Å; R1547-D1660 IonicContact NE-OD1 2.69Å; R1547-D1660 PolarHBondContact NE-OD1 3.14Å; R1547-D1660 IonicContact NH2-OD1 2.77Å; R1547-D1660 PolarHBondContact NH2-OD1 3.45Å; R1547-D1660 VanDerWaalsContact NH2-OD1 3.15Å; G1562-D1660 PolarHBondContact N-OD2 2.88Å; V1587-D1660 HydrophobicContact CG1-CB 4.48Å; V1587-D1660 HydrophobicContact CG2-CB 4.23Å; C1658-D1660 VanDerWaalsContact C-N 3.32Å; C1658-D1660 PolarHBondContact O-N 3.34Å; D1660-S1664 WeakPolarHBondContact O-CB 3.44Å; D1660-S1664 PolarHBondContact O-N 2.92Å; D1660-S1664 PolarHBondContact O-OG 3.15Å |
| 1661 | L | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75 | -40.4 | 173.6 | 175.4 | 62.4 | 0 | 0 | 0 | 111.9 | Y1541 F1589 L1599 T1648 C1658 V1659 I1665 | Y1541-L1661 HydrophobicContact CD1-CD2 3.93Å; Y1541-L1661 HydrophobicContact CD2-CD2 3.86Å; Y1541-L1661 HydrophobicContact CE1-CD2 4.07Å; Y1541-L1661 HydrophobicContact CE2-CD2 3.99Å; Y1541-L1661 HydrophobicContact CG-CD2 3.84Å; F1589-L1661 HydrophobicContact CE1-CD1 3.92Å; F1589-L1661 HydrophobicContact CZ-CD1 4.19Å; L1599-L1661 HydrophobicContact CD1-CD2 4.03Å; T1648-L1661 HydrophobicContact CG2-CD2 3.71Å; T1648-L1661 HydrophobicContact CG2-CG 4.26Å; C1658-L1661 HydrophobicContact CB-CB 4.14Å; C1658-L1661 WeakPolarHBondContact O-CB 3.42Å; C1658-L1661 PolarHBondContact O-N 3.5Å; C1658-L1661 VanDerWaalsContact O-N 3.14Å; V1659-L1661 PolarHBondContact O-N 3.47Å; L1661-I1665 HydrophobicContact CD1-CD1 4.12Å; L1661-I1665 HydrophobicContact CG-CD1 4.2Å; L1661-I1665 VanDerWaalsContact O-CD1 3.24Å; L1661-I1665 WeakPolarHBondContact O-CD1 3.45Å; L1661-I1665 VanDerWaalsContact O-CG1 3.26Å; L1661-I1665 WeakPolarHBondContact O-CG1 3.5Å; L1661-I1665 PolarHBondContact O-N 3.14Å |
| 1662 | G | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.5 | -52.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1658 V1659 S1664 I1665 V1666 | C1658-G1662 PolarHBondContact O-N 2.95Å; C1658-G1662 VanDerWaalsContact O-N 3.08Å; V1659-G1662 WeakPolarHBondContact O-CA 3.3Å; V1659-G1662 PolarHBondContact O-N 3.47Å; G1662-S1664 VanDerWaalsContact C-N 3.34Å; G1662-S1664 PolarHBondContact O-N 3.3Å; G1662-I1665 PolarHBondContact O-N 3.35Å; G1662-V1666 PolarHBondContact O-N 3.01Å; G1662-V1666 VanDerWaalsContact O-N 3.12Å |
| 1663 | D | 94.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.027 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | -178.5 | -69.6 | -15.4 | 0 | 0 | 0 | 111.9 | E1503 G1504 V1659 I1665 V1666 H1667 | E1503-D1663 PolarHBondContact N-OD1 3.48Å; E1503-D1663 PolarHBondContact N-OD2 3.31Å; G1504-D1663 WeakPolarHBondContact CA-OD1 3.35Å; G1504-D1663 VanDerWaalsContact N-CG 3.31Å; G1504-D1663 PolarHBondContact N-OD1 3.43Å; V1659-D1663 WeakPolarHBondContact CG2-OD2 3.17Å; V1659-D1663 PolarHBondContact O-N 3.38Å; D1663-I1665 VanDerWaalsContact C-N 3.29Å; D1663-I1665 PolarHBondContact O-N 3.46Å; D1663-V1666 PolarHBondContact O-N 3.31Å; D1663-H1667 WeakPolarHBondContact O-CB 3.38Å; D1663-H1667 PolarHBondContact O-N 3.39Å |
| 1664 | S | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | Y1539 S1583 N1585 V1587 D1660 G1662 K1668 | Y1539-S1664 WeakPolarHBondContact CE2-O 3.25Å; S1583-S1664 WeakPolarHBondContact OG-CB 3.31Å; S1583-S1664 PolarHBondContact OG-OG 3.2Å; S1583-S1664 VanDerWaalsContact OG-OG 3.06Å; N1585-S1664 PolarHBondContact ND2-N 2.94Å; N1585-S1664 PolarHBondContact ND2-OG 3.44Å; N1585-S1664 PolarHBondContact OD1-OG 3.09Å; V1587-S1664 WeakPolarHBondContact CB-OG 3.32Å; D1660-S1664 WeakPolarHBondContact O-CB 3.44Å; D1660-S1664 PolarHBondContact O-N 2.92Å; D1660-S1664 PolarHBondContact O-OG 3.15Å; G1662-S1664 VanDerWaalsContact C-N 3.34Å; G1662-S1664 PolarHBondContact O-N 3.3Å; S1664-K1668 WeakPolarHBondContact O-CB 3.38Å; S1664-K1668 PolarHBondContact O-N 3.4Å |
| 1665 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.3 | -44.8 | 176.7 | -64.1 | 158.1 | 0 | 0 | 0 | 110.2 | Y1530 V1533 I1534 Y1539 F1645 L1661 G1662 D1663 A1669 | Y1530-I1665 HydrophobicContact CD1-CG2 4.08Å; Y1530-I1665 HydrophobicContact CG-CG2 4.16Å; V1533-I1665 HydrophobicContact CG1-CG2 4.46Å; I1534-I1665 HydrophobicContact CD1-CD1 3.86Å; I1534-I1665 HydrophobicContact CD1-CG1 4.47Å; I1534-I1665 HydrophobicContact CG1-CD1 3.69Å; I1534-I1665 HydrophobicContact CG1-CG1 3.84Å; I1534-I1665 HydrophobicContact CG1-CG2 4.32Å; Y1539-I1665 HydrophobicContact CD2-CG1 3.88Å; F1645-I1665 HydrophobicContact CD2-CB 4.17Å; F1645-I1665 HydrophobicContact CD2-CD1 4.04Å; F1645-I1665 HydrophobicContact CD2-CG2 3.76Å; F1645-I1665 HydrophobicContact CE2-CB 4.16Å; F1645-I1665 HydrophobicContact CE2-CG2 4.01Å; L1661-I1665 HydrophobicContact CD1-CD1 4.12Å; L1661-I1665 HydrophobicContact CG-CD1 4.2Å; L1661-I1665 VanDerWaalsContact O-CD1 3.24Å; L1661-I1665 WeakPolarHBondContact O-CD1 3.45Å; L1661-I1665 VanDerWaalsContact O-CG1 3.26Å; L1661-I1665 WeakPolarHBondContact O-CG1 3.5Å; L1661-I1665 PolarHBondContact O-N 3.14Å; G1662-I1665 PolarHBondContact O-N 3.35Å; D1663-I1665 VanDerWaalsContact C-N 3.29Å; D1663-I1665 PolarHBondContact O-N 3.46Å; I1665-A1669 VanDerWaalsContact O-CB 3.23Å; I1665-A1669 WeakPolarHBondContact O-CB 3.44Å; I1665-A1669 PolarHBondContact O-N 3.08Å |
| 1666 | V | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 14.2 Ų | 14.2 | 6% | 0.055 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | G1504 P1506 F1645 G1662 D1663 A1669 R1670 | G1504-V1666 WeakPolarHBondContact O-CG1 3.4Å; P1506-V1666 HydrophobicContact CB-CG1 3.94Å; F1645-V1666 HydrophobicContact CE2-CG2 3.81Å; F1645-V1666 HydrophobicContact CZ-CG2 3.53Å; G1662-V1666 PolarHBondContact O-N 3.01Å; G1662-V1666 VanDerWaalsContact O-N 3.12Å; D1663-V1666 PolarHBondContact O-N 3.31Å; V1666-A1669 PolarHBondContact O-N 3.16Å; V1666-R1670 VanDerWaalsContact O-CB 3.26Å; V1666-R1670 WeakPolarHBondContact O-CB 3.36Å; V1666-R1670 PolarHBondContact O-N 3.17Å |
| 1667 | H | 93.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 15.4 Ų | 15.4 | 23% | 0.227 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 178.6 | -85.6 | -140.4 | 0 | 0 | 0 | 112.1 | P1584 D1663 A1669 R1670 E1671 | P1584-H1667 HydrophobicContact CB-CB 4.2Å; P1584-H1667 HydrophobicContact CG-CB 4.3Å; D1663-H1667 WeakPolarHBondContact O-CB 3.38Å; D1663-H1667 PolarHBondContact O-N 3.39Å; H1667-A1669 PolarHBondContact O-N 3.26Å; H1667-R1670 PolarHBondContact O-N 3.45Å; H1667-E1671 WeakPolarHBondContact O-CB 3.46Å; H1667-E1671 PolarHBondContact O-N 3.07Å |
| 1668 | K | 94 | Very high | 93.6 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -37 | 177.5 | 178.5 | 56.5 | 73.1 | -174.1 | 0 | 111.9 | E299 V1533 Y1537 Y1539 S1664 E1671 I1672 | E299-K1668 VanDerWaalsContact OE1-CE 3.29Å; E299-K1668 WeakPolarHBondContact OE1-CE 3.34Å; E299-K1668 IonicContact OE1-NZ 3.38Å; E299-K1668 PolarHBondContact OE1-NZ 2.82Å; E299-K1668 IonicContact OE2-NZ 3.84Å; E299-K1668 PolarHBondContact OE2-NZ 3.25Å; V1533-K1668 HydrophobicContact CG1-CB 4.01Å; V1533-K1668 HydrophobicContact CG1-CG 3.82Å; Y1537-K1668 HydrophobicContact CD2-CD 4.23Å; Y1537-K1668 HydrophobicContact CD2-CG 3.78Å; Y1537-K1668 HydrophobicContact CE1-CD 4.05Å; Y1537-K1668 HydrophobicContact CE2-CD 3.66Å; Y1537-K1668 HydrophobicContact CE2-CG 3.63Å; Y1537-K1668 HydrophobicContact CG-CG 4.32Å; Y1539-K1668 HydrophobicContact CE2-CB 3.95Å; Y1539-K1668 HydrophobicContact CE2-CG 4.3Å; S1664-K1668 WeakPolarHBondContact O-CB 3.38Å; S1664-K1668 PolarHBondContact O-N 3.4Å; K1668-E1671 WeakPolarHBondContact CD-OE2 3.42Å; K1668-E1671 WeakPolarHBondContact CE-OE2 3.41Å; K1668-E1671 IonicContact NZ-OE1 3.7Å; K1668-E1671 PolarHBondContact NZ-OE1 3.13Å; K1668-E1671 VanDerWaalsContact NZ-OE1 3.11Å; K1668-E1671 IonicContact NZ-OE2 3.22Å; K1668-E1671 PolarHBondContact NZ-OE2 3.38Å; K1668-E1671 PolarHBondContact O-N 2.61Å; K1668-I1672 HydrophobicContact CD-CD1 4.13Å; K1668-I1672 HydrophobicContact CD-CG1 4.29Å; K1668-I1672 HydrophobicContact CG-CD1 4.08Å; K1668-I1672 VanDerWaalsContact O-CD1 3.29Å; K1668-I1672 WeakPolarHBondContact O-CD1 3.29Å; K1668-I1672 WeakPolarHBondContact O-CG1 3.39Å; K1668-I1672 PolarHBondContact O-N 3.23Å |
| 1669 | A | 94 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1529 Y1530 V1533 I1665 V1666 H1667 I1672 L1673 | L1529-A1669 HydrophobicContact CD2-CB 3.93Å; L1529-A1669 HydrophobicContact CG-CB 4Å; Y1530-A1669 HydrophobicContact CD1-CB 3.61Å; Y1530-A1669 HydrophobicContact CE1-CB 3.53Å; V1533-A1669 HydrophobicContact CG2-CB 4.28Å; I1665-A1669 VanDerWaalsContact O-CB 3.23Å; I1665-A1669 WeakPolarHBondContact O-CB 3.44Å; I1665-A1669 PolarHBondContact O-N 3.08Å; V1666-A1669 PolarHBondContact O-N 3.16Å; H1667-A1669 PolarHBondContact O-N 3.26Å; A1669-I1672 PolarHBondContact O-N 2.88Å; A1669-L1673 PolarHBondContact O-N 3.37Å; A1669-L1673 VanDerWaalsContact O-N 3.17Å |
| 1670 | R | 93.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 23.3 Ų | 23.3 | 31% | 0.313 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.1 | 165.8 | 168.4 | -173.6 | 142.7 | 10.3 | 112.1 | I1505 L1507 V1666 H1667 I1672 L1673 E1674 | I1505-R1670 PolarHBondContact O-NH1 3.31Å; L1507-R1670 HydrophobicContact CB-CG 4.02Å; V1666-R1670 VanDerWaalsContact O-CB 3.26Å; V1666-R1670 WeakPolarHBondContact O-CB 3.36Å; V1666-R1670 PolarHBondContact O-N 3.17Å; H1667-R1670 PolarHBondContact O-N 3.45Å; R1670-I1672 VanDerWaalsContact C-N 3.32Å; R1670-I1672 PolarHBondContact O-N 2.96Å; R1670-L1673 CarbonylContact O-C 3.59Å; R1670-L1673 WeakPolarHBondContact O-CA 3.41Å; R1670-L1673 WeakPolarHBondContact O-CB 3.11Å; R1670-L1673 PolarHBondContact O-N 2.8Å; R1670-E1674 HydrophobicContact CG-CG 4.33Å; R1670-E1674 IonicContact CZ-OE1 3.6Å; R1670-E1674 IonicContact NE-OE1 2.77Å; R1670-E1674 PolarHBondContact NE-OE1 3.49Å; R1670-E1674 IonicContact NE-OE2 3.85Å; R1670-E1674 IonicContact NH2-OE1 2.77Å; R1670-E1674 PolarHBondContact NH2-OE1 3.41Å; R1670-E1674 WeakPolarHBondContact O-CG 3.33Å; R1670-E1674 PolarHBondContact O-N 2.91Å |
| 1671 | E | 91.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 176.9 | 177.7 | -169.8 | -169.2 | 0 | 0 | 111.9 | S296 P1584 H1667 K1668 L1673 E1674 N1675 | S296-E1671 WeakPolarHBondContact CB-OE1 3.33Å; S296-E1671 PolarHBondContact OG-OE1 3.44Å; P1584-E1671 WeakPolarHBondContact CG-OE2 3.43Å; H1667-E1671 WeakPolarHBondContact O-CB 3.46Å; H1667-E1671 PolarHBondContact O-N 3.07Å; K1668-E1671 WeakPolarHBondContact CD-OE2 3.42Å; K1668-E1671 WeakPolarHBondContact CE-OE2 3.41Å; K1668-E1671 IonicContact NZ-OE1 3.7Å; K1668-E1671 PolarHBondContact NZ-OE1 3.13Å; K1668-E1671 VanDerWaalsContact NZ-OE1 3.11Å; K1668-E1671 IonicContact NZ-OE2 3.22Å; K1668-E1671 PolarHBondContact NZ-OE2 3.38Å; K1668-E1671 PolarHBondContact O-N 2.61Å; E1671-L1673 VanDerWaalsContact C-N 3.29Å; E1671-L1673 PolarHBondContact O-N 3.26Å; E1671-E1674 PolarHBondContact O-N 2.85Å; E1671-N1675 WeakPolarHBondContact O-CB 3.33Å; E1671-N1675 PolarHBondContact O-N 2.91Å; E1671-N1675 PolarHBondContact O-ND2 3.15Å; E1671-N1675 PolarHBondContact O-OD1 3.47Å |
| 1672 | I | 92.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 173.7 | -70.9 | 160.9 | 0 | 0 | 0 | 111.3 | F1526 L1529 V1533 Y1537 K1668 A1669 R1670 A1676 I1738 | F1526-I1672 HydrophobicContact CE1-CG2 4Å; F1526-I1672 HydrophobicContact CE2-CG2 4.03Å; F1526-I1672 HydrophobicContact CZ-CG2 3.57Å; L1529-I1672 HydrophobicContact CD1-CG2 4.32Å; V1533-I1672 HydrophobicContact CG2-CD1 3.6Å; Y1537-I1672 HydrophobicContact CE2-CD1 4.34Å; K1668-I1672 HydrophobicContact CD-CD1 4.13Å; K1668-I1672 HydrophobicContact CD-CG1 4.29Å; K1668-I1672 HydrophobicContact CG-CD1 4.08Å; K1668-I1672 VanDerWaalsContact O-CD1 3.29Å; K1668-I1672 WeakPolarHBondContact O-CD1 3.29Å; K1668-I1672 WeakPolarHBondContact O-CG1 3.39Å; K1668-I1672 PolarHBondContact O-N 3.23Å; A1669-I1672 PolarHBondContact O-N 2.88Å; R1670-I1672 VanDerWaalsContact C-N 3.32Å; R1670-I1672 PolarHBondContact O-N 2.96Å; I1672-A1676 WeakPolarHBondContact O-CB 3.46Å; I1672-A1676 PolarHBondContact O-N 3.09Å; I1672-I1738 HydrophobicContact CD1-CD1 3.65Å; I1672-I1738 HydrophobicContact CG2-CG2 4.29Å |
| 1673 | L | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.3 | -43 | 176.8 | -174.3 | 58 | 0 | 0 | 0 | 111.7 | L1507 F1526 A1669 R1670 E1671 A1676 I1677 L1707 | L1507-L1673 HydrophobicContact CB-CD2 4.18Å; L1507-L1673 HydrophobicContact CD2-CD2 4.13Å; L1507-L1673 HydrophobicContact CD2-CG 4.21Å; L1507-L1673 HydrophobicContact CG-CD2 4.25Å; F1526-L1673 HydrophobicContact CE2-CD1 4.34Å; A1669-L1673 PolarHBondContact O-N 3.37Å; A1669-L1673 VanDerWaalsContact O-N 3.17Å; R1670-L1673 CarbonylContact O-C 3.59Å; R1670-L1673 WeakPolarHBondContact O-CA 3.41Å; R1670-L1673 WeakPolarHBondContact O-CB 3.11Å; R1670-L1673 PolarHBondContact O-N 2.8Å; E1671-L1673 VanDerWaalsContact C-N 3.29Å; E1671-L1673 PolarHBondContact O-N 3.26Å; L1673-A1676 PolarHBondContact O-N 3.12Å; L1673-I1677 HydrophobicContact CD1-CD1 4.36Å; L1673-I1677 HydrophobicContact CG-CD1 3.98Å; L1673-I1677 VanDerWaalsContact O-CD1 3.31Å; L1673-I1677 WeakPolarHBondContact O-CD1 3.5Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.43Å; L1673-I1677 PolarHBondContact O-N 3.04Å; L1673-L1707 HydrophobicContact CD1-CD1 3.48Å; L1673-L1707 VanDerWaalsContact CD1-CD1 3.48Å; L1673-L1707 HydrophobicContact CD1-CD2 4.19Å; L1673-L1707 HydrophobicContact CD1-CG 3.6Å |
| 1674 | E | 92.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | 176.6 | -71.4 | 173.4 | 157.7 | 0 | 0 | 111.4 | L1507 R1670 E1671 A1676 I1677 E1678 | L1507-E1674 HydrophobicContact CD2-CG 3.48Å; L1507-E1674 VanDerWaalsContact CD2-CG 3.48Å; R1670-E1674 HydrophobicContact CG-CG 4.33Å; R1670-E1674 IonicContact CZ-OE1 3.6Å; R1670-E1674 IonicContact NE-OE1 2.77Å; R1670-E1674 PolarHBondContact NE-OE1 3.49Å; R1670-E1674 IonicContact NE-OE2 3.85Å; R1670-E1674 IonicContact NH2-OE1 2.77Å; R1670-E1674 PolarHBondContact NH2-OE1 3.41Å; R1670-E1674 WeakPolarHBondContact O-CG 3.33Å; R1670-E1674 PolarHBondContact O-N 2.91Å; E1671-E1674 PolarHBondContact O-N 2.85Å; E1674-A1676 PolarHBondContact O-N 2.91Å; E1674-I1677 PolarHBondContact O-N 2.79Å; E1674-E1678 PolarHBondContact O-N 3.35Å |
| 1675 | N | 92.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 173.8 | -69.5 | -8.8 | 0 | 0 | 0 | 112.3 | E1671 E1678 L1679 M1733 | E1671-N1675 WeakPolarHBondContact O-CB 3.33Å; E1671-N1675 PolarHBondContact O-N 2.91Å; E1671-N1675 PolarHBondContact O-ND2 3.15Å; E1671-N1675 PolarHBondContact O-OD1 3.47Å; N1675-E1678 PolarHBondContact O-N 3.18Å; N1675-L1679 WeakPolarHBondContact O-CB 3.46Å; N1675-L1679 PolarHBondContact O-N 3.05Å; N1675-M1733 HydrophobicContact CB-CE 3.99Å; N1675-M1733 HydrophobicContact CB-SD 4.43Å |
| 1676 | A | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1526 I1672 L1673 E1674 V1680 L1707 V1730 | F1526-A1676 HydrophobicContact CZ-CB 4.34Å; I1672-A1676 WeakPolarHBondContact O-CB 3.46Å; I1672-A1676 PolarHBondContact O-N 3.09Å; L1673-A1676 PolarHBondContact O-N 3.12Å; E1674-A1676 PolarHBondContact O-N 2.91Å; A1676-V1680 WeakPolarHBondContact O-CG2 3.32Å; A1676-V1680 PolarHBondContact O-N 3.46Å; A1676-V1680 VanDerWaalsContact O-N 3.11Å; A1676-L1707 HydrophobicContact CB-CD2 3.94Å; A1676-V1730 HydrophobicContact CB-CG1 3.58Å; A1676-V1730 HydrophobicContact CB-CG2 4.31Å |
| 1677 | I | 93.8 | Very high | 92 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.5 | -67.6 | 157.4 | 0 | 0 | 0 | 110.8 | L1507 L1509 L1673 E1674 N1681 V1699 L1707 | L1507-I1677 HydrophobicContact CD2-CD1 3.92Å; L1509-I1677 HydrophobicContact CD1-CD1 3.8Å; L1509-I1677 HydrophobicContact CD1-CG1 4.43Å; L1509-I1677 HydrophobicContact CD2-CD1 4.28Å; L1509-I1677 HydrophobicContact CG-CD1 4.29Å; L1673-I1677 HydrophobicContact CD1-CD1 4.36Å; L1673-I1677 HydrophobicContact CG-CD1 3.98Å; L1673-I1677 VanDerWaalsContact O-CD1 3.31Å; L1673-I1677 WeakPolarHBondContact O-CD1 3.5Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.43Å; L1673-I1677 PolarHBondContact O-N 3.04Å; E1674-I1677 PolarHBondContact O-N 2.79Å; I1677-N1681 WeakPolarHBondContact CG2-ND2 3.33Å; I1677-N1681 WeakPolarHBondContact O-CB 3.14Å; I1677-N1681 VanDerWaalsContact O-CG 3.32Å; I1677-N1681 PolarHBondContact O-N 3.17Å; I1677-N1681 PolarHBondContact O-ND2 2.91Å; I1677-V1699 HydrophobicContact CB-CG2 4.5Å; I1677-V1699 HydrophobicContact CG1-CG1 4.33Å; I1677-V1699 HydrophobicContact CG1-CG2 4.39Å; I1677-V1699 HydrophobicContact CG2-CB 4.36Å; I1677-V1699 HydrophobicContact CG2-CG2 4.28Å; I1677-L1707 HydrophobicContact CG1-CD2 3.96Å |
| 1678 | E | 93.4 | Very high | 91.7 | Very high | 128 Ų | 128 | 45.5 Ų | 45.5 | 60% | 0.598 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.3 | -47.6 | 176.2 | -169.1 | -177.4 | 150.1 | 0 | 0 | 111.2 | E1674 N1675 V1680 N1681 S1682 | E1674-E1678 PolarHBondContact O-N 3.35Å; N1675-E1678 PolarHBondContact O-N 3.18Å; E1678-V1680 VanDerWaalsContact C-N 3.35Å; E1678-V1680 PolarHBondContact O-N 3.1Å; E1678-N1681 PolarHBondContact O-N 3.21Å; E1678-S1682 WeakPolarHBondContact O-CB 3.48Å; E1678-S1682 PolarHBondContact O-N 2.89Å; E1678-S1682 PolarHBondContact O-OG 3.07Å |
| 1679 | L | 93.5 | Very high | 91.1 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | -179.3 | -177.9 | 59.1 | 0 | 0 | 0 | 111.8 | N1675 S1682 I1685 V1730 M1733 | N1675-L1679 WeakPolarHBondContact O-CB 3.46Å; N1675-L1679 PolarHBondContact O-N 3.05Å; L1679-S1682 PolarHBondContact O-OG 3.11Å; L1679-I1685 HydrophobicContact CD1-CG1 4.32Å; L1679-I1685 HydrophobicContact CG-CD1 4.2Å; L1679-I1685 HydrophobicContact CG-CG1 4.12Å; L1679-V1730 HydrophobicContact CD2-CG2 4.13Å; L1679-M1733 HydrophobicContact CD2-SD 4.18Å |
| 1680 | V | 94.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | A1676 E1678 S1682 I1685 P1697 V1699 V1709 I1726 V1730 | A1676-V1680 WeakPolarHBondContact O-CG2 3.32Å; A1676-V1680 PolarHBondContact O-N 3.46Å; A1676-V1680 VanDerWaalsContact O-N 3.11Å; E1678-V1680 VanDerWaalsContact C-N 3.35Å; E1678-V1680 PolarHBondContact O-N 3.1Å; V1680-S1682 PolarHBondContact O-N 3.41Å; V1680-I1685 HydrophobicContact CG2-CD1 4.05Å; V1680-P1697 HydrophobicContact CG1-CB 4.19Å; V1680-V1699 HydrophobicContact CB-CG2 3.99Å; V1680-V1699 HydrophobicContact CG1-CG2 3.8Å; V1680-V1709 HydrophobicContact CG1-CG1 3.9Å; V1680-V1709 HydrophobicContact CG1-CG2 4.28Å; V1680-I1726 HydrophobicContact CG2-CG2 3.58Å; V1680-V1730 HydrophobicContact CG2-CG2 4.43Å |
| 1681 | N | 94.3 | Very high | 89.9 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.4 | -18.3 | -176.2 | -70.7 | -28.9 | 0 | 0 | 0 | 113.5 | I1677 E1678 G1683 R1698 V1699 | I1677-N1681 WeakPolarHBondContact CG2-ND2 3.33Å; I1677-N1681 WeakPolarHBondContact O-CB 3.14Å; I1677-N1681 VanDerWaalsContact O-CG 3.32Å; I1677-N1681 PolarHBondContact O-N 3.17Å; I1677-N1681 PolarHBondContact O-ND2 2.91Å; E1678-N1681 PolarHBondContact O-N 3.21Å; N1681-G1683 VanDerWaalsContact C-N 3.28Å; N1681-G1683 PolarHBondContact O-N 3.06Å; N1681-R1698 WeakPolarHBondContact OD1-CA 3.27Å; N1681-V1699 PolarHBondContact OD1-N 3.46Å |
| 1682 | S | 92.4 | Very high | 89.2 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.9 | -178.5 | 73 | 0 | 0 | 0 | 0 | 114.8 | E1678 L1679 V1680 K1684 | E1678-S1682 WeakPolarHBondContact O-CB 3.48Å; E1678-S1682 PolarHBondContact O-N 2.89Å; E1678-S1682 PolarHBondContact O-OG 3.07Å; L1679-S1682 PolarHBondContact O-OG 3.11Å; V1680-S1682 PolarHBondContact O-N 3.41Å; S1682-K1684 PolarHBondContact O-N 3.15Å; S1682-K1684 WeakPolarHBondContact OG-CB 3.46Å; S1682-K1684 WeakPolarHBondContact OG-CD 3.49Å; S1682-K1684 VanDerWaalsContact OG-CG 3.31Å; S1682-K1684 WeakPolarHBondContact OG-CG 3.18Å; S1682-K1684 PolarHBondContact OG-N 3.11Å |
| 1683 | G | 86 | Confident | 88.4 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 5.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1681 I1685 | N1681-G1683 VanDerWaalsContact C-N 3.28Å; N1681-G1683 PolarHBondContact O-N 3.06Å; G1683-I1685 VanDerWaalsContact C-N 3.27Å; G1683-I1685 PolarHBondContact O-N 3.34Å |
| 1684 | K | 87.9 | Confident | 87.8 | Confident | 154 Ų | 154 | 58.5 Ų | 58.5 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | trans | -72.5 | -15 | 179.3 | -64.6 | 170.9 | -174.6 | 168.3 | 0 | 113.9 | S1682 V1686 | S1682-K1684 PolarHBondContact O-N 3.15Å; S1682-K1684 WeakPolarHBondContact OG-CB 3.46Å; S1682-K1684 WeakPolarHBondContact OG-CD 3.49Å; S1682-K1684 VanDerWaalsContact OG-CG 3.31Å; S1682-K1684 WeakPolarHBondContact OG-CG 3.18Å; S1682-K1684 PolarHBondContact OG-N 3.11Å; K1684-V1686 PolarHBondContact O-N 3.16Å | ||
| 1685 | I | 88.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -71.9 | 114.5 | -179.8 | -59.5 | 178.1 | 0 | 0 | 0 | 109.1 | L1679 V1680 G1683 L1687 Q1725 I1726 E1729 | L1679-I1685 HydrophobicContact CD1-CG1 4.32Å; L1679-I1685 HydrophobicContact CG-CD1 4.2Å; L1679-I1685 HydrophobicContact CG-CG1 4.12Å; V1680-I1685 HydrophobicContact CG2-CD1 4.05Å; G1683-I1685 VanDerWaalsContact C-N 3.27Å; G1683-I1685 PolarHBondContact O-N 3.34Å; I1685-L1687 HydrophobicContact CG2-CD2 4.16Å; I1685-L1687 PolarHBondContact O-N 3.37Å; I1685-Q1725 HydrophobicContact CG2-CG 4.4Å; I1685-I1726 HydrophobicContact CD1-CB 4.4Å; I1685-I1726 HydrophobicContact CD1-CG1 3.96Å; I1685-I1726 HydrophobicContact CD1-CG2 4.21Å; I1685-I1726 HydrophobicContact CG2-CG1 4.37Å; I1685-E1729 HydrophobicContact CG2-CG 4.24Å |
| 1686 | V | 88.9 | Confident | 87.3 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | trans | -67.5 | 115.1 | 169.1 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | K1684 Q1725 | K1684-V1686 PolarHBondContact O-N 3.16Å; V1686-Q1725 WeakPolarHBondContact O-CG 3.5Å; V1686-Q1725 PolarHBondContact O-NE2 3.19Å | ||
| 1687 | L | 88.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | trans | -87.5 | 160.7 | 177 | -64.3 | 176.9 | 0 | 0 | 0 | 111.3 | I1685 C1691 P1697 Y1714 A1722 I1726 | I1685-L1687 HydrophobicContact CG2-CD2 4.16Å; I1685-L1687 PolarHBondContact O-N 3.37Å; L1687-C1691 HydrophobicContact CB-CB 3.95Å; L1687-C1691 HydrophobicContact CD1-CB 4.21Å; L1687-P1697 HydrophobicContact CD1-CG 4.11Å; L1687-P1697 HydrophobicContact CD2-CG 4.5Å; L1687-Y1714 VanDerWaalsContact CD1-OH 3.31Å; L1687-Y1714 WeakPolarHBondContact CD1-OH 3.49Å; L1687-A1722 HydrophobicContact CD2-CB 4.14Å; L1687-I1726 HydrophobicContact CD2-CG1 4.5Å | ||
| 1688 | P | 87.5 | Confident | 87.4 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | trans | -65.4 | 157.9 | 175.6 | -22.1 | 37 | 0 | 0 | 0 | 112.8 | T1690 C1691 D1721 Q1725 | P1688-T1690 PolarHBondContact O-N 3.16Å; P1688-T1690 VanDerWaalsContact O-N 3.1Å; P1688-C1691 WeakPolarHBondContact O-CB 3.38Å; P1688-C1691 PolarHBondContact O-N 2.96Å; P1688-D1721 HydrophobicContact CG-CB 4.19Å; P1688-Q1725 HydrophobicContact CG-CB 4.11Å; P1688-Q1725 HydrophobicContact CG-CG 4.41Å | ||
| 1689 | D | 82.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 60.1 Ų | 60.1 | 73% | 0.733 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -61 | -24.3 | -176.7 | -72 | -55.6 | 0 | 0 | 0 | 114.2 | C1691 N1692 | D1689-C1691 PolarHBondContact O-N 3.4Å; D1689-N1692 WeakPolarHBondContact CA-ND2 3.37Å; D1689-N1692 WeakPolarHBondContact O-CB 3.34Å; D1689-N1692 PolarHBondContact O-N 3.13Å; D1689-N1692 PolarHBondContact O-ND2 3.1Å; D1689-N1692 PolarHBondContact OD1-ND2 2.85Å |
| 1690 | T | 79.3 | Confident | 87.6 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -60.2 | -27.4 | 172.1 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | P1688 D1721 | P1688-T1690 PolarHBondContact O-N 3.16Å; P1688-T1690 VanDerWaalsContact O-N 3.1Å; T1690-D1721 WeakPolarHBondContact CB-OD2 3.3Å; T1690-D1721 PolarHBondContact OG1-OD2 3.23Å |
| 1691 | C | 81.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -92.7 | -3.1 | 179.3 | -52.5 | 0 | 0 | 0 | 0 | 114.1 | L1687 P1688 D1689 G1693 L1694 Y1714 E1718 | L1687-C1691 HydrophobicContact CB-CB 3.95Å; L1687-C1691 HydrophobicContact CD1-CB 4.21Å; P1688-C1691 WeakPolarHBondContact O-CB 3.38Å; P1688-C1691 PolarHBondContact O-N 2.96Å; D1689-C1691 PolarHBondContact O-N 3.4Å; C1691-G1693 PolarHBondContact O-N 3.47Å; C1691-L1694 HydrophobicContact CB-CD1 4.43Å; C1691-L1694 WeakPolarHBondContact O-CB 3.46Å; C1691-L1694 WeakPolarHBondContact O-CG 3.47Å; C1691-L1694 PolarHBondContact O-N 3.1Å; C1691-L1694 VanDerWaalsContact O-N 3.14Å; C1691-Y1714 HydrophobicContact CB-CE1 3.95Å; C1691-E1718 PolarHBondContact SG-O 3.22Å |
| 1692 | N | 78.5 | Confident | 87.4 | Confident | 83 Ų | 83 | 55 Ų | 55 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.1 | -173.2 | -86.6 | -31.2 | 0 | 0 | 0 | 112.4 | D1689 R1814 | D1689-N1692 WeakPolarHBondContact CA-ND2 3.37Å; D1689-N1692 WeakPolarHBondContact O-CB 3.34Å; D1689-N1692 PolarHBondContact O-N 3.13Å; D1689-N1692 PolarHBondContact O-ND2 3.1Å; D1689-N1692 PolarHBondContact OD1-ND2 2.85Å; N1692-R1814 PolarHBondContact O-NH1 2.92Å; N1692-R1814 PolarHBondContact O-NH2 3.35Å |
| 1693 | G | 75.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 53 Ų | 53 | 66% | 0.66 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 4.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1691 | C1691-G1693 PolarHBondContact O-N 3.47Š|
| 1694 | L | 80.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -84.4 | 162.1 | 170.8 | -60.8 | 178.9 | 0 | 0 | 0 | 111.8 | C1691 Y1714 L1809 | C1691-L1694 HydrophobicContact CB-CD1 4.43Å; C1691-L1694 WeakPolarHBondContact O-CB 3.46Å; C1691-L1694 WeakPolarHBondContact O-CG 3.47Å; C1691-L1694 PolarHBondContact O-N 3.1Å; C1691-L1694 VanDerWaalsContact O-N 3.14Å; L1694-Y1714 HydrophobicContact CB-CD2 4.16Å; L1694-Y1714 HydrophobicContact CB-CE1 4.29Å; L1694-Y1714 HydrophobicContact CB-CE2 3.6Å; L1694-Y1714 HydrophobicContact CD1-CD1 3.57Å; L1694-Y1714 HydrophobicContact CD1-CD2 3.88Å; L1694-Y1714 HydrophobicContact CD1-CE1 3.72Å; L1694-Y1714 HydrophobicContact CD1-CE2 4.03Å; L1694-Y1714 HydrophobicContact CD1-CG 3.65Å; L1694-Y1714 HydrophobicContact CG-CE2 4.44Å; L1694-L1809 HydrophobicContact CD2-CB 4.4Å |
| 1695 | P | 85 | Confident | 87.1 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 153.3 | 175.2 | -25.1 | 35.5 | 0 | 0 | 0 | 113.6 | K1712 Y1714 | P1695-K1712 HydrophobicContact CB-CB 4.45Å; P1695-K1712 WeakPolarHBondContact CD-O 3.39Å; P1695-K1712 HydrophobicContact CG-CB 4.38Å; P1695-K1712 WeakPolarHBondContact CG-O 3.48Å; P1695-Y1714 WeakPolarHBondContact O-CE2 3.31Å; P1695-Y1714 PolarHBondContact O-OH 2.75Å |
| 1696 | T | 89.4 | Confident | 87.3 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 63% | 0.632 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -65 | 135 | 173.9 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1697 | P | 94 | Very high | 87.6 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 146.3 | 172.8 | -26.2 | 35.3 | 0 | 0 | 0 | 112.7 | V1680 L1687 V1709 L1711 I1726 | V1680-P1697 HydrophobicContact CG1-CB 4.19Å; L1687-P1697 HydrophobicContact CD1-CG 4.11Å; L1687-P1697 HydrophobicContact CD2-CG 4.5Å; P1697-V1709 HydrophobicContact CB-CG1 3.62Å; P1697-L1711 HydrophobicContact CB-CD2 3.71Å; P1697-L1711 HydrophobicContact CG-CD2 3.73Å; P1697-I1726 HydrophobicContact CB-CD1 4.01Å; P1697-I1726 HydrophobicContact CG-CD1 4.03Å |
| 1698 | R | 94.7 | Very high | 88 | Confident | 139 Ų | 139 | 37.6 Ų | 37.6 | 53% | 0.525 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.1 | 178.8 | 175.8 | -176.9 | 173.8 | 114.5 | -5 | 111.3 | E1512 N1681 V1700 V1709 H1710 | E1512-R1698 IonicContact OE1-CZ 3.6Å; E1512-R1698 VanDerWaalsContact OE1-CZ 3.28Å; E1512-R1698 IonicContact OE1-NE 2.8Å; E1512-R1698 PolarHBondContact OE1-NE 2.92Å; E1512-R1698 IonicContact OE1-NH2 3.68Å; E1512-R1698 PolarHBondContact OE1-NH2 3Å; N1681-R1698 WeakPolarHBondContact OD1-CA 3.27Å; R1698-V1700 HydrophobicContact CG-CG1 4.42Å; R1698-V1709 CarbonylContact O-C 3.59Å; R1698-V1709 WeakPolarHBondContact O-CA 3.44Å; R1698-H1710 PolarHBondContact N-O 3.06Å; R1698-H1710 PolarHBondContact O-N 2.95Å |
| 1699 | V | 95.7 | Very high | 88.5 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.6 | 170.1 | -171.3 | 0 | 0 | 0 | 0 | 110 | L1509 I1677 V1680 N1681 Y1701 L1707 F1708 V1709 | L1509-V1699 HydrophobicContact CD1-CG1 4.01Å; I1677-V1699 HydrophobicContact CB-CG2 4.5Å; I1677-V1699 HydrophobicContact CG1-CG1 4.33Å; I1677-V1699 HydrophobicContact CG1-CG2 4.39Å; I1677-V1699 HydrophobicContact CG2-CB 4.36Å; I1677-V1699 HydrophobicContact CG2-CG2 4.28Å; V1680-V1699 HydrophobicContact CB-CG2 3.99Å; V1680-V1699 HydrophobicContact CG1-CG2 3.8Å; N1681-V1699 PolarHBondContact OD1-N 3.46Å; V1699-Y1701 VanDerWaalsContact CG1-O 3.27Å; V1699-Y1701 WeakPolarHBondContact CG1-O 3.37Å; V1699-L1707 HydrophobicContact CG2-CD2 4.25Å; V1699-F1708 WeakPolarHBondContact CA-O 3.35Å; V1699-V1709 HydrophobicContact CG2-CG2 4.45Å |
| 1700 | V | 94.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -15 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 114 | P1511 E1512 F1516 I1521 R1698 F1708 H1710 L1751 | P1511-V1700 WeakPolarHBondContact CA-O 3.25Å; E1512-V1700 HydrophobicContact CB-CB 4.44Å; E1512-V1700 PolarHBondContact N-O 2.88Å; E1512-V1700 VanDerWaalsContact N-O 3.09Å; F1516-V1700 HydrophobicContact CE1-CB 4.36Å; F1516-V1700 HydrophobicContact CE1-CG1 4.02Å; F1516-V1700 HydrophobicContact CE1-CG2 4.34Å; F1516-V1700 HydrophobicContact CZ-CB 4Å; F1516-V1700 HydrophobicContact CZ-CG1 4.12Å; F1516-V1700 HydrophobicContact CZ-CG2 4.06Å; I1521-V1700 HydrophobicContact CD1-CG2 4.24Å; R1698-V1700 HydrophobicContact CG-CG1 4.42Å; V1700-F1708 HydrophobicContact CG2-CB 4.27Å; V1700-F1708 WeakPolarHBondContact CG2-O 3.44Å; V1700-F1708 PolarHBondContact N-O 3Å; V1700-H1710 HydrophobicContact CG1-CB 3.67Å; V1700-H1710 HydrophobicContact CG2-CB 4.14Å; V1700-L1751 HydrophobicContact CG2-CD1 4.37Å |
| 1701 | Y | 95.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 164.3 | 170.6 | -179.6 | -121.6 | 0 | 0 | 0 | 109.7 | L1509 P1511 V1699 D1703 F1708 K1754 K1755 Y1757 | L1509-Y1701 WeakPolarHBondContact O-CE2 3.36Å; P1511-Y1701 HydrophobicContact CB-CD2 3.51Å; P1511-Y1701 HydrophobicContact CB-CE2 4.16Å; P1511-Y1701 HydrophobicContact CB-CG 3.97Å; P1511-Y1701 HydrophobicContact CG-CD2 3.99Å; P1511-Y1701 HydrophobicContact CG-CE2 4.14Å; V1699-Y1701 VanDerWaalsContact CG1-O 3.27Å; V1699-Y1701 WeakPolarHBondContact CG1-O 3.37Å; Y1701-D1703 HydrophobicContact CE1-CB 3.7Å; Y1701-D1703 PolarHBondContact OH-OD2 2.94Å; Y1701-F1708 HydrophobicContact CD1-CD1 4.25Å; Y1701-F1708 AromaticContact CD1-CD2 3.78Å; Y1701-F1708 HydrophobicContact CD1-CD2 3.78Å; Y1701-F1708 HydrophobicContact CD1-CE1 4.3Å; Y1701-F1708 AromaticContact CD1-CE2 3.87Å; Y1701-F1708 HydrophobicContact CD1-CE2 3.87Å; Y1701-F1708 HydrophobicContact CD1-CG 4.02Å; Y1701-F1708 HydrophobicContact CD1-CZ 4.15Å; Y1701-F1708 HydrophobicContact CE1-CE2 4.33Å; Y1701-F1708 WeakPolarHBondContact O-CB 3.44Å; Y1701-F1708 PolarHBondContact O-N 3.05Å; Y1701-K1754 HydrophobicContact CE2-CG 4.3Å; Y1701-K1755 PolarHBondContact OH-N 3.3Å; Y1701-Y1757 HydrophobicContact CE1-CD1 4.21Å; Y1701-Y1757 AromaticContact CE1-CE1 3.97Å; Y1701-Y1757 HydrophobicContact CE1-CE1 3.97Å |
| 1702 | G | 89.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 136 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1509 S1706 | L1509-G1702 PolarHBondContact N-O 3.41Å; G1702-S1706 CarbonylContact C-O 3.57Å; G1702-S1706 WeakPolarHBondContact CA-O 3.31Å |
| 1703 | D | 86.1 | Confident | 90.4 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 106.9 | -167.4 | -157.4 | -15.9 | 0 | 0 | 0 | 109.4 | N1508 Y1701 D1705 S1706 K1755 | N1508-D1703 PolarHBondContact OD1-OD1 3.26Å; Y1701-D1703 HydrophobicContact CE1-CB 3.7Å; Y1701-D1703 PolarHBondContact OH-OD2 2.94Å; D1703-D1705 PolarHBondContact O-N 2.75Å; D1703-S1706 WeakPolarHBondContact CB-OG 3.48Å; D1703-S1706 PolarHBondContact N-O 3.23Å; D1703-S1706 VanDerWaalsContact N-O 3.1Å; D1703-S1706 PolarHBondContact N-OG 3.15Å; D1703-S1706 PolarHBondContact O-N 2.79Å; D1703-S1706 PolarHBondContact O-OG 2.93Å; D1703-K1755 WeakPolarHBondContact OD1-CE 3.4Å; D1703-K1755 IonicContact OD1-NZ 3.22Å; D1703-K1755 PolarHBondContact OD1-NZ 2.87Å; D1703-K1755 WeakPolarHBondContact OD2-CG 3.46Å; D1703-K1755 IonicContact OD2-NZ 3.76Å; D1703-K1755 PolarHBondContact OD2-NZ 3.16Å |
| 1704 | T | 85.5 | Confident | 91.1 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 8% | 0.08 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | -54.8 | -173.8 | 51.9 | 0 | 0 | 0 | 0 | 118.3 | P1506 L1507 N1508 | P1506-T1704 HydrophobicContact CB-CG2 4.19Å; P1506-T1704 HydrophobicContact CG-CG2 4.48Å; L1507-T1704 PolarHBondContact O-N 3.24Å; N1508-T1704 VanDerWaalsContact OD1-CG2 3.28Å; N1508-T1704 WeakPolarHBondContact OD1-CG2 3.4Å; N1508-T1704 PolarHBondContact OD1-N 2.79Å |
| 1705 | D | 89.3 | Confident | 91.5 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -6.2 | -172 | 27.6 | 9 | 0 | 0 | 0 | 112.7 | F1526 L1529 D1703 | F1526-D1705 HydrophobicContact CB-CB 4.3Å; F1526-D1705 WeakPolarHBondContact CD2-O 3.41Å; F1526-D1705 PolarHBondContact N-O 3.43Å; L1529-D1705 HydrophobicContact CB-CB 3.96Å; L1529-D1705 HydrophobicContact CD2-CB 3.86Å; D1703-D1705 PolarHBondContact O-N 2.75Å |
| 1706 | S | 93.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 148.1 | 179.2 | 64 | 0 | 0 | 0 | 0 | 114 | L1524 G1702 D1703 | L1524-S1706 CarbonylContact O-C 3.58Å; L1524-S1706 VanDerWaalsContact O-CA 3.25Å; L1524-S1706 WeakPolarHBondContact O-CA 3.39Å; G1702-S1706 CarbonylContact C-O 3.57Å; G1702-S1706 WeakPolarHBondContact CA-O 3.31Å; D1703-S1706 WeakPolarHBondContact CB-OG 3.48Å; D1703-S1706 PolarHBondContact N-O 3.23Å; D1703-S1706 VanDerWaalsContact N-O 3.1Å; D1703-S1706 PolarHBondContact N-OG 3.15Å; D1703-S1706 PolarHBondContact O-N 2.79Å; D1703-S1706 PolarHBondContact O-OG 2.93Å |
| 1707 | L | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133 | 169.4 | -63.3 | 90.5 | 0 | 0 | 0 | 110.3 | L1524 F1526 L1673 A1676 I1677 V1699 V1709 L1740 | L1524-L1707 PolarHBondContact N-O 3.26Å; L1524-L1707 PolarHBondContact O-N 2.65Å; F1526-L1707 HydrophobicContact CD2-CD1 4.45Å; F1526-L1707 HydrophobicContact CE2-CD1 4Å; L1673-L1707 HydrophobicContact CD1-CD1 3.48Å; L1673-L1707 VanDerWaalsContact CD1-CD1 3.48Å; L1673-L1707 HydrophobicContact CD1-CD2 4.19Å; L1673-L1707 HydrophobicContact CD1-CG 3.6Å; A1676-L1707 HydrophobicContact CB-CD2 3.94Å; I1677-L1707 HydrophobicContact CG1-CD2 3.96Å; V1699-L1707 HydrophobicContact CG2-CD2 4.25Å; L1707-V1709 HydrophobicContact CB-CG2 4.46Å; L1707-L1740 HydrophobicContact CD1-CD1 3.93Å; L1707-L1740 HydrophobicContact CD1-CD2 4.3Å |
| 1708 | F | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106 | 175.1 | -75.9 | -127.1 | 0 | 0 | 0 | 108.4 | I1521 V1523 V1699 V1700 Y1701 Y1746 L1751 Y1757 | I1521-F1708 HydrophobicContact CG2-CB 3.86Å; I1521-F1708 HydrophobicContact CG2-CD1 4.09Å; I1521-F1708 HydrophobicContact CG2-CG 4.37Å; V1523-F1708 HydrophobicContact CG1-CD2 4.4Å; V1523-F1708 HydrophobicContact CG1-CE2 3.95Å; V1523-F1708 HydrophobicContact CG1-CZ 4.16Å; V1523-F1708 HydrophobicContact CG2-CD1 4.16Å; V1523-F1708 HydrophobicContact CG2-CE1 3.99Å; V1523-F1708 HydrophobicContact CG2-CE2 4.47Å; V1523-F1708 HydrophobicContact CG2-CG 4.48Å; V1523-F1708 HydrophobicContact CG2-CZ 4.12Å; V1699-F1708 WeakPolarHBondContact CA-O 3.35Å; V1700-F1708 HydrophobicContact CG2-CB 4.27Å; V1700-F1708 WeakPolarHBondContact CG2-O 3.44Å; V1700-F1708 PolarHBondContact N-O 3Å; Y1701-F1708 HydrophobicContact CD1-CD1 4.25Å; Y1701-F1708 AromaticContact CD1-CD2 3.78Å; Y1701-F1708 HydrophobicContact CD1-CD2 3.78Å; Y1701-F1708 HydrophobicContact CD1-CE1 4.3Å; Y1701-F1708 AromaticContact CD1-CE2 3.87Å; Y1701-F1708 HydrophobicContact CD1-CE2 3.87Å; Y1701-F1708 HydrophobicContact CD1-CG 4.02Å; Y1701-F1708 HydrophobicContact CD1-CZ 4.15Å; Y1701-F1708 HydrophobicContact CE1-CE2 4.33Å; Y1701-F1708 WeakPolarHBondContact O-CB 3.44Å; Y1701-F1708 PolarHBondContact O-N 3.05Å; F1708-Y1746 HydrophobicContact CE1-CD2 4.11Å; F1708-Y1746 AromaticContact CE1-CE2 3.76Å; F1708-Y1746 HydrophobicContact CE1-CE2 3.76Å; F1708-Y1746 HydrophobicContact CZ-CE2 4.24Å; F1708-L1751 HydrophobicContact CD1-CD2 4.38Å; F1708-L1751 HydrophobicContact CE1-CD2 4.45Å; F1708-Y1757 HydrophobicContact CE1-CD2 4.01Å; F1708-Y1757 AromaticContact CE1-CE2 3.88Å; F1708-Y1757 HydrophobicContact CE1-CE2 3.88Å; F1708-Y1757 HydrophobicContact CE1-CG 4.44Å; F1708-Y1757 HydrophobicContact CZ-CD2 4.16Å; F1708-Y1757 HydrophobicContact CZ-CE1 4.13Å; F1708-Y1757 AromaticContact CZ-CE2 3.57Å; F1708-Y1757 HydrophobicContact CZ-CE2 3.57Å; F1708-Y1757 AromaticContact CZ-CZ 3.54Å |
| 1709 | V | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.7 | -175.6 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | I1521 A1522 L1524 V1680 P1697 R1698 V1699 L1707 L1711 I1726 | I1521-V1709 CarbonylContact C-O 3.56Å; I1521-V1709 WeakPolarHBondContact CA-O 3.25Å; A1522-V1709 PolarHBondContact N-O 2.82Å; A1522-V1709 PolarHBondContact O-N 2.84Å; L1524-V1709 HydrophobicContact CD1-CG2 4.21Å; V1680-V1709 HydrophobicContact CG1-CG1 3.9Å; V1680-V1709 HydrophobicContact CG1-CG2 4.28Å; P1697-V1709 HydrophobicContact CB-CG1 3.62Å; R1698-V1709 CarbonylContact O-C 3.59Å; R1698-V1709 WeakPolarHBondContact O-CA 3.44Å; V1699-V1709 HydrophobicContact CG2-CG2 4.45Å; L1707-V1709 HydrophobicContact CB-CG2 4.46Å; V1709-L1711 HydrophobicContact CG1-CD2 4.15Å; V1709-I1726 HydrophobicContact CG1-CD1 4.22Å |
| 1710 | H | 95.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 10.4 Ų | 10.4 | 9% | 0.088 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.5 | 174.3 | 179.9 | -153 | 0 | 0 | 0 | 110.6 | F1516 D1518 R1698 V1700 | F1516-H1710 AromaticContact CD1-CE1 3.84Å; F1516-H1710 AromaticContact CD1-CG 3.94Å; F1516-H1710 AromaticContact CD1-ND1 3.78Å; F1516-H1710 HydrophobicContact CE1-CB 4.48Å; F1516-H1710 AromaticContact CE1-ND1 3.8Å; D1518-H1710 IonicContact OD1-CE1 2.64Å; D1518-H1710 IonicContact OD1-NE2 3.04Å; D1518-H1710 IonicContact OD2-CE1 3.66Å; D1518-H1710 PolarHBondContact OD2-CE1 3.09Å; D1518-H1710 IonicContact OD2-NE2 2.85Å; R1698-H1710 PolarHBondContact N-O 3.06Å; R1698-H1710 PolarHBondContact O-N 2.95Å; V1700-H1710 HydrophobicContact CG1-CB 3.67Å; V1700-H1710 HydrophobicContact CG2-CB 4.14Å |
| 1711 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -116.6 | 71.1 | -176.8 | -62.1 | 174.4 | 0 | 0 | 0 | 109.3 | P1520 A1522 P1697 V1709 G1713 Y1714 A1719 A1722 | P1520-L1711 WeakPolarHBondContact CD-O 3.31Å; P1520-L1711 HydrophobicContact CG-CB 4.29Å; P1520-L1711 PolarHBondContact O-N 2.86Å; A1522-L1711 HydrophobicContact CB-CD1 3.95Å; P1697-L1711 HydrophobicContact CB-CD2 3.71Å; P1697-L1711 HydrophobicContact CG-CD2 3.73Å; V1709-L1711 HydrophobicContact CG1-CD2 4.15Å; L1711-G1713 PolarHBondContact O-N 2.92Å; L1711-Y1714 HydrophobicContact CB-CD1 4.29Å; L1711-Y1714 HydrophobicContact CB-CD2 3.75Å; L1711-Y1714 HydrophobicContact CB-CE2 4.3Å; L1711-Y1714 HydrophobicContact CB-CG 3.76Å; L1711-Y1714 HydrophobicContact CD2-CE1 4.38Å; L1711-Y1714 HydrophobicContact CD2-CE2 4.49Å; L1711-Y1714 WeakPolarHBondContact O-CB 3.35Å; L1711-Y1714 VanDerWaalsContact O-CD2 3.3Å; L1711-Y1714 WeakPolarHBondContact O-CD2 3.35Å; L1711-Y1714 PolarHBondContact O-N 3.35Å; L1711-Y1714 VanDerWaalsContact O-N 3.16Å; L1711-A1719 HydrophobicContact CD1-CB 3.84Å; L1711-A1722 HydrophobicContact CD1-CB 4.38Å; L1711-A1722 HydrophobicContact CD2-CB 4.37Å | ||
| 1712 | K | 89.2 | Confident | 91.6 | Very high | 55 Ų | 55 | 12.3 Ų | 12.3 | 24% | 0.239 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 119.7 | -175.1 | -172.1 | -173.1 | -173.2 | 75.3 | 0 | 112.2 | D1518 P1695 Y1714 Y1825 | D1518-K1712 IonicContact OD2-NZ 3.51Å; D1518-K1712 PolarHBondContact OD2-NZ 2.93Å; P1695-K1712 HydrophobicContact CB-CB 4.45Å; P1695-K1712 WeakPolarHBondContact CD-O 3.39Å; P1695-K1712 HydrophobicContact CG-CB 4.38Å; P1695-K1712 WeakPolarHBondContact CG-O 3.48Å; K1712-Y1714 VanDerWaalsContact C-N 3.31Å; K1712-Y1714 WeakPolarHBondContact O-CD2 3.37Å; K1712-Y1714 PolarHBondContact O-N 3.42Å; K1712-Y1825 WeakPolarHBondContact CE-OH 3.49Å; K1712-Y1825 PolarHBondContact NZ-OH 3.48Å |
| 1713 | G | 83.3 | Confident | 91.9 | Very high | 6 Ų | 6 | 12.3 Ų | 12.3 | 6% | 0.062 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | D1518 L1711 | D1518-G1713 PolarHBondContact O-N 3.46Å; L1711-G1713 PolarHBondContact O-N 2.92Å |
| 1714 | Y | 89.7 | Confident | 92.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -78.6 | 143 | 175.3 | -71.2 | -122.4 | 0 | 0 | 0 | 110.2 | P1520 L1687 C1691 L1694 P1695 L1711 K1712 E1718 A1722 | P1520-Y1714 VanDerWaalsContact CD-O 3.27Å; P1520-Y1714 WeakPolarHBondContact CD-O 3.48Å; L1687-Y1714 VanDerWaalsContact CD1-OH 3.31Å; L1687-Y1714 WeakPolarHBondContact CD1-OH 3.49Å; C1691-Y1714 HydrophobicContact CB-CE1 3.95Å; L1694-Y1714 HydrophobicContact CB-CD2 4.16Å; L1694-Y1714 HydrophobicContact CB-CE1 4.29Å; L1694-Y1714 HydrophobicContact CB-CE2 3.6Å; L1694-Y1714 HydrophobicContact CD1-CD1 3.57Å; L1694-Y1714 HydrophobicContact CD1-CD2 3.88Å; L1694-Y1714 HydrophobicContact CD1-CE1 3.72Å; L1694-Y1714 HydrophobicContact CD1-CE2 4.03Å; L1694-Y1714 HydrophobicContact CD1-CG 3.65Å; L1694-Y1714 HydrophobicContact CG-CE2 4.44Å; P1695-Y1714 WeakPolarHBondContact O-CE2 3.31Å; P1695-Y1714 PolarHBondContact O-OH 2.75Å; L1711-Y1714 HydrophobicContact CB-CD1 4.29Å; L1711-Y1714 HydrophobicContact CB-CD2 3.75Å; L1711-Y1714 HydrophobicContact CB-CE2 4.3Å; L1711-Y1714 HydrophobicContact CB-CG 3.76Å; L1711-Y1714 HydrophobicContact CD2-CE1 4.38Å; L1711-Y1714 HydrophobicContact CD2-CE2 4.49Å; L1711-Y1714 WeakPolarHBondContact O-CB 3.35Å; L1711-Y1714 VanDerWaalsContact O-CD2 3.3Å; L1711-Y1714 WeakPolarHBondContact O-CD2 3.35Å; L1711-Y1714 PolarHBondContact O-N 3.35Å; L1711-Y1714 VanDerWaalsContact O-N 3.16Å; K1712-Y1714 VanDerWaalsContact C-N 3.31Å; K1712-Y1714 WeakPolarHBondContact O-CD2 3.37Å; K1712-Y1714 PolarHBondContact O-N 3.42Å; Y1714-E1718 HydrophobicContact CD1-CB 4.27Å; Y1714-A1722 HydrophobicContact CD1-CB 4.23Å; Y1714-A1722 HydrophobicContact CE1-CB 3.85Å | ||
| 1715 | G | 89 | Confident | 92.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | trans | -80.7 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1717 E1718 A1719 P1806 | G1715-S1717 PolarHBondContact O-N 3.43Å; G1715-E1718 WeakPolarHBondContact CA-OE2 3.32Å; G1715-E1718 PolarHBondContact N-OE2 3.21Å; G1715-A1719 WeakPolarHBondContact O-CB 3.11Å; G1715-A1719 PolarHBondContact O-N 2.81Å; G1715-P1806 VanDerWaalsContact CA-O 3.3Å; G1715-P1806 WeakPolarHBondContact CA-O 3.44Å | ||
| 1716 | K | 90.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 17.7 Ų | 17.7 | 17% | 0.17 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | -175.8 | -166.8 | -173.5 | -179.2 | -162.8 | 0 | 111.9 | A1719 F1720 T1764 V1765 Q1767 I1805 | K1716-A1719 PolarHBondContact O-N 3.44Å; K1716-F1720 HydrophobicContact CG-CD2 4.37Å; K1716-F1720 HydrophobicContact CG-CE2 4.28Å; K1716-F1720 WeakPolarHBondContact O-CD2 3.32Å; K1716-F1720 PolarHBondContact O-N 3.44Å; K1716-T1764 VanDerWaalsContact CE-O 3.28Å; K1716-T1764 WeakPolarHBondContact CE-O 3.49Å; K1716-T1764 PolarHBondContact NZ-O 2.92Å; K1716-V1765 WeakPolarHBondContact CE-O 3.48Å; K1716-V1765 VanDerWaalsContact NZ-C 3.3Å; K1716-V1765 PolarHBondContact NZ-O 3.45Å; K1716-Q1767 PolarHBondContact NZ-O 2.94Å; K1716-I1805 HydrophobicContact CB-CD1 3.97Å; K1716-I1805 HydrophobicContact CB-CG2 4.09Å; K1716-I1805 HydrophobicContact CD-CD1 3.92Å; K1716-I1805 HydrophobicContact CG-CD1 3.78Å |
| 1717 | S | 90.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 10% | 0.098 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | -177.1 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | K489 G1715 A1719 F1720 D1721 | K489-S1717 PolarHBondContact NZ-OG 3.37Å; G1715-S1717 PolarHBondContact O-N 3.43Å; S1717-A1719 PolarHBondContact O-N 2.54Å; S1717-F1720 PolarHBondContact O-N 3.29Å; S1717-F1720 VanDerWaalsContact O-N 3.08Å; S1717-D1721 VanDerWaalsContact O-CG 3.32Å; S1717-D1721 PolarHBondContact O-N 3.37Å |
| 1718 | E | 91.7 | Very high | 93.2 | Very high | 29 Ų | 29 | 23 Ų | 23 | 14% | 0.136 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.2 | -28.4 | -175.1 | -55.8 | 73.5 | -161.7 | 0 | 0 | 111 | C1691 Y1714 G1715 A1722 C1808 | C1691-E1718 PolarHBondContact SG-O 3.22Å; Y1714-E1718 HydrophobicContact CD1-CB 4.27Å; G1715-E1718 WeakPolarHBondContact CA-OE2 3.32Å; G1715-E1718 PolarHBondContact N-OE2 3.21Å; E1718-A1722 VanDerWaalsContact O-CB 3.29Å; E1718-A1722 WeakPolarHBondContact O-CB 3.29Å; E1718-A1722 PolarHBondContact O-N 3.1Å; E1718-C1808 HydrophobicContact CG-CB 3.97Å |
| 1719 | A | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.5 | -35.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1520 L1711 G1715 K1716 S1717 A1723 I1745 | P1520-A1719 HydrophobicContact CB-CB 4.23Å; P1520-A1719 HydrophobicContact CG-CB 3.57Å; L1711-A1719 HydrophobicContact CD1-CB 3.84Å; G1715-A1719 WeakPolarHBondContact O-CB 3.11Å; G1715-A1719 PolarHBondContact O-N 2.81Å; K1716-A1719 PolarHBondContact O-N 3.44Å; S1717-A1719 PolarHBondContact O-N 2.54Å; A1719-A1723 WeakPolarHBondContact O-CB 3.42Å; A1719-A1723 PolarHBondContact O-N 2.92Å; A1719-I1745 HydrophobicContact CB-CD1 3.79Å |
| 1720 | F | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.3 | -46.9 | 170 | -86.5 | -86.8 | 0 | 0 | 0 | 110.8 | K1716 S1717 A1722 A1723 Y1724 L1742 I1745 E1763 T1764 V1765 | K1716-F1720 HydrophobicContact CG-CD2 4.37Å; K1716-F1720 HydrophobicContact CG-CE2 4.28Å; K1716-F1720 WeakPolarHBondContact O-CD2 3.32Å; K1716-F1720 PolarHBondContact O-N 3.44Å; S1717-F1720 PolarHBondContact O-N 3.29Å; S1717-F1720 VanDerWaalsContact O-N 3.08Å; F1720-A1722 PolarHBondContact O-N 2.87Å; F1720-A1723 PolarHBondContact O-N 3.4Å; F1720-Y1724 HydrophobicContact CB-CD2 4.44Å; F1720-Y1724 HydrophobicContact CB-CE2 4.2Å; F1720-Y1724 HydrophobicContact CD1-CE2 4.03Å; F1720-Y1724 WeakPolarHBondContact O-CD2 3.24Å; F1720-Y1724 PolarHBondContact O-N 3.2Å; F1720-L1742 HydrophobicContact CD1-CD2 3.44Å; F1720-L1742 VanDerWaalsContact CD1-CD2 3.44Å; F1720-L1742 HydrophobicContact CE1-CD2 3.73Å; F1720-L1742 HydrophobicContact CG-CD2 4.42Å; F1720-I1745 HydrophobicContact CB-CD1 4.34Å; F1720-I1745 HydrophobicContact CD1-CD1 4.14Å; F1720-I1745 HydrophobicContact CD2-CD1 3.5Å; F1720-I1745 HydrophobicContact CD2-CG1 4.37Å; F1720-I1745 HydrophobicContact CE1-CD1 4.31Å; F1720-I1745 HydrophobicContact CE1-CG1 4.36Å; F1720-I1745 HydrophobicContact CE2-CB 4.48Å; F1720-I1745 HydrophobicContact CE2-CD1 3.68Å; F1720-I1745 HydrophobicContact CE2-CG1 4.09Å; F1720-I1745 HydrophobicContact CG-CD1 3.73Å; F1720-I1745 HydrophobicContact CZ-CD1 4.08Å; F1720-I1745 HydrophobicContact CZ-CG1 4.08Å; F1720-E1763 WeakPolarHBondContact CE1-O 3.43Å; F1720-T1764 VanDerWaalsContact CZ-C 3.46Å; F1720-V1765 HydrophobicContact CB-CG2 3.86Å; F1720-V1765 HydrophobicContact CD1-CG2 4.15Å; F1720-V1765 HydrophobicContact CD2-CG2 3.8Å; F1720-V1765 HydrophobicContact CE2-CG2 4.42Å; F1720-V1765 HydrophobicContact CG-CG2 3.67Å |
| 1721 | D | 94 | Very high | 92.8 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 25% | 0.246 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.2 | -53.3 | 176.4 | -66.6 | -17.8 | 0 | 0 | 0 | 111.8 | P1688 T1690 S1717 Y1724 Q1725 | P1688-D1721 HydrophobicContact CG-CB 4.19Å; T1690-D1721 WeakPolarHBondContact CB-OD2 3.3Å; T1690-D1721 PolarHBondContact OG1-OD2 3.23Å; S1717-D1721 VanDerWaalsContact O-CG 3.32Å; S1717-D1721 PolarHBondContact O-N 3.37Å; D1721-Y1724 PolarHBondContact O-N 3.42Å; D1721-Q1725 PolarHBondContact O-N 2.84Å; D1721-Q1725 VanDerWaalsContact O-N 3.08Å |
| 1722 | A | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1687 L1711 Y1714 E1718 F1720 Y1724 Q1725 I1726 | L1687-A1722 HydrophobicContact CD2-CB 4.14Å; L1711-A1722 HydrophobicContact CD1-CB 4.38Å; L1711-A1722 HydrophobicContact CD2-CB 4.37Å; Y1714-A1722 HydrophobicContact CD1-CB 4.23Å; Y1714-A1722 HydrophobicContact CE1-CB 3.85Å; E1718-A1722 VanDerWaalsContact O-CB 3.29Å; E1718-A1722 WeakPolarHBondContact O-CB 3.29Å; E1718-A1722 PolarHBondContact O-N 3.1Å; F1720-A1722 PolarHBondContact O-N 2.87Å; A1722-Y1724 PolarHBondContact O-N 2.81Å; A1722-Q1725 PolarHBondContact O-N 2.91Å; A1722-I1726 WeakPolarHBondContact O-CB 3.12Å; A1722-I1726 WeakPolarHBondContact O-CD1 3.19Å; A1722-I1726 VanDerWaalsContact O-CG1 3.23Å; A1722-I1726 WeakPolarHBondContact O-CG1 3.37Å; A1722-I1726 PolarHBondContact O-N 2.94Å |
| 1723 | A | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A1522 L1524 A1719 F1720 A1727 L1742 | A1522-A1723 HydrophobicContact CB-CB 3.69Å; L1524-A1723 HydrophobicContact CD2-CB 4.18Å; A1719-A1723 WeakPolarHBondContact O-CB 3.42Å; A1719-A1723 PolarHBondContact O-N 2.92Å; F1720-A1723 PolarHBondContact O-N 3.4Å; A1723-A1727 WeakPolarHBondContact O-CB 3.39Å; A1723-A1727 PolarHBondContact O-N 2.91Å; A1723-L1742 HydrophobicContact CB-CD1 4.01Å; A1723-L1742 HydrophobicContact CB-CD2 3.96Å; A1723-L1742 HydrophobicContact CB-CG 4.46Å |
| 1724 | Y | 95.9 | Very high | 93.1 | Very high | 116 Ų | 116 | 30.8 Ų | 30.8 | 46% | 0.455 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 174 | -73.2 | -50.9 | 0 | 0 | 0 | 112.1 | F1720 D1721 A1722 A1727 K1728 L1742 | F1720-Y1724 HydrophobicContact CB-CD2 4.44Å; F1720-Y1724 HydrophobicContact CB-CE2 4.2Å; F1720-Y1724 HydrophobicContact CD1-CE2 4.03Å; F1720-Y1724 WeakPolarHBondContact O-CD2 3.24Å; F1720-Y1724 PolarHBondContact O-N 3.2Å; D1721-Y1724 PolarHBondContact O-N 3.42Å; A1722-Y1724 PolarHBondContact O-N 2.81Å; Y1724-A1727 PolarHBondContact O-N 3.16Å; Y1724-K1728 WeakPolarHBondContact O-CB 3.19Å; Y1724-K1728 PolarHBondContact O-N 3.36Å; Y1724-L1742 HydrophobicContact CD1-CB 4.34Å; Y1724-L1742 HydrophobicContact CD1-CD2 4.22Å; Y1724-L1742 HydrophobicContact CE1-CB 4.2Å; Y1724-L1742 HydrophobicContact CE1-CD2 3.87Å; Y1724-L1742 HydrophobicContact CE2-CD2 4.46Å |
| 1725 | Q | 95.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 32 Ų | 32 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 178.6 | 178.2 | 53 | 10.1 | 0 | 0 | 111.9 | I1685 V1686 P1688 D1721 A1722 K1728 E1729 | I1685-Q1725 HydrophobicContact CG2-CG 4.4Å; V1686-Q1725 WeakPolarHBondContact O-CG 3.5Å; V1686-Q1725 PolarHBondContact O-NE2 3.19Å; P1688-Q1725 HydrophobicContact CG-CB 4.11Å; P1688-Q1725 HydrophobicContact CG-CG 4.41Å; D1721-Q1725 PolarHBondContact O-N 2.84Å; D1721-Q1725 VanDerWaalsContact O-N 3.08Å; A1722-Q1725 PolarHBondContact O-N 2.91Å; Q1725-K1728 PolarHBondContact O-N 2.87Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.66Å; Q1725-E1729 PolarHBondContact O-N 3.37Å; Q1725-E1729 PolarHBondContact OE1-OE1 2.78Å |
| 1726 | I | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 170.6 | -67.6 | 163.1 | 0 | 0 | 0 | 111 | L1524 V1680 I1685 L1687 P1697 V1709 A1722 K1728 E1729 V1730 | L1524-I1726 HydrophobicContact CD1-CB 4.19Å; L1524-I1726 HydrophobicContact CD1-CG2 3.52Å; V1680-I1726 HydrophobicContact CG2-CG2 3.58Å; I1685-I1726 HydrophobicContact CD1-CB 4.4Å; I1685-I1726 HydrophobicContact CD1-CG1 3.96Å; I1685-I1726 HydrophobicContact CD1-CG2 4.21Å; I1685-I1726 HydrophobicContact CG2-CG1 4.37Å; L1687-I1726 HydrophobicContact CD2-CG1 4.5Å; P1697-I1726 HydrophobicContact CB-CD1 4.01Å; P1697-I1726 HydrophobicContact CG-CD1 4.03Å; V1709-I1726 HydrophobicContact CG1-CD1 4.22Å; A1722-I1726 WeakPolarHBondContact O-CB 3.12Å; A1722-I1726 WeakPolarHBondContact O-CD1 3.19Å; A1722-I1726 VanDerWaalsContact O-CG1 3.23Å; A1722-I1726 WeakPolarHBondContact O-CG1 3.37Å; A1722-I1726 PolarHBondContact O-N 2.94Å; I1726-K1728 PolarHBondContact O-N 3.38Å; I1726-E1729 PolarHBondContact O-N 3.41Å; I1726-V1730 HydrophobicContact CG2-CG2 4.25Å; I1726-V1730 WeakPolarHBondContact O-CG2 3.36Å; I1726-V1730 PolarHBondContact O-N 3Å |
| 1727 | A | 95.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -32.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1524 A1723 Y1724 T1731 L1740 | L1524-A1727 HydrophobicContact CD2-CB 4.46Å; A1723-A1727 WeakPolarHBondContact O-CB 3.39Å; A1723-A1727 PolarHBondContact O-N 2.91Å; Y1724-A1727 PolarHBondContact O-N 3.16Å; A1727-T1731 VanDerWaalsContact O-CB 3.24Å; A1727-T1731 WeakPolarHBondContact O-CB 3.29Å; A1727-T1731 PolarHBondContact O-N 3.29Å; A1727-T1731 PolarHBondContact O-OG1 3.44Å; A1727-L1740 HydrophobicContact CB-CG 4.47Å |
| 1728 | K | 94.4 | Very high | 92.9 | Very high | 117 Ų | 117 | 33 Ų | 33 | 51% | 0.509 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.7 | -50.3 | 174.3 | 169.2 | 170 | 153.6 | -79 | 0 | 112.2 | Y1724 Q1725 I1726 T1731 S1732 | Y1724-K1728 WeakPolarHBondContact O-CB 3.19Å; Y1724-K1728 PolarHBondContact O-N 3.36Å; Q1725-K1728 PolarHBondContact O-N 2.87Å; I1726-K1728 PolarHBondContact O-N 3.38Å; K1728-T1731 PolarHBondContact O-N 2.91Å; K1728-S1732 PolarHBondContact O-N 2.93Å |
| 1729 | E | 93.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.7 | -36.8 | -178.4 | -57.2 | -46 | 149.1 | 0 | 0 | 113.3 | I1685 Q1725 I1726 T1731 S1732 M1733 | I1685-E1729 HydrophobicContact CG2-CG 4.24Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.66Å; Q1725-E1729 PolarHBondContact O-N 3.37Å; Q1725-E1729 PolarHBondContact OE1-OE1 2.78Å; I1726-E1729 PolarHBondContact O-N 3.41Å; E1729-T1731 PolarHBondContact O-N 3.24Å; E1729-S1732 WeakPolarHBondContact CA-OG 3.38Å; E1729-S1732 PolarHBondContact O-N 2.85Å; E1729-S1732 PolarHBondContact O-OG 3.03Å; E1729-S1732 PolarHBondContact OE2-OG 3.08Å; E1729-M1733 PolarHBondContact O-N 2.73Å |
| 1730 | V | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -32.5 | 172 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | F1526 A1676 L1679 V1680 I1726 N1734 L1740 | F1526-V1730 HydrophobicContact CE1-CG1 4.29Å; F1526-V1730 HydrophobicContact CZ-CG1 3.92Å; A1676-V1730 HydrophobicContact CB-CG1 3.58Å; A1676-V1730 HydrophobicContact CB-CG2 4.31Å; L1679-V1730 HydrophobicContact CD2-CG2 4.13Å; V1680-V1730 HydrophobicContact CG2-CG2 4.43Å; I1726-V1730 HydrophobicContact CG2-CG2 4.25Å; I1726-V1730 WeakPolarHBondContact O-CG2 3.36Å; I1726-V1730 PolarHBondContact O-N 3Å; V1730-N1734 PolarHBondContact O-ND2 3.37Å; V1730-L1740 HydrophobicContact CB-CD2 3.79Å; V1730-L1740 HydrophobicContact CG1-CB 4.33Å; V1730-L1740 HydrophobicContact CG1-CD2 3.77Å; V1730-L1740 HydrophobicContact CG2-CD2 4.11Å |
| 1731 | T | 94.1 | Very high | 92.7 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.3 | -37.6 | 173.8 | -62 | 0 | 0 | 0 | 0 | 112.1 | A1727 K1728 E1729 M1733 N1734 K1739 L1740 | A1727-T1731 VanDerWaalsContact O-CB 3.24Å; A1727-T1731 WeakPolarHBondContact O-CB 3.29Å; A1727-T1731 PolarHBondContact O-N 3.29Å; A1727-T1731 PolarHBondContact O-OG1 3.44Å; K1728-T1731 PolarHBondContact O-N 2.91Å; E1729-T1731 PolarHBondContact O-N 3.24Å; T1731-M1733 VanDerWaalsContact C-N 3.31Å; T1731-M1733 PolarHBondContact O-N 2.98Å; T1731-N1734 PolarHBondContact O-N 2.95Å; T1731-K1739 HydrophobicContact CG2-CB 4.12Å; T1731-K1739 HydrophobicContact CG2-CG 4Å; T1731-L1740 PolarHBondContact OG1-N 2.82Å |
| 1732 | S | 90.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.5 | -28.8 | -178.1 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | K1728 E1729 N1734 | K1728-S1732 PolarHBondContact O-N 2.93Å; E1729-S1732 WeakPolarHBondContact CA-OG 3.38Å; E1729-S1732 PolarHBondContact O-N 2.85Å; E1729-S1732 PolarHBondContact O-OG 3.03Å; E1729-S1732 PolarHBondContact OE2-OG 3.08Å; S1732-N1734 VanDerWaalsContact C-N 3.26Å; S1732-N1734 PolarHBondContact O-N 2.99Å |
| 1733 | M | 90 | Very high | 92.7 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.4 | 173 | -171.4 | -179.6 | -177.1 | 0 | 0 | 113.9 | N1675 L1679 E1729 T1731 | N1675-M1733 HydrophobicContact CB-CE 3.99Å; N1675-M1733 HydrophobicContact CB-SD 4.43Å; L1679-M1733 HydrophobicContact CD2-SD 4.18Å; E1729-M1733 PolarHBondContact O-N 2.73Å; T1731-M1733 VanDerWaalsContact C-N 3.31Å; T1731-M1733 PolarHBondContact O-N 2.98Å |
| 1734 | N | 90.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -109.5 | 147.5 | -166.8 | -82.9 | -82.8 | 0 | 0 | 0 | 113.8 | V1730 T1731 S1732 I1738 | V1730-N1734 PolarHBondContact O-ND2 3.37Å; T1731-N1734 PolarHBondContact O-N 2.95Å; S1732-N1734 VanDerWaalsContact C-N 3.26Å; S1732-N1734 PolarHBondContact O-N 2.99Å; N1734-I1738 HydrophobicContact CB-CB 4.02Å; N1734-I1738 HydrophobicContact CB-CG2 3.73Å |
| 1735 | P | 90 | Very high | 92.7 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | trans | -72.6 | 134.5 | 176.8 | 26.7 | -29.9 | 0 | 0 | 0 | 112.2 | V293 A1536 Y1537 I1738 | V293-P1735 HydrophobicContact CG2-CB 4.27Å; V293-P1735 HydrophobicContact CG2-CG 4.42Å; A1536-P1735 HydrophobicContact CB-CB 4.28Å; A1536-P1735 HydrophobicContact CB-CG 4.1Å; Y1537-P1735 HydrophobicContact CE1-CG 4.39Å; Y1537-P1735 HydrophobicContact CE2-CG 3.88Å; Y1537-P1735 WeakPolarHBondContact OH-CG 3.18Å; P1735-I1738 HydrophobicContact CG-CD1 4.13Å; P1735-I1738 WeakPolarHBondContact O-CB 3.31Å; P1735-I1738 PolarHBondContact O-N 3.2Å; P1735-I1738 VanDerWaalsContact O-N 3.08Å | ||
| 1736 | V | 84.7 | Confident | 92.8 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 33% | 0.333 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.9 | 178.8 | -156.2 | 0 | 0 | 0 | 0 | 110 | P286 | P286-V1736 HydrophobicContact CG-CG1 4.27Å; P286-V1736 WeakPolarHBondContact O-CG1 3.38Å |
| 1737 | P | 89.4 | Confident | 92.8 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -105.5 | 21.7 | 21.1 | 41.8 | -36.9 | 0 | 0 | 0 | 116.2 | L285 I1535 K1739 | L285-P1737 HydrophobicContact CD2-CB 3.36Å; L285-P1737 HydrophobicContact CD2-CG 4.18Å; I1535-P1737 HydrophobicContact CB-CG 4.07Å; I1535-P1737 HydrophobicContact CD1-CG 4.23Å; I1535-P1737 HydrophobicContact CG2-CG 3.95Å; P1737-K1739 PolarHBondContact O-N 3.35Å |
| 1738 | I | 91.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | trans | -63.3 | 125.4 | 173.7 | -64.3 | 154.3 | 0 | 0 | 0 | 108.6 | F1526 V1533 A1536 Y1537 I1672 N1734 P1735 | F1526-I1738 HydrophobicContact CD1-CG2 4.01Å; F1526-I1738 HydrophobicContact CE1-CG2 3.86Å; V1533-I1738 HydrophobicContact CG2-CD1 4.27Å; A1536-I1738 HydrophobicContact CB-CD1 4Å; Y1537-I1738 HydrophobicContact CE2-CD1 3.87Å; I1672-I1738 HydrophobicContact CD1-CD1 3.65Å; I1672-I1738 HydrophobicContact CG2-CG2 4.29Å; N1734-I1738 HydrophobicContact CB-CB 4.02Å; N1734-I1738 HydrophobicContact CB-CG2 3.73Å; P1735-I1738 HydrophobicContact CG-CD1 4.13Å; P1735-I1738 WeakPolarHBondContact O-CB 3.31Å; P1735-I1738 PolarHBondContact O-N 3.2Å; P1735-I1738 VanDerWaalsContact O-N 3.08Å | ||
| 1739 | K | 91.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 30.9 Ų | 30.9 | 48% | 0.478 | 16% | 0.16 | S | C | . | . | trans | -148.1 | 129.5 | -178.2 | 174.8 | 167.4 | -177.5 | 171.1 | 0 | 110.6 | Q1527 T1731 P1737 | Q1527-K1739 PolarHBondContact N-O 3.48Å; T1731-K1739 HydrophobicContact CG2-CB 4.12Å; T1731-K1739 HydrophobicContact CG2-CG 4Å; P1737-K1739 PolarHBondContact O-N 3.35Å | ||
| 1740 | L | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.7 | 170 | -167 | 64.3 | 0 | 0 | 0 | 109.6 | L1524 F1526 L1707 A1727 V1730 T1731 | L1524-L1740 HydrophobicContact CB-CD1 3.9Å; L1524-L1740 HydrophobicContact CB-CD2 3.89Å; L1524-L1740 HydrophobicContact CB-CG 3.89Å; L1524-L1740 HydrophobicContact CD1-CD2 3.76Å; L1524-L1740 HydrophobicContact CD1-CG 4.49Å; L1524-L1740 HydrophobicContact CG-CD2 4.45Å; F1526-L1740 HydrophobicContact CD1-CB 4.1Å; F1526-L1740 HydrophobicContact CD1-CD1 3.98Å; F1526-L1740 HydrophobicContact CD2-CD1 3.92Å; F1526-L1740 HydrophobicContact CE1-CB 3.93Å; F1526-L1740 HydrophobicContact CE1-CD1 4.1Å; F1526-L1740 HydrophobicContact CE2-CD1 4.05Å; F1526-L1740 HydrophobicContact CG-CD1 3.88Å; F1526-L1740 HydrophobicContact CZ-CD1 4.13Å; L1707-L1740 HydrophobicContact CD1-CD1 3.93Å; L1707-L1740 HydrophobicContact CD1-CD2 4.3Å; A1727-L1740 HydrophobicContact CB-CG 4.47Å; V1730-L1740 HydrophobicContact CB-CD2 3.79Å; V1730-L1740 HydrophobicContact CG1-CB 4.33Å; V1730-L1740 HydrophobicContact CG1-CD2 3.77Å; V1730-L1740 HydrophobicContact CG2-CD2 4.11Å; T1731-L1740 PolarHBondContact OG1-N 2.82Å |
| 1741 | K | 92.3 | Very high | 92.9 | Very high | 115 Ų | 115 | 28.4 Ų | 28.4 | 50% | 0.5 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.4 | 177.2 | -172.4 | -162.4 | 168.5 | -79.2 | 0 | 109.7 | L1524 D1525 E1743 | L1524-K1741 CarbonylContact C-O 3Å; L1524-K1741 WeakPolarHBondContact CA-O 3.1Å; D1525-K1741 PolarHBondContact N-O 2.89Å; D1525-K1741 PolarHBondContact O-N 3.26Å; K1741-E1743 PolarHBondContact O-N 3Å |
| 1742 | L | 95.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 119.5 | 162.9 | 174.4 | 58.2 | 0 | 0 | 0 | 110.2 | A1522 L1524 F1720 A1723 Y1724 K1744 I1745 | A1522-L1742 HydrophobicContact CB-CD1 4.45Å; L1524-L1742 HydrophobicContact CD2-CB 3.92Å; L1524-L1742 HydrophobicContact CD2-CD1 3.91Å; F1720-L1742 HydrophobicContact CD1-CD2 3.44Å; F1720-L1742 VanDerWaalsContact CD1-CD2 3.44Å; F1720-L1742 HydrophobicContact CE1-CD2 3.73Å; F1720-L1742 HydrophobicContact CG-CD2 4.42Å; A1723-L1742 HydrophobicContact CB-CD1 4.01Å; A1723-L1742 HydrophobicContact CB-CD2 3.96Å; A1723-L1742 HydrophobicContact CB-CG 4.46Å; Y1724-L1742 HydrophobicContact CD1-CB 4.34Å; Y1724-L1742 HydrophobicContact CD1-CD2 4.22Å; Y1724-L1742 HydrophobicContact CE1-CB 4.2Å; Y1724-L1742 HydrophobicContact CE1-CD2 3.87Å; Y1724-L1742 HydrophobicContact CE2-CD2 4.46Å; L1742-K1744 WeakPolarHBondContact CD1-O 3.37Å; L1742-I1745 HydrophobicContact CD1-CG1 4.11Å |
| 1743 | E | 92.5 | Very high | 92.9 | Very high | 48 Ų | 48 | 26 Ų | 26 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -57.5 | 169.8 | -167 | -161.7 | 170.6 | 0 | 0 | 109.5 | V1523 K1741 | V1523-E1743 HydrophobicContact CG1-CB 4.42Å; V1523-E1743 PolarHBondContact O-N 3.21Å; K1741-E1743 PolarHBondContact O-N 3Å |
| 1744 | K | 95.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 169.6 | -172.3 | 63.5 | -149.5 | 166.4 | -164.8 | 0 | 110.7 | V1523 L1742 Y1746 A1761 Y1762 E1763 D1773 | V1523-K1744 HydrophobicContact CB-CG 4.2Å; V1523-K1744 HydrophobicContact CG2-CG 4.35Å; V1523-K1744 PolarHBondContact N-O 3.26Å; L1742-K1744 WeakPolarHBondContact CD1-O 3.37Å; K1744-Y1746 HydrophobicContact CD-CE1 4.27Å; K1744-Y1746 WeakPolarHBondContact CE-OH 3.39Å; K1744-Y1746 PolarHBondContact NZ-OH 2.68Å; K1744-A1761 HydrophobicContact CB-CB 4.4Å; K1744-A1761 HydrophobicContact CD-CB 4.06Å; K1744-A1761 HydrophobicContact CG-CB 4.34Å; K1744-Y1762 CarbonylContact C-O 3.48Å; K1744-Y1762 WeakPolarHBondContact CA-O 3.26Å; K1744-E1763 HydrophobicContact CB-CG 4.38Å; K1744-D1773 IonicContact NZ-OD2 2.68Å; K1744-D1773 PolarHBondContact NZ-OD2 2.83Å |
| 1745 | I | 96.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.1 | 170.7 | -57.3 | -169.2 | 0 | 0 | 0 | 109.2 | P1520 I1521 A1522 A1719 F1720 L1742 A1761 Y1762 | P1520-I1745 HydrophobicContact CB-CG2 3.51Å; I1521-I1745 CarbonylContact O-C 3.55Å; I1521-I1745 WeakPolarHBondContact O-CA 3.23Å; A1522-I1745 HydrophobicContact CB-CG1 4.49Å; A1719-I1745 HydrophobicContact CB-CD1 3.79Å; F1720-I1745 HydrophobicContact CB-CD1 4.34Å; F1720-I1745 HydrophobicContact CD1-CD1 4.14Å; F1720-I1745 HydrophobicContact CD2-CD1 3.5Å; F1720-I1745 HydrophobicContact CD2-CG1 4.37Å; F1720-I1745 HydrophobicContact CE1-CD1 4.31Å; F1720-I1745 HydrophobicContact CE1-CG1 4.36Å; F1720-I1745 HydrophobicContact CE2-CB 4.48Å; F1720-I1745 HydrophobicContact CE2-CD1 3.68Å; F1720-I1745 HydrophobicContact CE2-CG1 4.09Å; F1720-I1745 HydrophobicContact CG-CD1 3.73Å; F1720-I1745 HydrophobicContact CZ-CD1 4.08Å; F1720-I1745 HydrophobicContact CZ-CG1 4.08Å; L1742-I1745 HydrophobicContact CD1-CG1 4.11Å; I1745-A1761 CarbonylContact O-C 3.52Å; I1745-A1761 WeakPolarHBondContact O-CA 3.24Å; I1745-Y1762 PolarHBondContact N-O 2.83Å; I1745-Y1762 PolarHBondContact O-N 3.43Å |
| 1746 | Y | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.7 | 171.3 | -69.2 | -49.1 | 0 | 0 | 0 | 111.4 | I1521 V1523 F1708 K1744 Y1757 Y1760 A1761 D1773 | I1521-Y1746 PolarHBondContact N-O 3.12Å; I1521-Y1746 PolarHBondContact O-N 2.93Å; V1523-Y1746 HydrophobicContact CG2-CD2 3.51Å; V1523-Y1746 HydrophobicContact CG2-CE2 3.55Å; V1523-Y1746 HydrophobicContact CG2-CG 4.4Å; F1708-Y1746 HydrophobicContact CE1-CD2 4.11Å; F1708-Y1746 AromaticContact CE1-CE2 3.76Å; F1708-Y1746 HydrophobicContact CE1-CE2 3.76Å; F1708-Y1746 HydrophobicContact CZ-CE2 4.24Å; K1744-Y1746 HydrophobicContact CD-CE1 4.27Å; K1744-Y1746 WeakPolarHBondContact CE-OH 3.39Å; K1744-Y1746 PolarHBondContact NZ-OH 2.68Å; Y1746-Y1757 HydrophobicContact CE2-CD2 4.09Å; Y1746-Y1757 HydrophobicContact CE2-CE2 4.01Å; Y1746-Y1760 CarbonylContact C-O 3.59Å; Y1746-Y1760 VanDerWaalsContact CA-O 3.31Å; Y1746-Y1760 WeakPolarHBondContact CA-O 3.43Å; Y1746-A1761 HydrophobicContact CD1-CB 3.99Å; Y1746-A1761 HydrophobicContact CE1-CB 3.86Å; Y1746-D1773 HydrophobicContact CE1-CB 3.94Å; Y1746-D1773 PolarHBondContact OH-OD2 3.07Å |
| 1747 | Y | 95.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 128.7 | 160.1 | -177.9 | -82.8 | 0 | 0 | 0 | 112.1 | I1517 Y1760 F1803 T1804 I1805 | I1517-Y1747 PolarHBondContact O-OH 3.14Å; Y1747-Y1760 PolarHBondContact N-O 2.71Å; Y1747-Y1760 WeakPolarHBondContact O-CB 3.37Å; Y1747-F1803 HydrophobicContact CE1-CB 4.02Å; Y1747-T1804 WeakPolarHBondContact CE1-O 3.44Å; Y1747-T1804 PolarHBondContact OH-O 3.37Å; Y1747-T1804 VanDerWaalsContact OH-O 3.05Å; Y1747-I1805 HydrophobicContact CD1-CB 4.18Å; Y1747-I1805 HydrophobicContact CD1-CG1 3.57Å; Y1747-I1805 HydrophobicContact CE1-CG1 4.33Å; Y1747-I1805 HydrophobicContact CG-CG1 3.96Å |
| 1748 | P | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -71 | 170.4 | -13.8 | 33.8 | -37.9 | 0 | 0 | 0 | 110.9 | F1515 I1517 G1759 Y1760 F1800 F1803 | F1515-P1748 HydrophobicContact CE2-CB 3.86Å; F1515-P1748 HydrophobicContact CE2-CG 4.3Å; F1515-P1748 HydrophobicContact CZ-CB 4.14Å; F1515-P1748 HydrophobicContact CZ-CG 4.41Å; I1517-P1748 HydrophobicContact CG2-CB 3.8Å; P1748-G1759 WeakPolarHBondContact O-CA 3.49Å; P1748-Y1760 PolarHBondContact O-N 2.88Å; P1748-F1800 HydrophobicContact CG-CB 3.69Å; P1748-F1800 HydrophobicContact CG-CD1 3.66Å; P1748-F1800 HydrophobicContact CG-CD2 4.19Å; P1748-F1800 HydrophobicContact CG-CE1 4.3Å; P1748-F1800 HydrophobicContact CG-CG 3.59Å; P1748-F1803 HydrophobicContact CB-CB 4.45Å; P1748-F1803 HydrophobicContact CG-CB 4.24Å; P1748-F1803 HydrophobicContact CG-CD2 4.49Å |
| 1749 | C | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.1 | -179 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | F1515 F1516 I1521 | F1515-C1749 CarbonylContact C-O 3.56Å; F1515-C1749 WeakPolarHBondContact CD2-O 3.3Å; F1516-C1749 HydrophobicContact CB-CB 4.41Å; F1516-C1749 PolarHBondContact N-O 2.68Å; F1516-C1749 PolarHBondContact O-N 3.34Å; F1516-C1749 VanDerWaalsContact O-N 3.11Å; I1521-C1749 HydrophobicContact CD1-CB 3.74Å; I1521-C1749 HydrophobicContact CG1-CB 4.29Å |
| 1750 | L | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.4 | 172.8 | -171.5 | 145.6 | 0 | 0 | 0 | 110.1 | F1515 E1752 Y1757 V1758 F1796 V1966 I1967 | F1515-L1750 HydrophobicContact CB-CD1 4.16Å; F1515-L1750 HydrophobicContact CD2-CB 3.93Å; F1515-L1750 HydrophobicContact CD2-CD1 4.13Å; F1515-L1750 HydrophobicContact CD2-CG 4.43Å; F1515-L1750 HydrophobicContact CG-CD1 4.31Å; L1750-E1752 HydrophobicContact CD2-CB 4.35Å; L1750-Y1757 VanDerWaalsContact O-CA 3.29Å; L1750-Y1757 WeakPolarHBondContact O-CA 3.31Å; L1750-V1758 HydrophobicContact CB-CG1 4.11Å; L1750-V1758 HydrophobicContact CD2-CG1 4.46Å; L1750-V1758 PolarHBondContact N-O 2.88Å; L1750-V1758 PolarHBondContact O-N 2.86Å; L1750-F1796 HydrophobicContact CD1-CE1 4.33Å; L1750-V1966 HydrophobicContact CD1-CB 4.3Å; L1750-V1966 HydrophobicContact CD1-CG1 4.11Å; L1750-V1966 HydrophobicContact CD2-CG1 4.38Å; L1750-V1966 HydrophobicContact CG-CB 4.5Å; L1750-V1966 HydrophobicContact CG-CG1 3.99Å; L1750-I1967 HydrophobicContact CD1-CD1 4.31Å; L1750-I1967 HydrophobicContact CD1-CG1 4.22Å |
| 1751 | L | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.3 | 170.2 | -52.2 | -173.1 | 0 | 0 | 0 | 108.4 | P1511 S1513 V1514 F1516 V1700 F1708 Y1757 | P1511-L1751 HydrophobicContact CB-CB 4.2Å; P1511-L1751 HydrophobicContact CB-CD1 3.95Å; S1513-L1751 CarbonylContact C-O 3.4Å; S1513-L1751 WeakPolarHBondContact CA-O 3.26Å; V1514-L1751 PolarHBondContact O-N 2.72Å; F1516-L1751 HydrophobicContact CD2-CG 4.28Å; F1516-L1751 HydrophobicContact CE2-CD1 3.74Å; F1516-L1751 HydrophobicContact CE2-CG 3.87Å; F1516-L1751 HydrophobicContact CZ-CD1 4.42Å; V1700-L1751 HydrophobicContact CG2-CD1 4.37Å; F1708-L1751 HydrophobicContact CD1-CD2 4.38Å; F1708-L1751 HydrophobicContact CE1-CD2 4.45Å; L1751-Y1757 HydrophobicContact CD2-CG 4.3Å |
| 1752 | E | 91.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 20 Ų | 20 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -55.9 | 175.5 | -174.9 | -167.4 | 118.5 | 0 | 0 | 109.7 | S1513 L1750 R1756 R1962 | S1513-E1752 PolarHBondContact OG-O 3.25Å; L1750-E1752 HydrophobicContact CD2-CB 4.35Å; E1752-R1756 HydrophobicContact CB-CB 3.94Å; E1752-R1756 WeakPolarHBondContact CB-O 3.49Å; E1752-R1756 PolarHBondContact N-O 3.42Å; E1752-R1756 WeakPolarHBondContact OE1-CD 3.37Å; E1752-R1756 IonicContact OE1-CZ 3.43Å; E1752-R1756 IonicContact OE1-NE 2.77Å; E1752-R1756 IonicContact OE1-NH1 3.56Å; E1752-R1756 PolarHBondContact OE1-NH1 3.02Å; E1752-R1962 VanDerWaalsContact CD-NE 3.26Å; E1752-R1962 HydrophobicContact CG-CB 4.44Å; E1752-R1962 IonicContact OE1-CZ 2.71Å; E1752-R1962 IonicContact OE1-NE 3.99Å; E1752-R1962 PolarHBondContact OE1-NE 3.48Å; E1752-R1962 IonicContact OE1-NH2 2.73Å; E1752-R1962 PolarHBondContact OE1-NH2 2.99Å; E1752-R1962 IonicContact OE2-CZ 2.68Å; E1752-R1962 IonicContact OE2-NE 3.2Å; E1752-R1962 PolarHBondContact OE2-NE 3.1Å; E1752-R1962 IonicContact OE2-NH2 3.6Å; E1752-R1962 PolarHBondContact OE2-NH2 3.37Å |
| 1753 | A | 92.4 | Very high | 94.6 | Very high | 31 Ų | 31 | 24.9 Ų | 24.9 | 26% | 0.256 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1755 R1756 | A1753-K1755 PolarHBondContact O-N 3.04Å; A1753-R1756 HydrophobicContact CB-CB 4.46Å; A1753-R1756 PolarHBondContact N-O 2.82Å; A1753-R1756 CarbonylContact O-C 3.55Å; A1753-R1756 WeakPolarHBondContact O-CA 3.38Å; A1753-R1756 PolarHBondContact O-N 3.07Å; A1753-R1756 VanDerWaalsContact O-O 3.1Å |
| 1754 | K | 91.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 25 Ų | 25 | 38% | 0.383 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 129.1 | 169.6 | -80.1 | 168.2 | 165.8 | 155.8 | 0 | 111.9 | N1508 L1509 E1510 Y1701 R1756 | N1508-K1754 VanDerWaalsContact O-CE 3.22Å; N1508-K1754 WeakPolarHBondContact O-CE 3.13Å; L1509-K1754 WeakPolarHBondContact O-CE 3.46Å; E1510-K1754 WeakPolarHBondContact OE2-CE 3.31Å; E1510-K1754 IonicContact OE2-NZ 2.86Å; E1510-K1754 PolarHBondContact OE2-NZ 3.26Å; Y1701-K1754 HydrophobicContact CE2-CG 4.3Å; K1754-R1756 PolarHBondContact O-N 3.13Å |
| 1755 | K | 90.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 26.5 Ų | 26.5 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 22.1 | -174 | -56.9 | -156.2 | 166.5 | -66.3 | 0 | 115.5 | D580 Y1701 D1703 A1753 G1776 | D580-K1755 IonicContact OD1-NZ 2.77Å; D580-K1755 PolarHBondContact OD1-NZ 3.47Å; Y1701-K1755 PolarHBondContact OH-N 3.3Å; D1703-K1755 WeakPolarHBondContact OD1-CE 3.4Å; D1703-K1755 IonicContact OD1-NZ 3.22Å; D1703-K1755 PolarHBondContact OD1-NZ 2.87Å; D1703-K1755 WeakPolarHBondContact OD2-CG 3.46Å; D1703-K1755 IonicContact OD2-NZ 3.76Å; D1703-K1755 PolarHBondContact OD2-NZ 3.16Å; A1753-K1755 PolarHBondContact O-N 3.04Å; K1755-G1776 VanDerWaalsContact O-CA 3.32Å; K1755-G1776 WeakPolarHBondContact O-CA 3.38Å |
| 1756 | R | 93.5 | Very high | 94.1 | Very high | 87 Ų | 87 | 29.8 Ų | 29.8 | 33% | 0.328 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 99.7 | 178.7 | -62 | -171.2 | -167.5 | -178.4 | 6.6 | 111.8 | E1752 A1753 K1754 K1775 I1777 | E1752-R1756 HydrophobicContact CB-CB 3.94Å; E1752-R1756 WeakPolarHBondContact CB-O 3.49Å; E1752-R1756 PolarHBondContact N-O 3.42Å; E1752-R1756 WeakPolarHBondContact OE1-CD 3.37Å; E1752-R1756 IonicContact OE1-CZ 3.43Å; E1752-R1756 IonicContact OE1-NE 2.77Å; E1752-R1756 IonicContact OE1-NH1 3.56Å; E1752-R1756 PolarHBondContact OE1-NH1 3.02Å; A1753-R1756 HydrophobicContact CB-CB 4.46Å; A1753-R1756 PolarHBondContact N-O 2.82Å; A1753-R1756 CarbonylContact O-C 3.55Å; A1753-R1756 WeakPolarHBondContact O-CA 3.38Å; A1753-R1756 PolarHBondContact O-N 3.07Å; A1753-R1756 VanDerWaalsContact O-O 3.1Å; K1754-R1756 PolarHBondContact O-N 3.13Å; R1756-K1775 WeakPolarHBondContact CA-O 3.26Å; R1756-I1777 HydrophobicContact CB-CG2 4.13Å |
| 1757 | Y | 94.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 160.9 | 179.9 | 54.6 | -90.1 | 0 | 0 | 0 | 111.3 | D580 Y1701 F1708 Y1746 L1750 L1751 K1775 | D580-Y1757 PolarHBondContact OD2-OH 3.28Å; Y1701-Y1757 HydrophobicContact CE1-CD1 4.21Å; Y1701-Y1757 AromaticContact CE1-CE1 3.97Å; Y1701-Y1757 HydrophobicContact CE1-CE1 3.97Å; F1708-Y1757 HydrophobicContact CE1-CD2 4.01Å; F1708-Y1757 AromaticContact CE1-CE2 3.88Å; F1708-Y1757 HydrophobicContact CE1-CE2 3.88Å; F1708-Y1757 HydrophobicContact CE1-CG 4.44Å; F1708-Y1757 HydrophobicContact CZ-CD2 4.16Å; F1708-Y1757 HydrophobicContact CZ-CE1 4.13Å; F1708-Y1757 AromaticContact CZ-CE2 3.57Å; F1708-Y1757 HydrophobicContact CZ-CE2 3.57Å; F1708-Y1757 AromaticContact CZ-CZ 3.54Å; Y1746-Y1757 HydrophobicContact CE2-CD2 4.09Å; Y1746-Y1757 HydrophobicContact CE2-CE2 4.01Å; L1750-Y1757 VanDerWaalsContact O-CA 3.29Å; L1750-Y1757 WeakPolarHBondContact O-CA 3.31Å; L1751-Y1757 HydrophobicContact CD2-CG 4.3Å; Y1757-K1775 HydrophobicContact CD1-CB 4.3Å; Y1757-K1775 HydrophobicContact CD2-CB 4.39Å; Y1757-K1775 HydrophobicContact CD2-CG 4.07Å; Y1757-K1775 HydrophobicContact CE1-CB 3.96Å; Y1757-K1775 HydrophobicContact CE1-CG 4.03Å; Y1757-K1775 HydrophobicContact CE2-CB 4.08Å; Y1757-K1775 HydrophobicContact CE2-CG 3.41Å; Y1757-K1775 VanDerWaalsContact CE2-CG 3.41Å; Y1757-K1775 VanDerWaalsContact CZ-CG 3.4Å; Y1757-K1775 PolarHBondContact N-O 2.99Å; Y1757-K1775 PolarHBondContact O-N 3.24Å |
| 1758 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 137.4 | -177.5 | 53.6 | 0 | 0 | 0 | 0 | 110 | L1750 F1772 D1773 A1774 I1777 F1796 F1800 | L1750-V1758 HydrophobicContact CB-CG1 4.11Å; L1750-V1758 HydrophobicContact CD2-CG1 4.46Å; L1750-V1758 PolarHBondContact N-O 2.88Å; L1750-V1758 PolarHBondContact O-N 2.86Å; V1758-F1772 HydrophobicContact CG2-CD2 4.3Å; V1758-F1772 HydrophobicContact CG2-CE2 3.37Å; V1758-F1772 HydrophobicContact CG2-CZ 3.5Å; V1758-D1773 WeakPolarHBondContact CA-O 3.04Å; V1758-A1774 HydrophobicContact CB-CB 4.32Å; V1758-A1774 HydrophobicContact CG2-CB 4.05Å; V1758-I1777 HydrophobicContact CB-CD1 3.79Å; V1758-I1777 HydrophobicContact CG1-CD1 4.02Å; V1758-I1777 HydrophobicContact CG2-CD1 4.11Å; V1758-F1796 HydrophobicContact CG1-CD1 3.9Å; V1758-F1796 HydrophobicContact CG1-CD2 4.37Å; V1758-F1796 HydrophobicContact CG1-CE1 3.52Å; V1758-F1796 HydrophobicContact CG1-CE2 4.03Å; V1758-F1796 HydrophobicContact CG1-CG 4.33Å; V1758-F1796 HydrophobicContact CG1-CZ 3.61Å; V1758-F1796 HydrophobicContact CG2-CD1 4.48Å; V1758-F1796 HydrophobicContact CG2-CD2 4.33Å; V1758-F1796 HydrophobicContact CG2-CG 4.25Å; V1758-F1800 HydrophobicContact CG1-CZ 4.24Å; V1758-F1800 HydrophobicContact CG2-CE2 4.06Å; V1758-F1800 HydrophobicContact CG2-CZ 4.24Å |
| 1759 | G | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 163.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1748 D1773 | P1748-G1759 WeakPolarHBondContact O-CA 3.49Å; G1759-D1773 PolarHBondContact N-O 3.27Å; G1759-D1773 PolarHBondContact O-N 2.93Å |
| 1760 | Y | 97.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 107.3 | 171.1 | -92 | -0.8 | 0 | 0 | 0 | 109.4 | Y1746 Y1747 P1748 P1770 F1772 K1797 F1800 N1801 | Y1746-Y1760 CarbonylContact C-O 3.59Å; Y1746-Y1760 VanDerWaalsContact CA-O 3.31Å; Y1746-Y1760 WeakPolarHBondContact CA-O 3.43Å; Y1747-Y1760 PolarHBondContact N-O 2.71Å; Y1747-Y1760 WeakPolarHBondContact O-CB 3.37Å; P1748-Y1760 PolarHBondContact O-N 2.88Å; Y1760-P1770 VanDerWaalsContact CB-CB 3.5Å; Y1760-P1770 HydrophobicContact CD1-CB 4.09Å; Y1760-P1770 HydrophobicContact CD1-CG 4.09Å; Y1760-P1770 HydrophobicContact CD2-CB 3.89Å; Y1760-P1770 HydrophobicContact CD2-CG 3.39Å; Y1760-P1770 HydrophobicContact CE1-CG 4.38Å; Y1760-P1770 HydrophobicContact CE2-CG 3.74Å; Y1760-P1770 HydrophobicContact CG-CB 3.57Å; Y1760-P1770 HydrophobicContact CG-CG 3.58Å; Y1760-F1772 HydrophobicContact CD1-CB 4.34Å; Y1760-F1772 HydrophobicContact CD1-CD2 4.13Å; Y1760-F1772 HydrophobicContact CE1-CB 4.17Å; Y1760-F1772 AromaticContact CE1-CD2 3.9Å; Y1760-F1772 HydrophobicContact CE1-CD2 3.9Å; Y1760-K1797 HydrophobicContact CE1-CG 4.16Å; Y1760-K1797 WeakPolarHBondContact OH-CA 3.5Å; Y1760-K1797 WeakPolarHBondContact OH-CB 3.45Å; Y1760-K1797 PolarHBondContact OH-O 2.73Å; Y1760-F1800 HydrophobicContact CD1-CB 4.48Å; Y1760-F1800 AromaticContact CD1-CD2 3.71Å; Y1760-F1800 HydrophobicContact CD1-CD2 3.71Å; Y1760-F1800 HydrophobicContact CD2-CB 3.71Å; Y1760-F1800 HydrophobicContact CD2-CD2 4.21Å; Y1760-F1800 HydrophobicContact CD2-CG 4.47Å; Y1760-F1800 HydrophobicContact CE1-CB 4.24Å; Y1760-F1800 AromaticContact CE1-CD2 3.94Å; Y1760-F1800 HydrophobicContact CE1-CD2 3.94Å; Y1760-F1800 HydrophobicContact CE2-CB 3.43Å; Y1760-F1800 VanDerWaalsContact CE2-CB 3.43Å; Y1760-F1800 HydrophobicContact CE2-CD2 4.43Å; Y1760-F1800 HydrophobicContact CE2-CG 4.48Å; Y1760-F1800 HydrophobicContact CG-CB 4.24Å; Y1760-F1800 AromaticContact CG-CD2 3.87Å; Y1760-F1800 HydrophobicContact CG-CD2 3.87Å; Y1760-N1801 VanDerWaalsContact CE2-OD1 3.32Å; Y1760-N1801 WeakPolarHBondContact CE2-OD1 3.44Å; Y1760-N1801 PolarHBondContact OH-OD1 3.28Å |
| 1761 | A | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1744 I1745 Y1746 Q1767 I1771 D1773 | K1744-A1761 HydrophobicContact CB-CB 4.4Å; K1744-A1761 HydrophobicContact CD-CB 4.06Å; K1744-A1761 HydrophobicContact CG-CB 4.34Å; I1745-A1761 CarbonylContact O-C 3.52Å; I1745-A1761 WeakPolarHBondContact O-CA 3.24Å; Y1746-A1761 HydrophobicContact CD1-CB 3.99Å; Y1746-A1761 HydrophobicContact CE1-CB 3.86Å; A1761-Q1767 PolarHBondContact O-NE2 2.88Å; A1761-Q1767 VanDerWaalsContact O-NE2 3.1Å; A1761-I1771 HydrophobicContact CB-CB 4.29Å; A1761-I1771 WeakPolarHBondContact CB-O 3.45Å; A1761-I1771 PolarHBondContact N-O 3.03Å; A1761-I1771 PolarHBondContact O-N 2.84Å; A1761-D1773 HydrophobicContact CB-CB 4.48Å |
| 1762 | Y | 96.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.3 | 167.9 | -62.1 | -88.7 | 0 | 0 | 0 | 108.9 | K1744 I1745 Q1767 P1770 I1805 | K1744-Y1762 CarbonylContact C-O 3.48Å; K1744-Y1762 WeakPolarHBondContact CA-O 3.26Å; I1745-Y1762 PolarHBondContact N-O 2.83Å; I1745-Y1762 PolarHBondContact O-N 3.43Å; Y1762-Q1767 HydrophobicContact CD1-CB 4.45Å; Y1762-Q1767 HydrophobicContact CD1-CG 4.31Å; Y1762-Q1767 WeakPolarHBondContact CD1-O 3.29Å; Y1762-P1770 HydrophobicContact CE1-CB 4.08Å; Y1762-P1770 HydrophobicContact CE2-CB 3.91Å; Y1762-I1805 HydrophobicContact CD2-CD1 4.02Å; Y1762-I1805 HydrophobicContact CE1-CD1 4.39Å; Y1762-I1805 HydrophobicContact CE2-CD1 3.68Å; Y1762-I1805 HydrophobicContact CE2-CG1 4.29Å |
| 1763 | E | 93.6 | Very high | 93.4 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -89.1 | -25.9 | 177.7 | -63.4 | -177.3 | -171.4 | 0 | 0 | 112 | F1720 K1744 | F1720-E1763 WeakPolarHBondContact CE1-O 3.43Å; K1744-E1763 HydrophobicContact CB-CG 4.38Å |
| 1764 | T | 93 | Very high | 93.5 | Very high | 51 Ų | 51 | 51 Ų | 51 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -136.1 | 164.8 | 177.5 | 87 | 0 | 0 | 0 | 0 | 113.4 | K1716 F1720 E1766 Q1767 | K1716-T1764 VanDerWaalsContact CE-O 3.28Å; K1716-T1764 WeakPolarHBondContact CE-O 3.49Å; K1716-T1764 PolarHBondContact NZ-O 2.92Å; F1720-T1764 VanDerWaalsContact CZ-C 3.46Å; T1764-E1766 VanDerWaalsContact C-N 3.34Å; T1764-E1766 WeakPolarHBondContact CB-OE2 3.41Å; T1764-E1766 PolarHBondContact OG1-N 3.34Å; T1764-E1766 PolarHBondContact OG1-OE2 3.21Å; T1764-Q1767 PolarHBondContact OG1-N 2.96Å |
| 1765 | V | 91.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.1 | -35 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | K1716 F1720 | K1716-V1765 WeakPolarHBondContact CE-O 3.48Å; K1716-V1765 VanDerWaalsContact NZ-C 3.3Å; K1716-V1765 PolarHBondContact NZ-O 3.45Å; F1720-V1765 HydrophobicContact CB-CG2 3.86Å; F1720-V1765 HydrophobicContact CD1-CG2 4.15Å; F1720-V1765 HydrophobicContact CD2-CG2 3.8Å; F1720-V1765 HydrophobicContact CE2-CG2 4.42Å; F1720-V1765 HydrophobicContact CG-CG2 3.67Å |
| 1766 | E | 90.7 | Very high | 93.6 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -80.4 | -22 | -177.2 | -44.5 | 83.4 | 170.7 | 0 | 0 | 113.6 | P484 E486 T1764 I1768 | P484-E1766 HydrophobicContact CB-CG 4.21Å; P484-E1766 WeakPolarHBondContact CB-OE1 3.26Å; P484-E1766 WeakPolarHBondContact CG-OE1 3.21Å; E486-E1766 WeakPolarHBondContact CG-OE1 3.2Å; E486-E1766 PolarHBondContact N-OE1 3.23Å; T1764-E1766 VanDerWaalsContact C-N 3.34Å; T1764-E1766 WeakPolarHBondContact CB-OE2 3.41Å; T1764-E1766 PolarHBondContact OG1-N 3.34Å; T1764-E1766 PolarHBondContact OG1-OE2 3.21Å; E1766-I1768 PolarHBondContact O-N 3.38Å; E1766-I1768 VanDerWaalsContact O-N 3.12Å |
| 1767 | Q | 90.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | trans | -58.3 | 114.5 | -176.8 | -178.9 | -173.5 | -15.5 | 0 | 0 | 112.3 | K1716 A1761 Y1762 T1764 E1769 | K1716-Q1767 PolarHBondContact NZ-O 2.94Å; A1761-Q1767 PolarHBondContact O-NE2 2.88Å; A1761-Q1767 VanDerWaalsContact O-NE2 3.1Å; Y1762-Q1767 HydrophobicContact CD1-CB 4.45Å; Y1762-Q1767 HydrophobicContact CD1-CG 4.31Å; Y1762-Q1767 WeakPolarHBondContact CD1-O 3.29Å; T1764-Q1767 PolarHBondContact OG1-N 2.96Å; Q1767-E1769 VanDerWaalsContact CG-O 3.25Å; Q1767-E1769 WeakPolarHBondContact CG-O 3.48Å; Q1767-E1769 PolarHBondContact NE2-O 3.47Å | ||
| 1768 | I | 87.5 | Confident | 93.5 | Very high | 154 Ų | 154 | 43.5 Ų | 43.5 | 79% | 0.79 | 23% | 0.226 | S | C | * | . | trans | -79.7 | -56.7 | -180 | -56.6 | 177.4 | 0 | 0 | 0 | 110.8 | E1766 | E1766-I1768 PolarHBondContact O-N 3.38Å; E1766-I1768 VanDerWaalsContact O-N 3.12Å | ||
| 1769 | E | 90.3 | Very high | 93.2 | Very high | 127 Ų | 127 | 44.7 Ų | 44.7 | 59% | 0.593 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -81.5 | 129.6 | -179.5 | -64.2 | -157.8 | 128.4 | 0 | 0 | 112.4 | Q1767 | Q1767-E1769 VanDerWaalsContact CG-O 3.25Å; Q1767-E1769 WeakPolarHBondContact CG-O 3.48Å; Q1767-E1769 PolarHBondContact NE2-O 3.47Å |
| 1770 | P | 93.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 26% | 0.26 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.6 | 176 | 27.5 | -30.9 | 0 | 0 | 0 | 113.1 | Y1760 Y1762 | Y1760-P1770 VanDerWaalsContact CB-CB 3.5Å; Y1760-P1770 HydrophobicContact CD1-CB 4.09Å; Y1760-P1770 HydrophobicContact CD1-CG 4.09Å; Y1760-P1770 HydrophobicContact CD2-CB 3.89Å; Y1760-P1770 HydrophobicContact CD2-CG 3.39Å; Y1760-P1770 HydrophobicContact CE1-CG 4.38Å; Y1760-P1770 HydrophobicContact CE2-CG 3.74Å; Y1760-P1770 HydrophobicContact CG-CB 3.57Å; Y1760-P1770 HydrophobicContact CG-CG 3.58Å; Y1762-P1770 HydrophobicContact CE1-CB 4.08Å; Y1762-P1770 HydrophobicContact CE2-CB 3.91Å |
| 1771 | I | 95.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.9 | 168.4 | -64.1 | 166 | 0 | 0 | 0 | 108.6 | A1761 D1773 | A1761-I1771 HydrophobicContact CB-CB 4.29Å; A1761-I1771 WeakPolarHBondContact CB-O 3.45Å; A1761-I1771 PolarHBondContact N-O 3.03Å; A1761-I1771 PolarHBondContact O-N 2.84Å; I1771-D1773 PolarHBondContact O-N 3.4Å; I1771-D1773 VanDerWaalsContact O-N 3.17Å |
| 1772 | F | 96 | Very high | 92.2 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 105.2 | 172.4 | 179.2 | -99.3 | 0 | 0 | 0 | 110.6 | V1758 Y1760 A1774 T1779 E1793 F1796 K1797 F1800 | V1758-F1772 HydrophobicContact CG2-CD2 4.3Å; V1758-F1772 HydrophobicContact CG2-CE2 3.37Å; V1758-F1772 HydrophobicContact CG2-CZ 3.5Å; Y1760-F1772 HydrophobicContact CD1-CB 4.34Å; Y1760-F1772 HydrophobicContact CD1-CD2 4.13Å; Y1760-F1772 HydrophobicContact CE1-CB 4.17Å; Y1760-F1772 AromaticContact CE1-CD2 3.9Å; Y1760-F1772 HydrophobicContact CE1-CD2 3.9Å; F1772-A1774 HydrophobicContact CE1-CB 3.93Å; F1772-A1774 HydrophobicContact CZ-CB 4.19Å; F1772-T1779 HydrophobicContact CE1-CG2 4.47Å; F1772-T1779 HydrophobicContact CZ-CG2 4.43Å; F1772-E1793 HydrophobicContact CD1-CG 4.07Å; F1772-E1793 HydrophobicContact CE1-CB 4.33Å; F1772-E1793 HydrophobicContact CE1-CG 3.73Å; F1772-E1793 HydrophobicContact CZ-CG 4.21Å; F1772-F1796 HydrophobicContact CE2-CB 3.67Å; F1772-F1796 HydrophobicContact CE2-CG 4.44Å; F1772-F1796 HydrophobicContact CZ-CB 4.04Å; F1772-F1796 HydrophobicContact CZ-CD2 4.42Å; F1772-K1797 HydrophobicContact CD2-CG 3.98Å; F1772-K1797 HydrophobicContact CE2-CG 4.4Å; F1772-K1797 HydrophobicContact CG-CG 4.31Å; F1772-F1800 HydrophobicContact CE2-CE2 4.42Å |
| 1773 | D | 95.7 | Very high | 91.7 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.2 | 177 | -169.8 | 15.1 | 0 | 0 | 0 | 110.5 | K1744 Y1746 V1758 G1759 A1761 I1771 K1775 | K1744-D1773 IonicContact NZ-OD2 2.68Å; K1744-D1773 PolarHBondContact NZ-OD2 2.83Å; Y1746-D1773 HydrophobicContact CE1-CB 3.94Å; Y1746-D1773 PolarHBondContact OH-OD2 3.07Å; V1758-D1773 WeakPolarHBondContact CA-O 3.04Å; G1759-D1773 PolarHBondContact N-O 3.27Å; G1759-D1773 PolarHBondContact O-N 2.93Å; A1761-D1773 HydrophobicContact CB-CB 4.48Å; I1771-D1773 PolarHBondContact O-N 3.4Å; I1771-D1773 VanDerWaalsContact O-N 3.17Å; D1773-K1775 VanDerWaalsContact OD1-CE 3.25Å; D1773-K1775 WeakPolarHBondContact OD1-CE 3.39Å; D1773-K1775 IonicContact OD1-NZ 2.73Å; D1773-K1775 PolarHBondContact OD1-NZ 2.8Å; D1773-K1775 VanDerWaalsContact OD2-CE 3.25Å; D1773-K1775 WeakPolarHBondContact OD2-CE 3.29Å; D1773-K1775 IonicContact OD2-NZ 3.4Å; D1773-K1775 PolarHBondContact OD2-NZ 2.85Å |
| 1774 | A | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 118.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1758 F1772 I1777 T1779 V1780 | V1758-A1774 HydrophobicContact CB-CB 4.32Å; V1758-A1774 HydrophobicContact CG2-CB 4.05Å; F1772-A1774 HydrophobicContact CE1-CB 3.93Å; F1772-A1774 HydrophobicContact CZ-CB 4.19Å; A1774-I1777 HydrophobicContact CB-CD1 3.95Å; A1774-I1777 HydrophobicContact CB-CG1 4.01Å; A1774-T1779 WeakPolarHBondContact CB-OG1 3.16Å; A1774-V1780 WeakPolarHBondContact O-CG1 3.49Å |
| 1775 | K | 93.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137 | 178 | -48 | -53 | -171.8 | -163 | 0 | 110.3 | S578 R1756 Y1757 D1773 I1777 | S578-K1775 PolarHBondContact OG-NZ 3.04Å; S578-K1775 VanDerWaalsContact OG-NZ 3.09Å; R1756-K1775 WeakPolarHBondContact CA-O 3.26Å; Y1757-K1775 HydrophobicContact CD1-CB 4.3Å; Y1757-K1775 HydrophobicContact CD2-CB 4.39Å; Y1757-K1775 HydrophobicContact CD2-CG 4.07Å; Y1757-K1775 HydrophobicContact CE1-CB 3.96Å; Y1757-K1775 HydrophobicContact CE1-CG 4.03Å; Y1757-K1775 HydrophobicContact CE2-CB 4.08Å; Y1757-K1775 HydrophobicContact CE2-CG 3.41Å; Y1757-K1775 VanDerWaalsContact CE2-CG 3.41Å; Y1757-K1775 VanDerWaalsContact CZ-CG 3.4Å; Y1757-K1775 PolarHBondContact N-O 2.99Å; Y1757-K1775 PolarHBondContact O-N 3.24Å; D1773-K1775 VanDerWaalsContact OD1-CE 3.25Å; D1773-K1775 WeakPolarHBondContact OD1-CE 3.39Å; D1773-K1775 IonicContact OD1-NZ 2.73Å; D1773-K1775 PolarHBondContact OD1-NZ 2.8Å; D1773-K1775 VanDerWaalsContact OD2-CE 3.25Å; D1773-K1775 WeakPolarHBondContact OD2-CE 3.29Å; D1773-K1775 IonicContact OD2-NZ 3.4Å; D1773-K1775 PolarHBondContact OD2-NZ 2.85Å; K1775-I1777 PolarHBondContact O-N 3.42Å |
| 1776 | G | 91 | Very high | 91.4 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 67.4 | -26.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | K1755 R1781 | K1755-G1776 VanDerWaalsContact O-CA 3.32Å; K1755-G1776 WeakPolarHBondContact O-CA 3.38Å; G1776-R1781 VanDerWaalsContact O-CD 3.28Å; G1776-R1781 WeakPolarHBondContact O-CD 3.45Å; G1776-R1781 WeakPolarHBondContact O-CG 3.03Å |
| 1777 | I | 92.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -72.2 | 164.4 | -178.2 | 60.3 | 154.2 | 0 | 0 | 0 | 113.5 | R1756 V1758 A1774 K1775 T1779 V1780 R1781 F1796 | R1756-I1777 HydrophobicContact CB-CG2 4.13Å; V1758-I1777 HydrophobicContact CB-CD1 3.79Å; V1758-I1777 HydrophobicContact CG1-CD1 4.02Å; V1758-I1777 HydrophobicContact CG2-CD1 4.11Å; A1774-I1777 HydrophobicContact CB-CD1 3.95Å; A1774-I1777 HydrophobicContact CB-CG1 4.01Å; K1775-I1777 PolarHBondContact O-N 3.42Å; I1777-T1779 HydrophobicContact CD1-CG2 3.9Å; I1777-T1779 WeakPolarHBondContact CG1-OG1 3.47Å; I1777-T1779 PolarHBondContact O-N 3.22Å; I1777-V1780 WeakPolarHBondContact O-CG2 3.34Å; I1777-V1780 PolarHBondContact O-N 3.49Å; I1777-R1781 WeakPolarHBondContact O-CG 3.1Å; I1777-F1796 HydrophobicContact CD1-CD2 4.1Å; I1777-F1796 HydrophobicContact CD1-CE2 3.54Å; I1777-F1796 HydrophobicContact CD1-CZ 4.26Å |
| 1778 | E | 92.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -8 | -171.9 | -78.2 | 84.6 | 160.1 | 0 | 0 | 116.6 | V1788 G1789 L1792 P1959 R1962 | E1778-V1788 HydrophobicContact CB-CG1 3.96Å; E1778-V1788 HydrophobicContact CG-CG1 4.34Å; E1778-G1789 VanDerWaalsContact O-CA 3.31Å; E1778-G1789 WeakPolarHBondContact O-CA 3.27Å; E1778-L1792 HydrophobicContact CB-CD2 3.94Å; E1778-P1959 HydrophobicContact CB-CB 4.29Å; E1778-P1959 HydrophobicContact CB-CG 4.33Å; E1778-P1959 HydrophobicContact CG-CB 4.14Å; E1778-P1959 HydrophobicContact CG-CG 3.81Å; E1778-R1962 IonicContact OE1-CZ 3.66Å; E1778-R1962 IonicContact OE1-NH1 3.19Å; E1778-R1962 PolarHBondContact OE1-NH1 3.36Å; E1778-R1962 IonicContact OE1-NH2 3.99Å; E1778-R1962 PolarHBondContact OE1-NH2 3.34Å; E1778-R1962 IonicContact OE2-CZ 2.62Å; E1778-R1962 IonicContact OE2-NH1 2.63Å; E1778-R1962 IonicContact OE2-NH2 2.94Å; E1778-R1962 PolarHBondContact OE2-NH2 3.47Å |
| 1779 | T | 91 | Very high | 91.9 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -44.5 | 170.9 | 56.3 | 0 | 0 | 0 | 0 | 112 | F1772 A1774 I1777 L1792 E1793 | F1772-T1779 HydrophobicContact CE1-CG2 4.47Å; F1772-T1779 HydrophobicContact CZ-CG2 4.43Å; A1774-T1779 WeakPolarHBondContact CB-OG1 3.16Å; I1777-T1779 HydrophobicContact CD1-CG2 3.9Å; I1777-T1779 WeakPolarHBondContact CG1-OG1 3.47Å; I1777-T1779 PolarHBondContact O-N 3.22Å; T1779-L1792 HydrophobicContact CG2-CB 4.21Å; T1779-L1792 HydrophobicContact CG2-CD2 4.24Å; T1779-L1792 HydrophobicContact CG2-CG 4.14Å; T1779-E1793 HydrophobicContact CG2-CB 4Å |
| 1780 | V | 90 | Very high | 92 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 50% | 0.497 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -12.4 | -178.7 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | A1774 I1777 | A1774-V1780 WeakPolarHBondContact O-CG1 3.49Å; I1777-V1780 WeakPolarHBondContact O-CG2 3.34Å; I1777-V1780 PolarHBondContact O-N 3.49Å |
| 1781 | R | 88.5 | Confident | 91.9 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 36% | 0.358 | 17% | 0.168 | S | C | . | . | trans | -78.4 | 131 | -178.7 | -64.4 | -179.2 | 68.5 | 96.4 | 0.6 | 112.5 | Y1387 G1776 I1777 D1783 | Y1387-R1781 PolarHBondContact OH-O 3.09Å; G1776-R1781 VanDerWaalsContact O-CD 3.28Å; G1776-R1781 WeakPolarHBondContact O-CD 3.45Å; G1776-R1781 WeakPolarHBondContact O-CG 3.03Å; I1777-R1781 WeakPolarHBondContact O-CG 3.1Å; R1781-D1783 VanDerWaalsContact C-N 3.34Å; R1781-D1783 IonicContact CZ-OD1 2.77Å; R1781-D1783 IonicContact NE-OD1 2.7Å; R1781-D1783 PolarHBondContact NE-OD1 3.36Å; R1781-D1783 IonicContact NH2-OD1 3.52Å; R1781-D1783 PolarHBondContact NH2-OD1 2.98Å; R1781-D1783 VanDerWaalsContact NH2-OD1 3.16Å; R1781-D1783 IonicContact NH2-OD2 3.76Å; R1781-D1783 PolarHBondContact NH2-OD2 2.87Å; R1781-D1783 VanDerWaalsContact NH2-OD2 3.15Å; R1781-D1783 PolarHBondContact O-N 3.4Å | ||
| 1782 | R | 89.1 | Confident | 91.8 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 27% | 0.272 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -92 | 12.4 | -179.5 | -59.7 | -177.1 | -75.4 | 156.8 | -16 | 114.5 | S1385 L1386 Y1387 Y1389 S1863 R1901 | S1385-R1782 VanDerWaalsContact O-CD 3.3Å; S1385-R1782 WeakPolarHBondContact O-CD 3.4Å; L1386-R1782 WeakPolarHBondContact O-CD 3.38Å; L1386-R1782 PolarHBondContact O-NH1 3.15Å; Y1387-R1782 HydrophobicContact CD1-CB 4.32Å; Y1387-R1782 HydrophobicContact CE1-CB 4.29Å; Y1389-R1782 PolarHBondContact OH-NH1 2.72Å; R1782-S1863 PolarHBondContact O-OG 3.2Å; R1782-S1863 VanDerWaalsContact O-OG 3.13Å; R1782-R1901 PolarHBondContact O-NH2 3.3Å |
| 1783 | D | 86.3 | Confident | 91.8 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -112.3 | -10.1 | -166.6 | 90.2 | -55.3 | 0 | 0 | 0 | 114.1 | R1781 R1864 | R1781-D1783 VanDerWaalsContact C-N 3.34Å; R1781-D1783 IonicContact CZ-OD1 2.77Å; R1781-D1783 IonicContact NE-OD1 2.7Å; R1781-D1783 PolarHBondContact NE-OD1 3.36Å; R1781-D1783 IonicContact NH2-OD1 3.52Å; R1781-D1783 PolarHBondContact NH2-OD1 2.98Å; R1781-D1783 VanDerWaalsContact NH2-OD1 3.16Å; R1781-D1783 IonicContact NH2-OD2 3.76Å; R1781-D1783 PolarHBondContact NH2-OD2 2.87Å; R1781-D1783 VanDerWaalsContact NH2-OD2 3.15Å; R1781-D1783 PolarHBondContact O-N 3.4Å; D1783-R1864 VanDerWaalsContact CB-CZ 3.43Å; D1783-R1864 VanDerWaalsContact CG-NH2 3.27Å; D1783-R1864 PolarHBondContact O-NE 2.84Å; D1783-R1864 PolarHBondContact O-NH2 2.86Å; D1783-R1864 IonicContact OD2-CZ 2.76Å; D1783-R1864 IonicContact OD2-NH1 2.73Å; D1783-R1864 PolarHBondContact OD2-NH1 2.99Å; D1783-R1864 IonicContact OD2-NH2 3.47Å; D1783-R1864 PolarHBondContact OD2-NH2 2.9Å |
| 1784 | S | 89.7 | Confident | 91.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -85 | -177.6 | 160.1 | 60 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1785 | C | 91.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -86.4 | 140.8 | 166.7 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | F1787 V1788 I1861 I1862 | C1785-F1787 VanDerWaalsContact C-N 3.27Å; C1785-F1787 HydrophobicContact CB-CD1 4.47Å; C1785-F1787 HydrophobicContact CB-CE1 4.43Å; C1785-F1787 PolarHBondContact O-N 3.12Å; C1785-F1787 WeakPolarHBondContact SG-CE1 3.46Å; C1785-V1788 WeakPolarHBondContact O-CB 3.37Å; C1785-V1788 PolarHBondContact O-N 2.7Å; C1785-I1861 WeakPolarHBondContact CA-O 3.37Å; C1785-I1861 WeakPolarHBondContact CB-O 3.41Å; C1785-I1862 HydrophobicContact CB-CG1 3.79Å | ||
| 1786 | P | 91.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 32 Ų | 32 | 13% | 0.13 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.4 | -25.4 | -170.6 | -30 | 33.2 | 0 | 0 | 0 | 118 | Y1387 V1788 H1790 K1859 I1861 | Y1387-P1786 HydrophobicContact CD1-CG 4.08Å; Y1387-P1786 HydrophobicContact CD2-CG 4.36Å; Y1387-P1786 HydrophobicContact CE1-CG 3.86Å; Y1387-P1786 HydrophobicContact CE2-CB 4.46Å; Y1387-P1786 HydrophobicContact CE2-CG 4.17Å; Y1387-P1786 HydrophobicContact CG-CG 4.32Å; P1786-V1788 PolarHBondContact O-N 3.33Å; P1786-H1790 PolarHBondContact O-CD2 3.39Å; P1786-H1790 PolarHBondContact O-N 2.62Å; P1786-K1859 WeakPolarHBondContact CD-O 3.45Å; P1786-I1861 WeakPolarHBondContact CD-O 3.5Å |
| 1787 | F | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -30.1 | 174.3 | 74.1 | -104.9 | 0 | 0 | 0 | 112.4 | C1785 V1791 F1846 L1850 I1855 K1859 Y1951 F1956 | C1785-F1787 VanDerWaalsContact C-N 3.27Å; C1785-F1787 HydrophobicContact CB-CD1 4.47Å; C1785-F1787 HydrophobicContact CB-CE1 4.43Å; C1785-F1787 PolarHBondContact O-N 3.12Å; C1785-F1787 WeakPolarHBondContact SG-CE1 3.46Å; F1787-V1791 VanDerWaalsContact O-CB 3.24Å; F1787-V1791 WeakPolarHBondContact O-CB 3.42Å; F1787-V1791 WeakPolarHBondContact O-CG2 3.44Å; F1787-V1791 PolarHBondContact O-N 3.14Å; F1787-F1846 HydrophobicContact CB-CZ 4.2Å; F1787-F1846 AromaticContact CD2-CE1 3.73Å; F1787-F1846 HydrophobicContact CD2-CE1 3.73Å; F1787-F1846 AromaticContact CD2-CZ 3.55Å; F1787-F1846 HydrophobicContact CD2-CZ 3.55Å; F1787-F1846 AromaticContact CE2-CE1 3.86Å; F1787-F1846 HydrophobicContact CE2-CE1 3.86Å; F1787-F1846 HydrophobicContact CE2-CZ 4.14Å; F1787-F1846 HydrophobicContact CG-CZ 4.01Å; F1787-L1850 HydrophobicContact CE1-CD1 4.38Å; F1787-L1850 HydrophobicContact CZ-CD1 4.36Å; F1787-L1850 HydrophobicContact CZ-CD2 4.19Å; F1787-I1855 HydrophobicContact CB-CG2 4.48Å; F1787-I1855 HydrophobicContact CD1-CG2 4.29Å; F1787-K1859 HydrophobicContact CB-CB 3.79Å; F1787-K1859 HydrophobicContact CB-CD 4.14Å; F1787-K1859 WeakPolarHBondContact CD1-O 3.35Å; F1787-K1859 PolarHBondContact N-O 3.23Å; F1787-Y1951 HydrophobicContact CE1-CD1 4.13Å; F1787-Y1951 HydrophobicContact CE1-CG 4.49Å; F1787-F1956 HydrophobicContact CD2-CD2 4.36Å; F1787-F1956 HydrophobicContact CE2-CB 3.99Å; F1787-F1956 AromaticContact CE2-CD2 3.86Å; F1787-F1956 HydrophobicContact CE2-CD2 3.86Å; F1787-F1956 HydrophobicContact CE2-CG 4.31Å; F1787-F1956 HydrophobicContact CZ-CB 4.47Å |
| 1788 | V | 94.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -51.4 | -176.3 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | E1778 C1785 P1786 L1792 Q1955 P1959 | E1778-V1788 HydrophobicContact CB-CG1 3.96Å; E1778-V1788 HydrophobicContact CG-CG1 4.34Å; C1785-V1788 WeakPolarHBondContact O-CB 3.37Å; C1785-V1788 PolarHBondContact O-N 2.7Å; P1786-V1788 PolarHBondContact O-N 3.33Å; V1788-L1792 WeakPolarHBondContact O-CB 3.38Å; V1788-L1792 PolarHBondContact O-N 3.35Å; V1788-Q1955 HydrophobicContact CG2-CB 4.06Å; V1788-Q1955 WeakPolarHBondContact CG2-O 3.37Å; V1788-P1959 HydrophobicContact CG1-CB 4.42Å; V1788-P1959 HydrophobicContact CG1-CG 3.83Å |
| 1789 | G | 92.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1778 V1791 L1792 E1793 | E1778-G1789 VanDerWaalsContact O-CA 3.31Å; E1778-G1789 WeakPolarHBondContact O-CA 3.27Å; G1789-V1791 PolarHBondContact O-N 2.62Å; G1789-L1792 PolarHBondContact O-N 3.32Å; G1789-E1793 WeakPolarHBondContact O-CB 3.31Å; G1789-E1793 PolarHBondContact O-N 3.29Å |
| 1790 | H | 91.3 | Very high | 92 | Very high | 101 Ų | 101 | 34 Ų | 34 | 47% | 0.468 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | -179.6 | -69.7 | -51.9 | 0 | 0 | 0 | 114.1 | P1786 E1794 | P1786-H1790 PolarHBondContact O-CD2 3.39Å; P1786-H1790 PolarHBondContact O-N 2.62Å; H1790-E1794 PolarHBondContact O-N 3.4Å |
| 1791 | V | 92.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -78.5 | -35.2 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | F1787 G1789 E1793 E1794 Y1795 F1846 F1956 | F1787-V1791 VanDerWaalsContact O-CB 3.24Å; F1787-V1791 WeakPolarHBondContact O-CB 3.42Å; F1787-V1791 WeakPolarHBondContact O-CG2 3.44Å; F1787-V1791 PolarHBondContact O-N 3.14Å; G1789-V1791 PolarHBondContact O-N 2.62Å; V1791-E1793 VanDerWaalsContact C-N 3.34Å; V1791-E1794 PolarHBondContact O-N 2.9Å; V1791-Y1795 HydrophobicContact CG1-CD1 4.11Å; V1791-Y1795 HydrophobicContact CG1-CD2 3.95Å; V1791-Y1795 HydrophobicContact CG1-CE1 3.64Å; V1791-Y1795 HydrophobicContact CG1-CE2 3.45Å; V1791-Y1795 VanDerWaalsContact CG1-CE2 3.45Å; V1791-Y1795 HydrophobicContact CG1-CG 4.26Å; V1791-Y1795 VanDerWaalsContact O-CB 3.3Å; V1791-Y1795 WeakPolarHBondContact O-CB 3.19Å; V1791-Y1795 WeakPolarHBondContact O-CD1 3.22Å; V1791-Y1795 PolarHBondContact O-N 3.1Å; V1791-F1846 HydrophobicContact CG1-CD2 4.29Å; V1791-F1846 HydrophobicContact CG1-CE2 4.48Å; V1791-F1846 HydrophobicContact CG1-CG 4.46Å; V1791-F1846 HydrophobicContact CG2-CD2 4.04Å; V1791-F1846 HydrophobicContact CG2-CE2 3.51Å; V1791-F1846 HydrophobicContact CG2-CZ 3.9Å; V1791-F1956 HydrophobicContact CG1-CE2 3.93Å |
| 1792 | L | 93.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 172.5 | -174.4 | 62.7 | 0 | 0 | 0 | 111.4 | E1778 T1779 V1788 G1789 Y1795 F1796 P1959 I1960 M1963 | E1778-L1792 HydrophobicContact CB-CD2 3.94Å; T1779-L1792 HydrophobicContact CG2-CB 4.21Å; T1779-L1792 HydrophobicContact CG2-CD2 4.24Å; T1779-L1792 HydrophobicContact CG2-CG 4.14Å; V1788-L1792 WeakPolarHBondContact O-CB 3.38Å; V1788-L1792 PolarHBondContact O-N 3.35Å; G1789-L1792 PolarHBondContact O-N 3.32Å; L1792-Y1795 PolarHBondContact O-N 3.04Å; L1792-F1796 HydrophobicContact CD1-CD2 3.97Å; L1792-F1796 HydrophobicContact CD1-CE2 3.54Å; L1792-F1796 HydrophobicContact CD1-CZ 4.22Å; L1792-F1796 HydrophobicContact CD2-CE2 4.02Å; L1792-F1796 HydrophobicContact CG-CD2 3.79Å; L1792-F1796 HydrophobicContact CG-CE2 3.51Å; L1792-F1796 WeakPolarHBondContact O-CD2 3.4Å; L1792-F1796 PolarHBondContact O-N 3.37Å; L1792-P1959 HydrophobicContact CD2-CB 4.05Å; L1792-I1960 HydrophobicContact CD1-CG1 4.47Å; L1792-M1963 HydrophobicContact CD1-SD 3.87Å |
| 1793 | E | 94.9 | Very high | 92 | Very high | 59 Ų | 59 | 31 Ų | 31 | 28% | 0.276 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.5 | -50 | 170.7 | -179.9 | -171.2 | 162.3 | 0 | 0 | 111.8 | F1772 T1779 G1789 V1791 Y1795 F1796 K1797 | F1772-E1793 HydrophobicContact CD1-CG 4.07Å; F1772-E1793 HydrophobicContact CE1-CB 4.33Å; F1772-E1793 HydrophobicContact CE1-CG 3.73Å; F1772-E1793 HydrophobicContact CZ-CG 4.21Å; T1779-E1793 HydrophobicContact CG2-CB 4Å; G1789-E1793 WeakPolarHBondContact O-CB 3.31Å; G1789-E1793 PolarHBondContact O-N 3.29Å; V1791-E1793 VanDerWaalsContact C-N 3.34Å; E1793-Y1795 PolarHBondContact O-N 3.32Å; E1793-F1796 PolarHBondContact O-N 3.3Å; E1793-K1797 HydrophobicContact CG-CD 4.12Å; E1793-K1797 WeakPolarHBondContact O-CB 3.47Å; E1793-K1797 WeakPolarHBondContact O-CG 3.28Å; E1793-K1797 PolarHBondContact O-N 2.93Å; E1793-K1797 WeakPolarHBondContact OE1-CE 3.34Å; E1793-K1797 IonicContact OE1-NZ 2.7Å; E1793-K1797 PolarHBondContact OE1-NZ 2.93Å |
| 1794 | E | 94 | Very high | 91.7 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.2 | -40.7 | 176.2 | -166.8 | -153.7 | 129.1 | 0 | 0 | 111.3 | H1790 V1791 F1798 K1842 | H1790-E1794 PolarHBondContact O-N 3.4Å; V1791-E1794 PolarHBondContact O-N 2.9Å; E1794-F1798 WeakPolarHBondContact O-CB 3.45Å; E1794-F1798 PolarHBondContact O-N 2.94Å; E1794-K1842 IonicContact OE1-NZ 3.18Å; E1794-K1842 PolarHBondContact OE1-NZ 2.83Å |
| 1795 | Y | 94.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.1 | -36.6 | -178.7 | -70.4 | -1.1 | 0 | 0 | 0 | 113.4 | V1791 L1792 E1793 L1799 M1839 K1842 I1843 F1846 F1956 I1960 | V1791-Y1795 HydrophobicContact CG1-CD1 4.11Å; V1791-Y1795 HydrophobicContact CG1-CD2 3.95Å; V1791-Y1795 HydrophobicContact CG1-CE1 3.64Å; V1791-Y1795 HydrophobicContact CG1-CE2 3.45Å; V1791-Y1795 VanDerWaalsContact CG1-CE2 3.45Å; V1791-Y1795 HydrophobicContact CG1-CG 4.26Å; V1791-Y1795 VanDerWaalsContact O-CB 3.3Å; V1791-Y1795 WeakPolarHBondContact O-CB 3.19Å; V1791-Y1795 WeakPolarHBondContact O-CD1 3.22Å; V1791-Y1795 PolarHBondContact O-N 3.1Å; L1792-Y1795 PolarHBondContact O-N 3.04Å; E1793-Y1795 PolarHBondContact O-N 3.32Å; Y1795-L1799 WeakPolarHBondContact O-CB 3.15Å; Y1795-L1799 PolarHBondContact O-N 3.25Å; Y1795-M1839 HydrophobicContact CD2-CE 3.91Å; Y1795-M1839 HydrophobicContact CD2-SD 4.03Å; Y1795-M1839 HydrophobicContact CG-CE 4.07Å; Y1795-M1839 HydrophobicContact CG-SD 3.92Å; Y1795-K1842 HydrophobicContact CD1-CB 4.48Å; Y1795-K1842 HydrophobicContact CD1-CD 4.31Å; Y1795-K1842 HydrophobicContact CE1-CB 3.76Å; Y1795-K1842 HydrophobicContact CE1-CD 4.13Å; Y1795-K1842 VanDerWaalsContact OH-C 3.31Å; Y1795-K1842 PolarHBondContact OH-O 3.41Å; Y1795-I1843 HydrophobicContact CD2-CG1 4.05Å; Y1795-I1843 HydrophobicContact CE2-CD1 4.5Å; Y1795-I1843 HydrophobicContact CE2-CG1 3.49Å; Y1795-I1843 VanDerWaalsContact CE2-CG1 3.49Å; Y1795-F1846 VanDerWaalsContact OH-CB 3.23Å; Y1795-F1846 WeakPolarHBondContact OH-CB 3.2Å; Y1795-F1956 HydrophobicContact CE2-CE2 4.3Å; Y1795-F1956 HydrophobicContact CE2-CZ 4.06Å; Y1795-I1960 HydrophobicContact CD2-CD1 4.16Å; Y1795-I1960 HydrophobicContact CE2-CD1 3.94Å |
| 1796 | F | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 170.7 | -82.9 | -62.2 | 0 | 0 | 0 | 111.1 | L1750 V1758 F1772 I1777 L1792 E1793 F1798 L1799 F1800 M1963 | L1750-F1796 HydrophobicContact CD1-CE1 4.33Å; V1758-F1796 HydrophobicContact CG1-CD1 3.9Å; V1758-F1796 HydrophobicContact CG1-CD2 4.37Å; V1758-F1796 HydrophobicContact CG1-CE1 3.52Å; V1758-F1796 HydrophobicContact CG1-CE2 4.03Å; V1758-F1796 HydrophobicContact CG1-CG 4.33Å; V1758-F1796 HydrophobicContact CG1-CZ 3.61Å; V1758-F1796 HydrophobicContact CG2-CD1 4.48Å; V1758-F1796 HydrophobicContact CG2-CD2 4.33Å; V1758-F1796 HydrophobicContact CG2-CG 4.25Å; F1772-F1796 HydrophobicContact CE2-CB 3.67Å; F1772-F1796 HydrophobicContact CE2-CG 4.44Å; F1772-F1796 HydrophobicContact CZ-CB 4.04Å; F1772-F1796 HydrophobicContact CZ-CD2 4.42Å; I1777-F1796 HydrophobicContact CD1-CD2 4.1Å; I1777-F1796 HydrophobicContact CD1-CE2 3.54Å; I1777-F1796 HydrophobicContact CD1-CZ 4.26Å; L1792-F1796 HydrophobicContact CD1-CD2 3.97Å; L1792-F1796 HydrophobicContact CD1-CE2 3.54Å; L1792-F1796 HydrophobicContact CD1-CZ 4.22Å; L1792-F1796 HydrophobicContact CD2-CE2 4.02Å; L1792-F1796 HydrophobicContact CG-CD2 3.79Å; L1792-F1796 HydrophobicContact CG-CE2 3.51Å; L1792-F1796 WeakPolarHBondContact O-CD2 3.4Å; L1792-F1796 PolarHBondContact O-N 3.37Å; E1793-F1796 PolarHBondContact O-N 3.3Å; F1796-F1798 VanDerWaalsContact C-N 3.31Å; F1796-F1798 PolarHBondContact O-N 3.09Å; F1796-L1799 PolarHBondContact O-N 3.21Å; F1796-F1800 AromaticContact CD1-CE1 3.97Å; F1796-F1800 HydrophobicContact CD1-CE1 3.97Å; F1796-F1800 AromaticContact CD1-CZ 3.92Å; F1796-F1800 HydrophobicContact CD1-CZ 3.92Å; F1796-F1800 WeakPolarHBondContact O-CB 3.38Å; F1796-F1800 WeakPolarHBondContact O-CD1 3.41Å; F1796-F1800 WeakPolarHBondContact O-CG 3.5Å; F1796-F1800 PolarHBondContact O-N 3.5Å; F1796-M1963 HydrophobicContact CD1-CE 3.51Å; F1796-M1963 HydrophobicContact CD1-CG 4.39Å; F1796-M1963 HydrophobicContact CD1-SD 3.98Å; F1796-M1963 HydrophobicContact CE1-CB 4.31Å; F1796-M1963 HydrophobicContact CE1-CE 3.65Å; F1796-M1963 HydrophobicContact CE1-CG 3.55Å; F1796-M1963 HydrophobicContact CE1-SD 3.65Å; F1796-M1963 HydrophobicContact CE2-SD 4.22Å; F1796-M1963 HydrophobicContact CG-CE 4.13Å; F1796-M1963 HydrophobicContact CG-SD 4.38Å; F1796-M1963 HydrophobicContact CZ-CB 3.97Å; F1796-M1963 HydrophobicContact CZ-CE 4.37Å; F1796-M1963 HydrophobicContact CZ-CG 3.69Å; F1796-M1963 HydrophobicContact CZ-SD 3.77Å |
| 1797 | K | 94.8 | Very high | 89.2 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 32% | 0.317 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 176 | -72.9 | 177.7 | 169.3 | 173.3 | 0 | 111.6 | Y1760 F1772 E1793 F1800 N1801 | Y1760-K1797 HydrophobicContact CE1-CG 4.16Å; Y1760-K1797 WeakPolarHBondContact OH-CA 3.5Å; Y1760-K1797 WeakPolarHBondContact OH-CB 3.45Å; Y1760-K1797 PolarHBondContact OH-O 2.73Å; F1772-K1797 HydrophobicContact CD2-CG 3.98Å; F1772-K1797 HydrophobicContact CE2-CG 4.4Å; F1772-K1797 HydrophobicContact CG-CG 4.31Å; E1793-K1797 HydrophobicContact CG-CD 4.12Å; E1793-K1797 WeakPolarHBondContact O-CB 3.47Å; E1793-K1797 WeakPolarHBondContact O-CG 3.28Å; E1793-K1797 PolarHBondContact O-N 2.93Å; E1793-K1797 WeakPolarHBondContact OE1-CE 3.34Å; E1793-K1797 IonicContact OE1-NZ 2.7Å; E1793-K1797 PolarHBondContact OE1-NZ 2.93Å; K1797-F1800 PolarHBondContact O-N 3.35Å; K1797-N1801 WeakPolarHBondContact O-CB 3.5Å; K1797-N1801 PolarHBondContact O-N 3.44Å; K1797-N1801 PolarHBondContact O-OD1 2.99Å; K1797-N1801 VanDerWaalsContact O-OD1 3.12Å |
| 1798 | F | 92.2 | Very high | 87.9 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.3 | -175.5 | -102.8 | 0 | 0 | 0 | 113.1 | E1794 F1796 H1802 N1838 K1842 | E1794-F1798 WeakPolarHBondContact O-CB 3.45Å; E1794-F1798 PolarHBondContact O-N 2.94Å; F1796-F1798 VanDerWaalsContact C-N 3.31Å; F1796-F1798 PolarHBondContact O-N 3.09Å; F1798-H1802 AromaticContact CE1-NE2 3.88Å; F1798-H1802 AromaticContact CZ-NE2 3.82Å; F1798-H1802 PolarHBondContact O-CD2 3.34Å; F1798-N1838 HydrophobicContact CE1-CB 3.53Å; F1798-N1838 HydrophobicContact CZ-CB 3.61Å; F1798-K1842 HydrophobicContact CD1-CD 4.01Å; F1798-K1842 HydrophobicContact CD2-CD 4.47Å; F1798-K1842 HydrophobicContact CE1-CD 4.22Å; F1798-K1842 HydrophobicContact CG-CD 4.15Å |
| 1799 | L | 91.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 173.3 | 176.6 | 63.8 | 0 | 0 | 0 | 111.5 | F1515 Y1795 F1796 N1801 H1802 F1803 A1835 M1963 I1967 W1969 | F1515-L1799 HydrophobicContact CE1-CD1 4.39Å; F1515-L1799 HydrophobicContact CE1-CD2 4.1Å; F1515-L1799 HydrophobicContact CE1-CG 4.31Å; F1515-L1799 HydrophobicContact CE2-CD2 4.45Å; F1515-L1799 HydrophobicContact CZ-CD2 3.93Å; F1515-L1799 HydrophobicContact CZ-CG 4.04Å; Y1795-L1799 WeakPolarHBondContact O-CB 3.15Å; Y1795-L1799 PolarHBondContact O-N 3.25Å; F1796-L1799 PolarHBondContact O-N 3.21Å; L1799-N1801 PolarHBondContact O-N 3.35Å; L1799-H1802 WeakPolarHBondContact O-CB 3.46Å; L1799-H1802 PolarHBondContact O-N 2.93Å; L1799-F1803 HydrophobicContact CD1-CE2 4.04Å; L1799-F1803 HydrophobicContact CG-CE2 4.44Å; L1799-F1803 VanDerWaalsContact O-CD2 3.29Å; L1799-F1803 WeakPolarHBondContact O-CD2 3.38Å; L1799-F1803 WeakPolarHBondContact O-CE2 3.27Å; L1799-A1835 HydrophobicContact CD1-CB 3.9Å; L1799-M1963 HydrophobicContact CB-CE 4.24Å; L1799-M1963 HydrophobicContact CD2-CE 3.59Å; L1799-I1967 HydrophobicContact CD2-CD1 3.61Å; L1799-W1969 HydrophobicContact CD1-CH2 3.75Å; L1799-W1969 HydrophobicContact CD1-CZ3 4.23Å |
| 1800 | F | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.2 | -33.1 | -173.5 | -67.8 | -0.6 | 0 | 0 | 0 | 112.1 | F1515 P1748 V1758 Y1760 F1772 F1796 K1797 H1802 F1803 | F1515-F1800 HydrophobicContact CD2-CE1 4.47Å; F1515-F1800 AromaticContact CE2-CD1 3.96Å; F1515-F1800 HydrophobicContact CE2-CD1 3.96Å; F1515-F1800 AromaticContact CE2-CE1 3.57Å; F1515-F1800 HydrophobicContact CE2-CE1 3.57Å; F1515-F1800 HydrophobicContact CZ-CD1 4.14Å; F1515-F1800 HydrophobicContact CZ-CE1 4.16Å; P1748-F1800 HydrophobicContact CG-CB 3.69Å; P1748-F1800 HydrophobicContact CG-CD1 3.66Å; P1748-F1800 HydrophobicContact CG-CD2 4.19Å; P1748-F1800 HydrophobicContact CG-CE1 4.3Å; P1748-F1800 HydrophobicContact CG-CG 3.59Å; V1758-F1800 HydrophobicContact CG1-CZ 4.24Å; V1758-F1800 HydrophobicContact CG2-CE2 4.06Å; V1758-F1800 HydrophobicContact CG2-CZ 4.24Å; Y1760-F1800 HydrophobicContact CD1-CB 4.48Å; Y1760-F1800 AromaticContact CD1-CD2 3.71Å; Y1760-F1800 HydrophobicContact CD1-CD2 3.71Å; Y1760-F1800 HydrophobicContact CD2-CB 3.71Å; Y1760-F1800 HydrophobicContact CD2-CD2 4.21Å; Y1760-F1800 HydrophobicContact CD2-CG 4.47Å; Y1760-F1800 HydrophobicContact CE1-CB 4.24Å; Y1760-F1800 AromaticContact CE1-CD2 3.94Å; Y1760-F1800 HydrophobicContact CE1-CD2 3.94Å; Y1760-F1800 HydrophobicContact CE2-CB 3.43Å; Y1760-F1800 VanDerWaalsContact CE2-CB 3.43Å; Y1760-F1800 HydrophobicContact CE2-CD2 4.43Å; Y1760-F1800 HydrophobicContact CE2-CG 4.48Å; Y1760-F1800 HydrophobicContact CG-CB 4.24Å; Y1760-F1800 AromaticContact CG-CD2 3.87Å; Y1760-F1800 HydrophobicContact CG-CD2 3.87Å; F1772-F1800 HydrophobicContact CE2-CE2 4.42Å; F1796-F1800 AromaticContact CD1-CE1 3.97Å; F1796-F1800 HydrophobicContact CD1-CE1 3.97Å; F1796-F1800 AromaticContact CD1-CZ 3.92Å; F1796-F1800 HydrophobicContact CD1-CZ 3.92Å; F1796-F1800 WeakPolarHBondContact O-CB 3.38Å; F1796-F1800 WeakPolarHBondContact O-CD1 3.41Å; F1796-F1800 WeakPolarHBondContact O-CG 3.5Å; F1796-F1800 PolarHBondContact O-N 3.5Å; K1797-F1800 PolarHBondContact O-N 3.35Å; F1800-H1802 PolarHBondContact O-N 3.25Å; F1800-H1802 VanDerWaalsContact O-N 3.09Å; F1800-F1803 PolarHBondContact O-N 3.12Å |
| 1801 | N | 91.6 | Very high | 83.1 | Confident | 116 Ų | 116 | 51.6 Ų | 51.6 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12 | 174.4 | -74.2 | 12.4 | 0 | 0 | 0 | 114.1 | Y1760 K1797 L1799 F1803 | Y1760-N1801 VanDerWaalsContact CE2-OD1 3.32Å; Y1760-N1801 WeakPolarHBondContact CE2-OD1 3.44Å; Y1760-N1801 PolarHBondContact OH-OD1 3.28Å; K1797-N1801 WeakPolarHBondContact O-CB 3.5Å; K1797-N1801 PolarHBondContact O-N 3.44Å; K1797-N1801 PolarHBondContact O-OD1 2.99Å; K1797-N1801 VanDerWaalsContact O-OD1 3.12Å; L1799-N1801 PolarHBondContact O-N 3.35Å; N1801-F1803 VanDerWaalsContact C-N 3.28Å |
| 1802 | H | 88.1 | Confident | 81.2 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.4 | 169.9 | -73.9 | -62.7 | 0 | 0 | 0 | 113.7 | F1798 L1799 F1800 T1831 | F1798-H1802 AromaticContact CE1-NE2 3.88Å; F1798-H1802 AromaticContact CZ-NE2 3.82Å; F1798-H1802 PolarHBondContact O-CD2 3.34Å; L1799-H1802 WeakPolarHBondContact O-CB 3.46Å; L1799-H1802 PolarHBondContact O-N 2.93Å; F1800-H1802 PolarHBondContact O-N 3.25Å; F1800-H1802 VanDerWaalsContact O-N 3.09Å; H1802-T1831 HydrophobicContact CB-CG2 4.15Å; H1802-T1831 WeakPolarHBondContact O-CG2 3.34Å |
| 1803 | F | 86.4 | Confident | 79.4 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | trans | -125.7 | 112.9 | -176 | -56.3 | -86.6 | 0 | 0 | 0 | 111.3 | F1515 I1517 Y1747 P1748 L1799 F1800 N1801 L1828 T1831 L1832 | F1515-F1803 HydrophobicContact CE1-CD2 4.46Å; F1515-F1803 AromaticContact CE1-CE2 3.77Å; F1515-F1803 HydrophobicContact CE1-CE2 3.77Å; F1515-F1803 AromaticContact CE1-CZ 3.94Å; F1515-F1803 HydrophobicContact CE1-CZ 3.94Å; F1515-F1803 HydrophobicContact CZ-CD2 4.09Å; F1515-F1803 AromaticContact CZ-CE2 3.81Å; F1515-F1803 HydrophobicContact CZ-CE2 3.81Å; F1515-F1803 HydrophobicContact CZ-CZ 4.39Å; I1517-F1803 HydrophobicContact CB-CD1 4.21Å; I1517-F1803 HydrophobicContact CB-CE1 4.3Å; I1517-F1803 HydrophobicContact CD1-CE1 4.02Å; I1517-F1803 HydrophobicContact CD1-CZ 4.4Å; I1517-F1803 HydrophobicContact CG2-CD1 3.86Å; I1517-F1803 HydrophobicContact CG2-CD2 4.34Å; I1517-F1803 HydrophobicContact CG2-CE1 3.97Å; I1517-F1803 HydrophobicContact CG2-CE2 4.45Å; I1517-F1803 HydrophobicContact CG2-CG 4.06Å; I1517-F1803 HydrophobicContact CG2-CZ 4.28Å; Y1747-F1803 HydrophobicContact CE1-CB 4.02Å; P1748-F1803 HydrophobicContact CB-CB 4.45Å; P1748-F1803 HydrophobicContact CG-CB 4.24Å; P1748-F1803 HydrophobicContact CG-CD2 4.49Å; L1799-F1803 HydrophobicContact CD1-CE2 4.04Å; L1799-F1803 HydrophobicContact CG-CE2 4.44Å; L1799-F1803 VanDerWaalsContact O-CD2 3.29Å; L1799-F1803 WeakPolarHBondContact O-CD2 3.38Å; L1799-F1803 WeakPolarHBondContact O-CE2 3.27Å; F1800-F1803 PolarHBondContact O-N 3.12Å; N1801-F1803 VanDerWaalsContact C-N 3.28Å; F1803-L1828 HydrophobicContact CD1-CD1 3.99Å; F1803-L1828 HydrophobicContact CE1-CD1 3.86Å; F1803-T1831 HydrophobicContact CD1-CG2 4.39Å; F1803-T1831 HydrophobicContact CE1-CG2 3.97Å; F1803-T1831 HydrophobicContact CZ-CG2 4.25Å; F1803-L1832 HydrophobicContact CZ-CD2 3.89Å; F1803-L1832 HydrophobicContact CZ-CG 4.2Å | ||
| 1804 | T | 80.7 | Confident | 77.5 | Confident | 123 Ų | 123 | 59.6 Ų | 59.6 | 76% | 0.755 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 151.5 | 168.1 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | Y1747 | Y1747-T1804 WeakPolarHBondContact CE1-O 3.44Å; Y1747-T1804 PolarHBondContact OH-O 3.37Å; Y1747-T1804 VanDerWaalsContact OH-O 3.05Å |
| 1805 | I | 78.5 | Confident | 75.3 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 132.2 | 176.9 | -54.5 | 175.8 | 0 | 0 | 0 | 108.4 | K1716 Y1747 Y1762 | K1716-I1805 HydrophobicContact CB-CD1 3.97Å; K1716-I1805 HydrophobicContact CB-CG2 4.09Å; K1716-I1805 HydrophobicContact CD-CD1 3.92Å; K1716-I1805 HydrophobicContact CG-CD1 3.78Å; Y1747-I1805 HydrophobicContact CD1-CB 4.18Å; Y1747-I1805 HydrophobicContact CD1-CG1 3.57Å; Y1747-I1805 HydrophobicContact CE1-CG1 4.33Å; Y1747-I1805 HydrophobicContact CG-CG1 3.96Å; Y1762-I1805 HydrophobicContact CD2-CD1 4.02Å; Y1762-I1805 HydrophobicContact CE1-CD1 4.39Å; Y1762-I1805 HydrophobicContact CE2-CD1 3.68Å; Y1762-I1805 HydrophobicContact CE2-CG1 4.29Å |
| 1806 | P | 71.1 | Confident | 73.2 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 29% | 0.292 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 144.7 | 175.4 | -25.5 | 35.1 | 0 | 0 | 0 | 112.1 | G1715 | G1715-P1806 VanDerWaalsContact CA-O 3.3Å; G1715-P1806 WeakPolarHBondContact CA-O 3.44Å |
| 1807 | K | 70.4 | Confident | 71.1 | Confident | 134 Ų | 134 | 65.7 Ų | 65.7 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.8 | 155.4 | -61.1 | 177.1 | -171.4 | 173.5 | 0 | 106.6 | T492 D494 L1809 | T492-K1807 PolarHBondContact OG1-NZ 2.88Å; T492-K1807 VanDerWaalsContact OG1-NZ 3.07Å; D494-K1807 IonicContact OD2-NZ 3.99Å; K1807-L1809 PolarHBondContact O-N 3.05Å |
| 1808 | C | 64.9 | Low | 69 | Low | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 135.1 | 178.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | E1718 N1810 | E1718-C1808 HydrophobicContact CG-CB 3.97Å; C1808-N1810 PolarHBondContact O-N 2.97Å |
| 1809 | L | 64.5 | Low | 66.6 | Low | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 123.8 | 178.6 | -67.6 | 165 | 0 | 0 | 0 | 110.6 | L1694 K1807 E1813 R1814 Y1817 | L1694-L1809 HydrophobicContact CD2-CB 4.4Å; K1807-L1809 PolarHBondContact O-N 3.05Å; L1809-E1813 HydrophobicContact CB-CB 4.38Å; L1809-E1813 HydrophobicContact CD2-CB 3.89Å; L1809-R1814 HydrophobicContact CB-CG 3.98Å; L1809-R1814 PolarHBondContact O-NE 2.83Å; L1809-R1814 PolarHBondContact O-NH2 3.34Å; L1809-Y1817 HydrophobicContact CD1-CD2 3.68Å; L1809-Y1817 HydrophobicContact CD1-CE2 3.67Å; L1809-Y1817 HydrophobicContact CD2-CD2 3.97Å; L1809-Y1817 HydrophobicContact CD2-CE2 3.95Å; L1809-Y1817 HydrophobicContact CG-CE2 4.49Å |
| 1810 | N | 59.2 | Low | 64.2 | Low | 103 Ų | 103 | 76.2 Ų | 76.2 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 162.1 | 173.8 | -63.3 | -84.4 | 0 | 0 | 0 | 110.6 | C1808 V1812 E1813 R1814 | C1808-N1810 PolarHBondContact O-N 2.97Å; N1810-V1812 VanDerWaalsContact C-N 3.27Å; N1810-V1812 PolarHBondContact O-N 2.91Å; N1810-V1812 VanDerWaalsContact O-N 3.14Å; N1810-E1813 WeakPolarHBondContact CB-OE2 3.42Å; N1810-E1813 PolarHBondContact N-OE2 3.39Å; N1810-E1813 PolarHBondContact ND2-OE2 3.34Å; N1810-E1813 CarbonylContact O-C 3.57Å; N1810-E1813 WeakPolarHBondContact O-CA 3.15Å; N1810-E1813 WeakPolarHBondContact O-CB 3.38Å; N1810-E1813 PolarHBondContact O-N 2.93Å; N1810-R1814 WeakPolarHBondContact O-CG 3.38Å; N1810-R1814 PolarHBondContact O-N 2.89Å |
| 1811 | N | 53.9 | Low | 62 | Low | 108 Ų | 108 | 81 Ų | 81 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -51.7 | -42 | -177.9 | -70.6 | -17.1 | 0 | 0 | 0 | 113.9 | E1813 R1814 D1815 | N1811-E1813 VanDerWaalsContact C-N 3.3Å; N1811-E1813 PolarHBondContact O-N 2.9Å; N1811-R1814 WeakPolarHBondContact O-CB 3.47Å; N1811-R1814 PolarHBondContact O-N 3.31Å; N1811-R1814 PolarHBondContact OD1-NH1 3.11Å; N1811-D1815 PolarHBondContact O-N 2.95Å; N1811-D1815 VanDerWaalsContact O-N 3.07Å |
| 1812 | V | 51.9 | Low | 59.7 | Low | 112 Ų | 112 | 81.7 Ų | 81.7 | 68% | 0.679 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.5 | -37.3 | 176 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | N1810 L1816 | N1810-V1812 VanDerWaalsContact C-N 3.27Å; N1810-V1812 PolarHBondContact O-N 2.91Å; N1810-V1812 VanDerWaalsContact O-N 3.14Å; V1812-L1816 HydrophobicContact CG1-CD1 4.46Å; V1812-L1816 WeakPolarHBondContact O-CG 3.45Å; V1812-L1816 PolarHBondContact O-N 2.94Å |
| 1813 | E | 56.5 | Low | 57.6 | Low | 85 Ų | 85 | 84.4 Ų | 84.4 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.3 | -30.8 | 178.5 | -59.6 | 170.2 | 121.1 | 0 | 0 | 111.6 | L1809 N1810 N1811 Y1817 | L1809-E1813 HydrophobicContact CB-CB 4.38Å; L1809-E1813 HydrophobicContact CD2-CB 3.89Å; N1810-E1813 WeakPolarHBondContact CB-OE2 3.42Å; N1810-E1813 PolarHBondContact N-OE2 3.39Å; N1810-E1813 PolarHBondContact ND2-OE2 3.34Å; N1810-E1813 CarbonylContact O-C 3.57Å; N1810-E1813 WeakPolarHBondContact O-CA 3.15Å; N1810-E1813 WeakPolarHBondContact O-CB 3.38Å; N1810-E1813 PolarHBondContact O-N 2.93Å; N1811-E1813 VanDerWaalsContact C-N 3.3Å; N1811-E1813 PolarHBondContact O-N 2.9Å; E1813-Y1817 WeakPolarHBondContact O-CB 2.99Å; E1813-Y1817 PolarHBondContact O-N 3.38Å |
| 1814 | R | 55.4 | Low | 55.8 | Low | 42 Ų | 42 | 86 Ų | 86 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 174.4 | -64.9 | 170.1 | -168.1 | -171.3 | -22.9 | 111.8 | N1692 L1809 N1810 N1811 Y1817 K1818 | N1692-R1814 PolarHBondContact O-NH1 2.92Å; N1692-R1814 PolarHBondContact O-NH2 3.35Å; L1809-R1814 HydrophobicContact CB-CG 3.98Å; L1809-R1814 PolarHBondContact O-NE 2.83Å; L1809-R1814 PolarHBondContact O-NH2 3.34Å; N1810-R1814 WeakPolarHBondContact O-CG 3.38Å; N1810-R1814 PolarHBondContact O-N 2.89Å; N1811-R1814 WeakPolarHBondContact O-CB 3.47Å; N1811-R1814 PolarHBondContact O-N 3.31Å; N1811-R1814 PolarHBondContact OD1-NH1 3.11Å; R1814-Y1817 VanDerWaalsContact O-CB 3.32Å; R1814-Y1817 WeakPolarHBondContact O-CB 3.49Å; R1814-Y1817 PolarHBondContact O-N 3.47Å; R1814-K1818 PolarHBondContact O-N 3.15Å |
| 1815 | D | 47.3 | Very low | 54.5 | Low | 83 Ų | 83 | 84.1 Ų | 84.1 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73 | -38.9 | 178.6 | -66.2 | -32.6 | 0 | 0 | 0 | 111.4 | N1811 Y1817 K1818 D1819 | N1811-D1815 PolarHBondContact O-N 2.95Å; N1811-D1815 VanDerWaalsContact O-N 3.07Å; D1815-Y1817 PolarHBondContact O-N 2.62Å; D1815-K1818 PolarHBondContact O-N 2.99Å; D1815-K1818 VanDerWaalsContact O-N 3.12Å; D1815-K1818 IonicContact OD1-NZ 3.26Å; D1815-K1818 PolarHBondContact OD1-NZ 3.31Å; D1815-D1819 PolarHBondContact O-N 3.25Å |
| 1816 | L | 49.2 | Very low | 53.6 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.9 | -34.1 | 167.1 | -74.7 | 168.3 | 0 | 0 | 0 | 112.8 | V1812 K1818 N1820 | V1812-L1816 HydrophobicContact CG1-CD1 4.46Å; V1812-L1816 WeakPolarHBondContact O-CG 3.45Å; V1812-L1816 PolarHBondContact O-N 2.94Å; L1816-K1818 VanDerWaalsContact C-N 3.33Å; L1816-K1818 PolarHBondContact O-N 3.22Å; L1816-N1820 WeakPolarHBondContact O-CB 3.44Å; L1816-N1820 PolarHBondContact O-N 2.95Å |
| 1817 | Y | 51.2 | Low | 53.4 | Low | 55 Ų | 55 | 92.7 Ų | 92.7 | 22% | 0.216 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.2 | -28.3 | 176.8 | -126.3 | -75.1 | 0 | 0 | 0 | 113.7 | L1809 E1813 R1814 D1815 P1824 | L1809-Y1817 HydrophobicContact CD1-CD2 3.68Å; L1809-Y1817 HydrophobicContact CD1-CE2 3.67Å; L1809-Y1817 HydrophobicContact CD2-CD2 3.97Å; L1809-Y1817 HydrophobicContact CD2-CE2 3.95Å; L1809-Y1817 HydrophobicContact CG-CE2 4.49Å; E1813-Y1817 WeakPolarHBondContact O-CB 2.99Å; E1813-Y1817 PolarHBondContact O-N 3.38Å; R1814-Y1817 VanDerWaalsContact O-CB 3.32Å; R1814-Y1817 WeakPolarHBondContact O-CB 3.49Å; R1814-Y1817 PolarHBondContact O-N 3.47Å; D1815-Y1817 PolarHBondContact O-N 2.62Å; Y1817-P1824 HydrophobicContact CD1-CG 4.38Å; Y1817-P1824 HydrophobicContact CD2-CG 3.72Å; Y1817-P1824 HydrophobicContact CE1-CG 4.1Å; Y1817-P1824 HydrophobicContact CE2-CB 3.75Å; Y1817-P1824 HydrophobicContact CE2-CG 3.39Å; Y1817-P1824 HydrophobicContact CG-CG 4.22Å |
| 1818 | K | 49.7 | Very low | 53.5 | Low | 143 Ų | 143 | 87.8 Ų | 87.8 | 62% | 0.622 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -75.2 | -45.7 | 176.7 | -67.3 | 169 | -169.6 | 155.9 | 0 | 111.3 | R1814 D1815 L1816 | R1814-K1818 PolarHBondContact O-N 3.15Å; D1815-K1818 PolarHBondContact O-N 2.99Å; D1815-K1818 VanDerWaalsContact O-N 3.12Å; D1815-K1818 IonicContact OD1-NZ 3.26Å; D1815-K1818 PolarHBondContact OD1-NZ 3.31Å; L1816-K1818 VanDerWaalsContact C-N 3.33Å; L1816-K1818 PolarHBondContact O-N 3.22Å |
| 1819 | D | 42 | Very low | 54 | Low | 139 Ų | 139 | 89.8 Ų | 89.8 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -87 | -23.7 | -173.6 | -68.5 | -14.4 | 0 | 0 | 0 | 113.5 | D1815 | D1815-D1819 PolarHBondContact O-N 3.25Å |
| 1820 | N | 41 | Very low | 54.8 | Low | 66 Ų | 66 | 93.6 Ų | 93.6 | 35% | 0.353 | 47% | 0.47 | S | S | . | . | trans | -128.7 | 74.7 | -177.4 | -92.7 | -69.3 | 0 | 0 | 0 | 113.2 | L1816 N1822 Q1823 | L1816-N1820 WeakPolarHBondContact O-CB 3.44Å; L1816-N1820 PolarHBondContact O-N 2.95Å; N1820-N1822 PolarHBondContact O-N 3.25Å; N1820-Q1823 HydrophobicContact CB-CB 4.24Å; N1820-Q1823 HydrophobicContact CB-CG 3.95Å; N1820-Q1823 PolarHBondContact O-N 3.42Å | ||
| 1821 | V | 47.9 | Very low | 55.9 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | -22.5 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 114.7 | Y1825 | V1821-Y1825 WeakPolarHBondContact O-CE2 3.41Š|
| 1822 | N | 44.9 | Very low | 57.4 | Low | 130 Ų | 130 | 86.4 Ų | 86.4 | 70% | 0.695 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -18.9 | -173.8 | -63.5 | -47.3 | 0 | 0 | 0 | 115.9 | N1820 | N1820-N1822 PolarHBondContact O-N 3.25Š|
| 1823 | Q | 42.3 | Very low | 59 | Low | 113 Ų | 113 | 86.7 Ų | 86.7 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -69.8 | -40.1 | -169.5 | -76.8 | -173.8 | -5.1 | 0 | 0 | 115.8 | N1820 Y1825 E1826 | N1820-Q1823 HydrophobicContact CB-CB 4.24Å; N1820-Q1823 HydrophobicContact CB-CG 3.95Å; N1820-Q1823 PolarHBondContact O-N 3.42Å; Q1823-Y1825 PolarHBondContact O-N 2.81Å; Q1823-Y1825 VanDerWaalsContact O-N 3.16Å; Q1823-E1826 PolarHBondContact O-N 2.94Å; Q1823-E1826 VanDerWaalsContact O-N 3.1Å |
| 1824 | P | 49.2 | Very low | 60.4 | Low | 50 Ų | 50 | 87 Ų | 87 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.3 | -178.4 | -26.6 | 35.6 | 0 | 0 | 0 | 113.8 | Y1817 E1826 | Y1817-P1824 HydrophobicContact CD1-CG 4.38Å; Y1817-P1824 HydrophobicContact CD2-CG 3.72Å; Y1817-P1824 HydrophobicContact CE1-CG 4.1Å; Y1817-P1824 HydrophobicContact CE2-CB 3.75Å; Y1817-P1824 HydrophobicContact CE2-CG 3.39Å; Y1817-P1824 HydrophobicContact CG-CG 4.22Å; P1824-E1826 VanDerWaalsContact C-N 3.28Å; P1824-E1826 PolarHBondContact O-N 2.63Å |
| 1825 | Y | 54.1 | Low | 62 | Low | 83 Ų | 83 | 85 Ų | 85 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.4 | -14.1 | -178.3 | -55.4 | -79.8 | 0 | 0 | 0 | 113.5 | D1518 K1712 V1821 Q1823 H1827 L1828 D1829 | D1518-Y1825 HydrophobicContact CB-CE1 4.33Å; K1712-Y1825 WeakPolarHBondContact CE-OH 3.49Å; K1712-Y1825 PolarHBondContact NZ-OH 3.48Å; V1821-Y1825 WeakPolarHBondContact O-CE2 3.41Å; Q1823-Y1825 PolarHBondContact O-N 2.81Å; Q1823-Y1825 VanDerWaalsContact O-N 3.16Å; Y1825-H1827 VanDerWaalsContact C-N 3.34Å; Y1825-H1827 PolarHBondContact O-N 3.43Å; Y1825-L1828 HydrophobicContact CD1-CD2 4.29Å; Y1825-L1828 PolarHBondContact O-N 3.48Å; Y1825-D1829 VanDerWaalsContact O-CB 3.23Å; Y1825-D1829 WeakPolarHBondContact O-CB 3.43Å; Y1825-D1829 PolarHBondContact O-N 2.94Å |
| 1826 | E | 59 | Low | 64 | Low | 119 Ų | 119 | 83 Ų | 83 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.7 | -29.9 | -175.4 | -141.3 | -161.6 | -115.2 | 0 | 0 | 112.7 | Q1823 P1824 K1830 | Q1823-E1826 PolarHBondContact O-N 2.94Å; Q1823-E1826 VanDerWaalsContact O-N 3.1Å; P1824-E1826 VanDerWaalsContact C-N 3.28Å; P1824-E1826 PolarHBondContact O-N 2.63Å; E1826-K1830 WeakPolarHBondContact O-CD 3.43Å; E1826-K1830 VanDerWaalsContact O-CE 3.25Å; E1826-K1830 WeakPolarHBondContact O-CE 3.39Å; E1826-K1830 WeakPolarHBondContact O-CG 3.37Å; E1826-K1830 PolarHBondContact O-N 2.83Å; E1826-K1830 WeakPolarHBondContact OE2-CE 3.46Å; E1826-K1830 IonicContact OE2-NZ 3.2Å; E1826-K1830 PolarHBondContact OE2-NZ 3.26Å |
| 1827 | H | 67.3 | Low | 65.9 | Low | 139 Ų | 139 | 82.8 Ų | 82.8 | 64% | 0.644 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -73.9 | -40.7 | 169.8 | -178 | 58.9 | 0 | 0 | 0 | 111.1 | Y1825 K1830 T1831 | Y1825-H1827 VanDerWaalsContact C-N 3.34Å; Y1825-H1827 PolarHBondContact O-N 3.43Å; H1827-K1830 WeakPolarHBondContact O-CB 3.3Å; H1827-K1830 PolarHBondContact O-N 2.94Å; H1827-T1831 PolarHBondContact O-N 3.27Å; H1827-T1831 PolarHBondContact O-OG1 2.87Å; H1827-T1831 VanDerWaalsContact O-OG1 3.11Å |
| 1828 | L | 72.4 | Confident | 67.6 | Low | 31 Ų | 31 | 81.6 Ų | 81.6 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | -178.4 | -157.4 | 64.6 | 0 | 0 | 0 | 112.4 | I1517 F1803 Y1825 T1831 L1832 | I1517-L1828 HydrophobicContact CB-CD1 4.34Å; I1517-L1828 HydrophobicContact CB-CD2 4.41Å; I1517-L1828 HydrophobicContact CD1-CD1 4.14Å; I1517-L1828 HydrophobicContact CD1-CD2 3.76Å; I1517-L1828 HydrophobicContact CD1-CG 3.77Å; I1517-L1828 HydrophobicContact CG1-CD1 4.47Å; I1517-L1828 HydrophobicContact CG1-CD2 3.85Å; I1517-L1828 HydrophobicContact CG1-CG 4.32Å; F1803-L1828 HydrophobicContact CD1-CD1 3.99Å; F1803-L1828 HydrophobicContact CE1-CD1 3.86Å; Y1825-L1828 HydrophobicContact CD1-CD2 4.29Å; Y1825-L1828 PolarHBondContact O-N 3.48Å; L1828-T1831 PolarHBondContact O-N 2.97Å; L1828-L1832 WeakPolarHBondContact O-CB 3.24Å; L1828-L1832 WeakPolarHBondContact O-CG 3.44Å; L1828-L1832 PolarHBondContact O-N 3.28Å |
| 1829 | D | 74.8 | Confident | 69.5 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 35% | 0.348 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -36.4 | 173.4 | 170.4 | 58 | 0 | 0 | 0 | 112.4 | Y1825 K1833 | Y1825-D1829 VanDerWaalsContact O-CB 3.23Å; Y1825-D1829 WeakPolarHBondContact O-CB 3.43Å; Y1825-D1829 PolarHBondContact O-N 2.94Å; D1829-K1833 WeakPolarHBondContact O-CB 3.15Å; D1829-K1833 WeakPolarHBondContact O-CD 3.38Å; D1829-K1833 VanDerWaalsContact O-CG 3.27Å; D1829-K1833 WeakPolarHBondContact O-CG 3.25Å; D1829-K1833 PolarHBondContact O-N 3.41Å; D1829-K1833 WeakPolarHBondContact OD1-CE 3.37Å; D1829-K1833 IonicContact OD1-NZ 2.7Å; D1829-K1833 PolarHBondContact OD1-NZ 2.91Å; D1829-K1833 IonicContact OD2-NZ 2.87Å; D1829-K1833 PolarHBondContact OD2-NZ 3.19Å |
| 1830 | K | 81.4 | Confident | 71.8 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 170.6 | -71.2 | 162.3 | -162.4 | 163.8 | 0 | 111.3 | E1826 H1827 K1833 L1834 | E1826-K1830 WeakPolarHBondContact O-CD 3.43Å; E1826-K1830 VanDerWaalsContact O-CE 3.25Å; E1826-K1830 WeakPolarHBondContact O-CE 3.39Å; E1826-K1830 WeakPolarHBondContact O-CG 3.37Å; E1826-K1830 PolarHBondContact O-N 2.83Å; E1826-K1830 WeakPolarHBondContact OE2-CE 3.46Å; E1826-K1830 IonicContact OE2-NZ 3.2Å; E1826-K1830 PolarHBondContact OE2-NZ 3.26Å; H1827-K1830 WeakPolarHBondContact O-CB 3.3Å; H1827-K1830 PolarHBondContact O-N 2.94Å; K1830-K1833 PolarHBondContact O-N 2.93Å; K1830-L1834 PolarHBondContact O-N 3.01Å |
| 1831 | T | 82.7 | Confident | 74.1 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | H1802 F1803 H1827 L1828 K1833 L1834 A1835 | H1802-T1831 HydrophobicContact CB-CG2 4.15Å; H1802-T1831 WeakPolarHBondContact O-CG2 3.34Å; F1803-T1831 HydrophobicContact CD1-CG2 4.39Å; F1803-T1831 HydrophobicContact CE1-CG2 3.97Å; F1803-T1831 HydrophobicContact CZ-CG2 4.25Å; H1827-T1831 PolarHBondContact O-N 3.27Å; H1827-T1831 PolarHBondContact O-OG1 2.87Å; H1827-T1831 VanDerWaalsContact O-OG1 3.11Å; L1828-T1831 PolarHBondContact O-N 2.97Å; T1831-K1833 PolarHBondContact O-N 3.4Å; T1831-L1834 PolarHBondContact O-N 2.96Å; T1831-A1835 WeakPolarHBondContact O-CB 3.15Å; T1831-A1835 PolarHBondContact O-N 3.35Å |
| 1832 | L | 85.2 | Confident | 76.1 | Confident | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 172.2 | -79.5 | 166.4 | 0 | 0 | 0 | 112.2 | F1515 I1517 F1803 L1828 L1834 A1835 E1836 I1967 W1969 | F1515-L1832 HydrophobicContact CD1-CD2 4.37Å; F1515-L1832 HydrophobicContact CE1-CD2 4.24Å; I1517-L1832 HydrophobicContact CD1-CD1 3.86Å; I1517-L1832 HydrophobicContact CD1-CD2 4.2Å; I1517-L1832 HydrophobicContact CD1-CG 4.19Å; F1803-L1832 HydrophobicContact CZ-CD2 3.89Å; F1803-L1832 HydrophobicContact CZ-CG 4.2Å; L1828-L1832 WeakPolarHBondContact O-CB 3.24Å; L1828-L1832 WeakPolarHBondContact O-CG 3.44Å; L1828-L1832 PolarHBondContact O-N 3.28Å; L1832-L1834 PolarHBondContact O-N 2.91Å; L1832-A1835 CarbonylContact O-C 3.26Å; L1832-A1835 PolarHBondContact O-N 3.36Å; L1832-E1836 PolarHBondContact O-N 3.26Å; L1832-I1967 HydrophobicContact CD2-CG2 4.13Å; L1832-W1969 HydrophobicContact CD2-CZ2 4.32Å; L1832-W1969 WeakPolarHBondContact O-CZ2 3.45Å |
| 1833 | K | 85.9 | Confident | 78.2 | Confident | 118 Ų | 118 | 57.9 Ų | 57.9 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 177.7 | -76.3 | 162.6 | -179.6 | 162.4 | 0 | 112.9 | D1829 K1830 T1831 E1836 Y1837 | D1829-K1833 WeakPolarHBondContact O-CB 3.15Å; D1829-K1833 WeakPolarHBondContact O-CD 3.38Å; D1829-K1833 VanDerWaalsContact O-CG 3.27Å; D1829-K1833 WeakPolarHBondContact O-CG 3.25Å; D1829-K1833 PolarHBondContact O-N 3.41Å; D1829-K1833 WeakPolarHBondContact OD1-CE 3.37Å; D1829-K1833 IonicContact OD1-NZ 2.7Å; D1829-K1833 PolarHBondContact OD1-NZ 2.91Å; D1829-K1833 IonicContact OD2-NZ 2.87Å; D1829-K1833 PolarHBondContact OD2-NZ 3.19Å; K1830-K1833 PolarHBondContact O-N 2.93Å; T1831-K1833 PolarHBondContact O-N 3.4Å; K1833-E1836 PolarHBondContact O-N 2.77Å; K1833-Y1837 PolarHBondContact O-N 3.43Å |
| 1834 | L | 86.4 | Confident | 80.4 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 48% | 0.482 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 172.5 | -176.9 | 60.4 | 0 | 0 | 0 | 111.6 | K1830 T1831 L1832 Y1837 N1838 | K1830-L1834 PolarHBondContact O-N 3.01Å; T1831-L1834 PolarHBondContact O-N 2.96Å; L1832-L1834 PolarHBondContact O-N 2.91Å; L1834-Y1837 WeakPolarHBondContact O-CB 3.48Å; L1834-Y1837 PolarHBondContact O-N 3.04Å; L1834-N1838 VanDerWaalsContact O-CG 3.28Å; L1834-N1838 PolarHBondContact O-N 3.37Å; L1834-N1838 PolarHBondContact O-ND2 3.05Å |
| 1835 | A | 87.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1799 T1831 L1832 N1838 M1839 W1969 | L1799-A1835 HydrophobicContact CD1-CB 3.9Å; T1831-A1835 WeakPolarHBondContact O-CB 3.15Å; T1831-A1835 PolarHBondContact O-N 3.35Å; L1832-A1835 CarbonylContact O-C 3.26Å; L1832-A1835 PolarHBondContact O-N 3.36Å; A1835-N1838 PolarHBondContact O-N 3.44Å; A1835-M1839 WeakPolarHBondContact O-CB 3.45Å; A1835-M1839 PolarHBondContact O-N 3.24Å; A1835-W1969 HydrophobicContact CB-CH2 3.97Å; A1835-W1969 HydrophobicContact CB-CZ2 4.32Å |
| 1836 | E | 90.3 | Very high | 84.1 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.2 | -163.6 | -173.8 | 161.1 | 0 | 0 | 111.4 | I631 L1832 K1833 N1838 R1840 W1969 W1974 | I631-E1836 VanDerWaalsContact CD1-OE1 3.29Å; I631-E1836 WeakPolarHBondContact CD1-OE1 3.16Å; L1832-E1836 PolarHBondContact O-N 3.26Å; K1833-E1836 PolarHBondContact O-N 2.77Å; E1836-N1838 PolarHBondContact O-N 3.02Å; E1836-R1840 VanDerWaalsContact O-CB 3.3Å; E1836-R1840 WeakPolarHBondContact O-CB 3.17Å; E1836-R1840 PolarHBondContact O-N 3.32Å; E1836-W1969 HydrophobicContact CB-CD2 4.32Å; E1836-W1969 HydrophobicContact CB-CH2 4.4Å; E1836-W1969 HydrophobicContact CB-CZ2 3.66Å; E1836-W1969 HydrophobicContact CG-CD2 3.94Å; E1836-W1969 HydrophobicContact CG-CG 4.04Å; E1836-W1969 HydrophobicContact CG-CZ2 4.23Å; E1836-W1969 PolarHBondContact OE2-NE1 3.06Å; E1836-W1974 HydrophobicContact CG-CH2 4.44Å; E1836-W1974 HydrophobicContact CG-CZ2 3.61Å |
| 1837 | Y | 87.9 | Confident | 85.5 | Confident | 84 Ų | 84 | 48 Ų | 48 | 33% | 0.329 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -51.2 | -58 | 174.6 | -179 | -55.3 | 0 | 0 | 0 | 110.5 | H633 T634 K1833 L1834 R1840 N1841 | H633-Y1837 HydrophobicContact CB-CD1 4.49Å; H633-Y1837 HydrophobicContact CB-CE1 4.25Å; H633-Y1837 AromaticContact CD2-CD2 3.21Å; H633-Y1837 WeakPolarHBondContact CD2-CD2 3.26Å; H633-Y1837 AromaticContact CD2-CE2 3.41Å; H633-Y1837 VanDerWaalsContact CD2-CE2 3.41Å; H633-Y1837 WeakPolarHBondContact CD2-CE2 3.39Å; H633-Y1837 AromaticContact CD2-CG 3.58Å; H633-Y1837 AromaticContact CD2-CZ 3.9Å; H633-Y1837 AromaticContact CE1-CD2 3.69Å; H633-Y1837 AromaticContact CE1-CE2 3.13Å; H633-Y1837 WeakPolarHBondContact CE1-CE2 3.33Å; H633-Y1837 AromaticContact CE1-CZ 3.69Å; H633-Y1837 AromaticContact CG-CD2 3.76Å; H633-Y1837 AromaticContact CG-CE1 3.86Å; H633-Y1837 AromaticContact CG-CE2 3.52Å; H633-Y1837 AromaticContact CG-CZ 3.53Å; H633-Y1837 AromaticContact ND1-CD2 3.98Å; H633-Y1837 AromaticContact ND1-CE2 3.31Å; H633-Y1837 VanDerWaalsContact ND1-CE2 3.31Å; H633-Y1837 WeakPolarHBondContact ND1-CE2 3.42Å; H633-Y1837 AromaticContact ND1-CZ 3.34Å; H633-Y1837 VanDerWaalsContact ND1-CZ 3.34Å; H633-Y1837 PolarHBondContact ND1-OH 3.17Å; H633-Y1837 AromaticContact NE2-CD2 3.21Å; H633-Y1837 WeakPolarHBondContact NE2-CD2 3.47Å; H633-Y1837 AromaticContact NE2-CE2 3.2Å; H633-Y1837 WeakPolarHBondContact NE2-CE2 3.33Å; T634-Y1837 PolarHBondContact OG1-OH 3.5Å; T634-Y1837 VanDerWaalsContact OG1-OH 3.05Å; K1833-Y1837 PolarHBondContact O-N 3.43Å; L1834-Y1837 WeakPolarHBondContact O-CB 3.48Å; L1834-Y1837 PolarHBondContact O-N 3.04Å; Y1837-R1840 WeakPolarHBondContact O-CB 3.19Å; Y1837-R1840 PolarHBondContact O-N 2.98Å; Y1837-N1841 VanDerWaalsContact CE1-ND2 3.32Å; Y1837-N1841 WeakPolarHBondContact CE1-ND2 3.35Å; Y1837-N1841 PolarHBondContact O-N 3.38Å |
| 1838 | N | 88.6 | Confident | 86.5 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.2 | -41.7 | -170.7 | -62.4 | -20.5 | 0 | 0 | 0 | 111.6 | F1798 L1834 A1835 E1836 N1841 K1842 | F1798-N1838 HydrophobicContact CE1-CB 3.53Å; F1798-N1838 HydrophobicContact CZ-CB 3.61Å; L1834-N1838 VanDerWaalsContact O-CG 3.28Å; L1834-N1838 PolarHBondContact O-N 3.37Å; L1834-N1838 PolarHBondContact O-ND2 3.05Å; A1835-N1838 PolarHBondContact O-N 3.44Å; E1836-N1838 PolarHBondContact O-N 3.02Å; N1838-N1841 PolarHBondContact O-N 2.99Å; N1838-K1842 PolarHBondContact O-N 2.81Å; N1838-K1842 VanDerWaalsContact O-N 3.11Å |
| 1839 | M | 89.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.6 | 179.3 | 53.8 | 159.3 | 0 | 0 | 111.3 | Y1795 A1835 N1841 K1842 I1843 I1960 M1963 W1969 | Y1795-M1839 HydrophobicContact CD2-CE 3.91Å; Y1795-M1839 HydrophobicContact CD2-SD 4.03Å; Y1795-M1839 HydrophobicContact CG-CE 4.07Å; Y1795-M1839 HydrophobicContact CG-SD 3.92Å; A1835-M1839 WeakPolarHBondContact O-CB 3.45Å; A1835-M1839 PolarHBondContact O-N 3.24Å; M1839-N1841 PolarHBondContact O-N 3.44Å; M1839-K1842 PolarHBondContact O-N 3Å; M1839-I1843 HydrophobicContact CE-CD1 3.78Å; M1839-I1843 HydrophobicContact CE-CG1 4.5Å; M1839-I1843 HydrophobicContact CG-CD1 3.79Å; M1839-I1843 WeakPolarHBondContact O-CB 3.27Å; M1839-I1843 WeakPolarHBondContact O-CD1 3.19Å; M1839-I1843 VanDerWaalsContact O-CG1 3.27Å; M1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; M1839-I1843 PolarHBondContact O-N 3.09Å; M1839-I1843 HydrophobicContact SD-CD1 3.72Å; M1839-I1843 HydrophobicContact SD-CG1 4.13Å; M1839-I1960 HydrophobicContact CE-CG2 4.42Å; M1839-M1963 HydrophobicContact CE-CE 3.61Å; M1839-M1963 HydrophobicContact CE-SD 3.77Å; M1839-W1969 HydrophobicContact CB-CZ3 4.3Å; M1839-W1969 HydrophobicContact CG-CZ3 4.02Å |
| 1840 | R | 90.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.6 | -50.1 | 172.4 | 177.6 | -178.9 | -156.3 | -113.1 | 9.8 | 111.3 | Q630 I631 E1836 Y1837 K1842 I1843 Q1844 W1974 E1977 | Q630-R1840 PolarHBondContact O-NH2 3.38Å; I631-R1840 PolarHBondContact O-NH1 2.92Å; I631-R1840 PolarHBondContact O-NH2 3.05Å; E1836-R1840 VanDerWaalsContact O-CB 3.3Å; E1836-R1840 WeakPolarHBondContact O-CB 3.17Å; E1836-R1840 PolarHBondContact O-N 3.32Å; Y1837-R1840 WeakPolarHBondContact O-CB 3.19Å; Y1837-R1840 PolarHBondContact O-N 2.98Å; R1840-K1842 VanDerWaalsContact C-N 3.35Å; R1840-K1842 PolarHBondContact O-N 2.78Å; R1840-I1843 PolarHBondContact O-N 3Å; R1840-I1843 VanDerWaalsContact O-N 3.14Å; R1840-Q1844 HydrophobicContact CG-CG 4.05Å; R1840-Q1844 VanDerWaalsContact CZ-OE1 3.31Å; R1840-Q1844 VanDerWaalsContact NH1-CD 3.26Å; R1840-Q1844 VanDerWaalsContact NH1-NE2 3.2Å; R1840-Q1844 WeakPolarHBondContact O-CB 3.45Å; R1840-Q1844 PolarHBondContact O-N 2.6Å; R1840-W1974 HydrophobicContact CB-CD2 4.06Å; R1840-W1974 HydrophobicContact CB-CG 4.25Å; R1840-W1974 HydrophobicContact CG-CB 4.06Å; R1840-W1974 HydrophobicContact CG-CD2 3.99Å; R1840-W1974 HydrophobicContact CG-CG 3.65Å; R1840-E1977 IonicContact CZ-OE2 3.52Å; R1840-E1977 IonicContact NH1-OE2 2.71Å; R1840-E1977 PolarHBondContact NH1-OE2 3.34Å; R1840-E1977 IonicContact NH2-OE2 2.76Å; R1840-E1977 PolarHBondContact NH2-OE2 2.91Å |
| 1841 | N | 88.2 | Confident | 87.8 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | -175.4 | -73.6 | -1.5 | 0 | 0 | 0 | 111.5 | H633 T634 Y1837 N1838 M1839 I1843 Q1844 Y1845 | H633-N1841 WeakPolarHBondContact CB-OD1 3.41Å; H633-N1841 PolarHBondContact O-OD1 2.98Å; T634-N1841 PolarHBondContact O-ND2 2.96Å; T634-N1841 PolarHBondContact OG1-ND2 3.29Å; T634-N1841 VanDerWaalsContact OG1-ND2 3.1Å; Y1837-N1841 VanDerWaalsContact CE1-ND2 3.32Å; Y1837-N1841 WeakPolarHBondContact CE1-ND2 3.35Å; Y1837-N1841 PolarHBondContact O-N 3.38Å; N1838-N1841 PolarHBondContact O-N 2.99Å; M1839-N1841 PolarHBondContact O-N 3.44Å; N1841-I1843 PolarHBondContact O-N 3.42Å; N1841-Q1844 PolarHBondContact O-N 3.17Å; N1841-Y1845 WeakPolarHBondContact O-CB 3.33Å; N1841-Y1845 PolarHBondContact O-N 3.26Å |
| 1842 | K | 89.9 | Confident | 87.6 | Confident | 52 Ų | 52 | 42 Ų | 42 | 23% | 0.226 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.1 | -74.7 | -166.1 | 168.5 | -156 | 0 | 112.2 | E1794 Y1795 F1798 N1838 M1839 R1840 F1846 | E1794-K1842 IonicContact OE1-NZ 3.18Å; E1794-K1842 PolarHBondContact OE1-NZ 2.83Å; Y1795-K1842 HydrophobicContact CD1-CB 4.48Å; Y1795-K1842 HydrophobicContact CD1-CD 4.31Å; Y1795-K1842 HydrophobicContact CE1-CB 3.76Å; Y1795-K1842 HydrophobicContact CE1-CD 4.13Å; Y1795-K1842 VanDerWaalsContact OH-C 3.31Å; Y1795-K1842 PolarHBondContact OH-O 3.41Å; F1798-K1842 HydrophobicContact CD1-CD 4.01Å; F1798-K1842 HydrophobicContact CD2-CD 4.47Å; F1798-K1842 HydrophobicContact CE1-CD 4.22Å; F1798-K1842 HydrophobicContact CG-CD 4.15Å; N1838-K1842 PolarHBondContact O-N 2.81Å; N1838-K1842 VanDerWaalsContact O-N 3.11Å; M1839-K1842 PolarHBondContact O-N 3Å; R1840-K1842 VanDerWaalsContact C-N 3.35Å; R1840-K1842 PolarHBondContact O-N 2.78Å; K1842-F1846 WeakPolarHBondContact O-CB 3.32Å; K1842-F1846 PolarHBondContact O-N 3.38Å |
| 1843 | I | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 179.4 | -72.1 | 164.7 | 0 | 0 | 0 | 111.8 | Y1795 M1839 R1840 N1841 F1846 A1847 F1956 I1960 W1974 L1975 | Y1795-I1843 HydrophobicContact CD2-CG1 4.05Å; Y1795-I1843 HydrophobicContact CE2-CD1 4.5Å; Y1795-I1843 HydrophobicContact CE2-CG1 3.49Å; Y1795-I1843 VanDerWaalsContact CE2-CG1 3.49Å; M1839-I1843 HydrophobicContact CE-CD1 3.78Å; M1839-I1843 HydrophobicContact CE-CG1 4.5Å; M1839-I1843 HydrophobicContact CG-CD1 3.79Å; M1839-I1843 WeakPolarHBondContact O-CB 3.27Å; M1839-I1843 WeakPolarHBondContact O-CD1 3.19Å; M1839-I1843 VanDerWaalsContact O-CG1 3.27Å; M1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; M1839-I1843 PolarHBondContact O-N 3.09Å; M1839-I1843 HydrophobicContact SD-CD1 3.72Å; M1839-I1843 HydrophobicContact SD-CG1 4.13Å; R1840-I1843 PolarHBondContact O-N 3Å; R1840-I1843 VanDerWaalsContact O-N 3.14Å; N1841-I1843 PolarHBondContact O-N 3.42Å; I1843-F1846 PolarHBondContact O-N 2.84Å; I1843-A1847 VanDerWaalsContact O-CB 3.28Å; I1843-A1847 WeakPolarHBondContact O-CB 3.03Å; I1843-A1847 PolarHBondContact O-N 3.36Å; I1843-F1956 HydrophobicContact CG2-CE1 4.23Å; I1843-I1960 HydrophobicContact CD1-CG2 3.68Å; I1843-I1960 HydrophobicContact CG1-CD1 4.49Å; I1843-I1960 HydrophobicContact CG1-CG2 4.38Å; I1843-W1974 HydrophobicContact CD1-CE3 3.77Å; I1843-W1974 HydrophobicContact CD1-CZ3 3.41Å; I1843-W1974 VanDerWaalsContact CD1-CZ3 3.41Å; I1843-W1974 HydrophobicContact CG2-CE3 4.41Å; I1843-L1975 HydrophobicContact CG2-CD2 4.17Å |
| 1844 | Q | 88.5 | Confident | 87.2 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 179.1 | -77.1 | -165.5 | -52.6 | 0 | 0 | 111.5 | H633 R1840 N1841 A1847 Y1848 W1974 E1977 | H633-Q1844 PolarHBondContact O-OE1 3.41Å; R1840-Q1844 HydrophobicContact CG-CG 4.05Å; R1840-Q1844 VanDerWaalsContact CZ-OE1 3.31Å; R1840-Q1844 VanDerWaalsContact NH1-CD 3.26Å; R1840-Q1844 VanDerWaalsContact NH1-NE2 3.2Å; R1840-Q1844 WeakPolarHBondContact O-CB 3.45Å; R1840-Q1844 PolarHBondContact O-N 2.6Å; N1841-Q1844 PolarHBondContact O-N 3.17Å; Q1844-A1847 PolarHBondContact O-N 2.98Å; Q1844-Y1848 WeakPolarHBondContact O-CB 3.46Å; Q1844-Y1848 PolarHBondContact O-N 3.31Å; Q1844-W1974 HydrophobicContact CG-CB 4.49Å; Q1844-W1974 WeakPolarHBondContact CG-O 3.07Å; Q1844-W1974 PolarHBondContact NE2-O 3.18Å; Q1844-E1977 PolarHBondContact NE2-OE2 2.74Å |
| 1845 | Y | 89.5 | Confident | 87.2 | Confident | 113 Ų | 113 | 37.4 Ų | 37.4 | 44% | 0.443 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.7 | -179.5 | -100.3 | 0 | 0 | 0 | 111.3 | N1841 A1847 Y1848 Q1849 | N1841-Y1845 WeakPolarHBondContact O-CB 3.33Å; N1841-Y1845 PolarHBondContact O-N 3.26Å; Y1845-A1847 PolarHBondContact O-N 3.22Å; Y1845-Y1848 WeakPolarHBondContact O-CB 3.35Å; Y1845-Y1848 PolarHBondContact O-N 3.31Å; Y1845-Q1849 HydrophobicContact CD1-CG 4.14Å; Y1845-Q1849 HydrophobicContact CE1-CG 3.82Å; Y1845-Q1849 HydrophobicContact CE2-CG 4.32Å; Y1845-Q1849 WeakPolarHBondContact O-CG 3.46Å; Y1845-Q1849 PolarHBondContact O-N 2.87Å; Y1845-Q1849 PolarHBondContact OH-NE2 3.19Å |
| 1846 | F | 90.9 | Very high | 87.2 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 177.3 | -172.6 | -84.8 | 0 | 0 | 0 | 112.2 | F1787 V1791 Y1795 K1842 I1843 Y1848 Q1849 L1850 I1855 F1956 | F1787-F1846 HydrophobicContact CB-CZ 4.2Å; F1787-F1846 AromaticContact CD2-CE1 3.73Å; F1787-F1846 HydrophobicContact CD2-CE1 3.73Å; F1787-F1846 AromaticContact CD2-CZ 3.55Å; F1787-F1846 HydrophobicContact CD2-CZ 3.55Å; F1787-F1846 AromaticContact CE2-CE1 3.86Å; F1787-F1846 HydrophobicContact CE2-CE1 3.86Å; F1787-F1846 HydrophobicContact CE2-CZ 4.14Å; F1787-F1846 HydrophobicContact CG-CZ 4.01Å; V1791-F1846 HydrophobicContact CG1-CD2 4.29Å; V1791-F1846 HydrophobicContact CG1-CE2 4.48Å; V1791-F1846 HydrophobicContact CG1-CG 4.46Å; V1791-F1846 HydrophobicContact CG2-CD2 4.04Å; V1791-F1846 HydrophobicContact CG2-CE2 3.51Å; V1791-F1846 HydrophobicContact CG2-CZ 3.9Å; Y1795-F1846 VanDerWaalsContact OH-CB 3.23Å; Y1795-F1846 WeakPolarHBondContact OH-CB 3.2Å; K1842-F1846 WeakPolarHBondContact O-CB 3.32Å; K1842-F1846 PolarHBondContact O-N 3.38Å; I1843-F1846 PolarHBondContact O-N 2.84Å; F1846-Y1848 PolarHBondContact O-N 2.64Å; F1846-Q1849 PolarHBondContact O-N 3.18Å; F1846-L1850 HydrophobicContact CE1-CB 4.42Å; F1846-L1850 HydrophobicContact CE1-CD2 4.48Å; F1846-L1850 WeakPolarHBondContact O-CB 3.4Å; F1846-L1850 PolarHBondContact O-N 3.17Å; F1846-I1855 HydrophobicContact CD2-CD1 4.01Å; F1846-I1855 HydrophobicContact CE1-CD1 4.29Å; F1846-I1855 HydrophobicContact CE1-CG1 4.48Å; F1846-I1855 HydrophobicContact CE2-CD1 3.38Å; F1846-I1855 HydrophobicContact CE2-CG1 4.31Å; F1846-I1855 HydrophobicContact CZ-CD1 3.54Å; F1846-I1855 HydrophobicContact CZ-CG1 3.97Å; F1846-F1956 HydrophobicContact CB-CZ 4.04Å; F1846-F1956 HydrophobicContact CD1-CD1 4.42Å; F1846-F1956 AromaticContact CD1-CD2 3.86Å; F1846-F1956 HydrophobicContact CD1-CD2 3.86Å; F1846-F1956 AromaticContact CD1-CE1 3.93Å; F1846-F1956 HydrophobicContact CD1-CE1 3.93Å; F1846-F1956 AromaticContact CD1-CE2 3.29Å; F1846-F1956 HydrophobicContact CD1-CE2 3.29Å; F1846-F1956 HydrophobicContact CD1-CG 4.38Å; F1846-F1956 AromaticContact CD1-CZ 3.32Å; F1846-F1956 HydrophobicContact CD1-CZ 3.32Å; F1846-F1956 AromaticContact CE1-CD2 3.77Å; F1846-F1956 HydrophobicContact CE1-CD2 3.77Å; F1846-F1956 AromaticContact CE1-CE2 3.6Å; F1846-F1956 HydrophobicContact CE1-CE2 3.6Å; F1846-F1956 HydrophobicContact CE1-CG 4.38Å; F1846-F1956 HydrophobicContact CE1-CZ 4.1Å; F1846-F1956 HydrophobicContact CG-CE2 4.06Å; F1846-F1956 AromaticContact CG-CZ 3.94Å; F1846-F1956 HydrophobicContact CG-CZ 3.94Å |
| 1847 | A | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1843 Q1844 Y1845 L1850 I1851 L1952 F1956 L1975 L1978 | I1843-A1847 VanDerWaalsContact O-CB 3.28Å; I1843-A1847 WeakPolarHBondContact O-CB 3.03Å; I1843-A1847 PolarHBondContact O-N 3.36Å; Q1844-A1847 PolarHBondContact O-N 2.98Å; Y1845-A1847 PolarHBondContact O-N 3.22Å; A1847-L1850 PolarHBondContact O-N 2.99Å; A1847-I1851 WeakPolarHBondContact O-CB 3.39Å; A1847-I1851 WeakPolarHBondContact O-CD1 3.29Å; A1847-I1851 WeakPolarHBondContact O-CG1 3.43Å; A1847-I1851 PolarHBondContact O-N 3.43Å; A1847-L1952 HydrophobicContact CB-CD1 3.78Å; A1847-F1956 HydrophobicContact CB-CE1 4.29Å; A1847-L1975 HydrophobicContact CB-CD2 3.94Å; A1847-L1978 HydrophobicContact CB-CD1 3.44Å; A1847-L1978 VanDerWaalsContact CB-CD1 3.44Å |
| 1848 | Y | 87 | Confident | 87.1 | Confident | 112 Ų | 112 | 35 Ų | 35 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 171.1 | 175.7 | -83 | 0 | 0 | 0 | 111.4 | Q1844 Y1845 F1846 L1850 I1851 H1852 | Q1844-Y1848 WeakPolarHBondContact O-CB 3.46Å; Q1844-Y1848 PolarHBondContact O-N 3.31Å; Y1845-Y1848 WeakPolarHBondContact O-CB 3.35Å; Y1845-Y1848 PolarHBondContact O-N 3.31Å; F1846-Y1848 PolarHBondContact O-N 2.64Å; Y1848-L1850 VanDerWaalsContact C-N 3.34Å; Y1848-L1850 PolarHBondContact O-N 2.95Å; Y1848-I1851 PolarHBondContact O-N 3.09Å; Y1848-H1852 AromaticContact CD1-ND1 3.72Å; Y1848-H1852 AromaticContact CD2-CE1 3.56Å; Y1848-H1852 AromaticContact CD2-ND1 3.7Å; Y1848-H1852 AromaticContact CE1-CE1 3.98Å; Y1848-H1852 AromaticContact CE1-ND1 3.59Å; Y1848-H1852 AromaticContact CE2-CE1 3.19Å; Y1848-H1852 WeakPolarHBondContact CE2-CE1 3.45Å; Y1848-H1852 AromaticContact CE2-ND1 3.6Å; Y1848-H1852 AromaticContact CG-ND1 3.75Å; Y1848-H1852 AromaticContact CZ-CE1 3.42Å; Y1848-H1852 VanDerWaalsContact CZ-CE1 3.42Å; Y1848-H1852 AromaticContact CZ-ND1 3.52Å; Y1848-H1852 AromaticContact CZ-NE2 3.99Å; Y1848-H1852 PolarHBondContact O-N 3.24Å; Y1848-H1852 PolarHBondContact O-ND1 2.98Å |
| 1849 | Q | 87.6 | Confident | 87.2 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 178.8 | -66.4 | -71.4 | 48.3 | 0 | 0 | 112.2 | Y1845 F1846 G1853 R1854 I1855 | Y1845-Q1849 HydrophobicContact CD1-CG 4.14Å; Y1845-Q1849 HydrophobicContact CE1-CG 3.82Å; Y1845-Q1849 HydrophobicContact CE2-CG 4.32Å; Y1845-Q1849 WeakPolarHBondContact O-CG 3.46Å; Y1845-Q1849 PolarHBondContact O-N 2.87Å; Y1845-Q1849 PolarHBondContact OH-NE2 3.19Å; F1846-Q1849 PolarHBondContact O-N 3.18Å; Q1849-G1853 PolarHBondContact O-N 3.45Å; Q1849-G1853 VanDerWaalsContact O-N 3.15Å; Q1849-R1854 HydrophobicContact CB-CB 4.12Å; Q1849-R1854 WeakPolarHBondContact O-CB 3.44Å; Q1849-R1854 PolarHBondContact O-N 3.46Å; Q1849-R1854 VanDerWaalsContact OE1-CG 3.22Å; Q1849-I1855 HydrophobicContact CB-CD1 4.16Å |
| 1850 | L | 86.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 173.5 | -177.2 | 63.1 | 0 | 0 | 0 | 111.8 | F1787 F1846 A1847 Y1848 H1852 G1853 I1855 Y1948 L1952 F1956 | F1787-L1850 HydrophobicContact CE1-CD1 4.38Å; F1787-L1850 HydrophobicContact CZ-CD1 4.36Å; F1787-L1850 HydrophobicContact CZ-CD2 4.19Å; F1846-L1850 HydrophobicContact CE1-CB 4.42Å; F1846-L1850 HydrophobicContact CE1-CD2 4.48Å; F1846-L1850 WeakPolarHBondContact O-CB 3.4Å; F1846-L1850 PolarHBondContact O-N 3.17Å; A1847-L1850 PolarHBondContact O-N 2.99Å; Y1848-L1850 VanDerWaalsContact C-N 3.34Å; Y1848-L1850 PolarHBondContact O-N 2.95Å; L1850-H1852 VanDerWaalsContact C-N 3.3Å; L1850-H1852 PolarHBondContact O-N 3.44Å; L1850-G1853 PolarHBondContact O-N 3.02Å; L1850-G1853 VanDerWaalsContact O-N 3.11Å; L1850-I1855 HydrophobicContact CB-CG1 4.06Å; L1850-I1855 HydrophobicContact CD1-CB 4.33Å; L1850-I1855 HydrophobicContact CD1-CG1 3.92Å; L1850-Y1948 WeakPolarHBondContact O-CD1 3.4Å; L1850-L1952 HydrophobicContact CD2-CB 4.13Å; L1850-L1952 HydrophobicContact CD2-CD1 4.21Å; L1850-F1956 HydrophobicContact CD2-CB 4.43Å |
| 1851 | I | 82.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.092 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.1 | -73.3 | 165.8 | 0 | 0 | 0 | 111.6 | A1847 Y1848 G1853 L1952 L1978 Y1981 | A1847-I1851 WeakPolarHBondContact O-CB 3.39Å; A1847-I1851 WeakPolarHBondContact O-CD1 3.29Å; A1847-I1851 WeakPolarHBondContact O-CG1 3.43Å; A1847-I1851 PolarHBondContact O-N 3.43Å; Y1848-I1851 PolarHBondContact O-N 3.09Å; I1851-G1853 VanDerWaalsContact C-N 3.31Å; I1851-L1952 HydrophobicContact CD1-CD2 4.06Å; I1851-L1952 HydrophobicContact CG1-CD2 4.24Å; I1851-L1978 HydrophobicContact CD1-CB 4.35Å; I1851-L1978 HydrophobicContact CD1-CD1 4.5Å; I1851-Y1981 HydrophobicContact CG2-CD2 3.79Å; I1851-Y1981 HydrophobicContact CG2-CE2 3.47Å; I1851-Y1981 VanDerWaalsContact CG2-CE2 3.47Å |
| 1852 | H | 78.8 | Confident | 87.6 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 32% | 0.324 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.2 | 178.1 | -70.6 | 86.3 | 0 | 0 | 0 | 114.1 | Y1848 L1850 R1854 | Y1848-H1852 AromaticContact CD1-ND1 3.72Å; Y1848-H1852 AromaticContact CD2-CE1 3.56Å; Y1848-H1852 AromaticContact CD2-ND1 3.7Å; Y1848-H1852 AromaticContact CE1-CE1 3.98Å; Y1848-H1852 AromaticContact CE1-ND1 3.59Å; Y1848-H1852 AromaticContact CE2-CE1 3.19Å; Y1848-H1852 WeakPolarHBondContact CE2-CE1 3.45Å; Y1848-H1852 AromaticContact CE2-ND1 3.6Å; Y1848-H1852 AromaticContact CG-ND1 3.75Å; Y1848-H1852 AromaticContact CZ-CE1 3.42Å; Y1848-H1852 VanDerWaalsContact CZ-CE1 3.42Å; Y1848-H1852 AromaticContact CZ-ND1 3.52Å; Y1848-H1852 AromaticContact CZ-NE2 3.99Å; Y1848-H1852 PolarHBondContact O-N 3.24Å; Y1848-H1852 PolarHBondContact O-ND1 2.98Å; L1850-H1852 VanDerWaalsContact C-N 3.3Å; L1850-H1852 PolarHBondContact O-N 3.44Å; H1852-R1854 HydrophobicContact CB-CG 4.33Å |
| 1853 | G | 78.7 | Confident | 87.7 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 29.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1849 L1850 I1851 Y1948 | Q1849-G1853 PolarHBondContact O-N 3.45Å; Q1849-G1853 VanDerWaalsContact O-N 3.15Å; L1850-G1853 PolarHBondContact O-N 3.02Å; L1850-G1853 VanDerWaalsContact O-N 3.11Å; I1851-G1853 VanDerWaalsContact C-N 3.31Å; G1853-Y1948 WeakPolarHBondContact CA-OH 3.45Å |
| 1854 | R | 83.9 | Confident | 87.8 | Confident | 110 Ų | 110 | 37.8 Ų | 37.8 | 42% | 0.415 | 17% | 0.166 | S | C | . | . | trans | -82.3 | -16.9 | 176.9 | -64.3 | -59.7 | -172.7 | -169.2 | -9 | 113.7 | Q1849 H1852 D2144 | Q1849-R1854 HydrophobicContact CB-CB 4.12Å; Q1849-R1854 WeakPolarHBondContact O-CB 3.44Å; Q1849-R1854 PolarHBondContact O-N 3.46Å; Q1849-R1854 VanDerWaalsContact OE1-CG 3.22Å; H1852-R1854 HydrophobicContact CB-CG 4.33Å; R1854-D2144 IonicContact CZ-OD1 2.78Å; R1854-D2144 IonicContact CZ-OD2 2.66Å; R1854-D2144 IonicContact NH1-OD1 3.69Å; R1854-D2144 PolarHBondContact NH1-OD1 3.48Å; R1854-D2144 IonicContact NH1-OD2 3.42Å; R1854-D2144 PolarHBondContact NH1-OD2 3.14Å; R1854-D2144 IonicContact NH2-OD1 3.61Å; R1854-D2144 PolarHBondContact NH2-OD1 3.11Å; R1854-D2144 VanDerWaalsContact NH2-OD1 3.14Å | ||
| 1855 | I | 86.1 | Confident | 88 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -68.7 | 127.2 | 177.7 | -55.6 | -53.7 | 0 | 0 | 0 | 110.7 | F1787 F1846 Q1849 L1850 F1857 K1859 | F1787-I1855 HydrophobicContact CB-CG2 4.48Å; F1787-I1855 HydrophobicContact CD1-CG2 4.29Å; F1846-I1855 HydrophobicContact CD2-CD1 4.01Å; F1846-I1855 HydrophobicContact CE1-CD1 4.29Å; F1846-I1855 HydrophobicContact CE1-CG1 4.48Å; F1846-I1855 HydrophobicContact CE2-CD1 3.38Å; F1846-I1855 HydrophobicContact CE2-CG1 4.31Å; F1846-I1855 HydrophobicContact CZ-CD1 3.54Å; F1846-I1855 HydrophobicContact CZ-CG1 3.97Å; Q1849-I1855 HydrophobicContact CB-CD1 4.16Å; L1850-I1855 HydrophobicContact CB-CG1 4.06Å; L1850-I1855 HydrophobicContact CD1-CB 4.33Å; L1850-I1855 HydrophobicContact CD1-CG1 3.92Å; I1855-F1857 PolarHBondContact O-N 2.83Å; I1855-K1859 HydrophobicContact CG2-CB 4.44Å |
| 1856 | P | 87.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 19% | 0.188 | 15% | 0.153 | C | C | . | . | trans | -56.5 | 131.5 | 179.5 | -28.8 | 36.9 | 0 | 0 | 0 | 113.7 | H1858 K1859 | P1856-H1858 VanDerWaalsContact C-N 3.28Å; P1856-H1858 VanDerWaalsContact CB-CE1 3.4Å; P1856-H1858 WeakPolarHBondContact CB-CE1 3.35Å; P1856-H1858 WeakPolarHBondContact CB-ND1 3.26Å; P1856-H1858 PolarHBondContact O-N 3.38Å; P1856-H1858 VanDerWaalsContact O-N 3.1Å; P1856-K1859 PolarHBondContact O-N 3.47Å | ||
| 1857 | F | 87.7 | Confident | 88.2 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -49.8 | -42.1 | -174.2 | 175.8 | -105.9 | 0 | 0 | 0 | 114.3 | I1855 K1859 C1860 I1861 Y1905 I1925 P1944 L1946 F2130 | I1855-F1857 PolarHBondContact O-N 2.83Å; F1857-K1859 VanDerWaalsContact C-N 3.26Å; F1857-K1859 PolarHBondContact O-N 3.02Å; F1857-C1860 WeakPolarHBondContact O-CB 3.3Å; F1857-C1860 PolarHBondContact O-N 3.14Å; F1857-I1861 HydrophobicContact CE1-CD1 4.17Å; F1857-I1861 HydrophobicContact CE1-CG1 4.17Å; F1857-I1861 HydrophobicContact CZ-CG1 4.3Å; F1857-Y1905 HydrophobicContact CE2-CG 4.23Å; F1857-Y1905 HydrophobicContact CZ-CD1 4.33Å; F1857-Y1905 HydrophobicContact CZ-CG 4.37Å; F1857-I1925 HydrophobicContact CE1-CD1 3.83Å; F1857-I1925 HydrophobicContact CE2-CD1 4.25Å; F1857-I1925 HydrophobicContact CZ-CD1 3.39Å; F1857-P1944 HydrophobicContact CD2-CG 3.69Å; F1857-P1944 HydrophobicContact CE2-CG 3.36Å; F1857-P1944 HydrophobicContact CG-CG 4.49Å; F1857-P1944 HydrophobicContact CZ-CG 3.93Å; F1857-L1946 HydrophobicContact CD2-CD1 4.49Å; F1857-L1946 HydrophobicContact CD2-CD2 4.13Å; F1857-L1946 HydrophobicContact CE2-CD2 3.94Å; F1857-F2130 HydrophobicContact CD1-CD1 4.25Å; F1857-F2130 HydrophobicContact CE1-CB 4.2Å; F1857-F2130 HydrophobicContact CE1-CD1 4.06Å; F1857-F2130 HydrophobicContact CE1-CG 4.39Å |
| 1858 | H | 88.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -56.4 | -35.7 | 178.8 | 69.5 | -78.1 | 0 | 0 | 0 | 113.8 | P1856 C1860 I1861 F2130 F2131 S2136 | P1856-H1858 VanDerWaalsContact C-N 3.28Å; P1856-H1858 VanDerWaalsContact CB-CE1 3.4Å; P1856-H1858 WeakPolarHBondContact CB-CE1 3.35Å; P1856-H1858 WeakPolarHBondContact CB-ND1 3.26Å; P1856-H1858 PolarHBondContact O-N 3.38Å; P1856-H1858 VanDerWaalsContact O-N 3.1Å; H1858-C1860 PolarHBondContact O-N 3.33Å; H1858-I1861 HydrophobicContact CB-CD1 4.35Å; H1858-I1861 WeakPolarHBondContact O-CB 2.92Å; H1858-I1861 PolarHBondContact O-N 3.12Å; H1858-F2130 WeakPolarHBondContact CB-O 3.33Å; H1858-F2131 WeakPolarHBondContact CB-O 3.2Å; H1858-S2136 WeakPolarHBondContact CB-OG 3.37Å; H1858-S2136 PolarHBondContact N-OG 3.46Å; H1858-S2136 VanDerWaalsContact ND1-CB 3.31Å; H1858-S2136 WeakPolarHBondContact ND1-CB 3.43Å; H1858-S2136 PolarHBondContact ND1-OG 2.8Å |
| 1859 | K | 90.5 | Very high | 88.2 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -73.9 | -14.5 | 179.2 | -57.3 | -161.5 | 172.3 | -167.4 | 0 | 113.2 | P1786 F1787 I1855 P1856 F1857 | P1786-K1859 WeakPolarHBondContact CD-O 3.45Å; F1787-K1859 HydrophobicContact CB-CB 3.79Å; F1787-K1859 HydrophobicContact CB-CD 4.14Å; F1787-K1859 WeakPolarHBondContact CD1-O 3.35Å; F1787-K1859 PolarHBondContact N-O 3.23Å; I1855-K1859 HydrophobicContact CG2-CB 4.44Å; P1856-K1859 PolarHBondContact O-N 3.47Å; F1857-K1859 VanDerWaalsContact C-N 3.26Å; F1857-K1859 PolarHBondContact O-N 3.02Å |
| 1860 | C | 91.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -95.6 | 3.7 | 177.6 | -59 | 0 | 0 | 0 | 0 | 113.4 | F1857 H1858 L1946 Y1951 | F1857-C1860 WeakPolarHBondContact O-CB 3.3Å; F1857-C1860 PolarHBondContact O-N 3.14Å; H1858-C1860 PolarHBondContact O-N 3.33Å; C1860-L1946 HydrophobicContact CB-CD1 3.72Å; C1860-Y1951 HydrophobicContact CB-CE1 4.21Å; C1860-Y1951 WeakPolarHBondContact O-CE1 3.29Å; C1860-Y1951 PolarHBondContact O-OH 3.02Å |
| 1861 | I | 91.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -73.9 | 140.1 | 176.3 | -67.6 | 173.1 | 0 | 0 | 0 | 109.6 | C1785 P1786 F1857 H1858 V1903 I1922 F2131 | C1785-I1861 WeakPolarHBondContact CA-O 3.37Å; C1785-I1861 WeakPolarHBondContact CB-O 3.41Å; P1786-I1861 WeakPolarHBondContact CD-O 3.5Å; F1857-I1861 HydrophobicContact CE1-CD1 4.17Å; F1857-I1861 HydrophobicContact CE1-CG1 4.17Å; F1857-I1861 HydrophobicContact CZ-CG1 4.3Å; H1858-I1861 HydrophobicContact CB-CD1 4.35Å; H1858-I1861 WeakPolarHBondContact O-CB 2.92Å; H1858-I1861 PolarHBondContact O-N 3.12Å; I1861-V1903 HydrophobicContact CG2-CG1 3.16Å; I1861-I1922 HydrophobicContact CD1-CD1 3.56Å; I1861-I1922 HydrophobicContact CG1-CD1 3.88Å; I1861-I1922 HydrophobicContact CG2-CD1 3.96Å; I1861-F2131 HydrophobicContact CB-CE1 4.5Å; I1861-F2131 HydrophobicContact CD1-CD1 4Å; I1861-F2131 HydrophobicContact CD1-CE1 4Å; I1861-F2131 HydrophobicContact CD1-CG 4.38Å; I1861-F2131 HydrophobicContact CD1-CZ 4.35Å; I1861-F2131 HydrophobicContact CG2-CE1 3.84Å; I1861-F2131 HydrophobicContact CG2-CZ 4.05Å | ||
| 1862 | I | 93.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144 | 175.6 | -57.8 | 169.8 | 0 | 0 | 0 | 109.6 | C1785 Y1904 Y1950 Y1951 | C1785-I1862 HydrophobicContact CB-CG1 3.79Å; I1862-Y1904 HydrophobicContact CB-CD2 4.17Å; I1862-Y1904 HydrophobicContact CB-CE1 4.43Å; I1862-Y1904 HydrophobicContact CB-CE2 3.78Å; I1862-Y1904 HydrophobicContact CD1-CE2 4.13Å; I1862-Y1904 HydrophobicContact CG2-CE1 4.05Å; I1862-Y1904 HydrophobicContact CG2-CE2 3.82Å; I1862-Y1904 VanDerWaalsContact CG2-CZ 3.48Å; I1862-Y1904 WeakPolarHBondContact CG2-OH 3.48Å; I1862-Y1904 PolarHBondContact N-O 3.46Å; I1862-Y1904 PolarHBondContact O-N 3.26Å; I1862-Y1950 HydrophobicContact CD1-CE1 3.92Å; I1862-Y1951 HydrophobicContact CD1-CE1 4.09Å |
| 1863 | S | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138 | 177.8 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | Y1387 R1782 R1901 | Y1387-S1863 WeakPolarHBondContact O-CB 3.5Å; Y1387-S1863 PolarHBondContact O-OG 3.37Å; R1782-S1863 PolarHBondContact O-OG 3.2Å; R1782-S1863 VanDerWaalsContact O-OG 3.13Å; S1863-R1901 PolarHBondContact O-NH2 3.41Å; S1863-R1901 PolarHBondContact OG-NE 3.27Å; S1863-R1901 PolarHBondContact OG-NH2 2.7Å |
| 1864 | R | 92.4 | Very high | 89.1 | Confident | 91 Ų | 91 | 53 Ų | 53 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141 | 169.9 | -68 | -69.2 | 176.6 | 156.1 | -9.4 | 109.9 | D1783 A1880 R1901 V1902 Y1904 | D1783-R1864 VanDerWaalsContact CB-CZ 3.43Å; D1783-R1864 VanDerWaalsContact CG-NH2 3.27Å; D1783-R1864 PolarHBondContact O-NE 2.84Å; D1783-R1864 PolarHBondContact O-NH2 2.86Å; D1783-R1864 IonicContact OD2-CZ 2.76Å; D1783-R1864 IonicContact OD2-NH1 2.73Å; D1783-R1864 PolarHBondContact OD2-NH1 2.99Å; D1783-R1864 IonicContact OD2-NH2 3.47Å; D1783-R1864 PolarHBondContact OD2-NH2 2.9Å; R1864-A1880 HydrophobicContact CB-CB 4.37Å; R1864-R1901 CarbonylContact O-C 3.53Å; R1864-V1902 PolarHBondContact N-O 3.01Å; R1864-V1902 VanDerWaalsContact N-O 3.09Å; R1864-V1902 PolarHBondContact O-N 3.32Å; R1864-Y1904 HydrophobicContact CB-CE1 4.19Å; R1864-Y1904 HydrophobicContact CG-CE1 3.88Å |
| 1865 | P | 92.4 | Very high | 89 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.8 | 176.6 | 28.6 | -35 | 0 | 0 | 0 | 111.5 | W1867 | P1865-W1867 HydrophobicContact CB-CH2 4.45Å; P1865-W1867 HydrophobicContact CB-CZ2 4.12Å; P1865-W1867 HydrophobicContact CG-CZ2 3.95Å |
| 1866 | Y | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -107.6 | 132.1 | 173.3 | 177.4 | -112.1 | 0 | 0 | 0 | 111.3 | G1868 L1869 Y1872 L1881 A1884 E1895 P1896 G1899 E1900 V1902 | Y1866-G1868 VanDerWaalsContact CE1-CA 3.47Å; Y1866-L1869 PolarHBondContact OH-N 2.96Å; Y1866-L1869 VanDerWaalsContact OH-N 3.16Å; Y1866-Y1872 AromaticContact CD2-CE2 3.85Å; Y1866-Y1872 HydrophobicContact CD2-CE2 3.85Å; Y1866-Y1872 AromaticContact CE2-CE2 3.76Å; Y1866-Y1872 HydrophobicContact CE2-CE2 3.76Å; Y1866-L1881 HydrophobicContact CE2-CD1 3.98Å; Y1866-A1884 HydrophobicContact CD2-CB 4.08Å; Y1866-A1884 HydrophobicContact CE1-CB 4.42Å; Y1866-A1884 HydrophobicContact CE2-CB 3.53Å; Y1866-E1895 HydrophobicContact CE1-CG 3.96Å; Y1866-E1895 WeakPolarHBondContact CE1-OE1 3.37Å; Y1866-E1895 PolarHBondContact OH-OE1 3.28Å; Y1866-P1896 HydrophobicContact CD1-CB 3.78Å; Y1866-P1896 HydrophobicContact CD1-CG 4.34Å; Y1866-P1896 VanDerWaalsContact CD1-O 3.23Å; Y1866-P1896 WeakPolarHBondContact CD1-O 3.36Å; Y1866-P1896 HydrophobicContact CE1-CB 4.37Å; Y1866-P1896 WeakPolarHBondContact CE1-O 3.5Å; Y1866-P1896 HydrophobicContact CG-CB 4.22Å; Y1866-G1899 PolarHBondContact O-N 3.1Å; Y1866-E1900 PolarHBondContact N-O 2.9Å; Y1866-V1902 HydrophobicContact CG-CG2 4.24Å | ||
| 1867 | W | 90.7 | Very high | 88.8 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 37% | 0.367 | 32% | 0.317 | S | S | . | . | trans | -100.4 | 1 | -172.4 | -61.3 | 126.8 | 0 | 0 | 0 | 114.7 | N589 P1865 S1871 Y1872 | N589-W1867 WeakPolarHBondContact OD1-CZ3 3.48Å; P1865-W1867 HydrophobicContact CB-CH2 4.45Å; P1865-W1867 HydrophobicContact CB-CZ2 4.12Å; P1865-W1867 HydrophobicContact CG-CZ2 3.95Å; W1867-S1871 VanDerWaalsContact O-CB 3.23Å; W1867-S1871 WeakPolarHBondContact O-CB 3.35Å; W1867-S1871 PolarHBondContact O-OG 3.43Å; W1867-Y1872 HydrophobicContact CB-CE2 4.12Å; W1867-Y1872 PolarHBondContact N-OH 3.29Å; W1867-Y1872 VanDerWaalsContact N-OH 3.1Å | ||
| 1868 | G | 88.5 | Confident | 88.9 | Confident | 11 Ų | 11 | 59 Ų | 59 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | trans | 87.8 | 150.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1866 S1870 S1871 Y1872 | Y1866-G1868 VanDerWaalsContact CE1-CA 3.47Å; G1868-S1870 VanDerWaalsContact C-N 3.27Å; G1868-S1870 PolarHBondContact O-N 2.95Å; G1868-S1871 PolarHBondContact O-N 3.24Å; G1868-S1871 VanDerWaalsContact O-N 3.13Å; G1868-Y1872 VanDerWaalsContact O-CD2 3.24Å; G1868-Y1872 WeakPolarHBondContact O-CD2 3.43Å; G1868-Y1872 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1869 | L | 86.4 | Confident | 89.1 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -53.4 | -39.4 | -173.6 | -97 | 164.4 | 0 | 0 | 0 | 114.3 | Y1866 L1881 K1885 L1888 | Y1866-L1869 PolarHBondContact OH-N 2.96Å; Y1866-L1869 VanDerWaalsContact OH-N 3.16Å; L1869-L1881 HydrophobicContact CD2-CD1 4.13Å; L1869-K1885 HydrophobicContact CD2-CG 4.37Å; L1869-L1888 HydrophobicContact CD1-CD1 3.73Å; L1869-L1888 HydrophobicContact CG-CD1 4.49Å |
| 1870 | S | 85.6 | Confident | 89.2 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 83% | 0.825 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -78.2 | -19.1 | -177.5 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | G1868 Y1872 | G1868-S1870 VanDerWaalsContact C-N 3.27Å; G1868-S1870 PolarHBondContact O-N 2.95Å; S1870-Y1872 VanDerWaalsContact C-N 3.3Å; S1870-Y1872 PolarHBondContact O-N 3.1Å |
| 1871 | S | 87.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -85.1 | 0.6 | -176.1 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | W1867 G1868 | W1867-S1871 VanDerWaalsContact O-CB 3.23Å; W1867-S1871 WeakPolarHBondContact O-CB 3.35Å; W1867-S1871 PolarHBondContact O-OG 3.43Å; G1868-S1871 PolarHBondContact O-N 3.24Å; G1868-S1871 VanDerWaalsContact O-N 3.13Å |
| 1872 | Y | 88.4 | Confident | 89.3 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 14% | 0.137 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -105.8 | 132.2 | 175.1 | -63.4 | -82.7 | 0 | 0 | 0 | 110 | Y1866 W1867 G1868 S1870 T1876 A1878 L1881 | Y1866-Y1872 AromaticContact CD2-CE2 3.85Å; Y1866-Y1872 HydrophobicContact CD2-CE2 3.85Å; Y1866-Y1872 AromaticContact CE2-CE2 3.76Å; Y1866-Y1872 HydrophobicContact CE2-CE2 3.76Å; W1867-Y1872 HydrophobicContact CB-CE2 4.12Å; W1867-Y1872 PolarHBondContact N-OH 3.29Å; W1867-Y1872 VanDerWaalsContact N-OH 3.1Å; G1868-Y1872 VanDerWaalsContact O-CD2 3.24Å; G1868-Y1872 WeakPolarHBondContact O-CD2 3.43Å; G1868-Y1872 WeakPolarHBondContact O-CE2 3.4Å; S1870-Y1872 VanDerWaalsContact C-N 3.3Å; S1870-Y1872 PolarHBondContact O-N 3.1Å; Y1872-T1876 HydrophobicContact CD1-CG2 4.14Å; Y1872-A1878 HydrophobicContact CD1-CB 4.42Å; Y1872-A1878 HydrophobicContact CE1-CB 4.03Å; Y1872-L1881 HydrophobicContact CD1-CD2 4.29Å; Y1872-L1881 HydrophobicContact CD2-CB 4.34Å; Y1872-L1881 HydrophobicContact CD2-CD1 3.72Å; Y1872-L1881 HydrophobicContact CD2-CD2 3.91Å; Y1872-L1881 HydrophobicContact CD2-CG 4.2Å; Y1872-L1881 HydrophobicContact CE2-CB 4.15Å; Y1872-L1881 HydrophobicContact CE2-CD1 3.97Å; Y1872-L1881 HydrophobicContact CE2-CG 4.44Å; Y1872-L1881 HydrophobicContact CG-CD1 4.44Å; Y1872-L1881 HydrophobicContact CG-CD2 3.76Å; Y1872-L1881 HydrophobicContact CG-CG 4.5Å |
| 1873 | K | 88.6 | Confident | 89.2 | Confident | 168 Ų | 168 | 59.1 Ų | 59.1 | 73% | 0.73 | 33% | 0.33 | S | S | * | . | trans | -54.2 | 140.5 | 174.8 | -68.6 | -176.9 | 178.9 | -177.7 | 0 | 110.1 | G1875 T1876 | K1873-G1875 PolarHBondContact O-N 3.25Å; K1873-T1876 VanDerWaalsContact O-CB 3.26Å; K1873-T1876 WeakPolarHBondContact O-CB 3.4Å; K1873-T1876 PolarHBondContact O-N 3.19Å; K1873-T1876 PolarHBondContact O-OG1 3.47Å | ||
| 1874 | P | 83 | Confident | 89.1 | Confident | 136 Ų | 136 | 59 Ų | 59 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 133.3 | 176 | -28.7 | 36 | 0 | 0 | 0 | 111.6 | T1876 | P1874-T1876 PolarHBondContact O-N 3.31Š|
| 1875 | G | 82.8 | Confident | 89 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -8.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1873 F1877 | K1873-G1875 PolarHBondContact O-N 3.25Å; G1875-F1877 WeakPolarHBondContact O-CD2 3.28Å; G1875-F1877 VanDerWaalsContact O-CE2 3.3Å; G1875-F1877 WeakPolarHBondContact O-CE2 3.44Å; G1875-F1877 PolarHBondContact O-N 3.05Å |
| 1876 | T | 86.3 | Confident | 88.7 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | trans | -59.7 | 135.6 | 179.8 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | Y1872 K1873 P1874 A1878 | Y1872-T1876 HydrophobicContact CD1-CG2 4.14Å; K1873-T1876 VanDerWaalsContact O-CB 3.26Å; K1873-T1876 WeakPolarHBondContact O-CB 3.4Å; K1873-T1876 PolarHBondContact O-N 3.19Å; K1873-T1876 PolarHBondContact O-OG1 3.47Å; P1874-T1876 PolarHBondContact O-N 3.31Å; T1876-A1878 HydrophobicContact CG2-CB 4.36Å | ||
| 1877 | F | 83.4 | Confident | 88.3 | Confident | 166 Ų | 166 | 61 Ų | 61 | 73% | 0.728 | 34% | 0.336 | S | S | * | . | trans | -108.5 | 45.6 | -170.6 | -77.6 | -61.7 | 0 | 0 | 0 | 114.4 | G1875 L1916 | G1875-F1877 WeakPolarHBondContact O-CD2 3.28Å; G1875-F1877 VanDerWaalsContact O-CE2 3.3Å; G1875-F1877 WeakPolarHBondContact O-CE2 3.44Å; G1875-F1877 PolarHBondContact O-N 3.05Å; F1877-L1916 HydrophobicContact CB-CD2 3.84Å; F1877-L1916 HydrophobicContact CD1-CD2 3.69Å; F1877-L1916 HydrophobicContact CG-CD2 4.18Å; F1877-L1916 WeakPolarHBondContact O-CD1 3.5Å | ||
| 1878 | A | 90.3 | Very high | 88.1 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | trans | -74.6 | 140.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1872 T1876 A1880 L1881 Q1882 | Y1872-A1878 HydrophobicContact CD1-CB 4.42Å; Y1872-A1878 HydrophobicContact CE1-CB 4.03Å; T1876-A1878 HydrophobicContact CG2-CB 4.36Å; A1878-A1880 PolarHBondContact O-N 2.81Å; A1878-L1881 HydrophobicContact CB-CB 4.09Å; A1878-L1881 PolarHBondContact O-N 3.19Å; A1878-Q1882 PolarHBondContact O-N 2.87Å | ||
| 1879 | P | 91.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 177.1 | -28.4 | 36.2 | 0 | 0 | 0 | 114.7 | Q1882 V1883 Y1904 L1916 V1919 | P1879-Q1882 PolarHBondContact O-N 3.06Å; P1879-V1883 PolarHBondContact O-N 3.32Å; P1879-Y1904 HydrophobicContact CB-CD1 4.4Å; P1879-Y1904 HydrophobicContact CB-CE1 3.8Å; P1879-Y1904 HydrophobicContact CB-CE2 4.11Å; P1879-L1916 HydrophobicContact CB-CD1 4.41Å; P1879-L1916 HydrophobicContact CG-CD1 4.21Å; P1879-V1919 HydrophobicContact CB-CG1 4.39Å; P1879-V1919 HydrophobicContact CB-CG2 4.39Å |
| 1880 | A | 92.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1864 A1878 Q1882 V1883 A1884 V1902 | R1864-A1880 HydrophobicContact CB-CB 4.37Å; A1878-A1880 PolarHBondContact O-N 2.81Å; A1880-Q1882 VanDerWaalsContact C-N 3.33Å; A1880-Q1882 PolarHBondContact O-N 3.27Å; A1880-V1883 PolarHBondContact O-N 3.29Å; A1880-V1883 VanDerWaalsContact O-N 3.14Å; A1880-A1884 PolarHBondContact O-N 3.41Å; A1880-V1902 HydrophobicContact CB-CB 3.94Å; A1880-V1902 HydrophobicContact CB-CG1 4.22Å; A1880-V1902 HydrophobicContact CB-CG2 4.44Å |
| 1881 | L | 92.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.7 | -178.2 | 63 | 0 | 0 | 0 | 112.2 | Y1866 L1869 Y1872 A1878 V1883 A1884 K1885 | Y1866-L1881 HydrophobicContact CE2-CD1 3.98Å; L1869-L1881 HydrophobicContact CD2-CD1 4.13Å; Y1872-L1881 HydrophobicContact CD1-CD2 4.29Å; Y1872-L1881 HydrophobicContact CD2-CB 4.34Å; Y1872-L1881 HydrophobicContact CD2-CD1 3.72Å; Y1872-L1881 HydrophobicContact CD2-CD2 3.91Å; Y1872-L1881 HydrophobicContact CD2-CG 4.2Å; Y1872-L1881 HydrophobicContact CE2-CB 4.15Å; Y1872-L1881 HydrophobicContact CE2-CD1 3.97Å; Y1872-L1881 HydrophobicContact CE2-CG 4.44Å; Y1872-L1881 HydrophobicContact CG-CD1 4.44Å; Y1872-L1881 HydrophobicContact CG-CD2 3.76Å; Y1872-L1881 HydrophobicContact CG-CG 4.5Å; A1878-L1881 HydrophobicContact CB-CB 4.09Å; A1878-L1881 PolarHBondContact O-N 3.19Å; L1881-V1883 VanDerWaalsContact C-N 3.3Å; L1881-V1883 PolarHBondContact O-N 2.9Å; L1881-A1884 PolarHBondContact O-N 2.89Å; L1881-K1885 HydrophobicContact CD1-CD 4.25Å; L1881-K1885 HydrophobicContact CD1-CG 4.28Å; L1881-K1885 HydrophobicContact CG-CD 4.09Å; L1881-K1885 WeakPolarHBondContact O-CB 3.37Å; L1881-K1885 VanDerWaalsContact O-CG 3.32Å; L1881-K1885 WeakPolarHBondContact O-CG 3.27Å; L1881-K1885 PolarHBondContact O-N 3.14Å |
| 1882 | Q | 91.2 | Very high | 86.9 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.8 | -31.5 | 175.9 | 178.4 | 60.5 | 89 | 0 | 0 | 112.3 | A1878 P1879 A1880 R1886 L1916 | A1878-Q1882 PolarHBondContact O-N 2.87Å; P1879-Q1882 PolarHBondContact O-N 3.06Å; A1880-Q1882 VanDerWaalsContact C-N 3.33Å; A1880-Q1882 PolarHBondContact O-N 3.27Å; Q1882-R1886 WeakPolarHBondContact O-CG 3.47Å; Q1882-R1886 PolarHBondContact O-N 2.92Å; Q1882-L1916 HydrophobicContact CB-CD1 3.89Å; Q1882-L1916 HydrophobicContact CB-CD2 4.42Å; Q1882-L1916 HydrophobicContact CB-CG 4.16Å; Q1882-L1916 HydrophobicContact CG-CD1 4.23Å; Q1882-L1916 HydrophobicContact CG-CD2 4.47Å; Q1882-L1916 HydrophobicContact CG-CG 4.04Å |
| 1883 | V | 91.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.5 | -50.1 | 172.1 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | P1879 A1880 L1881 K1885 R1886 L1887 V1902 V1919 | P1879-V1883 PolarHBondContact O-N 3.32Å; A1880-V1883 PolarHBondContact O-N 3.29Å; A1880-V1883 VanDerWaalsContact O-N 3.14Å; L1881-V1883 VanDerWaalsContact C-N 3.3Å; L1881-V1883 PolarHBondContact O-N 2.9Å; V1883-K1885 PolarHBondContact O-N 3Å; V1883-R1886 WeakPolarHBondContact O-CA 3.36Å; V1883-R1886 WeakPolarHBondContact O-CB 3.33Å; V1883-R1886 PolarHBondContact O-N 3.44Å; V1883-L1887 HydrophobicContact CG1-CD1 3.92Å; V1883-L1887 HydrophobicContact CG1-CG 4.27Å; V1883-L1887 PolarHBondContact O-N 3.43Å; V1883-V1902 HydrophobicContact CB-CG1 3.78Å; V1883-V1902 HydrophobicContact CG1-CG1 3.54Å; V1883-V1919 HydrophobicContact CG2-CG1 3.87Å |
| 1884 | A | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.1 | -49.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y1866 A1880 L1881 R1886 L1887 L1888 P1896 | Y1866-A1884 HydrophobicContact CD2-CB 4.08Å; Y1866-A1884 HydrophobicContact CE1-CB 4.42Å; Y1866-A1884 HydrophobicContact CE2-CB 3.53Å; A1880-A1884 PolarHBondContact O-N 3.41Å; L1881-A1884 PolarHBondContact O-N 2.89Å; A1884-R1886 PolarHBondContact O-N 2.99Å; A1884-R1886 VanDerWaalsContact O-N 3.14Å; A1884-L1887 PolarHBondContact O-N 2.92Å; A1884-L1887 VanDerWaalsContact O-N 3.15Å; A1884-L1888 WeakPolarHBondContact O-CB 3.47Å; A1884-L1888 PolarHBondContact O-N 3.41Å; A1884-P1896 HydrophobicContact CB-CG 4.03Å |
| 1885 | K | 89.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 47.1 Ų | 47.1 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.1 | -26.1 | 175.3 | -75.8 | 176.3 | 175.8 | 173.3 | 0 | 113.8 | L1869 L1881 V1883 S1889 | L1869-K1885 HydrophobicContact CD2-CG 4.37Å; L1881-K1885 HydrophobicContact CD1-CD 4.25Å; L1881-K1885 HydrophobicContact CD1-CG 4.28Å; L1881-K1885 HydrophobicContact CG-CD 4.09Å; L1881-K1885 WeakPolarHBondContact O-CB 3.37Å; L1881-K1885 VanDerWaalsContact O-CG 3.32Å; L1881-K1885 WeakPolarHBondContact O-CG 3.27Å; L1881-K1885 PolarHBondContact O-N 3.14Å; V1883-K1885 PolarHBondContact O-N 3Å; K1885-S1889 WeakPolarHBondContact O-CB 3.41Å; K1885-S1889 PolarHBondContact O-N 3.46Å |
| 1886 | R | 86.9 | Confident | 87.3 | Confident | 39 Ų | 39 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.8 | -44.1 | 173.8 | -74.4 | -170.4 | -147.7 | 143.6 | 8.6 | 112.5 | Q1882 V1883 A1884 L1888 S1889 M1890 V1919 E1924 | Q1882-R1886 WeakPolarHBondContact O-CG 3.47Å; Q1882-R1886 PolarHBondContact O-N 2.92Å; V1883-R1886 WeakPolarHBondContact O-CA 3.36Å; V1883-R1886 WeakPolarHBondContact O-CB 3.33Å; V1883-R1886 PolarHBondContact O-N 3.44Å; A1884-R1886 PolarHBondContact O-N 2.99Å; A1884-R1886 VanDerWaalsContact O-N 3.14Å; R1886-L1888 VanDerWaalsContact C-N 3.35Å; R1886-L1888 PolarHBondContact O-N 2.92Å; R1886-S1889 WeakPolarHBondContact O-CA 3.47Å; R1886-S1889 WeakPolarHBondContact O-CB 3.48Å; R1886-S1889 PolarHBondContact O-N 3.11Å; R1886-S1889 PolarHBondContact O-OG 3.36Å; R1886-M1890 HydrophobicContact CB-CE 4.16Å; R1886-M1890 VanDerWaalsContact O-CG 3.26Å; R1886-M1890 WeakPolarHBondContact O-CG 3.22Å; R1886-M1890 PolarHBondContact O-N 3.18Å; R1886-M1890 VanDerWaalsContact O-SD 3.35Å; R1886-V1919 PolarHBondContact NH1-O 3.23Å; R1886-V1919 PolarHBondContact NH2-O 3.19Å; R1886-V1919 VanDerWaalsContact NH2-O 3.08Å; R1886-E1924 IonicContact NH1-OE1 2.82Å; R1886-E1924 PolarHBondContact NH1-OE1 3.33Å; R1886-E1924 IonicContact NH1-OE2 3.89Å |
| 1887 | L | 85.6 | Confident | 87.4 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 177.1 | -63.5 | 173.7 | 0 | 0 | 0 | 110.2 | V1883 A1884 S1889 M1890 D1891 G1894 P1896 H1923 | V1883-L1887 HydrophobicContact CG1-CD1 3.92Å; V1883-L1887 HydrophobicContact CG1-CG 4.27Å; V1883-L1887 PolarHBondContact O-N 3.43Å; A1884-L1887 PolarHBondContact O-N 2.92Å; A1884-L1887 VanDerWaalsContact O-N 3.15Å; L1887-S1889 PolarHBondContact O-N 2.8Å; L1887-M1890 CarbonylContact O-C 3.59Å; L1887-M1890 WeakPolarHBondContact O-CA 3.49Å; L1887-M1890 WeakPolarHBondContact O-CB 3.42Å; L1887-M1890 PolarHBondContact O-N 3.45Å; L1887-D1891 PolarHBondContact O-N 3.36Å; L1887-D1891 VanDerWaalsContact O-O 3.12Å; L1887-G1894 WeakPolarHBondContact CB-O 3.37Å; L1887-P1896 HydrophobicContact CD1-CG 4.48Å; L1887-H1923 HydrophobicContact CD2-CB 4.17Å |
| 1888 | L | 86.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.5 | -36.7 | 170.1 | -82.2 | 166.6 | 0 | 0 | 0 | 114 | L1869 A1884 R1886 M1890 D1891 E1895 | L1869-L1888 HydrophobicContact CD1-CD1 3.73Å; L1869-L1888 HydrophobicContact CG-CD1 4.49Å; A1884-L1888 WeakPolarHBondContact O-CB 3.47Å; A1884-L1888 PolarHBondContact O-N 3.41Å; R1886-L1888 VanDerWaalsContact C-N 3.35Å; R1886-L1888 PolarHBondContact O-N 2.92Å; L1888-M1890 PolarHBondContact O-N 2.87Å; L1888-D1891 WeakPolarHBondContact CA-O 3.31Å; L1888-E1895 HydrophobicContact CD1-CB 4.37Å; L1888-E1895 HydrophobicContact CD1-CG 3.99Å; L1888-E1895 HydrophobicContact CD2-CB 3.93Å; L1888-E1895 HydrophobicContact CD2-CG 4.44Å; L1888-E1895 HydrophobicContact CG-CB 4.1Å; L1888-E1895 HydrophobicContact CG-CG 4.25Å |
| 1889 | S | 84 | Confident | 87.5 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.1 | 178.3 | 82.6 | 0 | 0 | 0 | 0 | 114.3 | K1124 K1885 R1886 L1887 | K1124-S1889 VanDerWaalsContact CE-O 3.24Å; K1124-S1889 WeakPolarHBondContact CE-O 3.4Å; K1124-S1889 PolarHBondContact NZ-O 3.5Å; K1885-S1889 WeakPolarHBondContact O-CB 3.41Å; K1885-S1889 PolarHBondContact O-N 3.46Å; R1886-S1889 WeakPolarHBondContact O-CA 3.47Å; R1886-S1889 WeakPolarHBondContact O-CB 3.48Å; R1886-S1889 PolarHBondContact O-N 3.11Å; R1886-S1889 PolarHBondContact O-OG 3.36Å; L1887-S1889 PolarHBondContact O-N 2.8Å |
| 1890 | M | 77.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 21% | 0.212 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -41.9 | 179.8 | -62.1 | 156 | 176.5 | 0 | 0 | 111.1 | I1123 L1127 R1886 L1887 L1888 E1924 | I1123-M1890 HydrophobicContact CG2-CE 4.47Å; L1127-M1890 HydrophobicContact CD1-CE 3.63Å; L1127-M1890 HydrophobicContact CD1-CG 4.11Å; L1127-M1890 HydrophobicContact CD1-SD 3.59Å; L1127-M1890 VanDerWaalsContact CD1-SD 3.59Å; R1886-M1890 HydrophobicContact CB-CE 4.16Å; R1886-M1890 VanDerWaalsContact O-CG 3.26Å; R1886-M1890 WeakPolarHBondContact O-CG 3.22Å; R1886-M1890 PolarHBondContact O-N 3.18Å; R1886-M1890 VanDerWaalsContact O-SD 3.35Å; L1887-M1890 CarbonylContact O-C 3.59Å; L1887-M1890 WeakPolarHBondContact O-CA 3.49Å; L1887-M1890 WeakPolarHBondContact O-CB 3.42Å; L1887-M1890 PolarHBondContact O-N 3.45Å; L1888-M1890 PolarHBondContact O-N 2.87Å; M1890-E1924 HydrophobicContact CE-CG 4.39Å |
| 1891 | D | 79.5 | Confident | 87.4 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | trans | -146.3 | 120.5 | -178.4 | -175.5 | -17.3 | 0 | 0 | 0 | 109.4 | L1132 I1133 L1887 L1888 R1893 G1894 | L1132-D1891 WeakPolarHBondContact CA-OD2 3.48Å; L1132-D1891 HydrophobicContact CD2-CB 3.8Å; I1133-D1891 PolarHBondContact N-OD2 2.99Å; L1887-D1891 PolarHBondContact O-N 3.36Å; L1887-D1891 VanDerWaalsContact O-O 3.12Å; L1888-D1891 WeakPolarHBondContact CA-O 3.31Å; D1891-R1893 VanDerWaalsContact C-N 3.26Å; D1891-R1893 PolarHBondContact O-N 3.44Å; D1891-R1893 PolarHBondContact OD1-N 3.28Å; D1891-G1894 WeakPolarHBondContact O-CA 3.42Å; D1891-G1894 PolarHBondContact O-N 2.91Å | ||
| 1892 | P | 82.6 | Confident | 87.4 | Confident | 112 Ų | 112 | 41.7 Ų | 41.7 | 73% | 0.727 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28 | 176.5 | -24.4 | 35.3 | 0 | 0 | 0 | 114.8 | G1894 | P1892-G1894 PolarHBondContact O-N 3.34Š|
| 1893 | R | 85.3 | Confident | 87.4 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.3 | 173 | -72.6 | -76.5 | -72 | -167.8 | 0.4 | 112.5 | I1133 D1135 R1235 E1243 D1891 E1895 | I1133-R1893 HydrophobicContact CB-CB 4.04Å; I1133-R1893 HydrophobicContact CG2-CB 4.17Å; D1135-R1893 HydrophobicContact CB-CG 4.5Å; R1235-R1893 PolarHBondContact O-NH2 3.11Å; E1243-R1893 IonicContact OE2-NH1 3.18Å; E1243-R1893 PolarHBondContact OE2-NH1 3.01Å; D1891-R1893 VanDerWaalsContact C-N 3.26Å; D1891-R1893 PolarHBondContact O-N 3.44Å; D1891-R1893 PolarHBondContact OD1-N 3.28Å; R1893-E1895 VanDerWaalsContact C-N 3.27Å; R1893-E1895 PolarHBondContact O-N 3.34Å |
| 1894 | G | 84.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | -79.2 | 12.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | L1887 D1891 P1892 | L1887-G1894 WeakPolarHBondContact CB-O 3.37Å; D1891-G1894 WeakPolarHBondContact O-CA 3.42Å; D1891-G1894 PolarHBondContact O-N 2.91Å; P1892-G1894 PolarHBondContact O-N 3.34Å | ||
| 1895 | E | 89 | Confident | 87.6 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -74 | 133.4 | 174.7 | -156.8 | 173.3 | 165.5 | 0 | 0 | 111.5 | R1235 Y1866 L1888 R1893 | R1235-E1895 PolarHBondContact NH1-O 3.33Å; Y1866-E1895 HydrophobicContact CE1-CG 3.96Å; Y1866-E1895 WeakPolarHBondContact CE1-OE1 3.37Å; Y1866-E1895 PolarHBondContact OH-OE1 3.28Å; L1888-E1895 HydrophobicContact CD1-CB 4.37Å; L1888-E1895 HydrophobicContact CD1-CG 3.99Å; L1888-E1895 HydrophobicContact CD2-CB 3.93Å; L1888-E1895 HydrophobicContact CD2-CG 4.44Å; L1888-E1895 HydrophobicContact CG-CB 4.1Å; L1888-E1895 HydrophobicContact CG-CG 4.25Å; R1893-E1895 VanDerWaalsContact C-N 3.27Å; R1893-E1895 PolarHBondContact O-N 3.34Å |
| 1896 | P | 90.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 145.7 | 167 | -16.9 | 31.7 | 0 | 0 | 0 | 111.3 | Y1866 A1884 L1887 E1900 V1902 | Y1866-P1896 HydrophobicContact CD1-CB 3.78Å; Y1866-P1896 HydrophobicContact CD1-CG 4.34Å; Y1866-P1896 VanDerWaalsContact CD1-O 3.23Å; Y1866-P1896 WeakPolarHBondContact CD1-O 3.36Å; Y1866-P1896 HydrophobicContact CE1-CB 4.37Å; Y1866-P1896 WeakPolarHBondContact CE1-O 3.5Å; Y1866-P1896 HydrophobicContact CG-CB 4.22Å; A1884-P1896 HydrophobicContact CB-CG 4.03Å; L1887-P1896 HydrophobicContact CD1-CG 4.48Å; P1896-E1900 WeakPolarHBondContact CA-OE2 3.35Å; P1896-E1900 HydrophobicContact CB-CB 4.4Å; P1896-E1900 WeakPolarHBondContact CB-OE2 3.46Å; P1896-V1902 HydrophobicContact CB-CG2 3.48Å; P1896-V1902 VanDerWaalsContact CB-CG2 3.48Å; P1896-V1902 HydrophobicContact CG-CG2 3.44Å; P1896-V1902 VanDerWaalsContact CG-CG2 3.44Å |
| 1897 | L | 89 | Confident | 87.7 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 155.1 | 178.7 | -67.8 | 171.3 | 0 | 0 | 0 | 111.5 | E1234 R1235 W1377 G1899 E1900 | E1234-L1897 HydrophobicContact CB-CD1 3.93Å; E1234-L1897 HydrophobicContact CB-CD2 4.26Å; R1235-L1897 HydrophobicContact CG-CD1 4.14Å; R1235-L1897 HydrophobicContact CG-CD2 4.16Å; R1235-L1897 HydrophobicContact CG-CG 4.32Å; W1377-L1897 HydrophobicContact CH2-CB 4.02Å; W1377-L1897 HydrophobicContact CZ2-CB 3.8Å; W1377-L1897 HydrophobicContact CZ2-CD1 3.53Å; W1377-L1897 HydrophobicContact CZ2-CG 4.32Å; L1897-G1899 PolarHBondContact O-N 3.4Å; L1897-E1900 HydrophobicContact CB-CB 4.35Å; L1897-E1900 PolarHBondContact N-OE2 3.1Å; L1897-E1900 WeakPolarHBondContact O-CB 3.46Å; L1897-E1900 PolarHBondContact O-N 3.1Å |
| 1898 | R | 88.4 | Confident | 87.6 | Confident | 100 Ų | 100 | 37 Ų | 37 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 123.2 | 174.9 | -171 | 178.3 | -165.6 | -150.4 | 8.3 | 110 | R1378 | R1378-R1898 PolarHBondContact NH1-O 2.88Å; R1378-R1898 PolarHBondContact NH2-O 3.32Å |
| 1899 | G | 88.2 | Confident | 87.3 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -18.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1381 Y1866 L1897 R1901 | M1381-G1899 WeakPolarHBondContact CE-O 3.29Å; Y1866-G1899 PolarHBondContact O-N 3.1Å; L1897-G1899 PolarHBondContact O-N 3.4Å; G1899-R1901 PolarHBondContact O-N 3.41Å |
| 1900 | E | 90.3 | Very high | 87 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | trans | -63.1 | 133.7 | -176.2 | -170.9 | 170 | -148.7 | 0 | 0 | 111.4 | R1235 W1377 Y1866 P1896 L1897 V1902 | R1235-E1900 IonicContact CZ-OE1 3.8Å; R1235-E1900 IonicContact CZ-OE2 3.44Å; R1235-E1900 IonicContact NH1-OE1 2.72Å; R1235-E1900 PolarHBondContact NH1-OE1 3.4Å; R1235-E1900 IonicContact NH1-OE2 3.89Å; R1235-E1900 PolarHBondContact NH1-OE2 2.98Å; R1235-E1900 IonicContact NH2-OE1 3.83Å; R1235-E1900 PolarHBondContact NH2-OE1 3.23Å; R1235-E1900 IonicContact NH2-OE2 3.27Å; R1235-E1900 PolarHBondContact NH2-OE2 2.92Å; W1377-E1900 HydrophobicContact CH2-CB 4.27Å; W1377-E1900 HydrophobicContact CZ3-CB 4.4Å; Y1866-E1900 PolarHBondContact N-O 2.9Å; P1896-E1900 WeakPolarHBondContact CA-OE2 3.35Å; P1896-E1900 HydrophobicContact CB-CB 4.4Å; P1896-E1900 WeakPolarHBondContact CB-OE2 3.46Å; L1897-E1900 HydrophobicContact CB-CB 4.35Å; L1897-E1900 PolarHBondContact N-OE2 3.1Å; L1897-E1900 WeakPolarHBondContact O-CB 3.46Å; L1897-E1900 PolarHBondContact O-N 3.1Å; E1900-V1902 PolarHBondContact O-N 3.11Å; E1900-V1902 VanDerWaalsContact O-N 3.07Å | ||
| 1901 | R | 91.6 | Very high | 86.7 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 95.8 | 177.4 | -64.7 | -165.9 | 73.6 | 90.5 | -1.2 | 109.9 | L1386 Y1387 Y1389 R1782 S1863 R1864 G1899 V1903 | L1386-R1901 WeakPolarHBondContact O-CD 3.32Å; Y1387-R1901 VanDerWaalsContact O-CD 3.31Å; Y1387-R1901 WeakPolarHBondContact O-CD 3.42Å; Y1387-R1901 PolarHBondContact O-NE 3.36Å; Y1389-R1901 HydrophobicContact CD2-CG 4.36Å; Y1389-R1901 HydrophobicContact CE2-CG 4.21Å; R1782-R1901 PolarHBondContact O-NH2 3.3Å; S1863-R1901 PolarHBondContact O-NH2 3.41Å; S1863-R1901 PolarHBondContact OG-NE 3.27Å; S1863-R1901 PolarHBondContact OG-NH2 2.7Å; R1864-R1901 CarbonylContact O-C 3.53Å; G1899-R1901 PolarHBondContact O-N 3.41Å; R1901-V1903 WeakPolarHBondContact O-CG2 3.45Å; R1901-V1903 PolarHBondContact O-N 2.9Å |
| 1902 | V | 92.1 | Very high | 86.6 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 127.4 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | R1864 Y1866 A1880 V1883 P1896 E1900 | R1864-V1902 PolarHBondContact N-O 3.01Å; R1864-V1902 VanDerWaalsContact N-O 3.09Å; R1864-V1902 PolarHBondContact O-N 3.32Å; Y1866-V1902 HydrophobicContact CG-CG2 4.24Å; A1880-V1902 HydrophobicContact CB-CB 3.94Å; A1880-V1902 HydrophobicContact CB-CG1 4.22Å; A1880-V1902 HydrophobicContact CB-CG2 4.44Å; V1883-V1902 HydrophobicContact CB-CG1 3.78Å; V1883-V1902 HydrophobicContact CG1-CG1 3.54Å; P1896-V1902 HydrophobicContact CB-CG2 3.48Å; P1896-V1902 VanDerWaalsContact CB-CG2 3.48Å; P1896-V1902 HydrophobicContact CG-CG2 3.44Å; P1896-V1902 VanDerWaalsContact CG-CG2 3.44Å; E1900-V1902 PolarHBondContact O-N 3.11Å; E1900-V1902 VanDerWaalsContact O-N 3.07Å |
| 1903 | V | 91.7 | Very high | 86.5 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 11% | 0.109 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.7 | -171.4 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | E1388 I1861 R1901 I1922 F2131 | E1388-V1903 HydrophobicContact CB-CG2 4.3Å; E1388-V1903 HydrophobicContact CG-CG2 3.91Å; I1861-V1903 HydrophobicContact CG2-CG1 3.16Å; R1901-V1903 WeakPolarHBondContact O-CG2 3.45Å; R1901-V1903 PolarHBondContact O-N 2.9Å; V1903-I1922 HydrophobicContact CB-CD1 4.33Å; V1903-I1922 HydrophobicContact CG1-CD1 3.4Å; V1903-I1922 HydrophobicContact CG1-CG1 4.06Å; V1903-F2131 HydrophobicContact CB-CZ 4.46Å; V1903-F2131 HydrophobicContact CG1-CE1 4.46Å; V1903-F2131 HydrophobicContact CG1-CE2 4.37Å; V1903-F2131 HydrophobicContact CG1-CZ 3.65Å; V1903-F2131 HydrophobicContact CG2-CZ 4.04Å |
| 1904 | Y | 93 | Very high | 86.6 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 168.7 | -177.8 | 65.1 | -93.6 | 0 | 0 | 0 | 113.6 | I1862 R1864 P1879 V1919 R1920 | I1862-Y1904 HydrophobicContact CB-CD2 4.17Å; I1862-Y1904 HydrophobicContact CB-CE1 4.43Å; I1862-Y1904 HydrophobicContact CB-CE2 3.78Å; I1862-Y1904 HydrophobicContact CD1-CE2 4.13Å; I1862-Y1904 HydrophobicContact CG2-CE1 4.05Å; I1862-Y1904 HydrophobicContact CG2-CE2 3.82Å; I1862-Y1904 VanDerWaalsContact CG2-CZ 3.48Å; I1862-Y1904 WeakPolarHBondContact CG2-OH 3.48Å; I1862-Y1904 PolarHBondContact N-O 3.46Å; I1862-Y1904 PolarHBondContact O-N 3.26Å; R1864-Y1904 HydrophobicContact CB-CE1 4.19Å; R1864-Y1904 HydrophobicContact CG-CE1 3.88Å; P1879-Y1904 HydrophobicContact CB-CD1 4.4Å; P1879-Y1904 HydrophobicContact CB-CE1 3.8Å; P1879-Y1904 HydrophobicContact CB-CE2 4.11Å; Y1904-V1919 HydrophobicContact CD2-CG1 3.71Å; Y1904-V1919 HydrophobicContact CD2-CG2 4.47Å; Y1904-V1919 HydrophobicContact CE2-CG1 4.42Å; Y1904-V1919 HydrophobicContact CG-CG1 3.88Å; Y1904-R1920 VanDerWaalsContact CA-O 3.26Å; Y1904-R1920 WeakPolarHBondContact CA-O 3.23Å; Y1904-R1920 VanDerWaalsContact CB-O 3.3Å; Y1904-R1920 WeakPolarHBondContact CB-O 3.28Å |
| 1905 | Y | 92.1 | Very high | 86.6 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.9 | 169.3 | 71.8 | -81.5 | 0 | 0 | 0 | 110.1 | F1857 A1907 V1919 R1920 S1921 I1925 P1944 L1946 | F1857-Y1905 HydrophobicContact CE2-CG 4.23Å; F1857-Y1905 HydrophobicContact CZ-CD1 4.33Å; F1857-Y1905 HydrophobicContact CZ-CG 4.37Å; Y1905-A1907 HydrophobicContact CD2-CB 4.4Å; Y1905-A1907 HydrophobicContact CE2-CB 3.79Å; Y1905-V1919 CarbonylContact O-C 2.91Å; Y1905-R1920 HydrophobicContact CD1-CB 4Å; Y1905-R1920 WeakPolarHBondContact CD1-O 3.27Å; Y1905-R1920 HydrophobicContact CE1-CB 3.41Å; Y1905-R1920 VanDerWaalsContact CE1-CB 3.41Å; Y1905-R1920 HydrophobicContact CE1-CG 4.47Å; Y1905-R1920 HydrophobicContact CE2-CB 4.04Å; Y1905-R1920 HydrophobicContact CE2-CG 4.42Å; Y1905-R1920 VanDerWaalsContact CZ-CB 3.44Å; Y1905-R1920 PolarHBondContact N-O 3.13Å; Y1905-R1920 PolarHBondContact O-N 2.92Å; Y1905-S1921 WeakPolarHBondContact CE1-O 3.35Å; Y1905-I1925 HydrophobicContact CD1-CD1 3.95Å; Y1905-I1925 HydrophobicContact CD1-CG1 4.45Å; Y1905-I1925 HydrophobicContact CE1-CD1 3.53Å; Y1905-I1925 HydrophobicContact CE1-CG1 3.56Å; Y1905-P1944 HydrophobicContact CE2-CB 3.73Å; Y1905-P1944 HydrophobicContact CE2-CG 4.33Å; Y1905-L1946 HydrophobicContact CD2-CD2 3.77Å; Y1905-L1946 HydrophobicContact CG-CD2 4.41Å |
| 1906 | V | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.9 | 171.9 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | L1915 C1918 V1919 N1947 Y1950 Y1951 | V1906-L1915 HydrophobicContact CG1-CD1 3.62Å; V1906-L1915 HydrophobicContact CG2-CD1 4.41Å; V1906-C1918 HydrophobicContact CG1-CB 4.17Å; V1906-V1919 HydrophobicContact CG2-CG2 4.41Å; V1906-N1947 HydrophobicContact CB-CB 4.5Å; V1906-N1947 HydrophobicContact CG1-CB 3.78Å; V1906-N1947 PolarHBondContact O-N 3.04Å; V1906-Y1950 HydrophobicContact CB-CD1 3.68Å; V1906-Y1950 HydrophobicContact CB-CE1 3.98Å; V1906-Y1950 HydrophobicContact CB-CG 4.36Å; V1906-Y1950 HydrophobicContact CG1-CD1 4.02Å; V1906-Y1950 HydrophobicContact CG1-CG 4.19Å; V1906-Y1950 HydrophobicContact CG2-CD1 3.63Å; V1906-Y1950 HydrophobicContact CG2-CE1 3.4Å; V1906-Y1950 VanDerWaalsContact CG2-CE1 3.4Å; V1906-Y1950 HydrophobicContact CG2-CG 4.34Å; V1906-Y1951 HydrophobicContact CB-CE2 4.46Å; V1906-Y1951 PolarHBondContact N-OH 3.39Å |
| 1907 | A | 88.3 | Confident | 86.3 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 157.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1905 G1909 C1918 R1920 R1945 | Y1905-A1907 HydrophobicContact CD2-CB 4.4Å; Y1905-A1907 HydrophobicContact CE2-CB 3.79Å; A1907-G1909 PolarHBondContact O-N 2.9Å; A1907-C1918 WeakPolarHBondContact CB-O 3.35Å; A1907-C1918 PolarHBondContact N-O 2.88Å; A1907-C1918 WeakPolarHBondContact O-CB 3.36Å; A1907-R1920 HydrophobicContact CB-CG 3.88Å; A1907-R1945 CarbonylContact C-O 3.57Å; A1907-R1945 WeakPolarHBondContact CA-O 3.4Å |
| 1908 | A | 83.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | trans | -62.5 | 114.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R1945 | A1908-R1945 HydrophobicContact CB-CB 4.41Å; A1908-R1945 PolarHBondContact N-O 3.42Å | ||
| 1909 | G | 79.5 | Confident | 86.5 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | trans | -82.2 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1907 C1918 | A1907-G1909 PolarHBondContact O-N 2.9Å; G1909-C1918 VanDerWaalsContact CA-SG 3.51Å | ||
| 1910 | R | 77.1 | Confident | 86.5 | Confident | 138 Ų | 138 | 47.1 Ų | 47.1 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | trans | -87.4 | 150.6 | 161.1 | -54.7 | 170.9 | -167.6 | -128.4 | 2.5 | 109 | G1912 Q1913 | R1910-G1912 PolarHBondContact O-N 2.08Å; R1910-Q1913 HydrophobicContact CB-CG 4.14Å; R1910-Q1913 VanDerWaalsContact CB-OE1 3.29Å; R1910-Q1913 WeakPolarHBondContact O-CB 3.46Å; R1910-Q1913 PolarHBondContact O-N 3.28Å | ||
| 1911 | S | 72 | Confident | 86.3 | Confident | 105 Ų | 105 | 44.9 Ų | 44.9 | 73% | 0.734 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.2 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1912 | G | 76.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 44 Ų | 44 | 88% | 0.876 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1910 | R1910-G1912 PolarHBondContact O-N 2.08Š|
| 1913 | Q | 81.9 | Confident | 85 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | trans | -87.6 | 140.7 | 170.5 | -73.9 | -166.6 | -105.4 | 0 | 0 | 112.3 | R1910 S1917 | R1910-Q1913 HydrophobicContact CB-CG 4.14Å; R1910-Q1913 VanDerWaalsContact CB-OE1 3.29Å; R1910-Q1913 WeakPolarHBondContact O-CB 3.46Å; R1910-Q1913 PolarHBondContact O-N 3.28Å; Q1913-S1917 PolarHBondContact NE2-OG 3.2Å | ||
| 1914 | T | 86.2 | Confident | 84.1 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | trans | -64.7 | 144.3 | 173.1 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | L1916 S1917 C1918 | T1914-L1916 PolarHBondContact O-N 2.96Å; T1914-S1917 WeakPolarHBondContact O-CB 3.3Å; T1914-S1917 PolarHBondContact O-N 3.31Å; T1914-S1917 PolarHBondContact O-OG 2.99Å; T1914-S1917 PolarHBondContact OG1-N 3.06Å; T1914-C1918 PolarHBondContact O-SG 3.29Å | ||
| 1915 | L | 85.9 | Confident | 83 | Confident | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.7 | -39.9 | 179.4 | -177.1 | 65.6 | 0 | 0 | 0 | 112.2 | V1906 S1917 C1918 V1919 Y1950 | V1906-L1915 HydrophobicContact CG1-CD1 3.62Å; V1906-L1915 HydrophobicContact CG2-CD1 4.41Å; L1915-S1917 VanDerWaalsContact C-N 3.29Å; L1915-S1917 PolarHBondContact O-N 2.91Å; L1915-C1918 WeakPolarHBondContact O-CA 3.49Å; L1915-C1918 VanDerWaalsContact O-CB 3.26Å; L1915-C1918 WeakPolarHBondContact O-CB 3.02Å; L1915-C1918 PolarHBondContact O-N 3.29Å; L1915-V1919 PolarHBondContact O-N 2.73Å; L1915-Y1950 HydrophobicContact CD1-CD2 3.67Å; L1915-Y1950 HydrophobicContact CD1-CE2 4.19Å; L1915-Y1950 HydrophobicContact CD1-CG 4.03Å; L1915-Y1950 HydrophobicContact CD2-CD2 3.84Å; L1915-Y1950 HydrophobicContact CD2-CE2 3.67Å; L1915-Y1950 HydrophobicContact CG-CD2 4.41Å |
| 1916 | L | 86.7 | Confident | 81.4 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 176.7 | -169 | 72.7 | 0 | 0 | 0 | 112.8 | F1877 P1879 Q1882 T1914 C1918 V1919 | F1877-L1916 HydrophobicContact CB-CD2 3.84Å; F1877-L1916 HydrophobicContact CD1-CD2 3.69Å; F1877-L1916 HydrophobicContact CG-CD2 4.18Å; F1877-L1916 WeakPolarHBondContact O-CD1 3.5Å; P1879-L1916 HydrophobicContact CB-CD1 4.41Å; P1879-L1916 HydrophobicContact CG-CD1 4.21Å; Q1882-L1916 HydrophobicContact CB-CD1 3.89Å; Q1882-L1916 HydrophobicContact CB-CD2 4.42Å; Q1882-L1916 HydrophobicContact CB-CG 4.16Å; Q1882-L1916 HydrophobicContact CG-CD1 4.23Å; Q1882-L1916 HydrophobicContact CG-CD2 4.47Å; Q1882-L1916 HydrophobicContact CG-CG 4.04Å; T1914-L1916 PolarHBondContact O-N 2.96Å; L1916-C1918 PolarHBondContact O-N 3.33Å; L1916-V1919 PolarHBondContact O-N 2.95Å |
| 1917 | S | 86 | Confident | 79.3 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -12.3 | 174.3 | 80.9 | 0 | 0 | 0 | 0 | 113.4 | Q1913 T1914 L1915 R1920 | Q1913-S1917 PolarHBondContact NE2-OG 3.2Å; T1914-S1917 WeakPolarHBondContact O-CB 3.3Å; T1914-S1917 PolarHBondContact O-N 3.31Å; T1914-S1917 PolarHBondContact O-OG 2.99Å; T1914-S1917 PolarHBondContact OG1-N 3.06Å; L1915-S1917 VanDerWaalsContact C-N 3.29Å; L1915-S1917 PolarHBondContact O-N 2.91Å; S1917-R1920 PolarHBondContact O-NH1 3.5Å; S1917-R1920 PolarHBondContact O-NH2 3.26Å |
| 1918 | C | 89.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -100.9 | -18.1 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | V1906 A1907 G1909 T1914 L1915 L1916 R1920 | V1906-C1918 HydrophobicContact CG1-CB 4.17Å; A1907-C1918 WeakPolarHBondContact CB-O 3.35Å; A1907-C1918 PolarHBondContact N-O 2.88Å; A1907-C1918 WeakPolarHBondContact O-CB 3.36Å; G1909-C1918 VanDerWaalsContact CA-SG 3.51Å; T1914-C1918 PolarHBondContact O-SG 3.29Å; L1915-C1918 WeakPolarHBondContact O-CA 3.49Å; L1915-C1918 VanDerWaalsContact O-CB 3.26Å; L1915-C1918 WeakPolarHBondContact O-CB 3.02Å; L1915-C1918 PolarHBondContact O-N 3.29Å; L1916-C1918 PolarHBondContact O-N 3.33Å; C1918-R1920 PolarHBondContact O-NH1 2.89Å |
| 1919 | V | 91.5 | Very high | 74.8 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 136.6 | 168.9 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | P1879 V1883 R1886 Y1904 Y1905 V1906 L1915 L1916 | P1879-V1919 HydrophobicContact CB-CG1 4.39Å; P1879-V1919 HydrophobicContact CB-CG2 4.39Å; V1883-V1919 HydrophobicContact CG2-CG1 3.87Å; R1886-V1919 PolarHBondContact NH1-O 3.23Å; R1886-V1919 PolarHBondContact NH2-O 3.19Å; R1886-V1919 VanDerWaalsContact NH2-O 3.08Å; Y1904-V1919 HydrophobicContact CD2-CG1 3.71Å; Y1904-V1919 HydrophobicContact CD2-CG2 4.47Å; Y1904-V1919 HydrophobicContact CE2-CG1 4.42Å; Y1904-V1919 HydrophobicContact CG-CG1 3.88Å; Y1905-V1919 CarbonylContact O-C 2.91Å; V1906-V1919 HydrophobicContact CG2-CG2 4.41Å; L1915-V1919 PolarHBondContact O-N 2.73Å; L1916-V1919 PolarHBondContact O-N 2.95Å |
| 1920 | R | 88.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 63 Ų | 63 | 26% | 0.26 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.2 | 179.4 | -69.4 | -68 | 173.5 | -71.4 | 6.2 | 111 | Y1904 Y1905 A1907 S1917 C1918 E1924 | Y1904-R1920 VanDerWaalsContact CA-O 3.26Å; Y1904-R1920 WeakPolarHBondContact CA-O 3.23Å; Y1904-R1920 VanDerWaalsContact CB-O 3.3Å; Y1904-R1920 WeakPolarHBondContact CB-O 3.28Å; Y1905-R1920 HydrophobicContact CD1-CB 4Å; Y1905-R1920 WeakPolarHBondContact CD1-O 3.27Å; Y1905-R1920 HydrophobicContact CE1-CB 3.41Å; Y1905-R1920 VanDerWaalsContact CE1-CB 3.41Å; Y1905-R1920 HydrophobicContact CE1-CG 4.47Å; Y1905-R1920 HydrophobicContact CE2-CB 4.04Å; Y1905-R1920 HydrophobicContact CE2-CG 4.42Å; Y1905-R1920 VanDerWaalsContact CZ-CB 3.44Å; Y1905-R1920 PolarHBondContact N-O 3.13Å; Y1905-R1920 PolarHBondContact O-N 2.92Å; A1907-R1920 HydrophobicContact CB-CG 3.88Å; S1917-R1920 PolarHBondContact O-NH1 3.5Å; S1917-R1920 PolarHBondContact O-NH2 3.26Å; C1918-R1920 PolarHBondContact O-NH1 2.89Å; R1920-E1924 WeakPolarHBondContact CA-OE1 3.45Å; R1920-E1924 VanDerWaalsContact CD-CD 3.42Å; R1920-E1924 WeakPolarHBondContact CD-OE1 3.46Å; R1920-E1924 WeakPolarHBondContact CD-OE2 3.17Å; R1920-E1924 IonicContact NE-OE2 2.73Å |
| 1921 | S | 86.4 | Confident | 70.5 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 150.4 | 171 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | Y1905 H1923 E1924 | Y1905-S1921 WeakPolarHBondContact CE1-O 3.35Å; S1921-H1923 PolarHBondContact O-N 3.26Å; S1921-H1923 PolarHBondContact OG-N 3.42Å; S1921-E1924 PolarHBondContact N-OE1 3.28Å; S1921-E1924 WeakPolarHBondContact O-CB 3.12Å; S1921-E1924 PolarHBondContact O-N 3.26Å |
| 1922 | I | 81.9 | Confident | 68.6 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.062 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -59.9 | -30.8 | 167 | -64.5 | -171.7 | 0 | 0 | 0 | 111 | I1861 V1903 E1924 I1925 F2130 F2131 | I1861-I1922 HydrophobicContact CD1-CD1 3.56Å; I1861-I1922 HydrophobicContact CG1-CD1 3.88Å; I1861-I1922 HydrophobicContact CG2-CD1 3.96Å; V1903-I1922 HydrophobicContact CB-CD1 4.33Å; V1903-I1922 HydrophobicContact CG1-CD1 3.4Å; V1903-I1922 HydrophobicContact CG1-CG1 4.06Å; I1922-E1924 PolarHBondContact O-N 3.27Å; I1922-E1924 VanDerWaalsContact O-N 3.15Å; I1922-I1925 HydrophobicContact CB-CD1 4.46Å; I1922-I1925 HydrophobicContact CG1-CD1 4.5Å; I1922-I1925 HydrophobicContact CG2-CD1 4.3Å; I1922-I1925 WeakPolarHBondContact O-CB 3.31Å; I1922-I1925 WeakPolarHBondContact O-CG1 3.32Å; I1922-I1925 PolarHBondContact O-N 3.37Å; I1922-F2130 HydrophobicContact CG2-CB 4.02Å; I1922-F2130 HydrophobicContact CG2-CD2 3.36Å; I1922-F2130 HydrophobicContact CG2-CE2 4Å; I1922-F2130 HydrophobicContact CG2-CG 3.83Å; I1922-F2131 HydrophobicContact CD1-CE2 4.42Å |
| 1923 | H | 74.9 | Confident | 66.4 | Low | 80 Ų | 80 | 63.3 Ų | 63.3 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -70.8 | -2 | 174 | -58.7 | -72.6 | 0 | 0 | 0 | 114 | L1127 L1887 S1921 Y1926 | L1127-H1923 VanDerWaalsContact CD2-O 3.26Å; L1127-H1923 WeakPolarHBondContact CD2-O 3.41Å; L1887-H1923 HydrophobicContact CD2-CB 4.17Å; S1921-H1923 PolarHBondContact O-N 3.26Å; S1921-H1923 PolarHBondContact OG-N 3.42Å; H1923-Y1926 HydrophobicContact CB-CE2 4.27Å; H1923-Y1926 PolarHBondContact ND1-OH 3.23Å; H1923-Y1926 WeakPolarHBondContact O-CD2 3.49Å; H1923-Y1926 WeakPolarHBondContact O-CE2 3.32Å |
| 1924 | E | 72.6 | Confident | 64 | Low | 43 Ų | 43 | 70.1 Ų | 70.1 | 20% | 0.201 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -87.2 | -9.5 | 165.1 | -63 | 178.7 | -106.4 | 0 | 0 | 112 | R1886 M1890 R1920 S1921 I1922 Y1926 | R1886-E1924 IonicContact NH1-OE1 2.82Å; R1886-E1924 PolarHBondContact NH1-OE1 3.33Å; R1886-E1924 IonicContact NH1-OE2 3.89Å; M1890-E1924 HydrophobicContact CE-CG 4.39Å; R1920-E1924 WeakPolarHBondContact CA-OE1 3.45Å; R1920-E1924 VanDerWaalsContact CD-CD 3.42Å; R1920-E1924 WeakPolarHBondContact CD-OE1 3.46Å; R1920-E1924 WeakPolarHBondContact CD-OE2 3.17Å; R1920-E1924 IonicContact NE-OE2 2.73Å; S1921-E1924 PolarHBondContact N-OE1 3.28Å; S1921-E1924 WeakPolarHBondContact O-CB 3.12Å; S1921-E1924 PolarHBondContact O-N 3.26Å; I1922-E1924 PolarHBondContact O-N 3.27Å; I1922-E1924 VanDerWaalsContact O-N 3.15Å; E1924-Y1926 PolarHBondContact O-N 3.18Å |
| 1925 | I | 69.3 | Low | 61.5 | Low | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | trans | -92.4 | 70.3 | -180 | -44.6 | 167 | 0 | 0 | 0 | 110.5 | F1857 Y1905 I1922 P1944 F2130 | F1857-I1925 HydrophobicContact CE1-CD1 3.83Å; F1857-I1925 HydrophobicContact CE2-CD1 4.25Å; F1857-I1925 HydrophobicContact CZ-CD1 3.39Å; Y1905-I1925 HydrophobicContact CD1-CD1 3.95Å; Y1905-I1925 HydrophobicContact CD1-CG1 4.45Å; Y1905-I1925 HydrophobicContact CE1-CD1 3.53Å; Y1905-I1925 HydrophobicContact CE1-CG1 3.56Å; I1922-I1925 HydrophobicContact CB-CD1 4.46Å; I1922-I1925 HydrophobicContact CG1-CD1 4.5Å; I1922-I1925 HydrophobicContact CG2-CD1 4.3Å; I1922-I1925 WeakPolarHBondContact O-CB 3.31Å; I1922-I1925 WeakPolarHBondContact O-CG1 3.32Å; I1922-I1925 PolarHBondContact O-N 3.37Å; I1925-P1944 HydrophobicContact CD1-CB 4.47Å; I1925-P1944 HydrophobicContact CD1-CG 3.97Å; I1925-P1944 HydrophobicContact CG1-CB 4.49Å; I1925-P1944 HydrophobicContact CG1-CG 4.47Å; I1925-F2130 HydrophobicContact CB-CE1 4.44Å; I1925-F2130 HydrophobicContact CB-CZ 4.06Å; I1925-F2130 HydrophobicContact CG2-CE1 3.93Å; I1925-F2130 HydrophobicContact CG2-CZ 3.88Å; I1925-F2130 WeakPolarHBondContact O-CZ 3.29Å | ||
| 1926 | Y | 59.1 | Low | 59.1 | Low | 59 Ų | 59 | 72.2 Ų | 72.2 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | trans | -113.1 | 144 | 171.2 | -74.2 | -65 | 0 | 0 | 0 | 112.5 | L1127 C1130 T1407 H1923 E1924 | L1127-Y1926 HydrophobicContact CD2-CD2 3.95Å; C1130-Y1926 HydrophobicContact CB-CD2 4.08Å; C1130-Y1926 HydrophobicContact CB-CE2 4.27Å; C1130-Y1926 HydrophobicContact CB-CG 4.36Å; C1130-Y1926 VanDerWaalsContact SG-CB 3.56Å; C1130-Y1926 VanDerWaalsContact SG-CD2 3.55Å; C1130-Y1926 VanDerWaalsContact SG-CG 3.52Å; T1407-Y1926 HydrophobicContact CG2-CE1 3.6Å; H1923-Y1926 HydrophobicContact CB-CE2 4.27Å; H1923-Y1926 PolarHBondContact ND1-OH 3.23Å; H1923-Y1926 WeakPolarHBondContact O-CD2 3.49Å; H1923-Y1926 WeakPolarHBondContact O-CE2 3.32Å; E1924-Y1926 PolarHBondContact O-N 3.18Å | ||
| 1927 | P | 47.1 | Very low | 56.6 | Low | 48 Ų | 48 | 78.7 Ų | 78.7 | 31% | 0.312 | 43% | 0.431 | S | S | . | . | trans | -70.7 | 142.7 | 177.8 | 31.3 | -35.1 | 0 | 0 | 0 | 110.5 | L1929 V1941 | P1927-L1929 HydrophobicContact CB-CB 4.42Å; P1927-L1929 PolarHBondContact O-N 3.47Å; P1927-V1941 HydrophobicContact CB-CG1 4.37Å; P1927-V1941 HydrophobicContact CB-CG2 3.85Å | ||
| 1928 | S | 37.2 | Very low | 54.3 | Low | 115 Ų | 115 | 79.3 Ų | 79.3 | 80% | 0.804 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.6 | 27.1 | -174.7 | -44.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1929 | L | 40.2 | Very low | 52.2 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 41% | 0.408 | 46% | 0.455 | S | S | . | . | trans | -137.4 | 63.6 | -143.6 | -82.5 | 169.4 | 0 | 0 | 0 | 116.1 | P1927 S1938 | P1927-L1929 HydrophobicContact CB-CB 4.42Å; P1927-L1929 PolarHBondContact O-N 3.47Å; L1929-S1938 WeakPolarHBondContact CD1-O 3.3Å; L1929-S1938 VanDerWaalsContact CD2-CB 3.46Å | ||
| 1930 | W | 36.9 | Very low | 50.2 | Low | 128 Ų | 128 | 89.3 Ų | 89.3 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | trans | -138.7 | 144 | 150.3 | -70.9 | 106.9 | 0 | 0 | 0 | 110 | K1129 L2126 | K1129-W1930 PolarHBondContact NZ-O 3.47Å; W1930-L2126 HydrophobicContact CH2-CD1 4.4Å; W1930-L2126 HydrophobicContact CZ2-CD1 3.92Å; W1930-L2126 HydrophobicContact CZ2-CD2 3.74Å | ||
| 1931 | I | 31 | Very low | 48.4 | Very low | 137 Ų | 137 | 87.9 Ų | 87.9 | 70% | 0.703 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 69.2 | 114.7 | 179.3 | -52.1 | 170.4 | 0 | 0 | 0 | 112.9 | ||
| 1932 | T | 30.6 | Very low | 47.1 | Very low | 133 Ų | 133 | 92.9 Ų | 92.9 | 82% | 0.816 | 50% | 0.497 | S | S | * | . | cis | -148.4 | 145.9 | 7.3 | 36.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1933 | G | 31.6 | Very low | 46.2 | Very low | 63 Ų | 63 | 93.9 Ų | 93.9 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | trans | 91 | 119.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | S1935 | G1933-S1935 PolarHBondContact O-N 2.94Š| ||
| 1934 | K | 31.8 | Very low | 46.1 | Very low | 228 Ų | 228 | 91.1 Ų | 91.1 | 99% | 0.991 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 48.2 | 33.6 | 150.9 | -65 | -168.5 | 175.7 | -175 | 0 | 119.4 | ||
| 1935 | S | 33.3 | Very low | 46.1 | Very low | 86 Ų | 86 | 97.4 Ų | 97.4 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | trans | -141.9 | 132.8 | 160.4 | 63 | 0 | 0 | 0 | 0 | 112.9 | G1933 | G1933-S1935 PolarHBondContact O-N 2.94Š| ||
| 1936 | T | 34.7 | Very low | 46.9 | Very low | 136 Ų | 136 | 97.1 Ų | 97.1 | 83% | 0.834 | 52% | 0.519 | S | S | * | . | trans | -88.6 | -0.8 | -177.9 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | S1938 | T1936-S1938 VanDerWaalsContact C-N 3.26Å; T1936-S1938 PolarHBondContact O-N 3.43Å | ||
| 1937 | L | 34.8 | Very low | 48.3 | Very low | 168 Ų | 168 | 96.2 Ų | 96.2 | 88% | 0.88 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 12.3 | -167.9 | -83.2 | 161.6 | 0 | 0 | 0 | 115.3 | ||
| 1938 | S | 37.5 | Very low | 50.2 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -13.9 | -167 | 53.8 | 0 | 0 | 0 | 0 | 116.2 | L1929 T1936 R1940 | L1929-S1938 WeakPolarHBondContact CD1-O 3.3Å; L1929-S1938 VanDerWaalsContact CD2-CB 3.46Å; T1936-S1938 VanDerWaalsContact C-N 3.26Å; T1936-S1938 PolarHBondContact O-N 3.43Å; S1938-R1940 PolarHBondContact O-N 3.43Å |
| 1939 | R | 45 | Very low | 52.4 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | trans | -61.5 | -6.7 | -165.1 | -87.5 | -169.9 | -180 | 147.2 | 0.2 | 117.8 | D2122 | R1939-D2122 IonicContact CZ-OD1 3.65Å; R1939-D2122 IonicContact CZ-OD2 3.14Å; R1939-D2122 IonicContact NE-OD1 2.74Å; R1939-D2122 PolarHBondContact NE-OD1 2.93Å; R1939-D2122 IonicContact NH2-OD1 3.78Å; R1939-D2122 PolarHBondContact NH2-OD1 3.43Å; R1939-D2122 IonicContact NH2-OD2 3.27Å; R1939-D2122 PolarHBondContact NH2-OD2 3.35Å | ||
| 1940 | R | 50.7 | Low | 54.8 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 38% | 0.377 | 49% | 0.485 | S | S | . | . | trans | -101 | 98 | -174.6 | -68.9 | -174.8 | -171.6 | 147.5 | 3.2 | 112.5 | S1938 L1942 L2145 | S1938-R1940 PolarHBondContact O-N 3.43Å; R1940-L1942 PolarHBondContact O-N 2.94Å; R1940-L2145 VanDerWaalsContact CZ-CD2 3.44Å | ||
| 1941 | V | 50.7 | Low | 57.4 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 128.1 | 167.6 | -167.5 | 0 | 0 | 0 | 0 | 108.7 | P1927 L2139 S2142 | P1927-V1941 HydrophobicContact CB-CG1 4.37Å; P1927-V1941 HydrophobicContact CB-CG2 3.85Å; V1941-L2139 HydrophobicContact CB-CD2 4.18Å; V1941-L2139 HydrophobicContact CG1-CD2 4.26Å; V1941-S2142 PolarHBondContact O-OG 3.09Å |
| 1942 | L | 58.7 | Low | 60.2 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 134.6 | 171.7 | -64.7 | 177.1 | 0 | 0 | 0 | 109.3 | R1940 A2143 A2146 | R1940-L1942 PolarHBondContact O-N 2.94Å; L1942-A2143 HydrophobicContact CD2-CB 4.04Å; L1942-A2146 HydrophobicContact CD2-CB 3.74Å |
| 1943 | G | 63.1 | Low | 62.9 | Low | 32 Ų | 32 | 76.9 Ų | 76.9 | 33% | 0.33 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 153.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1944 | P | 71.5 | Confident | 65.7 | Low | 22 Ų | 22 | 80.5 Ų | 80.5 | 14% | 0.143 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.1 | 179.5 | 29.7 | -37.2 | 0 | 0 | 0 | 111.4 | F1857 Y1905 I1925 L1946 | F1857-P1944 HydrophobicContact CD2-CG 3.69Å; F1857-P1944 HydrophobicContact CE2-CG 3.36Å; F1857-P1944 HydrophobicContact CG-CG 4.49Å; F1857-P1944 HydrophobicContact CZ-CG 3.93Å; Y1905-P1944 HydrophobicContact CE2-CB 3.73Å; Y1905-P1944 HydrophobicContact CE2-CG 4.33Å; I1925-P1944 HydrophobicContact CD1-CB 4.47Å; I1925-P1944 HydrophobicContact CD1-CG 3.97Å; I1925-P1944 HydrophobicContact CG1-CB 4.49Å; I1925-P1944 HydrophobicContact CG1-CG 4.47Å; P1944-L1946 PolarHBondContact O-N 3.21Å; P1944-L1946 VanDerWaalsContact O-N 3.1Å |
| 1945 | R | 74.4 | Confident | 68.6 | Low | 176 Ų | 176 | 71 Ų | 71 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | trans | -77.8 | 97.4 | 176.4 | -72.3 | -176.2 | 167.8 | -145.6 | -11.4 | 110.7 | A1907 A1908 | A1907-R1945 CarbonylContact C-O 3.57Å; A1907-R1945 WeakPolarHBondContact CA-O 3.4Å; A1908-R1945 HydrophobicContact CB-CB 4.41Å; A1908-R1945 PolarHBondContact N-O 3.42Å | ||
| 1946 | L | 85.6 | Confident | 71.3 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 154.8 | 172.8 | -63.8 | -175.6 | 0 | 0 | 0 | 112.3 | F1857 C1860 Y1905 P1944 Y1948 Y1951 | F1857-L1946 HydrophobicContact CD2-CD1 4.49Å; F1857-L1946 HydrophobicContact CD2-CD2 4.13Å; F1857-L1946 HydrophobicContact CE2-CD2 3.94Å; C1860-L1946 HydrophobicContact CB-CD1 3.72Å; Y1905-L1946 HydrophobicContact CD2-CD2 3.77Å; Y1905-L1946 HydrophobicContact CG-CD2 4.41Å; P1944-L1946 PolarHBondContact O-N 3.21Å; P1944-L1946 VanDerWaalsContact O-N 3.1Å; L1946-Y1948 HydrophobicContact CB-CD1 4.05Å; L1946-Y1948 HydrophobicContact CB-CE1 3.67Å; L1946-Y1948 HydrophobicContact CD1-CE1 4.01Å; L1946-Y1948 HydrophobicContact CG-CE1 4.32Å; L1946-Y1948 PolarHBondContact O-N 3.38Å; L1946-Y1951 HydrophobicContact CB-CD2 4.39Å; L1946-Y1951 HydrophobicContact CB-CE2 3.93Å; L1946-Y1951 HydrophobicContact CD1-CE2 4.28Å; L1946-Y1951 HydrophobicContact CD2-CE2 4.01Å; L1946-Y1951 HydrophobicContact CG-CE2 4.3Å |
| 1947 | N | 89 | Confident | 74 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | -88.6 | 83.3 | 167.1 | -175 | 3.7 | 0 | 0 | 0 | 110.5 | V1906 A1949 Y1950 Y1951 | V1906-N1947 HydrophobicContact CB-CB 4.5Å; V1906-N1947 HydrophobicContact CG1-CB 3.78Å; V1906-N1947 PolarHBondContact O-N 3.04Å; N1947-A1949 VanDerWaalsContact C-N 3.26Å; N1947-A1949 PolarHBondContact O-N 3.44Å; N1947-Y1950 WeakPolarHBondContact ND2-CB 3.34Å; N1947-Y1950 WeakPolarHBondContact O-CB 3.49Å; N1947-Y1950 PolarHBondContact O-N 2.76Å; N1947-Y1951 WeakPolarHBondContact O-CD2 3.43Å; N1947-Y1951 PolarHBondContact O-N 2.96Å | ||
| 1948 | Y | 86.6 | Confident | 76.8 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.9 | -34.4 | -175.4 | -56.7 | -61.3 | 0 | 0 | 0 | 113.9 | L1850 G1853 L1946 Y1950 Y1951 L1952 | L1850-Y1948 WeakPolarHBondContact O-CD1 3.4Å; G1853-Y1948 WeakPolarHBondContact CA-OH 3.45Å; L1946-Y1948 HydrophobicContact CB-CD1 4.05Å; L1946-Y1948 HydrophobicContact CB-CE1 3.67Å; L1946-Y1948 HydrophobicContact CD1-CE1 4.01Å; L1946-Y1948 HydrophobicContact CG-CE1 4.32Å; L1946-Y1948 PolarHBondContact O-N 3.38Å; Y1948-Y1950 VanDerWaalsContact C-N 3.34Å; Y1948-Y1950 PolarHBondContact O-N 3.13Å; Y1948-Y1951 PolarHBondContact O-N 3.49Å; Y1948-L1952 WeakPolarHBondContact O-CB 3.3Å; Y1948-L1952 PolarHBondContact O-N 2.95Å |
| 1949 | A | 83.3 | Confident | 79.4 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1947 L1952 D1953 | N1947-A1949 VanDerWaalsContact C-N 3.26Å; N1947-A1949 PolarHBondContact O-N 3.44Å; A1949-L1952 PolarHBondContact O-N 2.97Å; A1949-D1953 VanDerWaalsContact O-CB 3.3Å; A1949-D1953 WeakPolarHBondContact O-CB 3.29Å; A1949-D1953 PolarHBondContact O-N 3.35Å |
| 1950 | Y | 89.7 | Confident | 81.6 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.6 | 164.5 | -98.3 | 0 | 0 | 0 | 112.3 | I1862 V1906 L1915 N1947 Y1948 L1952 K1954 Q1955 | I1862-Y1950 HydrophobicContact CD1-CE1 3.92Å; V1906-Y1950 HydrophobicContact CB-CD1 3.68Å; V1906-Y1950 HydrophobicContact CB-CE1 3.98Å; V1906-Y1950 HydrophobicContact CB-CG 4.36Å; V1906-Y1950 HydrophobicContact CG1-CD1 4.02Å; V1906-Y1950 HydrophobicContact CG1-CG 4.19Å; V1906-Y1950 HydrophobicContact CG2-CD1 3.63Å; V1906-Y1950 HydrophobicContact CG2-CE1 3.4Å; V1906-Y1950 VanDerWaalsContact CG2-CE1 3.4Å; V1906-Y1950 HydrophobicContact CG2-CG 4.34Å; L1915-Y1950 HydrophobicContact CD1-CD2 3.67Å; L1915-Y1950 HydrophobicContact CD1-CE2 4.19Å; L1915-Y1950 HydrophobicContact CD1-CG 4.03Å; L1915-Y1950 HydrophobicContact CD2-CD2 3.84Å; L1915-Y1950 HydrophobicContact CD2-CE2 3.67Å; L1915-Y1950 HydrophobicContact CG-CD2 4.41Å; N1947-Y1950 WeakPolarHBondContact ND2-CB 3.34Å; N1947-Y1950 WeakPolarHBondContact O-CB 3.49Å; N1947-Y1950 PolarHBondContact O-N 2.76Å; Y1948-Y1950 VanDerWaalsContact C-N 3.34Å; Y1948-Y1950 PolarHBondContact O-N 3.13Å; Y1950-L1952 VanDerWaalsContact C-N 3.28Å; Y1950-L1952 PolarHBondContact O-N 3.48Å; Y1950-K1954 HydrophobicContact CD2-CB 3.69Å; Y1950-K1954 HydrophobicContact CD2-CG 4.11Å; Y1950-K1954 HydrophobicContact CE2-CB 3.72Å; Y1950-K1954 HydrophobicContact CE2-CG 4.44Å; Y1950-K1954 WeakPolarHBondContact O-CA 3.34Å; Y1950-K1954 WeakPolarHBondContact O-CB 3.4Å; Y1950-K1954 PolarHBondContact O-N 3.37Å; Y1950-Q1955 HydrophobicContact CE1-CG 3.94Å |
| 1951 | Y | 92.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -31.8 | 178.8 | -66.6 | -74.9 | 0 | 0 | 0 | 112.1 | F1787 C1860 I1862 V1906 L1946 N1947 Y1948 Q1955 F1956 | F1787-Y1951 HydrophobicContact CE1-CD1 4.13Å; F1787-Y1951 HydrophobicContact CE1-CG 4.49Å; C1860-Y1951 HydrophobicContact CB-CE1 4.21Å; C1860-Y1951 WeakPolarHBondContact O-CE1 3.29Å; C1860-Y1951 PolarHBondContact O-OH 3.02Å; I1862-Y1951 HydrophobicContact CD1-CE1 4.09Å; V1906-Y1951 HydrophobicContact CB-CE2 4.46Å; V1906-Y1951 PolarHBondContact N-OH 3.39Å; L1946-Y1951 HydrophobicContact CB-CD2 4.39Å; L1946-Y1951 HydrophobicContact CB-CE2 3.93Å; L1946-Y1951 HydrophobicContact CD1-CE2 4.28Å; L1946-Y1951 HydrophobicContact CD2-CE2 4.01Å; L1946-Y1951 HydrophobicContact CG-CE2 4.3Å; N1947-Y1951 WeakPolarHBondContact O-CD2 3.43Å; N1947-Y1951 PolarHBondContact O-N 2.96Å; Y1948-Y1951 PolarHBondContact O-N 3.49Å; Y1951-Q1955 HydrophobicContact CD1-CG 4.3Å; Y1951-Q1955 WeakPolarHBondContact O-CB 3.4Å; Y1951-Q1955 PolarHBondContact O-N 3.24Å; Y1951-F1956 WeakPolarHBondContact O-CB 3.22Å; Y1951-F1956 PolarHBondContact O-N 2.75Å |
| 1952 | L | 89.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -71.7 | -67.1 | 173.1 | -172.9 | 70.8 | 0 | 0 | 0 | 111 | A1847 L1850 I1851 Y1948 A1949 Y1950 K1954 F1956 I1957 | A1847-L1952 HydrophobicContact CB-CD1 3.78Å; L1850-L1952 HydrophobicContact CD2-CB 4.13Å; L1850-L1952 HydrophobicContact CD2-CD1 4.21Å; I1851-L1952 HydrophobicContact CD1-CD2 4.06Å; I1851-L1952 HydrophobicContact CG1-CD2 4.24Å; Y1948-L1952 WeakPolarHBondContact O-CB 3.3Å; Y1948-L1952 PolarHBondContact O-N 2.95Å; A1949-L1952 PolarHBondContact O-N 2.97Å; Y1950-L1952 VanDerWaalsContact C-N 3.28Å; Y1950-L1952 PolarHBondContact O-N 3.48Å; L1952-K1954 VanDerWaalsContact C-N 3.32Å; L1952-K1954 PolarHBondContact O-N 3.14Å; L1952-F1956 HydrophobicContact CD1-CD1 3.98Å; L1952-F1956 PolarHBondContact O-N 2.79Å; L1952-I1957 HydrophobicContact CD1-CD1 4.44Å; L1952-I1957 HydrophobicContact CD1-CG1 4.4Å; L1952-I1957 HydrophobicContact CG-CD1 4.01Å; L1952-I1957 HydrophobicContact CG-CG1 4.36Å; L1952-I1957 WeakPolarHBondContact O-CG1 3.5Å; L1952-I1957 PolarHBondContact O-N 2.84Å |
| 1953 | D | 87.4 | Confident | 86.9 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -72 | -19.1 | -168.6 | -59.5 | -40.1 | 0 | 0 | 0 | 114.4 | A1949 | A1949-D1953 VanDerWaalsContact O-CB 3.3Å; A1949-D1953 WeakPolarHBondContact O-CB 3.29Å; A1949-D1953 PolarHBondContact O-N 3.35Å |
| 1954 | K | 90.2 | Very high | 88.1 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 60% | 0.604 | 18% | 0.184 | S | C | * | . | I | π-helix | trans | -130.5 | 1.6 | -172.2 | -59.2 | -66.2 | 177.9 | -177.4 | 0 | 115.1 | Y1950 L1952 | Y1950-K1954 HydrophobicContact CD2-CB 3.69Å; Y1950-K1954 HydrophobicContact CD2-CG 4.11Å; Y1950-K1954 HydrophobicContact CE2-CB 3.72Å; Y1950-K1954 HydrophobicContact CE2-CG 4.44Å; Y1950-K1954 WeakPolarHBondContact O-CA 3.34Å; Y1950-K1954 WeakPolarHBondContact O-CB 3.4Å; Y1950-K1954 PolarHBondContact O-N 3.37Å; L1952-K1954 VanDerWaalsContact C-N 3.32Å; L1952-K1954 PolarHBondContact O-N 3.14Å |
| 1955 | Q | 92.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -132.4 | -44 | 172.7 | -61.5 | -75.1 | -94.3 | 0 | 0 | 112.2 | V1788 Y1950 Y1951 P1959 | V1788-Q1955 HydrophobicContact CG2-CB 4.06Å; V1788-Q1955 WeakPolarHBondContact CG2-O 3.37Å; Y1950-Q1955 HydrophobicContact CE1-CG 3.94Å; Y1951-Q1955 HydrophobicContact CD1-CG 4.3Å; Y1951-Q1955 WeakPolarHBondContact O-CB 3.4Å; Y1951-Q1955 PolarHBondContact O-N 3.24Å; Q1955-P1959 VanDerWaalsContact O-CD 3.31Å; Q1955-P1959 WeakPolarHBondContact O-CD 3.43Å |
| 1956 | F | 91.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -84.5 | -49.5 | -177.2 | -173.6 | -115.4 | 0 | 0 | 0 | 114 | F1787 V1791 Y1795 I1843 F1846 A1847 L1850 Y1951 L1952 P1959 I1960 | F1787-F1956 HydrophobicContact CD2-CD2 4.36Å; F1787-F1956 HydrophobicContact CE2-CB 3.99Å; F1787-F1956 AromaticContact CE2-CD2 3.86Å; F1787-F1956 HydrophobicContact CE2-CD2 3.86Å; F1787-F1956 HydrophobicContact CE2-CG 4.31Å; F1787-F1956 HydrophobicContact CZ-CB 4.47Å; V1791-F1956 HydrophobicContact CG1-CE2 3.93Å; Y1795-F1956 HydrophobicContact CE2-CE2 4.3Å; Y1795-F1956 HydrophobicContact CE2-CZ 4.06Å; I1843-F1956 HydrophobicContact CG2-CE1 4.23Å; F1846-F1956 HydrophobicContact CB-CZ 4.04Å; F1846-F1956 HydrophobicContact CD1-CD1 4.42Å; F1846-F1956 AromaticContact CD1-CD2 3.86Å; F1846-F1956 HydrophobicContact CD1-CD2 3.86Å; F1846-F1956 AromaticContact CD1-CE1 3.93Å; F1846-F1956 HydrophobicContact CD1-CE1 3.93Å; F1846-F1956 AromaticContact CD1-CE2 3.29Å; F1846-F1956 HydrophobicContact CD1-CE2 3.29Å; F1846-F1956 HydrophobicContact CD1-CG 4.38Å; F1846-F1956 AromaticContact CD1-CZ 3.32Å; F1846-F1956 HydrophobicContact CD1-CZ 3.32Å; F1846-F1956 AromaticContact CE1-CD2 3.77Å; F1846-F1956 HydrophobicContact CE1-CD2 3.77Å; F1846-F1956 AromaticContact CE1-CE2 3.6Å; F1846-F1956 HydrophobicContact CE1-CE2 3.6Å; F1846-F1956 HydrophobicContact CE1-CG 4.38Å; F1846-F1956 HydrophobicContact CE1-CZ 4.1Å; F1846-F1956 HydrophobicContact CG-CE2 4.06Å; F1846-F1956 AromaticContact CG-CZ 3.94Å; F1846-F1956 HydrophobicContact CG-CZ 3.94Å; A1847-F1956 HydrophobicContact CB-CE1 4.29Å; L1850-F1956 HydrophobicContact CD2-CB 4.43Å; Y1951-F1956 WeakPolarHBondContact O-CB 3.22Å; Y1951-F1956 PolarHBondContact O-N 2.75Å; L1952-F1956 HydrophobicContact CD1-CD1 3.98Å; L1952-F1956 PolarHBondContact O-N 2.79Å; F1956-P1959 WeakPolarHBondContact O-CD 3.45Å; F1956-I1960 HydrophobicContact CD1-CD1 4.15Å; F1956-I1960 HydrophobicContact CD2-CD1 3.79Å; F1956-I1960 HydrophobicContact CE1-CD1 3.77Å; F1956-I1960 HydrophobicContact CE2-CD1 3.37Å; F1956-I1960 HydrophobicContact CG-CD1 4.18Å; F1956-I1960 HydrophobicContact CZ-CD1 3.36Å; F1956-I1960 WeakPolarHBondContact O-CG1 3.02Å |
| 1957 | I | 90.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | -175.2 | -66.5 | 175.9 | 0 | 0 | 0 | 112.7 | L1952 I1960 E1961 V1971 L1975 | L1952-I1957 HydrophobicContact CD1-CD1 4.44Å; L1952-I1957 HydrophobicContact CD1-CG1 4.4Å; L1952-I1957 HydrophobicContact CG-CD1 4.01Å; L1952-I1957 HydrophobicContact CG-CG1 4.36Å; L1952-I1957 WeakPolarHBondContact O-CG1 3.5Å; L1952-I1957 PolarHBondContact O-N 2.84Å; I1957-I1960 PolarHBondContact O-N 3.19Å; I1957-E1961 HydrophobicContact CG2-CB 4.41Å; I1957-E1961 VanDerWaalsContact O-CB 3.29Å; I1957-E1961 WeakPolarHBondContact O-CB 3.46Å; I1957-E1961 PolarHBondContact O-N 3.15Å; I1957-V1971 HydrophobicContact CG2-CG1 4.34Å; I1957-L1975 HydrophobicContact CD1-CD1 3.46Å; I1957-L1975 VanDerWaalsContact CD1-CD1 3.46Å; I1957-L1975 HydrophobicContact CG1-CD1 3.63Å |
| 1958 | P | 92.5 | Very high | 89.6 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -40.2 | -168.9 | -23.4 | 33.7 | 0 | 0 | 0 | 116.3 | R1962 | P1958-R1962 WeakPolarHBondContact O-CG 3.32Å; P1958-R1962 PolarHBondContact O-N 2.9Å |
| 1959 | P | 92.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.045 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 176.6 | -21.3 | 34.1 | 0 | 0 | 0 | 112.6 | E1778 V1788 L1792 Q1955 F1956 E1961 R1962 M1963 | E1778-P1959 HydrophobicContact CB-CB 4.29Å; E1778-P1959 HydrophobicContact CB-CG 4.33Å; E1778-P1959 HydrophobicContact CG-CB 4.14Å; E1778-P1959 HydrophobicContact CG-CG 3.81Å; V1788-P1959 HydrophobicContact CG1-CB 4.42Å; V1788-P1959 HydrophobicContact CG1-CG 3.83Å; L1792-P1959 HydrophobicContact CD2-CB 4.05Å; Q1955-P1959 VanDerWaalsContact O-CD 3.31Å; Q1955-P1959 WeakPolarHBondContact O-CD 3.43Å; F1956-P1959 WeakPolarHBondContact O-CD 3.45Å; P1959-E1961 VanDerWaalsContact C-N 3.35Å; P1959-R1962 PolarHBondContact O-N 2.84Å; P1959-M1963 PolarHBondContact O-N 3.11Å; P1959-M1963 VanDerWaalsContact O-N 3.08Å |
| 1960 | I | 91.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.3 | -53.9 | 176.6 | 0 | 0 | 0 | 109.5 | L1792 Y1795 M1839 I1843 F1956 I1957 R1962 M1963 T1964 V1971 | L1792-I1960 HydrophobicContact CD1-CG1 4.47Å; Y1795-I1960 HydrophobicContact CD2-CD1 4.16Å; Y1795-I1960 HydrophobicContact CE2-CD1 3.94Å; M1839-I1960 HydrophobicContact CE-CG2 4.42Å; I1843-I1960 HydrophobicContact CD1-CG2 3.68Å; I1843-I1960 HydrophobicContact CG1-CD1 4.49Å; I1843-I1960 HydrophobicContact CG1-CG2 4.38Å; F1956-I1960 HydrophobicContact CD1-CD1 4.15Å; F1956-I1960 HydrophobicContact CD2-CD1 3.79Å; F1956-I1960 HydrophobicContact CE1-CD1 3.77Å; F1956-I1960 HydrophobicContact CE2-CD1 3.37Å; F1956-I1960 HydrophobicContact CG-CD1 4.18Å; F1956-I1960 HydrophobicContact CZ-CD1 3.36Å; F1956-I1960 WeakPolarHBondContact O-CG1 3.02Å; I1957-I1960 PolarHBondContact O-N 3.19Å; I1960-R1962 VanDerWaalsContact C-N 3.33Å; I1960-R1962 PolarHBondContact O-N 3.47Å; I1960-M1963 WeakPolarHBondContact O-CB 3.2Å; I1960-M1963 PolarHBondContact O-N 3.39Å; I1960-T1964 HydrophobicContact CG2-CG2 4.1Å; I1960-T1964 WeakPolarHBondContact O-CB 3.2Å; I1960-T1964 VanDerWaalsContact O-CG2 3.31Å; I1960-T1964 WeakPolarHBondContact O-CG2 3.13Å; I1960-T1964 PolarHBondContact O-N 2.97Å; I1960-T1964 PolarHBondContact O-OG1 3.29Å; I1960-V1971 HydrophobicContact CB-CG2 4.47Å; I1960-V1971 HydrophobicContact CG2-CG1 4.36Å; I1960-V1971 HydrophobicContact CG2-CG2 3.69Å |
| 1961 | E | 91.6 | Very high | 89.6 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55 | -46.6 | 174.9 | -175.9 | 164.2 | -143.4 | 0 | 0 | 111.6 | I1957 P1959 T1964 Q1965 R1972 | I1957-E1961 HydrophobicContact CG2-CB 4.41Å; I1957-E1961 VanDerWaalsContact O-CB 3.29Å; I1957-E1961 WeakPolarHBondContact O-CB 3.46Å; I1957-E1961 PolarHBondContact O-N 3.15Å; P1959-E1961 VanDerWaalsContact C-N 3.35Å; E1961-T1964 WeakPolarHBondContact CA-OG1 3.31Å; E1961-T1964 PolarHBondContact O-N 3.31Å; E1961-T1964 PolarHBondContact O-OG1 3.45Å; E1961-Q1965 WeakPolarHBondContact O-CB 3.21Å; E1961-Q1965 PolarHBondContact O-N 3.47Å; E1961-R1972 VanDerWaalsContact OE1-CD 3.29Å; E1961-R1972 WeakPolarHBondContact OE1-CD 3.41Å; E1961-R1972 WeakPolarHBondContact OE1-CG 3.45Å; E1961-R1972 IonicContact OE1-CZ 2.63Å; E1961-R1972 IonicContact OE1-NE 2.66Å; E1961-R1972 PolarHBondContact OE1-NE 2.83Å; E1961-R1972 IonicContact OE1-NH2 2.78Å; E1961-R1972 IonicContact OE2-CZ 3.65Å; E1961-R1972 IonicContact OE2-NE 2.62Å; E1961-R1972 PolarHBondContact OE2-NE 3.22Å; E1961-R1972 IonicContact OE2-NH2 3.67Å; E1961-R1972 PolarHBondContact OE2-NH2 3.25Å |
| 1962 | R | 90.3 | Very high | 89.2 | Confident | 58 Ų | 58 | 47 Ų | 47 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 176.6 | -62 | -171.1 | -34 | -88.2 | -10.9 | 113 | E1752 E1778 P1958 P1959 I1960 T1964 Q1965 V1966 | E1752-R1962 VanDerWaalsContact CD-NE 3.26Å; E1752-R1962 HydrophobicContact CG-CB 4.44Å; E1752-R1962 IonicContact OE1-CZ 2.71Å; E1752-R1962 IonicContact OE1-NE 3.99Å; E1752-R1962 PolarHBondContact OE1-NE 3.48Å; E1752-R1962 IonicContact OE1-NH2 2.73Å; E1752-R1962 PolarHBondContact OE1-NH2 2.99Å; E1752-R1962 IonicContact OE2-CZ 2.68Å; E1752-R1962 IonicContact OE2-NE 3.2Å; E1752-R1962 PolarHBondContact OE2-NE 3.1Å; E1752-R1962 IonicContact OE2-NH2 3.6Å; E1752-R1962 PolarHBondContact OE2-NH2 3.37Å; E1778-R1962 IonicContact OE1-CZ 3.66Å; E1778-R1962 IonicContact OE1-NH1 3.19Å; E1778-R1962 PolarHBondContact OE1-NH1 3.36Å; E1778-R1962 IonicContact OE1-NH2 3.99Å; E1778-R1962 PolarHBondContact OE1-NH2 3.34Å; E1778-R1962 IonicContact OE2-CZ 2.62Å; E1778-R1962 IonicContact OE2-NH1 2.63Å; E1778-R1962 IonicContact OE2-NH2 2.94Å; E1778-R1962 PolarHBondContact OE2-NH2 3.47Å; P1958-R1962 WeakPolarHBondContact O-CG 3.32Å; P1958-R1962 PolarHBondContact O-N 2.9Å; P1959-R1962 PolarHBondContact O-N 2.84Å; I1960-R1962 VanDerWaalsContact C-N 3.33Å; I1960-R1962 PolarHBondContact O-N 3.47Å; R1962-T1964 VanDerWaalsContact C-N 3.29Å; R1962-T1964 PolarHBondContact O-N 2.89Å; R1962-Q1965 PolarHBondContact O-N 3.45Å; R1962-V1966 PolarHBondContact O-N 3.21Å |
| 1963 | M | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.8 | -49.6 | 172.7 | 168.5 | -174.1 | -177.8 | 0 | 0 | 111.5 | L1792 F1796 L1799 M1839 P1959 I1960 | L1792-M1963 HydrophobicContact CD1-SD 3.87Å; F1796-M1963 HydrophobicContact CD1-CE 3.51Å; F1796-M1963 HydrophobicContact CD1-CG 4.39Å; F1796-M1963 HydrophobicContact CD1-SD 3.98Å; F1796-M1963 HydrophobicContact CE1-CB 4.31Å; F1796-M1963 HydrophobicContact CE1-CE 3.65Å; F1796-M1963 HydrophobicContact CE1-CG 3.55Å; F1796-M1963 HydrophobicContact CE1-SD 3.65Å; F1796-M1963 HydrophobicContact CE2-SD 4.22Å; F1796-M1963 HydrophobicContact CG-CE 4.13Å; F1796-M1963 HydrophobicContact CG-SD 4.38Å; F1796-M1963 HydrophobicContact CZ-CB 3.97Å; F1796-M1963 HydrophobicContact CZ-CE 4.37Å; F1796-M1963 HydrophobicContact CZ-CG 3.69Å; F1796-M1963 HydrophobicContact CZ-SD 3.77Å; L1799-M1963 HydrophobicContact CB-CE 4.24Å; L1799-M1963 HydrophobicContact CD2-CE 3.59Å; M1839-M1963 HydrophobicContact CE-CE 3.61Å; M1839-M1963 HydrophobicContact CE-SD 3.77Å; P1959-M1963 PolarHBondContact O-N 3.11Å; P1959-M1963 VanDerWaalsContact O-N 3.08Å; I1960-M1963 WeakPolarHBondContact O-CB 3.2Å; I1960-M1963 PolarHBondContact O-N 3.39Å |
| 1964 | T | 88.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.8 | -29.6 | -176.4 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | I1960 E1961 R1962 V1966 I1967 G1968 W1969 V1971 W1974 | I1960-T1964 HydrophobicContact CG2-CG2 4.1Å; I1960-T1964 WeakPolarHBondContact O-CB 3.2Å; I1960-T1964 VanDerWaalsContact O-CG2 3.31Å; I1960-T1964 WeakPolarHBondContact O-CG2 3.13Å; I1960-T1964 PolarHBondContact O-N 2.97Å; I1960-T1964 PolarHBondContact O-OG1 3.29Å; E1961-T1964 WeakPolarHBondContact CA-OG1 3.31Å; E1961-T1964 PolarHBondContact O-N 3.31Å; E1961-T1964 PolarHBondContact O-OG1 3.45Å; R1962-T1964 VanDerWaalsContact C-N 3.29Å; R1962-T1964 PolarHBondContact O-N 2.89Å; T1964-V1966 VanDerWaalsContact C-N 3.3Å; T1964-V1966 PolarHBondContact O-N 2.84Å; T1964-I1967 CarbonylContact O-C 3.31Å; T1964-I1967 WeakPolarHBondContact O-CA 3.21Å; T1964-I1967 WeakPolarHBondContact O-CB 3.44Å; T1964-I1967 PolarHBondContact O-N 2.85Å; T1964-G1968 PolarHBondContact O-N 2.9Å; T1964-W1969 CarbonylContact C-O 3.59Å; T1964-W1969 HydrophobicContact CG2-CB 4.38Å; T1964-W1969 HydrophobicContact CG2-CE3 4.04Å; T1964-W1969 PolarHBondContact O-N 3.26Å; T1964-V1971 HydrophobicContact CG2-CG2 3.43Å; T1964-V1971 VanDerWaalsContact CG2-CG2 3.43Å; T1964-V1971 WeakPolarHBondContact OG1-CG2 3.41Å; T1964-W1974 HydrophobicContact CG2-CH2 4.07Å; T1964-W1974 HydrophobicContact CG2-CZ3 4.05Å |
| 1965 | Q | 88.7 | Confident | 88.2 | Confident | 138 Ų | 138 | 37.6 Ų | 37.6 | 65% | 0.645 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65 | -35.3 | 178.8 | 179.6 | 175.1 | -18.6 | 0 | 0 | 111.7 | E1961 R1962 I1967 G1968 | E1961-Q1965 WeakPolarHBondContact O-CB 3.21Å; E1961-Q1965 PolarHBondContact O-N 3.47Å; R1962-Q1965 PolarHBondContact O-N 3.45Å; Q1965-I1967 PolarHBondContact O-N 3.4Å; Q1965-G1968 PolarHBondContact O-N 3.34Å; Q1965-G1968 VanDerWaalsContact O-N 3.09Å |
| 1966 | V | 87.9 | Confident | 87.4 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -30 | 172.1 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | V1514 F1515 L1750 R1962 T1964 | V1514-V1966 VanDerWaalsContact C-CG1 3.42Å; F1515-V1966 HydrophobicContact CB-CG1 4.44Å; L1750-V1966 HydrophobicContact CD1-CB 4.3Å; L1750-V1966 HydrophobicContact CD1-CG1 4.11Å; L1750-V1966 HydrophobicContact CD2-CG1 4.38Å; L1750-V1966 HydrophobicContact CG-CB 4.5Å; L1750-V1966 HydrophobicContact CG-CG1 3.99Å; R1962-V1966 PolarHBondContact O-N 3.21Å; T1964-V1966 VanDerWaalsContact C-N 3.3Å; T1964-V1966 PolarHBondContact O-N 2.84Å |
| 1967 | I | 88.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.5 | 176.3 | -52.5 | 167 | 0 | 0 | 0 | 111.1 | F1515 L1750 L1799 L1832 T1964 Q1965 W1969 | F1515-I1967 HydrophobicContact CB-CG1 4.09Å; F1515-I1967 HydrophobicContact CD1-CD1 4.39Å; F1515-I1967 HydrophobicContact CD1-CG1 4.08Å; F1515-I1967 HydrophobicContact CG-CG1 4.26Å; L1750-I1967 HydrophobicContact CD1-CD1 4.31Å; L1750-I1967 HydrophobicContact CD1-CG1 4.22Å; L1799-I1967 HydrophobicContact CD2-CD1 3.61Å; L1832-I1967 HydrophobicContact CD2-CG2 4.13Å; T1964-I1967 CarbonylContact O-C 3.31Å; T1964-I1967 WeakPolarHBondContact O-CA 3.21Å; T1964-I1967 WeakPolarHBondContact O-CB 3.44Å; T1964-I1967 PolarHBondContact O-N 2.85Å; Q1965-I1967 PolarHBondContact O-N 3.4Å; I1967-W1969 HydrophobicContact CB-CD2 4.22Å; I1967-W1969 HydrophobicContact CB-CE3 4.39Å; I1967-W1969 HydrophobicContact CB-CG 4.41Å; I1967-W1969 HydrophobicContact CD1-CE3 4.03Å; I1967-W1969 HydrophobicContact CD1-CH2 4.49Å; I1967-W1969 HydrophobicContact CD1-CZ3 3.95Å; I1967-W1969 HydrophobicContact CG2-CD2 3.7Å; I1967-W1969 HydrophobicContact CG2-CE3 4.12Å; I1967-W1969 HydrophobicContact CG2-CG 4.08Å; I1967-W1969 HydrophobicContact CG2-CH2 4.37Å; I1967-W1969 HydrophobicContact CG2-CZ2 3.95Å; I1967-W1969 HydrophobicContact CG2-CZ3 4.44Å; I1967-W1969 PolarHBondContact O-N 2.82Å |
| 1968 | G | 85.9 | Confident | 85 | Confident | 55 Ų | 55 | 43.3 Ų | 43.3 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -5.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | T1964 Q1965 | T1964-G1968 PolarHBondContact O-N 2.9Å; Q1965-G1968 PolarHBondContact O-N 3.34Å; Q1965-G1968 VanDerWaalsContact O-N 3.09Å |
| 1969 | W | 89.5 | Confident | 83.5 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | trans | -66.9 | 155.3 | 172.1 | -66.6 | -17.3 | 0 | 0 | 0 | 111.4 | L1799 L1832 A1835 E1836 M1839 T1964 I1967 W1974 | L1799-W1969 HydrophobicContact CD1-CH2 3.75Å; L1799-W1969 HydrophobicContact CD1-CZ3 4.23Å; L1832-W1969 HydrophobicContact CD2-CZ2 4.32Å; L1832-W1969 WeakPolarHBondContact O-CZ2 3.45Å; A1835-W1969 HydrophobicContact CB-CH2 3.97Å; A1835-W1969 HydrophobicContact CB-CZ2 4.32Å; E1836-W1969 HydrophobicContact CB-CD2 4.32Å; E1836-W1969 HydrophobicContact CB-CH2 4.4Å; E1836-W1969 HydrophobicContact CB-CZ2 3.66Å; E1836-W1969 HydrophobicContact CG-CD2 3.94Å; E1836-W1969 HydrophobicContact CG-CG 4.04Å; E1836-W1969 HydrophobicContact CG-CZ2 4.23Å; E1836-W1969 PolarHBondContact OE2-NE1 3.06Å; M1839-W1969 HydrophobicContact CB-CZ3 4.3Å; M1839-W1969 HydrophobicContact CG-CZ3 4.02Å; T1964-W1969 CarbonylContact C-O 3.59Å; T1964-W1969 HydrophobicContact CG2-CB 4.38Å; T1964-W1969 HydrophobicContact CG2-CE3 4.04Å; T1964-W1969 PolarHBondContact O-N 3.26Å; I1967-W1969 HydrophobicContact CB-CD2 4.22Å; I1967-W1969 HydrophobicContact CB-CE3 4.39Å; I1967-W1969 HydrophobicContact CB-CG 4.41Å; I1967-W1969 HydrophobicContact CD1-CE3 4.03Å; I1967-W1969 HydrophobicContact CD1-CH2 4.49Å; I1967-W1969 HydrophobicContact CD1-CZ3 3.95Å; I1967-W1969 HydrophobicContact CG2-CD2 3.7Å; I1967-W1969 HydrophobicContact CG2-CE3 4.12Å; I1967-W1969 HydrophobicContact CG2-CG 4.08Å; I1967-W1969 HydrophobicContact CG2-CH2 4.37Å; I1967-W1969 HydrophobicContact CG2-CZ2 3.95Å; I1967-W1969 HydrophobicContact CG2-CZ3 4.44Å; I1967-W1969 PolarHBondContact O-N 2.82Å; W1969-W1974 HydrophobicContact CB-CH2 4.01Å; W1969-W1974 HydrophobicContact CB-CZ2 4.11Å; W1969-W1974 HydrophobicContact CD2-CH2 4.24Å; W1969-W1974 HydrophobicContact CD2-CZ2 4.49Å; W1969-W1974 AromaticContact CE3-CH2 3.93Å; W1969-W1974 HydrophobicContact CE3-CH2 3.93Å; W1969-W1974 HydrophobicContact CG-CH2 4.31Å; W1969-W1974 HydrophobicContact CG-CZ2 4.3Å | ||
| 1970 | R | 86.4 | Confident | 81.7 | Confident | 174 Ų | 174 | 48.3 Ų | 48.3 | 66% | 0.657 | 23% | 0.233 | S | C | * | . | trans | -123.1 | 119.1 | -179.4 | -60 | 180 | -176.9 | -179.7 | 0.5 | 109.5 | Q630 T1973 | Q630-R1970 PolarHBondContact NE2-O 2.93Å; Q630-R1970 PolarHBondContact OE1-O 3.32Å; R1970-T1973 HydrophobicContact CB-CG2 4.35Å; R1970-T1973 WeakPolarHBondContact CB-OG1 3.21Å; R1970-T1973 PolarHBondContact O-OG1 2.83Å | ||
| 1971 | V | 84.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -86.7 | -43.1 | -174.2 | 164.6 | 0 | 0 | 0 | 0 | 114 | I1957 I1960 T1964 T1973 W1974 L1975 | I1957-V1971 HydrophobicContact CG2-CG1 4.34Å; I1960-V1971 HydrophobicContact CB-CG2 4.47Å; I1960-V1971 HydrophobicContact CG2-CG1 4.36Å; I1960-V1971 HydrophobicContact CG2-CG2 3.69Å; T1964-V1971 HydrophobicContact CG2-CG2 3.43Å; T1964-V1971 VanDerWaalsContact CG2-CG2 3.43Å; T1964-V1971 WeakPolarHBondContact OG1-CG2 3.41Å; V1971-T1973 PolarHBondContact O-N 3.23Å; V1971-W1974 HydrophobicContact CB-CE3 4.24Å; V1971-W1974 HydrophobicContact CB-CZ3 4.41Å; V1971-W1974 HydrophobicContact CG2-CE3 3.76Å; V1971-W1974 HydrophobicContact CG2-CH2 4.32Å; V1971-W1974 HydrophobicContact CG2-CZ3 3.46Å; V1971-W1974 VanDerWaalsContact CG2-CZ3 3.46Å; V1971-W1974 WeakPolarHBondContact O-CB 3.45Å; V1971-W1974 PolarHBondContact O-N 2.94Å; V1971-L1975 HydrophobicContact CG1-CD1 4.08Å |
| 1972 | R | 83.8 | Confident | 77.5 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 46% | 0.464 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -50.1 | -39.4 | -179.1 | -67.6 | -178.4 | 179.9 | -82.6 | -25.1 | 111.8 | E629 E1961 L1975 R1980 | E629-R1972 VanDerWaalsContact OE1-C 3.25Å; E1961-R1972 VanDerWaalsContact OE1-CD 3.29Å; E1961-R1972 WeakPolarHBondContact OE1-CD 3.41Å; E1961-R1972 WeakPolarHBondContact OE1-CG 3.45Å; E1961-R1972 IonicContact OE1-CZ 2.63Å; E1961-R1972 IonicContact OE1-NE 2.66Å; E1961-R1972 PolarHBondContact OE1-NE 2.83Å; E1961-R1972 IonicContact OE1-NH2 2.78Å; E1961-R1972 IonicContact OE2-CZ 3.65Å; E1961-R1972 IonicContact OE2-NE 2.62Å; E1961-R1972 PolarHBondContact OE2-NE 3.22Å; E1961-R1972 IonicContact OE2-NH2 3.67Å; E1961-R1972 PolarHBondContact OE2-NH2 3.25Å; R1972-L1975 WeakPolarHBondContact O-CA 3.4Å; R1972-L1975 WeakPolarHBondContact O-CB 3.34Å; R1972-L1975 PolarHBondContact O-N 3.35Å; R1972-R1980 PolarHBondContact O-NH2 2.69Å |
| 1973 | T | 84.6 | Confident | 74.8 | Confident | 17 Ų | 17 | 60 Ų | 60 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -69.5 | -29 | -174.6 | 42.1 | 0 | 0 | 0 | 0 | 112 | E629 Q630 R1970 V1971 L1975 S1976 | E629-T1973 WeakPolarHBondContact CA-O 3.5Å; E629-T1973 HydrophobicContact CB-CG2 4.18Å; E629-T1973 HydrophobicContact CG-CG2 3.82Å; E629-T1973 VanDerWaalsContact OE1-CA 3.26Å; E629-T1973 WeakPolarHBondContact OE1-CA 2.9Å; E629-T1973 VanDerWaalsContact OE1-CG2 3.29Å; E629-T1973 WeakPolarHBondContact OE1-CG2 3.31Å; E629-T1973 PolarHBondContact OE1-N 2.99Å; Q630-T1973 VanDerWaalsContact CB-C 3.48Å; Q630-T1973 WeakPolarHBondContact CB-O 3.46Å; Q630-T1973 PolarHBondContact N-O 3.21Å; Q630-T1973 PolarHBondContact OE1-OG1 3.36Å; R1970-T1973 HydrophobicContact CB-CG2 4.35Å; R1970-T1973 WeakPolarHBondContact CB-OG1 3.21Å; R1970-T1973 PolarHBondContact O-OG1 2.83Å; V1971-T1973 PolarHBondContact O-N 3.23Å; T1973-L1975 PolarHBondContact O-N 3.32Å; T1973-S1976 PolarHBondContact O-OG 2.87Å |
| 1974 | W | 83.7 | Confident | 72 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -71 | -9.6 | 169.2 | -64.7 | -33.2 | 0 | 0 | 0 | 112.8 | Q630 E1836 R1840 I1843 Q1844 T1964 W1969 V1971 | Q630-W1974 VanDerWaalsContact CD-NE1 3.34Å; E1836-W1974 HydrophobicContact CG-CH2 4.44Å; E1836-W1974 HydrophobicContact CG-CZ2 3.61Å; R1840-W1974 HydrophobicContact CB-CD2 4.06Å; R1840-W1974 HydrophobicContact CB-CG 4.25Å; R1840-W1974 HydrophobicContact CG-CB 4.06Å; R1840-W1974 HydrophobicContact CG-CD2 3.99Å; R1840-W1974 HydrophobicContact CG-CG 3.65Å; I1843-W1974 HydrophobicContact CD1-CE3 3.77Å; I1843-W1974 HydrophobicContact CD1-CZ3 3.41Å; I1843-W1974 VanDerWaalsContact CD1-CZ3 3.41Å; I1843-W1974 HydrophobicContact CG2-CE3 4.41Å; Q1844-W1974 HydrophobicContact CG-CB 4.49Å; Q1844-W1974 WeakPolarHBondContact CG-O 3.07Å; Q1844-W1974 PolarHBondContact NE2-O 3.18Å; T1964-W1974 HydrophobicContact CG2-CH2 4.07Å; T1964-W1974 HydrophobicContact CG2-CZ3 4.05Å; W1969-W1974 HydrophobicContact CB-CH2 4.01Å; W1969-W1974 HydrophobicContact CB-CZ2 4.11Å; W1969-W1974 HydrophobicContact CD2-CH2 4.24Å; W1969-W1974 HydrophobicContact CD2-CZ2 4.49Å; W1969-W1974 AromaticContact CE3-CH2 3.93Å; W1969-W1974 HydrophobicContact CE3-CH2 3.93Å; W1969-W1974 HydrophobicContact CG-CH2 4.31Å; W1969-W1974 HydrophobicContact CG-CZ2 4.3Å; V1971-W1974 HydrophobicContact CB-CE3 4.24Å; V1971-W1974 HydrophobicContact CB-CZ3 4.41Å; V1971-W1974 HydrophobicContact CG2-CE3 3.76Å; V1971-W1974 HydrophobicContact CG2-CH2 4.32Å; V1971-W1974 HydrophobicContact CG2-CZ3 3.46Å; V1971-W1974 VanDerWaalsContact CG2-CZ3 3.46Å; V1971-W1974 WeakPolarHBondContact O-CB 3.45Å; V1971-W1974 PolarHBondContact O-N 2.94Å |
| 1975 | L | 77.7 | Confident | 69.1 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -115.7 | 8.9 | -170.2 | -50 | 170.4 | 0 | 0 | 0 | 112.6 | I1843 A1847 I1957 V1971 R1972 T1973 L1978 R1980 | I1843-L1975 HydrophobicContact CG2-CD2 4.17Å; A1847-L1975 HydrophobicContact CB-CD2 3.94Å; I1957-L1975 HydrophobicContact CD1-CD1 3.46Å; I1957-L1975 VanDerWaalsContact CD1-CD1 3.46Å; I1957-L1975 HydrophobicContact CG1-CD1 3.63Å; V1971-L1975 HydrophobicContact CG1-CD1 4.08Å; R1972-L1975 WeakPolarHBondContact O-CA 3.4Å; R1972-L1975 WeakPolarHBondContact O-CB 3.34Å; R1972-L1975 PolarHBondContact O-N 3.35Å; T1973-L1975 PolarHBondContact O-N 3.32Å; L1975-L1978 HydrophobicContact CD2-CD1 3.51Å; L1975-L1978 HydrophobicContact CD2-CG 4.47Å; L1975-R1980 VanDerWaalsContact O-CZ 3.22Å; L1975-R1980 PolarHBondContact O-NE 3.38Å; L1975-R1980 PolarHBondContact O-NH2 2.78Å |
| 1976 | S | 74.9 | Confident | 66.2 | Low | 46 Ų | 46 | 76.7 Ų | 76.7 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -63.7 | -44.5 | 166.4 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | E629 T1973 L1978 | E629-S1976 VanDerWaalsContact CB-CB 3.42Å; E629-S1976 WeakPolarHBondContact CB-OG 3.37Å; E629-S1976 VanDerWaalsContact OE2-CB 3.3Å; E629-S1976 WeakPolarHBondContact OE2-CB 3.3Å; T1973-S1976 PolarHBondContact O-OG 2.87Å; S1976-L1978 PolarHBondContact O-N 2.74Å |
| 1977 | E | 67.5 | Low | 63.7 | Low | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -68.5 | -24.6 | -173.9 | -52.8 | -168.8 | 124.7 | 0 | 0 | 112.4 | I631 R1840 Q1844 | I631-E1977 VanDerWaalsContact O-OE2 3.1Å; R1840-E1977 IonicContact CZ-OE2 3.52Å; R1840-E1977 IonicContact NH1-OE2 2.71Å; R1840-E1977 PolarHBondContact NH1-OE2 3.34Å; R1840-E1977 IonicContact NH2-OE2 2.76Å; R1840-E1977 PolarHBondContact NH2-OE2 2.91Å; Q1844-E1977 PolarHBondContact NE2-OE2 2.74Å |
| 1978 | L | 65.7 | Low | 60.8 | Low | 18 Ų | 18 | 87.3 Ų | 87.3 | 9% | 0.094 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -73 | 128.1 | 176.6 | -64 | -177.4 | 0 | 0 | 0 | 110.3 | A1847 I1851 L1975 S1976 R1980 | A1847-L1978 HydrophobicContact CB-CD1 3.44Å; A1847-L1978 VanDerWaalsContact CB-CD1 3.44Å; I1851-L1978 HydrophobicContact CD1-CB 4.35Å; I1851-L1978 HydrophobicContact CD1-CD1 4.5Å; L1975-L1978 HydrophobicContact CD2-CD1 3.51Å; L1975-L1978 HydrophobicContact CD2-CG 4.47Å; S1976-L1978 PolarHBondContact O-N 2.74Å; L1978-R1980 VanDerWaalsContact O-CG 3.31Å; L1978-R1980 WeakPolarHBondContact O-CG 3.4Å; L1978-R1980 PolarHBondContact O-N 3.45Å |
| 1979 | P | 59.5 | Low | 58.3 | Low | 39 Ų | 39 | 90.8 Ų | 90.8 | 25% | 0.253 | 41% | 0.413 | S | S | . | . | trans | -67.8 | 97.3 | -173.7 | 25.7 | -34.5 | 0 | 0 | 0 | 112.2 | Y1981 I1990 | P1979-Y1981 PolarHBondContact O-N 3.24Å; P1979-I1990 HydrophobicContact CB-CG2 3.87Å; P1979-I1990 HydrophobicContact CG-CG2 4.44Å | ||
| 1980 | R | 56.5 | Low | 55.5 | Low | 112 Ų | 112 | 92.8 Ų | 92.8 | 42% | 0.423 | 43% | 0.425 | S | S | . | . | trans | -73.9 | 107.1 | -178.5 | -51.6 | -163.8 | -167.2 | -160.8 | 18 | 110.9 | E629 R1972 L1975 L1978 L1982 | E629-R1980 IonicContact OE2-NH2 3.79Å; E629-R1980 PolarHBondContact OE2-NH2 3.04Å; R1972-R1980 PolarHBondContact O-NH2 2.69Å; L1975-R1980 VanDerWaalsContact O-CZ 3.22Å; L1975-R1980 PolarHBondContact O-NE 3.38Å; L1975-R1980 PolarHBondContact O-NH2 2.78Å; L1978-R1980 VanDerWaalsContact O-CG 3.31Å; L1978-R1980 WeakPolarHBondContact O-CG 3.4Å; L1978-R1980 PolarHBondContact O-N 3.45Å; R1980-L1982 PolarHBondContact O-N 3.09Å | ||
| 1981 | Y | 52.7 | Low | 52.7 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 35% | 0.349 | 43% | 0.431 | S | S | . | . | trans | -67.1 | 97.5 | -176.9 | -68.9 | -53 | 0 | 0 | 0 | 114 | I1851 P1979 T1983 I1990 | I1851-Y1981 HydrophobicContact CG2-CD2 3.79Å; I1851-Y1981 HydrophobicContact CG2-CE2 3.47Å; I1851-Y1981 VanDerWaalsContact CG2-CE2 3.47Å; P1979-Y1981 PolarHBondContact O-N 3.24Å; Y1981-T1983 PolarHBondContact O-N 3.2Å; Y1981-I1990 HydrophobicContact CE1-CG1 3.91Å | ||
| 1982 | L | 40.3 | Very low | 50 | Low | 155 Ų | 155 | 96.9 Ų | 96.9 | 81% | 0.812 | 46% | 0.463 | S | S | * | . | trans | -63.8 | 115.5 | 166.9 | -78.8 | 167.7 | 0 | 0 | 0 | 111.2 | R1980 S1984 | R1980-L1982 PolarHBondContact O-N 3.09Å; L1982-S1984 PolarHBondContact O-N 3.34Å | ||
| 1983 | T | 34.1 | Very low | 47.3 | Very low | 109 Ų | 109 | 95.9 Ų | 95.9 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | trans | -75.9 | 67.8 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | Y1981 | Y1981-T1983 PolarHBondContact O-N 3.2Š| ||
| 1984 | S | 30.1 | Very low | 44.5 | Very low | 104 Ų | 104 | 103.7 Ų | 103.7 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | trans | -78.6 | 170.8 | 167.5 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | L1982 H1986 | L1982-S1984 PolarHBondContact O-N 3.34Å; S1984-H1986 PolarHBondContact O-N 3.4Å | ||
| 1985 | R | 28.4 | Very low | 41.9 | Very low | 231 Ų | 231 | 109.4 Ų | 109.4 | 87% | 0.872 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -74.8 | 119.6 | -173.1 | -65.8 | -178.2 | -177 | 172.4 | 3.3 | 111.4 | ||
| 1986 | H | 27.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 55.3 | 64.5 | 163.9 | -54.9 | -48.1 | 0 | 0 | 0 | 116 | S1984 | S1984-H1986 PolarHBondContact O-N 3.4Š|
| 1987 | H | 35.2 | Very low | 37.2 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 44% | 0.44 | 61% | 0.61 | S | S | . | * | trans | -178.5 | 163.9 | 132.8 | -90.1 | -59.2 | 0 | 0 | 0 | 108.4 | Y1989 P2052 | H1987-Y1989 HydrophobicContact CB-CD2 4.04Å; H1987-Y1989 HydrophobicContact CB-CE2 3.56Å; H1987-P2052 WeakPolarHBondContact CE1-CD 3.17Å | ||
| 1988 | R | 28.9 | Very low | 35.3 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | trans | -91.3 | 121.9 | 166.2 | -83.1 | 178.8 | 168.2 | 172.9 | -10.3 | 107 | ||||
| 1989 | Y | 31.9 | Very low | 33.5 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 50% | 0.498 | 66% | 0.663 | S | S | . | * | trans | -124.7 | 136.1 | 165.1 | -71.4 | -77.7 | 0 | 0 | 0 | 108 | H1987 L2061 | H1987-Y1989 HydrophobicContact CB-CD2 4.04Å; H1987-Y1989 HydrophobicContact CB-CE2 3.56Å; Y1989-L2061 HydrophobicContact CE1-CD1 3.75Å; Y1989-L2061 HydrophobicContact CE1-CD2 3.91Å; Y1989-L2061 HydrophobicContact CE1-CG 4.39Å; Y1989-L2061 WeakPolarHBondContact OH-CD2 3.4Å | ||
| 1990 | I | 31.6 | Very low | 32.1 | Very low | 66 Ų | 66 | 137 Ų | 137 | 34% | 0.338 | 68% | 0.684 | S | S | . | * | trans | -84.2 | 132.4 | 158.3 | -63.8 | 170.1 | 0 | 0 | 0 | 105.2 | P1979 Y1981 T1992 | P1979-I1990 HydrophobicContact CB-CG2 3.87Å; P1979-I1990 HydrophobicContact CG-CG2 4.44Å; Y1981-I1990 HydrophobicContact CE1-CG1 3.91Å; I1990-T1992 HydrophobicContact CG2-CG2 3.96Å | ||
| 1991 | L | 26.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | trans | -98.8 | 98.4 | 162.5 | -79.4 | 170.2 | 0 | 0 | 0 | 106.5 | ||||
| 1992 | T | 28.9 | Very low | 29.5 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 125 | 166.2 | 39.7 | 0 | 0 | 0 | 0 | 108.3 | I1990 | I1990-T1992 HydrophobicContact CG2-CG2 3.96Š|
| 1993 | S | 27.1 | Very low | 29.1 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 119.8 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 109 | ||
| 1994 | E | 25.1 | Very low | 28.6 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.5 | 172.6 | -65.4 | -177.4 | 143.4 | 0 | 0 | 110.6 | S1996 | E1994-S1996 PolarHBondContact O-N 2.93Š|
| 1995 | P | 28.7 | Very low | 28.6 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -78.7 | 111.2 | 174.1 | 30.5 | -32.2 | 0 | 0 | 0 | 110.3 | H1997 | P1995-H1997 PolarHBondContact O-N 3.07Š| ||
| 1996 | S | 25.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | -80.3 | 102 | -177.7 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | E1994 | E1994-S1996 PolarHBondContact O-N 2.93Š| ||
| 1997 | H | 30.2 | Very low | 28.5 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -78.5 | 139 | 160.8 | -90.9 | -89.7 | 0 | 0 | 0 | 111 | P1995 | P1995-H1997 PolarHBondContact O-N 3.07Š| ||
| 1998 | I | 27.7 | Very low | 28 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -106.4 | 121.8 | 177.2 | -63.4 | 175 | 0 | 0 | 0 | 109.5 | ||||
| 1999 | Y | 27.6 | Very low | 27.8 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -98.9 | 144 | 146.9 | -93.5 | -89.6 | 0 | 0 | 0 | 108.8 | ||||
| 2000 | P | 29.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -89.5 | 178.2 | -169.5 | 35.5 | -37.3 | 0 | 0 | 0 | 114.8 | ||||
| 2001 | S | 29.8 | Very low | 27.4 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 91.7 | 91.3 | 167.4 | 73.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2002 | R | 25.8 | Very low | 27.7 | Very low | 242 Ų | 242 | 147.2 Ų | 147.2 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | 31 | 156.1 | 125.3 | -78.9 | -176 | 176.4 | -178 | -0.3 | 122.1 | |||||
| 2003 | P | 30.7 | Very low | 27.7 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -136.2 | 156.4 | -13.9 | 36.6 | -18 | 0 | 0 | 0 | 116.9 | ||||
| 2004 | Q | 23.2 | Very low | 28.2 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 15.4 | 124.3 | 141.9 | -60.9 | 170.4 | -38 | 0 | 0 | 120 | ||||
| 2005 | H | 30.6 | Very low | 28.1 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | -133.8 | 153.6 | 123.6 | -119.8 | -87.1 | 0 | 0 | 0 | 110.5 | |||||
| 2006 | Q | 26.5 | Very low | 28.2 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | trans | -92.9 | 148.5 | -165.5 | -58.8 | 148.9 | -33.5 | 0 | 0 | 112.2 | ||||
| 2007 | F | 27.3 | Very low | 28.2 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -155.5 | 135.7 | 122.5 | -105.1 | -69 | 0 | 0 | 0 | 110.7 | |||||
| 2008 | T | 24.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -121.7 | 160.1 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 2009 | N | 25.4 | Very low | 27.8 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 144.3 | -178.9 | -41 | -46.4 | 0 | 0 | 0 | 112.4 | ||||
| 2010 | L | 28.5 | Very low | 27.8 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | cis | -116.7 | 162.9 | 23.9 | -65.4 | 117.5 | 0 | 0 | 0 | 112.1 | ||||
| 2011 | G | 25.2 | Very low | 28.2 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 111 | 118.5 | 15.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2012 | S | 32.8 | Very low | 27.9 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -65 | 172.3 | -174.8 | -45.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2013 | P | 30.4 | Very low | 28 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -139.8 | 138.7 | 96.1 | 36.2 | -24.1 | 0 | 0 | 0 | 114.8 | |||||
| 2014 | S | 37 | Very low | 27.6 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -84 | 114.2 | 151.1 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2015 | S | 24.2 | Very low | 27.8 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -144 | 136.5 | 161.2 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 2016 | S | 29.2 | Very low | 27.6 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 133.8 | 169.2 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2017 | F | 26.3 | Very low | 27.6 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -129.6 | 145.3 | 158.9 | -104 | -84.3 | 0 | 0 | 0 | 111.9 | ||||
| 2018 | I | 23.9 | Very low | 27.5 | Very low | 152 Ų | 152 | 128 Ų | 128 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -87.3 | 154.8 | -175.7 | -59.7 | 159.9 | 0 | 0 | 0 | 108.6 | ||||
| 2019 | L | 25.1 | Very low | 27.7 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 131 | 103.7 | 153.4 | -70.2 | 169.5 | 0 | 0 | 0 | 114.3 | ||||
| 2020 | S | 26.8 | Very low | 28 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -71.6 | 168 | 130.3 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2021 | P | 39.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -127.6 | -151.5 | 2.2 | 41.7 | -24.2 | 0 | 0 | 0 | 111.8 | ||||
| 2022 | N | 23.6 | Very low | 28.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 138.6 | 178.6 | -56.9 | -19.6 | 0 | 0 | 0 | 114.7 | ||||
| 2023 | S | 26.4 | Very low | 27.9 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -149.2 | 146.7 | -7.9 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2024 | S | 23.6 | Very low | 27.8 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -34.1 | 137.4 | 151.1 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2025 | Q | 25.9 | Very low | 27.3 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 170.7 | 145.7 | 101.5 | -92.3 | -177.4 | 13.5 | 0 | 0 | 106.7 | |||||
| 2026 | L | 27 | Very low | 27.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | -152.3 | 171.4 | -4.6 | -72.5 | 131.8 | 0 | 0 | 0 | 104.4 | ||||
| 2027 | N | 27.7 | Very low | 27.6 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | cis | -170.6 | 162.1 | -14.8 | -97.7 | -1.3 | 0 | 0 | 0 | 104.3 | ||||
| 2028 | L | 25.3 | Very low | 27.8 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | -160 | -165.6 | -14.4 | -98.9 | 166.8 | 0 | 0 | 0 | 104 | ||||
| 2029 | I | 28.5 | Very low | 28 | Very low | 139 Ų | 139 | 147 Ų | 147 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -152.6 | 178.3 | 8 | -154.7 | 163.3 | 0 | 0 | 0 | 109.5 | ||||
| 2030 | S | 32.2 | Very low | 28.2 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 49.7 | 92.6 | 162.6 | 67.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2031 | Q | 26 | Very low | 28.4 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | 10.8 | 123.1 | 121.7 | -60.2 | 174 | -7.1 | 0 | 0 | 117.8 | |||||
| 2032 | N | 31.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | trans | -155.2 | 142.4 | 136.4 | -131.1 | -45.4 | 0 | 0 | 0 | 111.9 | R2034 | N2032-R2034 PolarHBondContact O-N 3.11Š| ||
| 2033 | Q | 25.7 | Very low | 28.8 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -69.3 | 123.7 | -171.8 | -62.8 | 177.7 | 0 | 0 | 0 | 111.7 | ||||
| 2034 | R | 27.4 | Very low | 29.2 | Very low | 242 Ų | 242 | 140.3 Ų | 140.3 | 91% | 0.913 | 71% | 0.714 | S | S | * | * | trans | -123.8 | 119.5 | 171.7 | -73.3 | -168.6 | 173.1 | -171.2 | -0.5 | 112.5 | N2032 | N2032-R2034 PolarHBondContact O-N 3.11Š| ||
| 2035 | K | 28.2 | Very low | 29.9 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66 | 157.6 | 170 | -71.4 | 152.5 | -177.8 | 155.7 | 0 | 110.2 | ||
| 2036 | P | 28.3 | Very low | 30.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 142 | 179.7 | 23 | -34.5 | 0 | 0 | 0 | 112.1 | Y2038 | P2036-Y2038 PolarHBondContact O-N 2.88Š|
| 2037 | P | 31.1 | Very low | 30.9 | Very low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 122 | -172.8 | 26.9 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 2038 | Y | 30.4 | Very low | 31.5 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 142.2 | 174.6 | -92.8 | -124.4 | 0 | 0 | 0 | 111.5 | T1118 P2036 P2040 | T1118-Y2038 HydrophobicContact CG2-CE1 4.47Å; P2036-Y2038 PolarHBondContact O-N 2.88Å; Y2038-P2040 WeakPolarHBondContact O-CD 3.47Å |
| 2039 | R | 27.5 | Very low | 32.2 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.2 | 169.4 | -73.7 | 176.8 | 170.7 | 177.5 | -1 | 109.7 | ||
| 2040 | P | 29.3 | Very low | 33.2 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 52% | 0.519 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 154.9 | 177.2 | 30.9 | -36 | 0 | 0 | 0 | 112.6 | Y2038 M2044 | Y2038-P2040 WeakPolarHBondContact O-CD 3.47Å; P2040-M2044 HydrophobicContact CB-CG 3.64Å; P2040-M2044 HydrophobicContact CG-CE 4.43Å; P2040-M2044 HydrophobicContact CG-CG 3.33Å; P2040-M2044 HydrophobicContact CG-SD 4.15Å |
| 2041 | S | 30.6 | Very low | 34.3 | Very low | 62 Ų | 62 | 133.5 Ų | 133.5 | 43% | 0.434 | 68% | 0.676 | S | S | . | * | trans | -90.3 | -156.5 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | F2043 M2044 | S2041-F2043 PolarHBondContact O-N 3.16Å; S2041-M2044 PolarHBondContact O-N 3.14Å | ||
| 2042 | S | 36.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -53.2 | -16.2 | -179.4 | 35 | 0 | 0 | 0 | 0 | 115.6 | M2044 R2045 | S2042-M2044 PolarHBondContact O-N 2.79Å; S2042-R2045 PolarHBondContact O-N 3.22Å |
| 2043 | F | 35.2 | Very low | 37.3 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -54.8 | -28.7 | 174.3 | -152.6 | -111.4 | 0 | 0 | 0 | 113.5 | S2041 R2045 A2046 F2047 | S2041-F2043 PolarHBondContact O-N 3.16Å; F2043-R2045 PolarHBondContact O-N 2.92Å; F2043-R2045 VanDerWaalsContact O-N 3.13Å; F2043-A2046 WeakPolarHBondContact O-CB 3.48Å; F2043-A2046 PolarHBondContact O-N 3.31Å; F2043-F2047 HydrophobicContact CD1-CD2 4.14Å; F2043-F2047 AromaticContact CD1-CE2 3.83Å; F2043-F2047 HydrophobicContact CD1-CE2 3.83Å; F2043-F2047 HydrophobicContact CE1-CD2 4.26Å; F2043-F2047 AromaticContact CE1-CE2 3.49Å; F2043-F2047 HydrophobicContact CE1-CE2 3.49Å; F2043-F2047 VanDerWaalsContact CE1-CE2 3.49Å; F2043-F2047 HydrophobicContact CE1-CZ 4.3Å; F2043-F2047 HydrophobicContact CZ-CE2 4.25Å |
| 2044 | M | 34.1 | Very low | 39.6 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 42% | 0.419 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -63.3 | -16 | 177.8 | -83.3 | -70.5 | -95.2 | 0 | 0 | 114.9 | P2040 S2041 S2042 A2046 F2047 V2048 | P2040-M2044 HydrophobicContact CB-CG 3.64Å; P2040-M2044 HydrophobicContact CG-CE 4.43Å; P2040-M2044 HydrophobicContact CG-CG 3.33Å; P2040-M2044 HydrophobicContact CG-SD 4.15Å; S2041-M2044 PolarHBondContact O-N 3.14Å; S2042-M2044 PolarHBondContact O-N 2.79Å; M2044-A2046 PolarHBondContact O-N 3.41Å; M2044-F2047 PolarHBondContact O-N 3.08Å; M2044-F2047 HydrophobicContact SD-CB 4.11Å; M2044-V2048 PolarHBondContact O-N 3.49Å |
| 2045 | R | 40 | Very low | 42.1 | Very low | 209 Ų | 209 | 104.7 Ų | 104.7 | 79% | 0.789 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -65.5 | -13.7 | 170.3 | -81.2 | -164.7 | -176 | 178.7 | 3.7 | 113.8 | S2042 F2043 | S2042-R2045 PolarHBondContact O-N 3.22Å; F2043-R2045 PolarHBondContact O-N 2.92Å; F2043-R2045 VanDerWaalsContact O-N 3.13Å |
| 2046 | A | 36.6 | Very low | 44.2 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -92.3 | -6.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F2043 M2044 | F2043-A2046 WeakPolarHBondContact O-CB 3.48Å; F2043-A2046 PolarHBondContact O-N 3.31Å; M2044-A2046 PolarHBondContact O-N 3.41Å |
| 2047 | F | 37.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | -12.6 | -172.6 | -70.7 | -83 | 0 | 0 | 0 | 114.8 | F2043 M2044 | F2043-F2047 HydrophobicContact CD1-CD2 4.14Å; F2043-F2047 AromaticContact CD1-CE2 3.83Å; F2043-F2047 HydrophobicContact CD1-CE2 3.83Å; F2043-F2047 HydrophobicContact CE1-CD2 4.26Å; F2043-F2047 AromaticContact CE1-CE2 3.49Å; F2043-F2047 HydrophobicContact CE1-CE2 3.49Å; F2043-F2047 VanDerWaalsContact CE1-CE2 3.49Å; F2043-F2047 HydrophobicContact CE1-CZ 4.3Å; F2043-F2047 HydrophobicContact CZ-CE2 4.25Å; M2044-F2047 PolarHBondContact O-N 3.08Å; M2044-F2047 HydrophobicContact SD-CB 4.11Å |
| 2048 | V | 40 | Very low | 48.9 | Very low | 70 Ų | 70 | 93.2 Ų | 93.2 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -75.2 | 127.2 | 157.2 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | M2044 | M2044-V2048 PolarHBondContact O-N 3.49Š|
| 2049 | G | 40 | Very low | 51 | Low | 56 Ų | 56 | 90.5 Ų | 90.5 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | trans | -56.6 | 165.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2050 | Q | 49.4 | Very low | 53.5 | Low | 101 Ų | 101 | 83.7 Ų | 83.7 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | trans | -45.7 | 134 | -174.4 | -69.4 | -176.4 | -8.2 | 0 | 0 | 111.5 | N2064 | Q2050-N2064 PolarHBondContact O-ND2 3.17Š| ||
| 2051 | P | 53.9 | Low | 55.6 | Low | 94 Ų | 94 | 83.8 Ų | 83.8 | 61% | 0.61 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 133.4 | 174.8 | 26.1 | -33.8 | 0 | 0 | 0 | 107.7 | Q2053 | P2051-Q2053 PolarHBondContact O-N 3.43Š|
| 2052 | P | 57.8 | Low | 57.7 | Low | 30 Ų | 30 | 81.1 Ų | 81.1 | 20% | 0.195 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -56 | 130.1 | -174.9 | 25.6 | -34.7 | 0 | 0 | 0 | 108.3 | H1987 L2061 | H1987-P2052 WeakPolarHBondContact CE1-CD 3.17Å; P2052-L2061 HydrophobicContact CB-CD1 3.63Å; P2052-L2061 HydrophobicContact CB-CD2 4.27Å; P2052-L2061 HydrophobicContact CB-CG 3.96Å; P2052-L2061 HydrophobicContact CG-CD1 3.72Å; P2052-L2061 HydrophobicContact CG-CG 4.47Å |
| 2053 | Q | 63.9 | Low | 59.3 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 27% | 0.266 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 147.9 | 179.6 | -66.1 | -170.6 | 22.1 | 0 | 0 | 109.1 | P2051 I2062 N2064 T2068 | P2051-Q2053 PolarHBondContact O-N 3.43Å; Q2053-I2062 HydrophobicContact CB-CB 4.01Å; Q2053-I2062 PolarHBondContact N-O 3.43Å; Q2053-I2062 PolarHBondContact O-N 3.41Å; Q2053-N2064 PolarHBondContact N-OD1 3.07Å; Q2053-T2068 PolarHBondContact OE1-OG1 3.47Å |
| 2054 | I | 73.5 | Confident | 60.8 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.8 | -179.6 | -69.7 | 175.3 | 0 | 0 | 0 | 105.8 | P2056 E2059 S2060 L2061 | I2054-P2056 VanDerWaalsContact O-CD 3.29Å; I2054-P2056 WeakPolarHBondContact O-CD 3.27Å; I2054-E2059 HydrophobicContact CG2-CB 4.23Å; I2054-S2060 WeakPolarHBondContact CA-O 3.38Å; I2054-L2061 HydrophobicContact CD1-CD1 4.34Å; I2054-L2061 HydrophobicContact CG1-CD1 3.88Å |
| 2055 | C | 80.5 | Confident | 62.4 | Low | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -63.6 | 122.4 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | S2057 C2058 E2059 S2060 I2062 C2074 C2077 | C2055-S2057 PolarHBondContact O-N 3.47Å; C2055-S2057 PolarHBondContact SG-N 3.41Å; C2055-S2057 VanDerWaalsContact SG-N 3.43Å; C2055-C2058 VanDerWaalsContact CB-SG 3.52Å; C2055-C2058 PolarHBondContact O-N 3.33Å; C2055-E2059 VanDerWaalsContact O-CA 3.32Å; C2055-E2059 WeakPolarHBondContact O-CA 3.12Å; C2055-E2059 PolarHBondContact O-N 2.86Å; C2055-S2060 PolarHBondContact N-O 3.26Å; C2055-S2060 VanDerWaalsContact N-O 3.08Å; C2055-I2062 HydrophobicContact CB-CD1 3.99Å; C2055-I2062 HydrophobicContact CB-CG1 4.44Å; C2055-C2074 HydrophobicContact CB-CB 3.99Å; C2055-C2074 PolarHBondContact SG-N 3.01Å; C2055-C2074 PolarHBondContact SG-SG 2.74Å; C2055-C2077 VanDerWaalsContact SG-SG 3.65Å | ||
| 2056 | P | 73.2 | Confident | 63.8 | Low | 66 Ų | 66 | 70.9 Ų | 70.9 | 43% | 0.429 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.3 | 177.1 | -22.1 | 32.7 | 0 | 0 | 0 | 115.3 | I2054 G2072 | I2054-P2056 VanDerWaalsContact O-CD 3.29Å; I2054-P2056 WeakPolarHBondContact O-CD 3.27Å; P2056-G2072 VanDerWaalsContact CD-C 3.47Å; P2056-G2072 WeakPolarHBondContact CD-O 3.14Å |
| 2057 | S | 76.6 | Confident | 65.2 | Low | 53 Ų | 53 | 75.5 Ų | 75.5 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -25.4 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 115.2 | C2055 H2073 | C2055-S2057 PolarHBondContact O-N 3.47Å; C2055-S2057 PolarHBondContact SG-N 3.41Å; C2055-S2057 VanDerWaalsContact SG-N 3.43Å; S2057-H2073 PolarHBondContact OG-CD2 3.18Å; S2057-H2073 PolarHBondContact OG-NE2 3.36Å |
| 2058 | C | 81 | Confident | 66.9 | Low | 60 Ų | 60 | 69.8 Ų | 69.8 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | 6.1 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | C2055 S2060 C2077 | C2055-C2058 VanDerWaalsContact CB-SG 3.52Å; C2055-C2058 PolarHBondContact O-N 3.33Å; C2058-S2060 PolarHBondContact O-N 3.5Å; C2058-S2060 PolarHBondContact SG-OG 3.47Å; C2058-C2077 PolarHBondContact SG-SG 2.75Å |
| 2059 | E | 74.6 | Confident | 68.5 | Low | 123 Ų | 123 | 67.6 Ų | 67.6 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | trans | 54 | 8.9 | 179.3 | -52.3 | -159.4 | 157.6 | 0 | 0 | 116.4 | I2054 C2055 L2061 | I2054-E2059 HydrophobicContact CG2-CB 4.23Å; C2055-E2059 VanDerWaalsContact O-CA 3.32Å; C2055-E2059 WeakPolarHBondContact O-CA 3.12Å; C2055-E2059 PolarHBondContact O-N 2.86Å; E2059-L2061 PolarHBondContact O-N 3.47Å | ||
| 2060 | S | 78.4 | Confident | 70 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | trans | -59.8 | 137.7 | 175.9 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | I2054 C2055 C2058 I2062 | I2054-S2060 WeakPolarHBondContact CA-O 3.38Å; C2055-S2060 PolarHBondContact N-O 3.26Å; C2055-S2060 VanDerWaalsContact N-O 3.08Å; C2058-S2060 PolarHBondContact O-N 3.5Å; C2058-S2060 PolarHBondContact SG-OG 3.47Å; S2060-I2062 WeakPolarHBondContact O-CG1 3.34Å; S2060-I2062 PolarHBondContact O-N 2.95Å | ||
| 2061 | L | 75.3 | Confident | 71 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.3 | 177.3 | -162 | 78.1 | 0 | 0 | 0 | 109.4 | Y1989 P2052 I2054 E2059 P2063 | Y1989-L2061 HydrophobicContact CE1-CD1 3.75Å; Y1989-L2061 HydrophobicContact CE1-CD2 3.91Å; Y1989-L2061 HydrophobicContact CE1-CG 4.39Å; Y1989-L2061 WeakPolarHBondContact OH-CD2 3.4Å; P2052-L2061 HydrophobicContact CB-CD1 3.63Å; P2052-L2061 HydrophobicContact CB-CD2 4.27Å; P2052-L2061 HydrophobicContact CB-CG 3.96Å; P2052-L2061 HydrophobicContact CG-CD1 3.72Å; P2052-L2061 HydrophobicContact CG-CG 4.47Å; I2054-L2061 HydrophobicContact CD1-CD1 4.34Å; I2054-L2061 HydrophobicContact CG1-CD1 3.88Å; E2059-L2061 PolarHBondContact O-N 3.47Å; L2061-P2063 WeakPolarHBondContact O-CD 3.48Å |
| 2062 | I | 74 | Confident | 72.1 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.2 | -177.9 | -48.6 | 178.4 | 0 | 0 | 0 | 108.5 | Q2053 C2055 S2060 N2064 T2068 G2072 C2074 | Q2053-I2062 HydrophobicContact CB-CB 4.01Å; Q2053-I2062 PolarHBondContact N-O 3.43Å; Q2053-I2062 PolarHBondContact O-N 3.41Å; C2055-I2062 HydrophobicContact CB-CD1 3.99Å; C2055-I2062 HydrophobicContact CB-CG1 4.44Å; S2060-I2062 WeakPolarHBondContact O-CG1 3.34Å; S2060-I2062 PolarHBondContact O-N 2.95Å; I2062-N2064 PolarHBondContact O-N 3.22Å; I2062-T2068 HydrophobicContact CD1-CG2 3.6Å; I2062-T2068 HydrophobicContact CG2-CG2 3.8Å; I2062-G2072 WeakPolarHBondContact CD1-O 3.37Å; I2062-C2074 HydrophobicContact CD1-CB 3.61Å; I2062-C2074 HydrophobicContact CG1-CB 3.97Å |
| 2063 | P | 69.6 | Low | 73.2 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | trans | -55.6 | 138.3 | 169.3 | -23.9 | 33.4 | 0 | 0 | 0 | 111 | L2061 T2065 S2066 | L2061-P2063 WeakPolarHBondContact O-CD 3.48Å; P2063-T2065 PolarHBondContact O-N 2.94Å; P2063-S2066 WeakPolarHBondContact CD-OG 3.19Å; P2063-S2066 WeakPolarHBondContact O-CB 3.47Å; P2063-S2066 PolarHBondContact O-N 3.49Å; P2063-S2066 PolarHBondContact O-OG 3.12Å | ||
| 2064 | N | 67.4 | Low | 74.3 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -1.4 | -178 | -64.1 | -30.6 | 0 | 0 | 0 | 114.9 | Q2050 Q2053 I2062 | Q2050-N2064 PolarHBondContact O-ND2 3.17Å; Q2053-N2064 PolarHBondContact N-OD1 3.07Å; I2062-N2064 PolarHBondContact O-N 3.22Å |
| 2065 | T | 68 | Low | 74.7 | Confident | 136 Ų | 136 | 62.3 Ų | 62.3 | 83% | 0.834 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -9.4 | 174.7 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | P2063 | P2063-T2065 PolarHBondContact O-N 2.94Š|
| 2066 | S | 68.9 | Low | 74.8 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -83.3 | 149.5 | -178.8 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | P2063 | P2063-S2066 WeakPolarHBondContact CD-OG 3.19Å; P2063-S2066 WeakPolarHBondContact O-CB 3.47Å; P2063-S2066 PolarHBondContact O-N 3.49Å; P2063-S2066 PolarHBondContact O-OG 3.12Å |
| 2067 | F | 66.1 | Low | 75.4 | Confident | 173 Ų | 173 | 65.6 Ų | 65.6 | 76% | 0.759 | 36% | 0.358 | S | S | * | . | trans | -75.4 | 130.4 | 174.7 | -168.6 | -88.1 | 0 | 0 | 0 | 111 | ||||
| 2068 | T | 71.8 | Confident | 75.6 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -125 | 161.5 | 172.3 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | Q2053 I2062 H2073 | Q2053-T2068 PolarHBondContact OE1-OG1 3.47Å; I2062-T2068 HydrophobicContact CD1-CG2 3.6Å; I2062-T2068 HydrophobicContact CG2-CG2 3.8Å; T2068-H2073 VanDerWaalsContact CA-O 3.3Å; T2068-H2073 WeakPolarHBondContact CA-O 3.04Å; T2068-H2073 WeakPolarHBondContact CB-O 3.46Å |
| 2069 | D | 75 | Confident | 75.7 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | trans | -71.4 | -176.9 | 167.9 | 81.4 | -10.6 | 0 | 0 | 0 | 112.4 | L2071 G2072 H2073 T2078 M2085 | D2069-L2071 PolarHBondContact O-N 2.87Å; D2069-L2071 VanDerWaalsContact O-N 3.11Å; D2069-L2071 WeakPolarHBondContact OD1-CA 3.22Å; D2069-L2071 PolarHBondContact OD1-N 3.05Å; D2069-G2072 PolarHBondContact O-N 3.41Å; D2069-G2072 PolarHBondContact OD1-N 2.93Å; D2069-H2073 VanDerWaalsContact CG-ND1 3.33Å; D2069-H2073 PolarHBondContact N-O 2.87Å; D2069-H2073 WeakPolarHBondContact OD1-CB 3.46Å; D2069-H2073 IonicContact OD1-CG 3.61Å; D2069-H2073 PolarHBondContact OD1-N 2.96Å; D2069-H2073 IonicContact OD1-ND1 3.92Å; D2069-H2073 PolarHBondContact OD1-ND1 2.7Å; D2069-H2073 IonicContact OD2-CE1 2.75Å; D2069-H2073 IonicContact OD2-CG 2.81Å; D2069-H2073 IonicContact OD2-ND1 3.37Å; D2069-H2073 PolarHBondContact OD2-ND1 3.24Å; D2069-T2078 HydrophobicContact CB-CG2 4.04Å; D2069-M2085 HydrophobicContact CB-SD 4.38Å; D2069-M2085 WeakPolarHBondContact OD2-CB 3.45Å; D2069-M2085 WeakPolarHBondContact OD2-CG 3.34Å | ||
| 2070 | Q | 70.1 | Confident | 76 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 48% | 0.477 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.9 | -179.4 | -65.1 | -175.7 | -3.5 | 0 | 0 | 114.3 | M2085 C2155 | Q2070-M2085 HydrophobicContact CB-SD 4.49Å; Q2070-C2155 WeakPolarHBondContact O-CB 3.37Å; Q2070-C2155 PolarHBondContact O-SG 2.85Å |
| 2071 | L | 72.3 | Confident | 76.3 | Confident | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -6.6 | 178.1 | -63.7 | 177.7 | 0 | 0 | 0 | 113.6 | D2069 M2085 T2089 L2092 | D2069-L2071 PolarHBondContact O-N 2.87Å; D2069-L2071 VanDerWaalsContact O-N 3.11Å; D2069-L2071 WeakPolarHBondContact OD1-CA 3.22Å; D2069-L2071 PolarHBondContact OD1-N 3.05Å; L2071-M2085 VanDerWaalsContact CD1-O 3.28Å; L2071-M2085 WeakPolarHBondContact CD1-O 3.33Å; L2071-T2089 VanDerWaalsContact CD1-N 3.3Å; L2071-L2092 HydrophobicContact CD2-CD2 4Å |
| 2072 | G | 76.6 | Confident | 76.4 | Confident | 11 Ų | 11 | 66 Ų | 66 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | trans | 96.6 | 9.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P2056 I2062 D2069 C2074 | P2056-G2072 VanDerWaalsContact CD-C 3.47Å; P2056-G2072 WeakPolarHBondContact CD-O 3.14Å; I2062-G2072 WeakPolarHBondContact CD1-O 3.37Å; D2069-G2072 PolarHBondContact O-N 3.41Å; D2069-G2072 PolarHBondContact OD1-N 2.93Å; G2072-C2074 PolarHBondContact O-N 3.18Å | ||
| 2073 | H | 81.2 | Confident | 76.8 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.028 | 41% | 0.409 | C | S | . | . | trans | -63.6 | 135 | 173.8 | -57.7 | 115.9 | 0 | 0 | 0 | 110.3 | S2057 T2068 D2069 T2078 L2084 | S2057-H2073 PolarHBondContact OG-CD2 3.18Å; S2057-H2073 PolarHBondContact OG-NE2 3.36Å; T2068-H2073 VanDerWaalsContact CA-O 3.3Å; T2068-H2073 WeakPolarHBondContact CA-O 3.04Å; T2068-H2073 WeakPolarHBondContact CB-O 3.46Å; D2069-H2073 VanDerWaalsContact CG-ND1 3.33Å; D2069-H2073 PolarHBondContact N-O 2.87Å; D2069-H2073 WeakPolarHBondContact OD1-CB 3.46Å; D2069-H2073 IonicContact OD1-CG 3.61Å; D2069-H2073 PolarHBondContact OD1-N 2.96Å; D2069-H2073 IonicContact OD1-ND1 3.92Å; D2069-H2073 PolarHBondContact OD1-ND1 2.7Å; D2069-H2073 IonicContact OD2-CE1 2.75Å; D2069-H2073 IonicContact OD2-CG 2.81Å; D2069-H2073 IonicContact OD2-ND1 3.37Å; D2069-H2073 PolarHBondContact OD2-ND1 3.24Å; H2073-T2078 HydrophobicContact CB-CG2 3.73Å; H2073-L2084 PolarHBondContact CE1-O 2.76Å | ||
| 2074 | C | 85.7 | Confident | 77.3 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 150.3 | 173.7 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | C2055 I2062 G2072 T2076 C2077 T2078 | C2055-C2074 HydrophobicContact CB-CB 3.99Å; C2055-C2074 PolarHBondContact SG-N 3.01Å; C2055-C2074 PolarHBondContact SG-SG 2.74Å; I2062-C2074 HydrophobicContact CD1-CB 3.61Å; I2062-C2074 HydrophobicContact CG1-CB 3.97Å; G2072-C2074 PolarHBondContact O-N 3.18Å; C2074-T2076 PolarHBondContact O-N 3.26Å; C2074-T2076 VanDerWaalsContact O-N 3.15Å; C2074-T2076 PolarHBondContact SG-OG1 3.37Å; C2074-C2077 WeakPolarHBondContact O-CB 3.39Å; C2074-C2077 PolarHBondContact O-N 3.25Å; C2074-C2077 VanDerWaalsContact SG-SG 3.6Å; C2074-T2078 PolarHBondContact O-N 2.86Å |
| 2075 | R | 82.1 | Confident | 77.6 | Confident | 165 Ų | 165 | 72.2 Ų | 72.2 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -52.9 | -38.8 | -177.6 | -176.4 | 174 | 174.7 | 171.9 | 2 | 114 | C2077 T2078 D2079 | R2075-C2077 PolarHBondContact O-N 2.74Å; R2075-T2078 WeakPolarHBondContact CA-OG1 3.38Å; R2075-T2078 PolarHBondContact O-N 2.77Å; R2075-T2078 PolarHBondContact O-OG1 3.05Å; R2075-D2079 WeakPolarHBondContact CG-OD1 3.33Å; R2075-D2079 VanDerWaalsContact CG-OD2 3.28Å; R2075-D2079 WeakPolarHBondContact CG-OD2 3.18Å; R2075-D2079 IonicContact CZ-OD2 2.67Å; R2075-D2079 IonicContact NE-OD1 2.82Å; R2075-D2079 IonicContact NE-OD2 3.4Å; R2075-D2079 PolarHBondContact NE-OD2 3.48Å; R2075-D2079 IonicContact NH2-OD2 3.5Å; R2075-D2079 PolarHBondContact NH2-OD2 2.92Å; R2075-D2079 VanDerWaalsContact O-CB 3.24Å; R2075-D2079 WeakPolarHBondContact O-CB 3.29Å; R2075-D2079 PolarHBondContact O-N 3.28Å |
| 2076 | T | 83.5 | Confident | 78 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.7 | -28.1 | 177.2 | 43.7 | 0 | 0 | 0 | 0 | 113.7 | C2074 G2080 | C2074-T2076 PolarHBondContact O-N 3.26Å; C2074-T2076 VanDerWaalsContact O-N 3.15Å; C2074-T2076 PolarHBondContact SG-OG1 3.37Å; T2076-G2080 PolarHBondContact O-N 3.15Å |
| 2077 | C | 85.1 | Confident | 78.6 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 14% | 0.142 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -79.1 | -46.2 | 172.4 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | C2055 C2058 C2074 R2075 D2079 G2080 N2081 L2084 | C2055-C2077 VanDerWaalsContact SG-SG 3.65Å; C2058-C2077 PolarHBondContact SG-SG 2.75Å; C2074-C2077 WeakPolarHBondContact O-CB 3.39Å; C2074-C2077 PolarHBondContact O-N 3.25Å; C2074-C2077 VanDerWaalsContact SG-SG 3.6Å; R2075-C2077 PolarHBondContact O-N 2.74Å; C2077-D2079 VanDerWaalsContact C-N 3.31Å; C2077-D2079 PolarHBondContact O-N 2.73Å; C2077-G2080 CarbonylContact O-C 3.58Å; C2077-G2080 PolarHBondContact O-N 3.42Å; C2077-N2081 PolarHBondContact O-N 3Å; C2077-L2084 HydrophobicContact CB-CD1 3.85Å; C2077-L2084 WeakPolarHBondContact O-CD1 3.49Å |
| 2078 | T | 81.8 | Confident | 79.1 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.202 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 180 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | D2069 H2073 C2074 R2075 G2080 N2081 S2082 | D2069-T2078 HydrophobicContact CB-CG2 4.04Å; H2073-T2078 HydrophobicContact CB-CG2 3.73Å; C2074-T2078 PolarHBondContact O-N 2.86Å; R2075-T2078 WeakPolarHBondContact CA-OG1 3.38Å; R2075-T2078 PolarHBondContact O-N 2.77Å; R2075-T2078 PolarHBondContact O-OG1 3.05Å; T2078-G2080 VanDerWaalsContact C-N 3.34Å; T2078-N2081 CarbonylContact O-C 3.23Å; T2078-N2081 VanDerWaalsContact O-C 3.23Å; T2078-S2082 WeakPolarHBondContact O-CA 3.25Å; T2078-S2082 PolarHBondContact O-N 3.25Å |
| 2079 | D | 82.8 | Confident | 79.3 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.6 | -26.9 | 179 | -63.3 | 13 | 0 | 0 | 0 | 110.5 | R2075 C2077 | R2075-D2079 WeakPolarHBondContact CG-OD1 3.33Å; R2075-D2079 VanDerWaalsContact CG-OD2 3.28Å; R2075-D2079 WeakPolarHBondContact CG-OD2 3.18Å; R2075-D2079 IonicContact CZ-OD2 2.67Å; R2075-D2079 IonicContact NE-OD1 2.82Å; R2075-D2079 IonicContact NE-OD2 3.4Å; R2075-D2079 PolarHBondContact NE-OD2 3.48Å; R2075-D2079 IonicContact NH2-OD2 3.5Å; R2075-D2079 PolarHBondContact NH2-OD2 2.92Å; R2075-D2079 VanDerWaalsContact O-CB 3.24Å; R2075-D2079 WeakPolarHBondContact O-CB 3.29Å; R2075-D2079 PolarHBondContact O-N 3.28Å; C2077-D2079 VanDerWaalsContact C-N 3.31Å; C2077-D2079 PolarHBondContact O-N 2.73Å |
| 2080 | G | 81.6 | Confident | 79.7 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -80.6 | -28.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T2076 C2077 T2078 | T2076-G2080 PolarHBondContact O-N 3.15Å; C2077-G2080 CarbonylContact O-C 3.58Å; C2077-G2080 PolarHBondContact O-N 3.42Å; T2078-G2080 VanDerWaalsContact C-N 3.34Å |
| 2081 | N | 82.8 | Confident | 80.2 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | trans | -151.6 | 98.8 | 172 | 178.5 | -2.9 | 0 | 0 | 0 | 110.7 | C2077 T2078 R2083 L2084 | C2077-N2081 PolarHBondContact O-N 3Å; T2078-N2081 CarbonylContact O-C 3.23Å; T2078-N2081 VanDerWaalsContact O-C 3.23Å; N2081-R2083 PolarHBondContact O-N 3.02Å; N2081-R2083 VanDerWaalsContact O-N 3.1Å; N2081-R2083 WeakPolarHBondContact OD1-CB 3.4Å; N2081-R2083 PolarHBondContact OD1-N 3.21Å; N2081-L2084 HydrophobicContact CB-CD1 3.97Å; N2081-L2084 HydrophobicContact CB-CG 3.88Å; N2081-L2084 WeakPolarHBondContact O-CB 3.48Å; N2081-L2084 WeakPolarHBondContact O-CG 3.46Å; N2081-L2084 PolarHBondContact O-N 2.82Å | ||
| 2082 | S | 78.6 | Confident | 80.6 | Confident | 103 Ų | 103 | 71 Ų | 71 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.6 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | T2078 L2084 | T2078-S2082 WeakPolarHBondContact O-CA 3.25Å; T2078-S2082 PolarHBondContact O-N 3.25Å; S2082-L2084 VanDerWaalsContact C-N 3.34Å |
| 2083 | R | 81.8 | Confident | 80.9 | Confident | 185 Ų | 185 | 70.7 Ų | 70.7 | 70% | 0.698 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -9.5 | 174.8 | -61.4 | -176.9 | 176.9 | -178.8 | -0.4 | 113.2 | N2081 M2085 N2086 I2087 | N2081-R2083 PolarHBondContact O-N 3.02Å; N2081-R2083 VanDerWaalsContact O-N 3.1Å; N2081-R2083 WeakPolarHBondContact OD1-CB 3.4Å; N2081-R2083 PolarHBondContact OD1-N 3.21Å; R2083-M2085 VanDerWaalsContact C-N 3.27Å; R2083-M2085 PolarHBondContact O-N 3.45Å; R2083-N2086 PolarHBondContact O-N 2.72Å; R2083-I2087 HydrophobicContact CB-CD1 3.9Å; R2083-I2087 HydrophobicContact CB-CG1 4.39Å; R2083-I2087 WeakPolarHBondContact O-CG1 3.2Å; R2083-I2087 PolarHBondContact O-N 3.4Å |
| 2084 | L | 79.6 | Confident | 81.1 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -35 | -177.5 | -75.8 | 172.4 | 0 | 0 | 0 | 113.7 | H2073 C2077 N2081 S2082 N2086 G2088 | H2073-L2084 PolarHBondContact CE1-O 2.76Å; C2077-L2084 HydrophobicContact CB-CD1 3.85Å; C2077-L2084 WeakPolarHBondContact O-CD1 3.49Å; N2081-L2084 HydrophobicContact CB-CD1 3.97Å; N2081-L2084 HydrophobicContact CB-CG 3.88Å; N2081-L2084 WeakPolarHBondContact O-CB 3.48Å; N2081-L2084 WeakPolarHBondContact O-CG 3.46Å; N2081-L2084 PolarHBondContact O-N 2.82Å; S2082-L2084 VanDerWaalsContact C-N 3.34Å; L2084-N2086 VanDerWaalsContact C-N 3.34Å; L2084-N2086 PolarHBondContact O-N 2.86Å; L2084-G2088 WeakPolarHBondContact O-CA 3.4Å; L2084-G2088 PolarHBondContact O-N 3.39Å |
| 2085 | M | 74.9 | Confident | 81 | Confident | 69 Ų | 69 | 77 Ų | 77 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174.7 | -167.9 | -179.6 | 71.4 | 0 | 0 | 111.4 | D2069 Q2070 L2071 R2083 T2089 | D2069-M2085 HydrophobicContact CB-SD 4.38Å; D2069-M2085 WeakPolarHBondContact OD2-CB 3.45Å; D2069-M2085 WeakPolarHBondContact OD2-CG 3.34Å; Q2070-M2085 HydrophobicContact CB-SD 4.49Å; L2071-M2085 VanDerWaalsContact CD1-O 3.28Å; L2071-M2085 WeakPolarHBondContact CD1-O 3.33Å; R2083-M2085 VanDerWaalsContact C-N 3.27Å; R2083-M2085 PolarHBondContact O-N 3.45Å; M2085-T2089 WeakPolarHBondContact O-CB 3.45Å; M2085-T2089 PolarHBondContact O-N 2.95Å; M2085-T2089 PolarHBondContact O-OG1 2.97Å |
| 2086 | N | 76.9 | Confident | 81.2 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.3 | -45.5 | 179.1 | -64.9 | 4.8 | 0 | 0 | 0 | 111.3 | R2083 L2084 G2088 T2089 I2090 | R2083-N2086 PolarHBondContact O-N 2.72Å; L2084-N2086 VanDerWaalsContact C-N 3.34Å; L2084-N2086 PolarHBondContact O-N 2.86Å; N2086-G2088 VanDerWaalsContact C-N 3.34Å; N2086-G2088 PolarHBondContact O-N 3.35Å; N2086-T2089 PolarHBondContact O-N 2.97Å; N2086-I2090 WeakPolarHBondContact O-CG1 3.21Å; N2086-I2090 PolarHBondContact O-N 3.29Å |
| 2087 | I | 80.4 | Confident | 81.4 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 45% | 0.446 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.5 | -65.5 | 164 | 0 | 0 | 0 | 110.4 | R2083 I2090 K2091 | R2083-I2087 HydrophobicContact CB-CD1 3.9Å; R2083-I2087 HydrophobicContact CB-CG1 4.39Å; R2083-I2087 WeakPolarHBondContact O-CG1 3.2Å; R2083-I2087 PolarHBondContact O-N 3.4Å; I2087-I2090 PolarHBondContact O-N 3.02Å; I2087-K2091 VanDerWaalsContact O-CB 3.27Å; I2087-K2091 WeakPolarHBondContact O-CB 3.15Å; I2087-K2091 PolarHBondContact O-N 3.49Å |
| 2088 | G | 75.9 | Confident | 81.6 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 19% | 0.186 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2084 N2086 L2092 | L2084-G2088 WeakPolarHBondContact O-CA 3.4Å; L2084-G2088 PolarHBondContact O-N 3.39Å; N2086-G2088 VanDerWaalsContact C-N 3.34Å; N2086-G2088 PolarHBondContact O-N 3.35Å; G2088-L2092 WeakPolarHBondContact O-CB 2.83Å; G2088-L2092 PolarHBondContact O-N 2.91Å |
| 2089 | T | 77.8 | Confident | 81.9 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | L2071 M2085 N2086 L2092 G2093 M2159 | L2071-T2089 VanDerWaalsContact CD1-N 3.3Å; M2085-T2089 WeakPolarHBondContact O-CB 3.45Å; M2085-T2089 PolarHBondContact O-N 2.95Å; M2085-T2089 PolarHBondContact O-OG1 2.97Å; N2086-T2089 PolarHBondContact O-N 2.97Å; T2089-L2092 PolarHBondContact O-N 3.32Å; T2089-G2093 PolarHBondContact O-N 3.39Å; T2089-M2159 HydrophobicContact CG2-CE 3.84Å |
| 2090 | I | 82.5 | Confident | 82.1 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 177.4 | -65.7 | 164.2 | 0 | 0 | 0 | 110.3 | N2086 I2087 L2092 G2093 C2094 | N2086-I2090 WeakPolarHBondContact O-CG1 3.21Å; N2086-I2090 PolarHBondContact O-N 3.29Å; I2087-I2090 PolarHBondContact O-N 3.02Å; I2090-L2092 PolarHBondContact O-N 3.02Å; I2090-G2093 PolarHBondContact O-N 2.86Å; I2090-C2094 WeakPolarHBondContact O-CB 3.23Å; I2090-C2094 PolarHBondContact O-N 3.14Å; I2090-C2094 PolarHBondContact O-SG 2.98Å |
| 2091 | K | 80 | Confident | 82.5 | Confident | 141 Ų | 141 | 71.7 Ų | 71.7 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 179.5 | -169.1 | 171 | -175.6 | 174.6 | 0 | 112.2 | I2087 N2095 | I2087-K2091 VanDerWaalsContact O-CB 3.27Å; I2087-K2091 WeakPolarHBondContact O-CB 3.15Å; I2087-K2091 PolarHBondContact O-N 3.49Å; K2091-N2095 WeakPolarHBondContact O-CB 3.28Å; K2091-N2095 PolarHBondContact O-N 3.03Å; K2091-N2095 VanDerWaalsContact O-N 3.1Å; K2091-N2095 PolarHBondContact O-ND2 2.89Å; K2091-N2095 VanDerWaalsContact O-ND2 3.1Å |
| 2092 | L | 81.1 | Confident | 82.8 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.9 | 179.6 | 60.2 | 0 | 0 | 0 | 111.4 | L2071 G2088 T2089 I2090 N2095 I2096 F2148 Y2152 | L2071-L2092 HydrophobicContact CD2-CD2 4Å; G2088-L2092 WeakPolarHBondContact O-CB 2.83Å; G2088-L2092 PolarHBondContact O-N 2.91Å; T2089-L2092 PolarHBondContact O-N 3.32Å; I2090-L2092 PolarHBondContact O-N 3.02Å; L2092-N2095 PolarHBondContact O-N 3.02Å; L2092-I2096 HydrophobicContact CD1-CD1 3.92Å; L2092-I2096 HydrophobicContact CD1-CG1 4.29Å; L2092-I2096 HydrophobicContact CG-CD1 3.92Å; L2092-I2096 WeakPolarHBondContact O-CG1 3.28Å; L2092-I2096 PolarHBondContact O-N 3.04Å; L2092-F2148 HydrophobicContact CD1-CD1 3.64Å; L2092-F2148 HydrophobicContact CD1-CE1 3.92Å; L2092-F2148 HydrophobicContact CD1-CG 4.48Å; L2092-Y2152 HydrophobicContact CD1-CD2 3.88Å; L2092-Y2152 HydrophobicContact CD1-CE2 3.68Å; L2092-Y2152 HydrophobicContact CD2-CD1 3.92Å; L2092-Y2152 HydrophobicContact CD2-CD2 4.07Å; L2092-Y2152 HydrophobicContact CD2-CE1 4.12Å; L2092-Y2152 HydrophobicContact CD2-CE2 4.27Å; L2092-Y2152 HydrophobicContact CD2-CG 3.9Å |
| 2093 | G | 82.1 | Confident | 83.2 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2089 I2090 N2095 I2096 N2097 | T2089-G2093 PolarHBondContact O-N 3.39Å; I2090-G2093 PolarHBondContact O-N 2.86Å; G2093-N2095 VanDerWaalsContact C-N 3.33Å; G2093-N2095 PolarHBondContact O-N 3.13Å; G2093-I2096 PolarHBondContact O-N 3.2Å; G2093-N2097 WeakPolarHBondContact O-CB 3.35Å; G2093-N2097 PolarHBondContact O-N 3.48Å |
| 2094 | C | 86.7 | Confident | 83.5 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 53% | 0.527 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58 | -44 | 172.2 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | I2090 N2097 H2098 | I2090-C2094 WeakPolarHBondContact O-CB 3.23Å; I2090-C2094 PolarHBondContact O-N 3.14Å; I2090-C2094 PolarHBondContact O-SG 2.98Å; C2094-N2097 PolarHBondContact O-N 3.49Å; C2094-H2098 VanDerWaalsContact O-CB 3.28Å; C2094-H2098 WeakPolarHBondContact O-CB 3.44Å; C2094-H2098 PolarHBondContact O-N 2.5Å |
| 2095 | N | 83.8 | Confident | 84 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.2 | -76.1 | -25.1 | 0 | 0 | 0 | 112.7 | K2091 L2092 G2093 H2098 V2099 F2148 | K2091-N2095 WeakPolarHBondContact O-CB 3.28Å; K2091-N2095 PolarHBondContact O-N 3.03Å; K2091-N2095 VanDerWaalsContact O-N 3.1Å; K2091-N2095 PolarHBondContact O-ND2 2.89Å; K2091-N2095 VanDerWaalsContact O-ND2 3.1Å; L2092-N2095 PolarHBondContact O-N 3.02Å; G2093-N2095 VanDerWaalsContact C-N 3.33Å; G2093-N2095 PolarHBondContact O-N 3.13Å; N2095-H2098 PolarHBondContact O-N 3.1Å; N2095-V2099 WeakPolarHBondContact O-CG2 3.3Å; N2095-V2099 PolarHBondContact O-N 2.83Å; N2095-F2148 HydrophobicContact CB-CZ 3.97Å |
| 2096 | I | 86 | Confident | 84.6 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 176.6 | -71.2 | 169 | 0 | 0 | 0 | 110.4 | L2092 G2093 H2098 V2099 Q2100 L2145 F2148 | L2092-I2096 HydrophobicContact CD1-CD1 3.92Å; L2092-I2096 HydrophobicContact CD1-CG1 4.29Å; L2092-I2096 HydrophobicContact CG-CD1 3.92Å; L2092-I2096 WeakPolarHBondContact O-CG1 3.28Å; L2092-I2096 PolarHBondContact O-N 3.04Å; G2093-I2096 PolarHBondContact O-N 3.2Å; I2096-H2098 PolarHBondContact O-N 3.08Å; I2096-V2099 PolarHBondContact O-N 3.37Å; I2096-Q2100 VanDerWaalsContact O-CB 3.28Å; I2096-Q2100 WeakPolarHBondContact O-CB 3.47Å; I2096-Q2100 PolarHBondContact O-N 3.11Å; I2096-L2145 HydrophobicContact CG2-CD1 4.49Å; I2096-F2148 HydrophobicContact CD1-CB 4.3Å; I2096-F2148 HydrophobicContact CD1-CG 4.47Å; I2096-F2148 HydrophobicContact CG1-CB 4.16Å; I2096-F2148 HydrophobicContact CG1-CD1 4.43Å; I2096-F2148 HydrophobicContact CG1-CD2 3.88Å; I2096-F2148 HydrophobicContact CG1-CE2 4.39Å; I2096-F2148 HydrophobicContact CG1-CG 3.92Å |
| 2097 | N | 87.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 178.9 | -76 | -13.3 | 0 | 0 | 0 | 112.2 | G2093 C2094 S2101 | G2093-N2097 WeakPolarHBondContact O-CB 3.35Å; G2093-N2097 PolarHBondContact O-N 3.48Å; C2094-N2097 PolarHBondContact O-N 3.49Å; N2097-S2101 VanDerWaalsContact O-CB 3.23Å; N2097-S2101 WeakPolarHBondContact O-CB 3.37Å; N2097-S2101 PolarHBondContact O-N 2.91Å; N2097-S2101 PolarHBondContact O-OG 2.9Å |
| 2098 | H | 89.8 | Confident | 85.1 | Confident | 132 Ų | 132 | 62.8 Ų | 62.8 | 61% | 0.611 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.3 | -50.2 | 175.1 | 177.4 | -106.4 | 0 | 0 | 0 | 111.9 | C2094 N2095 I2096 Q2100 S2101 S2102 | C2094-H2098 VanDerWaalsContact O-CB 3.28Å; C2094-H2098 WeakPolarHBondContact O-CB 3.44Å; C2094-H2098 PolarHBondContact O-N 2.5Å; N2095-H2098 PolarHBondContact O-N 3.1Å; I2096-H2098 PolarHBondContact O-N 3.08Å; H2098-Q2100 PolarHBondContact O-N 2.74Å; H2098-S2101 PolarHBondContact O-N 2.71Å; H2098-S2102 WeakPolarHBondContact O-CB 3.37Å; H2098-S2102 PolarHBondContact O-N 3.31Å |
| 2099 | V | 87.2 | Confident | 85.5 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | N2095 I2096 L2103 A2141 D2144 L2145 F2148 | N2095-V2099 WeakPolarHBondContact O-CG2 3.3Å; N2095-V2099 PolarHBondContact O-N 2.83Å; I2096-V2099 PolarHBondContact O-N 3.37Å; V2099-L2103 WeakPolarHBondContact O-CB 3.44Å; V2099-L2103 PolarHBondContact O-N 3.46Å; V2099-A2141 HydrophobicContact CG1-CB 4.23Å; V2099-A2141 WeakPolarHBondContact CG1-O 3.35Å; V2099-D2144 HydrophobicContact CG1-CB 4.06Å; V2099-D2144 HydrophobicContact CG2-CB 4.33Å; V2099-L2145 HydrophobicContact CG1-CB 4.05Å; V2099-F2148 HydrophobicContact CG2-CE2 4.22Å |
| 2100 | Q | 87.3 | Confident | 85.7 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 176.5 | -174.3 | 62.1 | 70.5 | 0 | 0 | 112.1 | I2096 H2098 L2103 N2104 | I2096-Q2100 VanDerWaalsContact O-CB 3.28Å; I2096-Q2100 WeakPolarHBondContact O-CB 3.47Å; I2096-Q2100 PolarHBondContact O-N 3.11Å; H2098-Q2100 PolarHBondContact O-N 2.74Å; Q2100-L2103 PolarHBondContact O-N 3.19Å; Q2100-N2104 PolarHBondContact NE2-OD1 3.5Å; Q2100-N2104 PolarHBondContact O-N 2.89Å; Q2100-N2104 PolarHBondContact O-OD1 3.02Å; Q2100-N2104 VanDerWaalsContact O-OD1 3.11Å |
| 2101 | S | 89.9 | Confident | 85.5 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | N2097 H2098 N2104 R2105 | N2097-S2101 VanDerWaalsContact O-CB 3.23Å; N2097-S2101 WeakPolarHBondContact O-CB 3.37Å; N2097-S2101 PolarHBondContact O-N 2.91Å; N2097-S2101 PolarHBondContact O-OG 2.9Å; H2098-S2101 PolarHBondContact O-N 2.71Å; S2101-N2104 PolarHBondContact O-N 3.41Å; S2101-R2105 PolarHBondContact O-N 2.87Å |
| 2102 | S | 89.4 | Confident | 85.4 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | H2098 N2104 R2105 L2106 | H2098-S2102 WeakPolarHBondContact O-CB 3.37Å; H2098-S2102 PolarHBondContact O-N 3.31Å; S2102-N2104 PolarHBondContact O-N 3.48Å; S2102-R2105 PolarHBondContact O-N 3.05Å; S2102-L2106 VanDerWaalsContact O-CG 3.27Å; S2102-L2106 WeakPolarHBondContact O-CG 3.32Å; S2102-L2106 PolarHBondContact O-N 3.39Å |
| 2103 | L | 87 | Confident | 85.2 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.8 | -176.6 | 59.3 | 0 | 0 | 0 | 112.2 | V2099 Q2100 R2105 L2106 E2107 W2125 R2138 A2141 L2145 | V2099-L2103 WeakPolarHBondContact O-CB 3.44Å; V2099-L2103 PolarHBondContact O-N 3.46Å; Q2100-L2103 PolarHBondContact O-N 3.19Å; L2103-R2105 PolarHBondContact O-N 3.03Å; L2103-L2106 PolarHBondContact O-N 3.27Å; L2103-E2107 PolarHBondContact O-N 2.77Å; L2103-W2125 HydrophobicContact CD1-CH2 4.11Å; L2103-W2125 HydrophobicContact CD1-CZ2 4.02Å; L2103-R2138 HydrophobicContact CD1-CG 3.78Å; L2103-A2141 HydrophobicContact CB-CB 4.26Å; L2103-A2141 HydrophobicContact CD1-CB 4.29Å; L2103-L2145 HydrophobicContact CD2-CD2 3.79Å |
| 2104 | N | 87.1 | Confident | 84.6 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.5 | -65.7 | -3.7 | 0 | 0 | 0 | 112.2 | Q2100 S2101 S2102 T2108 | Q2100-N2104 PolarHBondContact NE2-OD1 3.5Å; Q2100-N2104 PolarHBondContact O-N 2.89Å; Q2100-N2104 PolarHBondContact O-OD1 3.02Å; Q2100-N2104 VanDerWaalsContact O-OD1 3.11Å; S2101-N2104 PolarHBondContact O-N 3.41Å; S2102-N2104 PolarHBondContact O-N 3.48Å; N2104-T2108 WeakPolarHBondContact O-CB 3.45Å; N2104-T2108 PolarHBondContact O-N 3.16Å; N2104-T2108 PolarHBondContact O-OG1 3.06Å |
| 2105 | R | 89.4 | Confident | 83.4 | Confident | 190 Ų | 190 | 63.9 Ų | 63.9 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 174.8 | -178.9 | 175.7 | 175 | 170.5 | -2.1 | 111.2 | S2101 S2102 L2103 T2108 I2109 | S2101-R2105 PolarHBondContact O-N 2.87Å; S2102-R2105 PolarHBondContact O-N 3.05Å; L2103-R2105 PolarHBondContact O-N 3.03Å; R2105-T2108 WeakPolarHBondContact O-CB 3.49Å; R2105-T2108 PolarHBondContact O-N 3.2Å; R2105-I2109 HydrophobicContact CG-CD1 4.27Å; R2105-I2109 WeakPolarHBondContact O-CG1 3.45Å; R2105-I2109 PolarHBondContact O-N 3.12Å; R2105-I2109 VanDerWaalsContact O-N 3.08Å |
| 2106 | L | 88.5 | Confident | 81.9 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 179.5 | -64.2 | 165.5 | 0 | 0 | 0 | 112.5 | S2102 L2103 T2108 I2109 C2110 I2134 Q2137 R2138 | S2102-L2106 VanDerWaalsContact O-CG 3.27Å; S2102-L2106 WeakPolarHBondContact O-CG 3.32Å; S2102-L2106 PolarHBondContact O-N 3.39Å; L2103-L2106 PolarHBondContact O-N 3.27Å; L2106-T2108 VanDerWaalsContact C-N 3.31Å; L2106-T2108 PolarHBondContact O-N 3.1Å; L2106-I2109 PolarHBondContact O-N 2.8Å; L2106-C2110 PolarHBondContact O-N 3.45Å; L2106-C2110 VanDerWaalsContact O-N 3.07Å; L2106-C2110 PolarHBondContact O-SG 3.46Å; L2106-I2134 HydrophobicContact CB-CG2 4.25Å; L2106-I2134 HydrophobicContact CD2-CD1 4.26Å; L2106-I2134 HydrophobicContact CD2-CG2 3.84Å; L2106-Q2137 HydrophobicContact CD1-CB 3.82Å; L2106-Q2137 HydrophobicContact CD2-CB 4.05Å; L2106-R2138 HydrophobicContact CD1-CB 4.49Å |
| 2107 | E | 83.9 | Confident | 79.8 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | 172.1 | -74.6 | -170.3 | 175.8 | 0 | 0 | 112.3 | L2103 C2110 S2111 V2124 W2125 | L2103-E2107 PolarHBondContact O-N 2.77Å; E2107-C2110 PolarHBondContact O-N 2.97Å; E2107-S2111 WeakPolarHBondContact O-CB 3.23Å; E2107-S2111 PolarHBondContact O-N 2.89Å; E2107-S2111 PolarHBondContact O-OG 3.47Å; E2107-V2124 HydrophobicContact CG-CG1 4.46Å; E2107-W2125 HydrophobicContact CG-CZ2 4.48Å; E2107-W2125 VanDerWaalsContact OE1-CE2 3.24Å; E2107-W2125 VanDerWaalsContact OE1-CZ2 3.22Å; E2107-W2125 WeakPolarHBondContact OE1-CZ2 3.19Å; E2107-W2125 PolarHBondContact OE1-NE1 3.2Å |
| 2108 | T | 83.2 | Confident | 77.6 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | N2104 R2105 L2106 S2111 Y2112 | N2104-T2108 WeakPolarHBondContact O-CB 3.45Å; N2104-T2108 PolarHBondContact O-N 3.16Å; N2104-T2108 PolarHBondContact O-OG1 3.06Å; R2105-T2108 WeakPolarHBondContact O-CB 3.49Å; R2105-T2108 PolarHBondContact O-N 3.2Å; L2106-T2108 VanDerWaalsContact C-N 3.31Å; L2106-T2108 PolarHBondContact O-N 3.1Å; T2108-S2111 WeakPolarHBondContact O-CB 3.3Å; T2108-S2111 PolarHBondContact O-N 3.09Å; T2108-S2111 VanDerWaalsContact O-N 3.14Å; T2108-Y2112 HydrophobicContact CG2-CD2 4.23Å; T2108-Y2112 HydrophobicContact CG2-CE2 3.87Å; T2108-Y2112 VanDerWaalsContact O-CD2 3.3Å; T2108-Y2112 WeakPolarHBondContact O-CD2 3.45Å; T2108-Y2112 PolarHBondContact O-N 2.91Å; T2108-Y2112 VanDerWaalsContact O-N 3.16Å |
| 2109 | I | 85.6 | Confident | 75.1 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.4 | -66.4 | 163.5 | 0 | 0 | 0 | 110.8 | R2105 L2106 S2111 Y2112 C2113 I2134 | R2105-I2109 HydrophobicContact CG-CD1 4.27Å; R2105-I2109 WeakPolarHBondContact O-CG1 3.45Å; R2105-I2109 PolarHBondContact O-N 3.12Å; R2105-I2109 VanDerWaalsContact O-N 3.08Å; L2106-I2109 PolarHBondContact O-N 2.8Å; I2109-S2111 PolarHBondContact O-N 2.83Å; I2109-Y2112 PolarHBondContact O-N 3.46Å; I2109-C2113 PolarHBondContact O-N 3.49Å; I2109-I2134 HydrophobicContact CB-CG2 4.43Å; I2109-I2134 HydrophobicContact CD1-CD1 4.47Å; I2109-I2134 HydrophobicContact CG2-CD1 4.34Å; I2109-I2134 HydrophobicContact CG2-CG1 4.12Å; I2109-I2134 HydrophobicContact CG2-CG2 4.23Å |
| 2110 | C | 82.1 | Confident | 73.4 | Confident | 17 Ų | 17 | 76.3 Ų | 76.3 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -33.9 | 174.7 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | L2106 E2107 C2113 I2114 V2124 | L2106-C2110 PolarHBondContact O-N 3.45Å; L2106-C2110 VanDerWaalsContact O-N 3.07Å; L2106-C2110 PolarHBondContact O-SG 3.46Å; E2107-C2110 PolarHBondContact O-N 2.97Å; C2110-C2113 PolarHBondContact O-N 3.38Å; C2110-I2114 WeakPolarHBondContact O-CG1 3.21Å; C2110-I2114 PolarHBondContact O-N 2.77Å; C2110-V2124 HydrophobicContact CB-CB 4.32Å; C2110-V2124 HydrophobicContact CB-CG1 3.55Å; C2110-V2124 HydrophobicContact CB-CG2 4.02Å |
| 2111 | S | 77.9 | Confident | 71.8 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | E2107 T2108 I2109 | E2107-S2111 WeakPolarHBondContact O-CB 3.23Å; E2107-S2111 PolarHBondContact O-N 2.89Å; E2107-S2111 PolarHBondContact O-OG 3.47Å; T2108-S2111 WeakPolarHBondContact O-CB 3.3Å; T2108-S2111 PolarHBondContact O-N 3.09Å; T2108-S2111 VanDerWaalsContact O-N 3.14Å; I2109-S2111 PolarHBondContact O-N 2.83Å |
| 2112 | Y | 76.7 | Confident | 70.4 | Confident | 148 Ų | 148 | 75.1 Ų | 75.1 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 172 | -78.9 | -69.2 | 0 | 0 | 0 | 112.3 | T2108 I2109 I2114 I2115 R2117 | T2108-Y2112 HydrophobicContact CG2-CD2 4.23Å; T2108-Y2112 HydrophobicContact CG2-CE2 3.87Å; T2108-Y2112 VanDerWaalsContact O-CD2 3.3Å; T2108-Y2112 WeakPolarHBondContact O-CD2 3.45Å; T2108-Y2112 PolarHBondContact O-N 2.91Å; T2108-Y2112 VanDerWaalsContact O-N 3.16Å; I2109-Y2112 PolarHBondContact O-N 3.46Å; Y2112-I2114 PolarHBondContact O-N 2.85Å; Y2112-I2115 PolarHBondContact O-N 3.22Å; Y2112-R2117 PolarHBondContact OH-NH2 2.9Å |
| 2113 | C | 77.2 | Confident | 69.1 | Low | 39 Ų | 39 | 73.2 Ų | 73.2 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -31.9 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 113.4 | I2109 C2110 I2115 | I2109-C2113 PolarHBondContact O-N 3.49Å; C2110-C2113 PolarHBondContact O-N 3.38Å; C2113-I2115 VanDerWaalsContact C-N 3.34Å |
| 2114 | I | 70.8 | Confident | 68.2 | Low | 22 Ų | 22 | 73.3 Ų | 73.3 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7 | 179.5 | -66.7 | 175.5 | 0 | 0 | 0 | 112.7 | C2110 Y2112 H2116 P2123 V2124 | C2110-I2114 WeakPolarHBondContact O-CG1 3.21Å; C2110-I2114 PolarHBondContact O-N 2.77Å; Y2112-I2114 PolarHBondContact O-N 2.85Å; I2114-H2116 PolarHBondContact O-N 3.46Å; I2114-P2123 HydrophobicContact CD1-CB 4.48Å; I2114-P2123 WeakPolarHBondContact CD1-O 3.39Å; I2114-V2124 HydrophobicContact CD1-CB 4.46Å; I2114-V2124 HydrophobicContact CD1-CG2 3.91Å |
| 2115 | I | 60.5 | Low | 67.4 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | trans | 63.3 | -37.9 | 174.4 | -60.3 | 177.3 | 0 | 0 | 0 | 115.4 | Y2112 C2113 R2117 | Y2112-I2115 PolarHBondContact O-N 3.22Å; C2113-I2115 VanDerWaalsContact C-N 3.34Å; I2115-R2117 PolarHBondContact O-N 3.27Å | ||
| 2116 | H | 52.5 | Low | 66.7 | Low | 78 Ų | 78 | 63.8 Ų | 63.8 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | trans | -88.5 | 104.5 | -179.5 | -81.6 | -73.8 | 0 | 0 | 0 | 113.4 | W1424 I2114 G2118 | W1424-H2116 AromaticContact CD1-NE2 3.65Å; W1424-H2116 AromaticContact NE1-NE2 3.74Å; I2114-H2116 PolarHBondContact O-N 3.46Å; H2116-G2118 PolarHBondContact O-N 3.4Å | ||
| 2117 | R | 41.4 | Very low | 66.3 | Low | 208 Ų | 208 | 64.4 Ų | 64.4 | 79% | 0.785 | 34% | 0.337 | S | S | * | . | trans | -65 | 36.1 | 169 | -67 | -177.5 | 168.9 | -175.3 | -4.6 | 114.8 | Y2112 I2115 M2119 | Y2112-R2117 PolarHBondContact OH-NH2 2.9Å; I2115-R2117 PolarHBondContact O-N 3.27Å; R2117-M2119 PolarHBondContact O-N 3.42Å | ||
| 2118 | G | 41.2 | Very low | 66.1 | Low | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | trans | -76.4 | 62.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H2116 S2120 | H2116-G2118 PolarHBondContact O-N 3.4Å; G2118-S2120 PolarHBondContact O-N 3.3Å | ||
| 2119 | M | 39.1 | Very low | 66.2 | Low | 200 Ų | 200 | 60.4 Ų | 60.4 | 99% | 0.985 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 42.7 | -5.3 | 163.8 | -65.7 | -169.7 | 74.6 | 0 | 0 | 122 | R2117 | R2117-M2119 PolarHBondContact O-N 3.42Š|
| 2120 | S | 51.1 | Low | 66.1 | Low | 61 Ų | 61 | 58 Ų | 58 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | trans | -120.4 | 142 | 171 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | G2118 D2122 P2123 | G2118-S2120 PolarHBondContact O-N 3.3Å; S2120-D2122 VanDerWaalsContact C-N 3.34Å; S2120-P2123 WeakPolarHBondContact O-CD 3.46Å | ||
| 2121 | C | 52.4 | Low | 66.3 | Low | 52 Ų | 52 | 59.1 Ų | 59.1 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -85.1 | -0.6 | 179.9 | 52.4 | 0 | 0 | 0 | 0 | 114 | V2124 | C2121-V2124 WeakPolarHBondContact O-CB 3.34Å; C2121-V2124 PolarHBondContact O-N 2.86Å |
| 2122 | D | 61.8 | Low | 66.7 | Low | 61 Ų | 61 | 57.5 Ų | 57.5 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.8 | -63.9 | -67.8 | 0 | 0 | 0 | 115.7 | R1939 S2120 V2124 W2125 L2126 | R1939-D2122 IonicContact CZ-OD1 3.65Å; R1939-D2122 IonicContact CZ-OD2 3.14Å; R1939-D2122 IonicContact NE-OD1 2.74Å; R1939-D2122 PolarHBondContact NE-OD1 2.93Å; R1939-D2122 IonicContact NH2-OD1 3.78Å; R1939-D2122 PolarHBondContact NH2-OD1 3.43Å; R1939-D2122 IonicContact NH2-OD2 3.27Å; R1939-D2122 PolarHBondContact NH2-OD2 3.35Å; S2120-D2122 VanDerWaalsContact C-N 3.34Å; D2122-V2124 PolarHBondContact O-N 3.27Å; D2122-V2124 VanDerWaalsContact O-N 3.17Å; D2122-W2125 PolarHBondContact O-N 2.86Å; D2122-L2126 WeakPolarHBondContact O-CG 3.27Å; D2122-L2126 PolarHBondContact O-N 3.37Å |
| 2123 | P | 61.6 | Low | 67.2 | Low | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -23 | -176 | 27.4 | -35.3 | 0 | 0 | 0 | 113.2 | W1414 I2114 S2120 L2126 | W1414-P2123 HydrophobicContact CH2-CB 3.9Å; W1414-P2123 HydrophobicContact CZ2-CB 4.09Å; I2114-P2123 HydrophobicContact CD1-CB 4.48Å; I2114-P2123 WeakPolarHBondContact CD1-O 3.39Å; S2120-P2123 WeakPolarHBondContact O-CD 3.46Å; P2123-L2126 PolarHBondContact O-N 3.1Å |
| 2124 | V | 67.7 | Low | 67.8 | Low | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 170.4 | 161 | 0 | 0 | 0 | 0 | 110.2 | E2107 C2110 I2114 C2121 D2122 L2126 C2127 R2138 | E2107-V2124 HydrophobicContact CG-CG1 4.46Å; C2110-V2124 HydrophobicContact CB-CB 4.32Å; C2110-V2124 HydrophobicContact CB-CG1 3.55Å; C2110-V2124 HydrophobicContact CB-CG2 4.02Å; I2114-V2124 HydrophobicContact CD1-CB 4.46Å; I2114-V2124 HydrophobicContact CD1-CG2 3.91Å; C2121-V2124 WeakPolarHBondContact O-CB 3.34Å; C2121-V2124 PolarHBondContact O-N 2.86Å; D2122-V2124 PolarHBondContact O-N 3.27Å; D2122-V2124 VanDerWaalsContact O-N 3.17Å; V2124-L2126 PolarHBondContact O-N 2.87Å; V2124-C2127 PolarHBondContact O-N 3.43Å; V2124-R2138 PolarHBondContact O-NH1 3.19Å; V2124-R2138 PolarHBondContact O-NH2 3.27Å |
| 2125 | W | 70.5 | Confident | 68.5 | Low | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -12.6 | -179.3 | -78.3 | 97.9 | 0 | 0 | 0 | 114.5 | L2103 E2107 D2122 R2138 | L2103-W2125 HydrophobicContact CD1-CH2 4.11Å; L2103-W2125 HydrophobicContact CD1-CZ2 4.02Å; E2107-W2125 HydrophobicContact CG-CZ2 4.48Å; E2107-W2125 VanDerWaalsContact OE1-CE2 3.24Å; E2107-W2125 VanDerWaalsContact OE1-CZ2 3.22Å; E2107-W2125 WeakPolarHBondContact OE1-CZ2 3.19Å; E2107-W2125 PolarHBondContact OE1-NE1 3.2Å; D2122-W2125 PolarHBondContact O-N 2.86Å; W2125-R2138 HydrophobicContact CH2-CG 3.56Å; W2125-R2138 HydrophobicContact CZ2-CG 4.09Å; W2125-R2138 HydrophobicContact CZ3-CG 3.93Å |
| 2126 | L | 74.9 | Confident | 69.6 | Low | 31 Ų | 31 | 47.4 Ų | 47.4 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 8.2 | 178.8 | -58.8 | 170.5 | 0 | 0 | 0 | 113.8 | Y1406 Q1410 W1414 W1930 D2122 P2123 V2124 N2128 | Y1406-L2126 WeakPolarHBondContact CD1-O 3.23Å; Q1410-L2126 VanDerWaalsContact NE2-CB 3.33Å; Q1410-L2126 PolarHBondContact NE2-O 3.28Å; Q1410-L2126 PolarHBondContact OE1-O 2.89Å; W1414-L2126 HydrophobicContact CZ2-CD1 4.03Å; W1930-L2126 HydrophobicContact CH2-CD1 4.4Å; W1930-L2126 HydrophobicContact CZ2-CD1 3.92Å; W1930-L2126 HydrophobicContact CZ2-CD2 3.74Å; D2122-L2126 WeakPolarHBondContact O-CG 3.27Å; D2122-L2126 PolarHBondContact O-N 3.37Å; P2123-L2126 PolarHBondContact O-N 3.1Å; V2124-L2126 PolarHBondContact O-N 2.87Å; L2126-N2128 PolarHBondContact O-N 3.39Å; L2126-N2128 PolarHBondContact O-ND2 2.89Å; L2126-N2128 VanDerWaalsContact O-ND2 3.12Å |
| 2127 | C | 80.6 | Confident | 71.2 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -76.2 | 118.5 | 169.7 | -176 | 0 | 0 | 0 | 0 | 110.9 | Y1406 V2124 | Y1406-C2127 HydrophobicContact CE1-CB 4.34Å; V2124-C2127 PolarHBondContact O-N 3.43Å | ||
| 2128 | N | 78.6 | Confident | 73.3 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | trans | -97.5 | 18.6 | -179 | -63 | -77.7 | 0 | 0 | 0 | 112.8 | R1405 L2126 F2130 | R1405-N2128 PolarHBondContact O-N 2.9Å; L2126-N2128 PolarHBondContact O-N 3.39Å; L2126-N2128 PolarHBondContact O-ND2 2.89Å; L2126-N2128 VanDerWaalsContact O-ND2 3.12Å; N2128-F2130 HydrophobicContact CB-CE2 4.39Å; N2128-F2130 WeakPolarHBondContact O-CD2 3.3Å; N2128-F2130 PolarHBondContact O-N 3Å | ||
| 2129 | N | 85.7 | Confident | 75.1 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | trans | -75.2 | 90.9 | 172.6 | -173.8 | -20.3 | 0 | 0 | 0 | 109.3 | M1403 R1405 F2131 C2132 N2135 | M1403-N2129 PolarHBondContact O-ND2 3.06Å; M1403-N2129 VanDerWaalsContact O-ND2 3.09Å; R1405-N2129 HydrophobicContact CB-CB 3.85Å; N2129-F2131 VanDerWaalsContact C-N 3.31Å; N2129-F2131 PolarHBondContact OD1-N 3.32Å; N2129-C2132 HydrophobicContact CB-CB 4.21Å; N2129-C2132 WeakPolarHBondContact O-CB 3.4Å; N2129-C2132 PolarHBondContact O-N 3.42Å; N2129-C2132 PolarHBondContact OD1-N 3.05Å; N2129-N2135 WeakPolarHBondContact O-CB 3.39Å; N2129-N2135 PolarHBondContact O-ND2 2.99Å | ||
| 2130 | F | 84.8 | Confident | 77.1 | Confident | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -74.7 | -17.4 | -179.7 | -72.9 | -77.1 | 0 | 0 | 0 | 114.2 | F1857 H1858 I1922 I1925 N2128 L2139 | F1857-F2130 HydrophobicContact CD1-CD1 4.25Å; F1857-F2130 HydrophobicContact CE1-CB 4.2Å; F1857-F2130 HydrophobicContact CE1-CD1 4.06Å; F1857-F2130 HydrophobicContact CE1-CG 4.39Å; H1858-F2130 WeakPolarHBondContact CB-O 3.33Å; I1922-F2130 HydrophobicContact CG2-CB 4.02Å; I1922-F2130 HydrophobicContact CG2-CD2 3.36Å; I1922-F2130 HydrophobicContact CG2-CE2 4Å; I1922-F2130 HydrophobicContact CG2-CG 3.83Å; I1925-F2130 HydrophobicContact CB-CE1 4.44Å; I1925-F2130 HydrophobicContact CB-CZ 4.06Å; I1925-F2130 HydrophobicContact CG2-CE1 3.93Å; I1925-F2130 HydrophobicContact CG2-CZ 3.88Å; I1925-F2130 WeakPolarHBondContact O-CZ 3.29Å; N2128-F2130 HydrophobicContact CB-CE2 4.39Å; N2128-F2130 WeakPolarHBondContact O-CD2 3.3Å; N2128-F2130 PolarHBondContact O-N 3Å; F2130-L2139 HydrophobicContact CD1-CD1 4.28Å; F2130-L2139 HydrophobicContact CE1-CD1 4.18Å |
| 2131 | F | 86 | Confident | 78.7 | Confident | 41 Ų | 41 | 26.4 Ų | 26.4 | 18% | 0.18 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -77.1 | -24.4 | 173.9 | -69.7 | -86.9 | 0 | 0 | 0 | 112.6 | E1388 H1858 I1861 V1903 I1922 N2129 P2133 | E1388-F2131 HydrophobicContact CB-CE1 4.12Å; E1388-F2131 HydrophobicContact CB-CE2 4.12Å; E1388-F2131 HydrophobicContact CB-CZ 3.63Å; E1388-F2131 HydrophobicContact CG-CE2 4.07Å; E1388-F2131 HydrophobicContact CG-CZ 3.99Å; E1388-F2131 WeakPolarHBondContact OE1-CE2 3.46Å; E1388-F2131 WeakPolarHBondContact OE2-CD2 3.45Å; E1388-F2131 VanDerWaalsContact OE2-CE2 3.24Å; E1388-F2131 WeakPolarHBondContact OE2-CE2 3.39Å; H1858-F2131 WeakPolarHBondContact CB-O 3.2Å; I1861-F2131 HydrophobicContact CB-CE1 4.5Å; I1861-F2131 HydrophobicContact CD1-CD1 4Å; I1861-F2131 HydrophobicContact CD1-CE1 4Å; I1861-F2131 HydrophobicContact CD1-CG 4.38Å; I1861-F2131 HydrophobicContact CD1-CZ 4.35Å; I1861-F2131 HydrophobicContact CG2-CE1 3.84Å; I1861-F2131 HydrophobicContact CG2-CZ 4.05Å; V1903-F2131 HydrophobicContact CB-CZ 4.46Å; V1903-F2131 HydrophobicContact CG1-CE1 4.46Å; V1903-F2131 HydrophobicContact CG1-CE2 4.37Å; V1903-F2131 HydrophobicContact CG1-CZ 3.65Å; V1903-F2131 HydrophobicContact CG2-CZ 4.04Å; I1922-F2131 HydrophobicContact CD1-CE2 4.42Å; N2129-F2131 VanDerWaalsContact C-N 3.31Å; N2129-F2131 PolarHBondContact OD1-N 3.32Å; F2131-P2133 WeakPolarHBondContact O-CD 3.32Å |
| 2132 | C | 86.5 | Confident | 80 | Confident | 21 Ų | 21 | 24 Ų | 24 | 14% | 0.142 | 13% | 0.125 | C | C | . | . | trans | -58.7 | 122.4 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | N2129 I2134 N2135 S2136 | N2129-C2132 HydrophobicContact CB-CB 4.21Å; N2129-C2132 WeakPolarHBondContact O-CB 3.4Å; N2129-C2132 PolarHBondContact O-N 3.42Å; N2129-C2132 PolarHBondContact OD1-N 3.05Å; C2132-I2134 VanDerWaalsContact C-N 3.32Å; C2132-I2134 PolarHBondContact O-N 3.43Å; C2132-N2135 HydrophobicContact CB-CB 4.03Å; C2132-N2135 WeakPolarHBondContact O-CB 3.45Å; C2132-N2135 PolarHBondContact O-N 3.05Å; C2132-N2135 VanDerWaalsContact O-N 3.14Å; C2132-S2136 PolarHBondContact O-N 3.31Å | ||
| 2133 | P | 87.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 22.3 Ų | 22.3 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 179.9 | -27.2 | 35.8 | 0 | 0 | 0 | 113.5 | F2131 N2135 S2136 Q2137 | F2131-P2133 WeakPolarHBondContact O-CD 3.32Å; P2133-N2135 VanDerWaalsContact C-N 3.3Å; P2133-N2135 PolarHBondContact O-N 3.08Å; P2133-S2136 WeakPolarHBondContact O-CB 3.33Å; P2133-S2136 PolarHBondContact O-N 3.24Å; P2133-S2136 VanDerWaalsContact O-N 3.13Å; P2133-Q2137 WeakPolarHBondContact O-CG 3.28Å; P2133-Q2137 PolarHBondContact O-N 3.47Å |
| 2134 | I | 88.9 | Confident | 81.5 | Confident | 31 Ų | 31 | 23.1 Ų | 23.1 | 16% | 0.159 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 178.3 | -51.8 | -57.1 | 0 | 0 | 0 | 111.2 | L2106 I2109 C2132 Q2137 R2138 | L2106-I2134 HydrophobicContact CB-CG2 4.25Å; L2106-I2134 HydrophobicContact CD2-CD1 4.26Å; L2106-I2134 HydrophobicContact CD2-CG2 3.84Å; I2109-I2134 HydrophobicContact CB-CG2 4.43Å; I2109-I2134 HydrophobicContact CD1-CD1 4.47Å; I2109-I2134 HydrophobicContact CG2-CD1 4.34Å; I2109-I2134 HydrophobicContact CG2-CG1 4.12Å; I2109-I2134 HydrophobicContact CG2-CG2 4.23Å; C2132-I2134 VanDerWaalsContact C-N 3.32Å; C2132-I2134 PolarHBondContact O-N 3.43Å; I2134-Q2137 PolarHBondContact O-N 3.31Å; I2134-R2138 VanDerWaalsContact O-CB 3.3Å; I2134-R2138 WeakPolarHBondContact O-CB 3.5Å; I2134-R2138 PolarHBondContact O-N 3.46Å |
| 2135 | N | 85.2 | Confident | 82.1 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 176.7 | -167.4 | 20.7 | 0 | 0 | 0 | 111.5 | N2129 C2132 P2133 R2138 L2139 | N2129-N2135 WeakPolarHBondContact O-CB 3.39Å; N2129-N2135 PolarHBondContact O-ND2 2.99Å; C2132-N2135 HydrophobicContact CB-CB 4.03Å; C2132-N2135 WeakPolarHBondContact O-CB 3.45Å; C2132-N2135 PolarHBondContact O-N 3.05Å; C2132-N2135 VanDerWaalsContact O-N 3.14Å; P2133-N2135 VanDerWaalsContact C-N 3.3Å; P2133-N2135 PolarHBondContact O-N 3.08Å; N2135-R2138 PolarHBondContact O-N 3.21Å; N2135-R2138 PolarHBondContact OD1-NE 3.15Å; N2135-R2138 PolarHBondContact OD1-NH2 3.02Å; N2135-L2139 WeakPolarHBondContact O-CG 3.49Å; N2135-L2139 PolarHBondContact O-N 3.43Å |
| 2136 | S | 83.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.6 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | H1858 C2132 P2133 R2138 L2139 I2140 | H1858-S2136 WeakPolarHBondContact CB-OG 3.37Å; H1858-S2136 PolarHBondContact N-OG 3.46Å; H1858-S2136 VanDerWaalsContact ND1-CB 3.31Å; H1858-S2136 WeakPolarHBondContact ND1-CB 3.43Å; H1858-S2136 PolarHBondContact ND1-OG 2.8Å; C2132-S2136 PolarHBondContact O-N 3.31Å; P2133-S2136 WeakPolarHBondContact O-CB 3.33Å; P2133-S2136 PolarHBondContact O-N 3.24Å; P2133-S2136 VanDerWaalsContact O-N 3.13Å; S2136-R2138 VanDerWaalsContact C-N 3.32Å; S2136-R2138 PolarHBondContact O-N 3.5Å; S2136-L2139 PolarHBondContact O-N 2.89Å; S2136-I2140 PolarHBondContact O-N 2.83Å; S2136-I2140 VanDerWaalsContact O-N 3.14Å |
| 2137 | Q | 86.5 | Confident | 82 | Confident | 86 Ų | 86 | 24.7 Ų | 24.7 | 40% | 0.402 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.1 | -71.4 | 172.3 | -20.4 | 0 | 0 | 111.2 | L2106 P2133 I2134 L2139 I2140 A2141 | L2106-Q2137 HydrophobicContact CD1-CB 3.82Å; L2106-Q2137 HydrophobicContact CD2-CB 4.05Å; P2133-Q2137 WeakPolarHBondContact O-CG 3.28Å; P2133-Q2137 PolarHBondContact O-N 3.47Å; I2134-Q2137 PolarHBondContact O-N 3.31Å; Q2137-L2139 PolarHBondContact O-N 3.24Å; Q2137-I2140 PolarHBondContact O-N 2.91Å; Q2137-A2141 PolarHBondContact O-N 2.8Å |
| 2138 | R | 85.4 | Confident | 81.6 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 174.6 | 179.6 | -179.8 | 65 | 170.4 | -0.8 | 112.7 | L2103 L2106 V2124 W2125 I2134 N2135 S2136 I2140 A2141 S2142 | L2103-R2138 HydrophobicContact CD1-CG 3.78Å; L2106-R2138 HydrophobicContact CD1-CB 4.49Å; V2124-R2138 PolarHBondContact O-NH1 3.19Å; V2124-R2138 PolarHBondContact O-NH2 3.27Å; W2125-R2138 HydrophobicContact CH2-CG 3.56Å; W2125-R2138 HydrophobicContact CZ2-CG 4.09Å; W2125-R2138 HydrophobicContact CZ3-CG 3.93Å; I2134-R2138 VanDerWaalsContact O-CB 3.3Å; I2134-R2138 WeakPolarHBondContact O-CB 3.5Å; I2134-R2138 PolarHBondContact O-N 3.46Å; N2135-R2138 PolarHBondContact O-N 3.21Å; N2135-R2138 PolarHBondContact OD1-NE 3.15Å; N2135-R2138 PolarHBondContact OD1-NH2 3.02Å; S2136-R2138 VanDerWaalsContact C-N 3.32Å; S2136-R2138 PolarHBondContact O-N 3.5Å; R2138-I2140 VanDerWaalsContact C-N 3.32Å; R2138-I2140 PolarHBondContact O-N 3.48Å; R2138-A2141 PolarHBondContact O-N 2.93Å; R2138-S2142 WeakPolarHBondContact O-CB 3.5Å; R2138-S2142 PolarHBondContact O-N 3.47Å |
| 2139 | L | 79.2 | Confident | 81.2 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 175.7 | -75.6 | 168.1 | 0 | 0 | 0 | 112.2 | V1941 F2130 N2135 S2136 Q2137 A2143 | V1941-L2139 HydrophobicContact CB-CD2 4.18Å; V1941-L2139 HydrophobicContact CG1-CD2 4.26Å; F2130-L2139 HydrophobicContact CD1-CD1 4.28Å; F2130-L2139 HydrophobicContact CE1-CD1 4.18Å; N2135-L2139 WeakPolarHBondContact O-CG 3.49Å; N2135-L2139 PolarHBondContact O-N 3.43Å; S2136-L2139 PolarHBondContact O-N 2.89Å; Q2137-L2139 PolarHBondContact O-N 3.24Å; L2139-A2143 WeakPolarHBondContact O-CB 3.34Å; L2139-A2143 PolarHBondContact O-N 3.35Å; L2139-A2143 VanDerWaalsContact O-N 3.12Å |
| 2140 | I | 81.7 | Confident | 80.2 | Confident | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.195 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -53.9 | 173.3 | -67.7 | 172.6 | 0 | 0 | 0 | 110.3 | S2136 Q2137 R2138 S2142 A2143 D2144 | S2136-I2140 PolarHBondContact O-N 2.83Å; S2136-I2140 VanDerWaalsContact O-N 3.14Å; Q2137-I2140 PolarHBondContact O-N 2.91Å; R2138-I2140 VanDerWaalsContact C-N 3.32Å; R2138-I2140 PolarHBondContact O-N 3.48Å; I2140-S2142 VanDerWaalsContact C-N 3.3Å; I2140-S2142 PolarHBondContact O-N 3.32Å; I2140-A2143 WeakPolarHBondContact O-CA 3.36Å; I2140-A2143 WeakPolarHBondContact O-CB 3.4Å; I2140-A2143 PolarHBondContact O-N 2.71Å; I2140-D2144 PolarHBondContact O-N 2.98Å |
| 2141 | A | 84.8 | Confident | 79.2 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V2099 L2103 Q2137 R2138 A2143 L2145 | V2099-A2141 HydrophobicContact CG1-CB 4.23Å; V2099-A2141 WeakPolarHBondContact CG1-O 3.35Å; L2103-A2141 HydrophobicContact CB-CB 4.26Å; L2103-A2141 HydrophobicContact CD1-CB 4.29Å; Q2137-A2141 PolarHBondContact O-N 2.8Å; R2138-A2141 PolarHBondContact O-N 2.93Å; A2141-A2143 VanDerWaalsContact C-N 3.34Å; A2141-A2143 PolarHBondContact O-N 2.9Å; A2141-L2145 WeakPolarHBondContact O-CB 3.45Å; A2141-L2145 PolarHBondContact O-N 3.46Å |
| 2142 | S | 79.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 171.1 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | V1941 R2138 I2140 A2146 | V1941-S2142 PolarHBondContact O-OG 3.09Å; R2138-S2142 WeakPolarHBondContact O-CB 3.5Å; R2138-S2142 PolarHBondContact O-N 3.47Å; I2140-S2142 VanDerWaalsContact C-N 3.3Å; I2140-S2142 PolarHBondContact O-N 3.32Å; S2142-A2146 VanDerWaalsContact O-CB 3.29Å; S2142-A2146 WeakPolarHBondContact O-CB 3.3Å; S2142-A2146 PolarHBondContact O-N 3.24Å |
| 2143 | A | 74.8 | Confident | 76.8 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.5 | -43.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1942 L2139 I2140 A2141 A2146 L2147 | L1942-A2143 HydrophobicContact CD2-CB 4.04Å; L2139-A2143 WeakPolarHBondContact O-CB 3.34Å; L2139-A2143 PolarHBondContact O-N 3.35Å; L2139-A2143 VanDerWaalsContact O-N 3.12Å; I2140-A2143 WeakPolarHBondContact O-CA 3.36Å; I2140-A2143 WeakPolarHBondContact O-CB 3.4Å; I2140-A2143 PolarHBondContact O-N 2.71Å; A2141-A2143 VanDerWaalsContact C-N 3.34Å; A2141-A2143 PolarHBondContact O-N 2.9Å; A2143-A2146 PolarHBondContact O-N 3.15Å; A2143-L2147 WeakPolarHBondContact O-CG 3.37Å; A2143-L2147 PolarHBondContact O-N 2.93Å |
| 2144 | D | 79.1 | Confident | 75.2 | Confident | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 173 | -78.5 | -45.2 | 0 | 0 | 0 | 111 | R1854 V2099 I2140 A2146 L2147 F2148 | R1854-D2144 IonicContact CZ-OD1 2.78Å; R1854-D2144 IonicContact CZ-OD2 2.66Å; R1854-D2144 IonicContact NH1-OD1 3.69Å; R1854-D2144 PolarHBondContact NH1-OD1 3.48Å; R1854-D2144 IonicContact NH1-OD2 3.42Å; R1854-D2144 PolarHBondContact NH1-OD2 3.14Å; R1854-D2144 IonicContact NH2-OD1 3.61Å; R1854-D2144 PolarHBondContact NH2-OD1 3.11Å; R1854-D2144 VanDerWaalsContact NH2-OD1 3.14Å; V2099-D2144 HydrophobicContact CG1-CB 4.06Å; V2099-D2144 HydrophobicContact CG2-CB 4.33Å; I2140-D2144 PolarHBondContact O-N 2.98Å; D2144-A2146 VanDerWaalsContact C-N 3.32Å; D2144-A2146 PolarHBondContact O-N 3.17Å; D2144-L2147 WeakPolarHBondContact O-CA 3.33Å; D2144-L2147 WeakPolarHBondContact O-CB 3.38Å; D2144-L2147 PolarHBondContact O-N 3.22Å; D2144-F2148 HydrophobicContact CB-CE2 4.46Å; D2144-F2148 VanDerWaalsContact O-CD2 3.25Å; D2144-F2148 WeakPolarHBondContact O-CD2 3.4Å; D2144-F2148 PolarHBondContact O-N 2.9Å |
| 2145 | L | 80.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 178.3 | -168.3 | 59.6 | 0 | 0 | 0 | 110.4 | R1940 I2096 V2099 L2103 A2141 L2147 F2148 W2149 | R1940-L2145 VanDerWaalsContact CZ-CD2 3.44Å; I2096-L2145 HydrophobicContact CG2-CD1 4.49Å; V2099-L2145 HydrophobicContact CG1-CB 4.05Å; L2103-L2145 HydrophobicContact CD2-CD2 3.79Å; A2141-L2145 WeakPolarHBondContact O-CB 3.45Å; A2141-L2145 PolarHBondContact O-N 3.46Å; L2145-L2147 VanDerWaalsContact C-N 3.3Å; L2145-L2147 PolarHBondContact O-N 2.86Å; L2145-F2148 PolarHBondContact O-N 3.27Å; L2145-W2149 PolarHBondContact O-N 2.74Å |
| 2146 | A | 72.3 | Confident | 72 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -29 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1942 S2142 A2143 D2144 T2150 | L1942-A2146 HydrophobicContact CD2-CB 3.74Å; S2142-A2146 VanDerWaalsContact O-CB 3.29Å; S2142-A2146 WeakPolarHBondContact O-CB 3.3Å; S2142-A2146 PolarHBondContact O-N 3.24Å; A2143-A2146 PolarHBondContact O-N 3.15Å; D2144-A2146 VanDerWaalsContact C-N 3.32Å; D2144-A2146 PolarHBondContact O-N 3.17Å; A2146-T2150 WeakPolarHBondContact O-CB 3.46Å; A2146-T2150 WeakPolarHBondContact O-CG2 3.35Å; A2146-T2150 PolarHBondContact O-N 3.33Å; A2146-T2150 PolarHBondContact O-OG1 3.5Å |
| 2147 | L | 70.8 | Confident | 70.4 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 45% | 0.45 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 172.4 | -75.4 | 167.7 | 0 | 0 | 0 | 111 | A2143 D2144 L2145 W2149 T2150 H2151 | A2143-L2147 WeakPolarHBondContact O-CG 3.37Å; A2143-L2147 PolarHBondContact O-N 2.93Å; D2144-L2147 WeakPolarHBondContact O-CA 3.33Å; D2144-L2147 WeakPolarHBondContact O-CB 3.38Å; D2144-L2147 PolarHBondContact O-N 3.22Å; L2145-L2147 VanDerWaalsContact C-N 3.3Å; L2145-L2147 PolarHBondContact O-N 2.86Å; L2147-W2149 PolarHBondContact O-N 3.4Å; L2147-T2150 WeakPolarHBondContact CA-OG1 3.48Å; L2147-T2150 PolarHBondContact O-N 2.81Å; L2147-T2150 VanDerWaalsContact O-N 3.12Å; L2147-T2150 PolarHBondContact O-OG1 3.41Å; L2147-H2151 PolarHBondContact O-CD2 3.27Å; L2147-H2151 PolarHBondContact O-N 2.9Å |
| 2148 | F | 73.2 | Confident | 68.5 | Low | 38 Ų | 38 | 60 Ų | 60 | 17% | 0.167 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -49 | 172.8 | -63.7 | -56 | 0 | 0 | 0 | 111.5 | L2092 N2095 I2096 V2099 D2144 L2145 T2150 Y2152 | L2092-F2148 HydrophobicContact CD1-CD1 3.64Å; L2092-F2148 HydrophobicContact CD1-CE1 3.92Å; L2092-F2148 HydrophobicContact CD1-CG 4.48Å; N2095-F2148 HydrophobicContact CB-CZ 3.97Å; I2096-F2148 HydrophobicContact CD1-CB 4.3Å; I2096-F2148 HydrophobicContact CD1-CG 4.47Å; I2096-F2148 HydrophobicContact CG1-CB 4.16Å; I2096-F2148 HydrophobicContact CG1-CD1 4.43Å; I2096-F2148 HydrophobicContact CG1-CD2 3.88Å; I2096-F2148 HydrophobicContact CG1-CE2 4.39Å; I2096-F2148 HydrophobicContact CG1-CG 3.92Å; V2099-F2148 HydrophobicContact CG2-CE2 4.22Å; D2144-F2148 HydrophobicContact CB-CE2 4.46Å; D2144-F2148 VanDerWaalsContact O-CD2 3.25Å; D2144-F2148 WeakPolarHBondContact O-CD2 3.4Å; D2144-F2148 PolarHBondContact O-N 2.9Å; L2145-F2148 PolarHBondContact O-N 3.27Å; F2148-T2150 PolarHBondContact O-N 2.84Å; F2148-Y2152 HydrophobicContact CD1-CD2 4.31Å; F2148-Y2152 HydrophobicContact CD1-CE2 4.12Å; F2148-Y2152 PolarHBondContact O-N 3.17Å |
| 2149 | W | 69.2 | Low | 66.5 | Low | 116 Ų | 116 | 62.1 Ų | 62.1 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -18 | 177.3 | -72.6 | 109.4 | 0 | 0 | 0 | 114.6 | L2145 L2147 N2153 L2156 | L2145-W2149 PolarHBondContact O-N 2.74Å; L2147-W2149 PolarHBondContact O-N 3.4Å; W2149-N2153 VanDerWaalsContact O-CB 3.3Å; W2149-N2153 WeakPolarHBondContact O-CB 3.4Å; W2149-N2153 PolarHBondContact O-ND2 3.28Å; W2149-L2156 HydrophobicContact CD2-CD1 4.36Å; W2149-L2156 HydrophobicContact CE3-CD1 3.75Å; W2149-L2156 HydrophobicContact CZ3-CB 4.42Å; W2149-L2156 HydrophobicContact CZ3-CD1 3.87Å |
| 2150 | T | 65.9 | Low | 64.5 | Low | 99 Ų | 99 | 67.9 Ų | 67.9 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -98.8 | -34.7 | 177.5 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | A2146 L2147 F2148 | A2146-T2150 WeakPolarHBondContact O-CB 3.46Å; A2146-T2150 WeakPolarHBondContact O-CG2 3.35Å; A2146-T2150 PolarHBondContact O-N 3.33Å; A2146-T2150 PolarHBondContact O-OG1 3.5Å; L2147-T2150 WeakPolarHBondContact CA-OG1 3.48Å; L2147-T2150 PolarHBondContact O-N 2.81Å; L2147-T2150 VanDerWaalsContact O-N 3.12Å; L2147-T2150 PolarHBondContact O-OG1 3.41Å; F2148-T2150 PolarHBondContact O-N 2.84Å |
| 2151 | H | 63.5 | Low | 62.4 | Low | 137 Ų | 137 | 70 Ų | 70 | 63% | 0.634 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.7 | -46 | 174.3 | -81.4 | -100.7 | 0 | 0 | 0 | 112 | L2147 | L2147-H2151 PolarHBondContact O-CD2 3.27Å; L2147-H2151 PolarHBondContact O-N 2.9Å |
| 2152 | Y | 64.4 | Low | 60.3 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -99.5 | 14.9 | -173.1 | -57.2 | -78.3 | 0 | 0 | 0 | 113.9 | L2092 F2148 R2154 C2155 L2156 | L2092-Y2152 HydrophobicContact CD1-CD2 3.88Å; L2092-Y2152 HydrophobicContact CD1-CE2 3.68Å; L2092-Y2152 HydrophobicContact CD2-CD1 3.92Å; L2092-Y2152 HydrophobicContact CD2-CD2 4.07Å; L2092-Y2152 HydrophobicContact CD2-CE1 4.12Å; L2092-Y2152 HydrophobicContact CD2-CE2 4.27Å; L2092-Y2152 HydrophobicContact CD2-CG 3.9Å; F2148-Y2152 HydrophobicContact CD1-CD2 4.31Å; F2148-Y2152 HydrophobicContact CD1-CE2 4.12Å; F2148-Y2152 PolarHBondContact O-N 3.17Å; Y2152-R2154 PolarHBondContact O-N 3.02Å; Y2152-C2155 PolarHBondContact O-N 3.25Å; Y2152-L2156 WeakPolarHBondContact O-CG 3.24Å; Y2152-L2156 PolarHBondContact O-N 3.06Å |
| 2153 | N | 58.3 | Low | 58.2 | Low | 66 Ų | 66 | 85.4 Ų | 85.4 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.5 | -31.7 | -175.4 | -154.8 | -81.2 | 0 | 0 | 0 | 113.6 | W2149 K2157 | W2149-N2153 VanDerWaalsContact O-CB 3.3Å; W2149-N2153 WeakPolarHBondContact O-CB 3.4Å; W2149-N2153 PolarHBondContact O-ND2 3.28Å; N2153-K2157 WeakPolarHBondContact O-CG 3.27Å; N2153-K2157 VanDerWaalsContact OD1-CE 3.3Å; N2153-K2157 WeakPolarHBondContact OD1-CE 3.46Å; N2153-K2157 PolarHBondContact OD1-NZ 3.01Å |
| 2154 | R | 52.3 | Low | 56.3 | Low | 191 Ų | 191 | 87 Ų | 87 | 72% | 0.721 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -78.8 | -31.5 | 180 | -149.4 | 177.5 | -165.7 | -173.2 | 1.1 | 112.5 | Y2152 | Y2152-R2154 PolarHBondContact O-N 3.02Å |
| 2155 | C | 54 | Low | 54 | Low | 28 Ų | 28 | 94.7 Ų | 94.7 | 19% | 0.189 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -80.7 | -48.3 | -178.4 | -35.5 | 0 | 0 | 0 | 0 | 110.4 | Q2070 Y2152 K2157 Q2158 M2159 | Q2070-C2155 WeakPolarHBondContact O-CB 3.37Å; Q2070-C2155 PolarHBondContact O-SG 2.85Å; Y2152-C2155 PolarHBondContact O-N 3.25Å; C2155-K2157 VanDerWaalsContact C-N 3.27Å; C2155-K2157 PolarHBondContact O-N 2.82Å; C2155-Q2158 WeakPolarHBondContact O-CB 3.28Å; C2155-Q2158 PolarHBondContact O-N 3.1Å; C2155-M2159 PolarHBondContact O-N 3.18Å |
| 2156 | L | 53.4 | Low | 52.7 | Low | 26 Ų | 26 | 99.4 Ų | 99.4 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 179.9 | -68.6 | 168.6 | 0 | 0 | 0 | 112.2 | W2149 Y2152 Q2158 M2159 D2160 | W2149-L2156 HydrophobicContact CD2-CD1 4.36Å; W2149-L2156 HydrophobicContact CE3-CD1 3.75Å; W2149-L2156 HydrophobicContact CZ3-CB 4.42Å; W2149-L2156 HydrophobicContact CZ3-CD1 3.87Å; Y2152-L2156 WeakPolarHBondContact O-CG 3.24Å; Y2152-L2156 PolarHBondContact O-N 3.06Å; L2156-Q2158 PolarHBondContact O-N 2.99Å; L2156-M2159 CarbonylContact O-C 3.53Å; L2156-M2159 PolarHBondContact O-N 2.86Å; L2156-D2160 PolarHBondContact O-N 3.5Å |
| 2157 | K | 50.8 | Low | 51.7 | Low | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.8 | 173.6 | -73.9 | -178.2 | 178.7 | 178.9 | 0 | 115.3 | N2153 C2155 | N2153-K2157 WeakPolarHBondContact O-CG 3.27Å; N2153-K2157 VanDerWaalsContact OD1-CE 3.3Å; N2153-K2157 WeakPolarHBondContact OD1-CE 3.46Å; N2153-K2157 PolarHBondContact OD1-NZ 3.01Å; C2155-K2157 VanDerWaalsContact C-N 3.27Å; C2155-K2157 PolarHBondContact O-N 2.82Å |
| 2158 | Q | 45.2 | Very low | 50.6 | Low | 142 Ų | 142 | 104.6 Ų | 104.6 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -12.1 | 168.7 | -65.1 | -172.5 | -46 | 0 | 0 | 111.9 | C2155 L2156 | C2155-Q2158 WeakPolarHBondContact O-CB 3.28Å; C2155-Q2158 PolarHBondContact O-N 3.1Å; L2156-Q2158 PolarHBondContact O-N 2.99Å |
| 2159 | M | 44.9 | Very low | 49.3 | Very low | 49 Ų | 49 | 108.5 Ų | 108.5 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | trans | -96.1 | 19 | 171.4 | -66.7 | -178.5 | 166.8 | 0 | 0 | 112.6 | T2089 C2155 L2156 T2161 | T2089-M2159 HydrophobicContact CG2-CE 3.84Å; C2155-M2159 PolarHBondContact O-N 3.18Å; L2156-M2159 CarbonylContact O-C 3.53Å; L2156-M2159 PolarHBondContact O-N 2.86Å; M2159-T2161 PolarHBondContact O-N 2.86Å | ||
| 2160 | D | 36.9 | Very low | 48 | Very low | 134 Ų | 134 | 108.1 Ų | 108.1 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | trans | -71.9 | 34.4 | 175.3 | -97.4 | -40.4 | 0 | 0 | 0 | 113 | L2156 | L2156-D2160 PolarHBondContact O-N 3.5Š| ||
| 2161 | T | 36.8 | Very low | 46.8 | Very low | 82 Ų | 82 | 108.7 Ų | 108.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | trans | -118.7 | 119.7 | 163.7 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | M2159 H2163 S2164 | M2159-T2161 PolarHBondContact O-N 2.86Å; T2161-H2163 PolarHBondContact O-N 3.24Å; T2161-S2164 PolarHBondContact O-N 2.9Å; T2161-S2164 VanDerWaalsContact O-N 3.08Å; T2161-S2164 PolarHBondContact O-OG 3.08Å; T2161-S2164 WeakPolarHBondContact OG1-CB 3.34Å; T2161-S2164 PolarHBondContact OG1-OG 2.75Å | ||
| 2162 | V | 40.2 | Very low | 45.6 | Very low | 144 Ų | 144 | 106.6 Ų | 106.6 | 87% | 0.873 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 13.3 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 2163 | H | 36.8 | Very low | 44.2 | Very low | 187 Ų | 187 | 110.5 Ų | 110.5 | 87% | 0.866 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 15 | 176.1 | -67.2 | -56.6 | 0 | 0 | 0 | 112.5 | T2161 | T2161-H2163 PolarHBondContact O-N 3.24Š|
| 2164 | S | 34.7 | Very low | 43 | Very low | 60 Ų | 60 | 114.2 Ų | 114.2 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | trans | -107.9 | 3.9 | 178.5 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | T2161 | T2161-S2164 PolarHBondContact O-N 2.9Å; T2161-S2164 VanDerWaalsContact O-N 3.08Å; T2161-S2164 PolarHBondContact O-OG 3.08Å; T2161-S2164 WeakPolarHBondContact OG1-CB 3.34Å; T2161-S2164 PolarHBondContact OG1-OG 2.75Å | ||
| 2165 | W | 30.3 | Very low | 42.2 | Very low | 187 Ų | 187 | 107.2 Ų | 107.2 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | trans | -133.1 | 0 | 178.6 | -80.3 | 50.3 | 0 | 0 | 0 | 109.3 |
Retrieved 2,165 of 2,165 residues in 2060.3 ms
(Link to these results)