| 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 | 78.6 | Confident | 91.2 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | 0 | 142.7 | 0 | -172.9 | -162.3 | -103.6 | 0 | 0 | 109.9 | L54 L56 N76 D538 G542 K546 E547 | M1-L54 HydrophobicContact CB-CD2 4.29Å; M1-L54 VanDerWaalsContact O-CB 3.31Å; M1-L54 WeakPolarHBondContact O-CB 3.22Å; M1-L54 PolarHBondContact O-N 3.34Å; M1-L56 HydrophobicContact CB-CD1 4.5Å; M1-N76 WeakPolarHBondContact CA-OD1 3.14Å; M1-N76 WeakPolarHBondContact CG-OD1 3.26Å; M1-D538 WeakPolarHBondContact CE-OD1 3.5Å; M1-G542 VanDerWaalsContact SD-CA 3.54Å; M1-K546 WeakPolarHBondContact CE-O 3.35Å; M1-E547 WeakPolarHBondContact CA-OE2 3.39Å; M1-E547 HydrophobicContact CB-CB 3.85Å; M1-E547 HydrophobicContact CB-CG 3.91Å; M1-E547 WeakPolarHBondContact CB-OE2 3.17Å; M1-E547 PolarHBondContact N-OE2 3.13Å | |||
| 2 | C | 90.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.041 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.9 | 177.8 | -71.6 | 0 | 0 | 0 | 0 | 110.6 | I4 H52 Q63 N76 | C2-I4 HydrophobicContact CB-CG2 4.05Å; C2-H52 CarbonylContact C-O 3.58Å; C2-H52 WeakPolarHBondContact CA-O 3.5Å; C2-H52 WeakPolarHBondContact CB-O 3.41Å; C2-Q63 PolarHBondContact SG-NE2 2.75Å; C2-Q63 VanDerWaalsContact SG-NE2 3.41Å; C2-N76 HydrophobicContact CB-CB 4.3Å; C2-N76 PolarHBondContact N-OD1 3Å; C2-N76 PolarHBondContact O-OD1 3.41Å |
| 3 | G | 97.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.9 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | G51 H52 S158 | G3-G51 CarbonylContact O-C 3.56Å; G3-H52 PolarHBondContact N-O 3.29Å; G3-H52 PolarHBondContact O-CD2 2.77Å; G3-H52 PolarHBondContact O-N 2.94Å; G3-S158 WeakPolarHBondContact CA-OG 3.48Å |
| 4 | I | 98.6 | Very high | 84 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.6 | 177.4 | 64.4 | 172 | 0 | 0 | 0 | 110.9 | C2 L27 S50 L74 N76 I122 L143 S157 S158 | C2-I4 HydrophobicContact CB-CG2 4.05Å; I4-L27 WeakPolarHBondContact O-CD2 3.45Å; I4-S50 CarbonylContact C-O 3.45Å; I4-L74 HydrophobicContact CB-CB 4.06Å; I4-L74 HydrophobicContact CB-CD2 4.12Å; I4-L74 HydrophobicContact CB-CG 4.5Å; I4-L74 HydrophobicContact CG2-CB 3.96Å; I4-L74 HydrophobicContact CG2-CD2 3.87Å; I4-N76 HydrophobicContact CD1-CB 3.86Å; I4-N76 HydrophobicContact CG1-CB 4.05Å; I4-N76 HydrophobicContact CG2-CB 4.12Å; I4-I122 HydrophobicContact CD1-CD1 4.29Å; I4-I122 HydrophobicContact CD1-CG1 4.22Å; I4-I122 HydrophobicContact CG1-CD1 4.46Å; I4-L143 HydrophobicContact CD1-CD1 4.35Å; I4-S157 CarbonylContact O-C 3.57Å; I4-S157 WeakPolarHBondContact O-CA 3.02Å; I4-S158 PolarHBondContact N-OG 3.14Å; I4-S158 PolarHBondContact O-N 2.85Å; I4-S158 PolarHBondContact O-OG 3.33Å |
| 5 | C | 98.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.4 | 176.5 | 178 | 0 | 0 | 0 | 0 | 111.7 | L19 L27 F49 S50 L74 L156 | C5-L19 HydrophobicContact CB-CD1 4.26Å; C5-L27 HydrophobicContact CB-CD1 3.54Å; C5-L27 HydrophobicContact CB-CD2 4.14Å; C5-F49 CarbonylContact O-C 3.58Å; C5-F49 WeakPolarHBondContact O-CA 3.44Å; C5-S50 PolarHBondContact N-O 2.82Å; C5-S50 PolarHBondContact O-N 3.3Å; C5-L74 WeakPolarHBondContact O-CD1 3.47Å; C5-L156 CarbonylContact C-O 3.55Å; C5-L156 WeakPolarHBondContact CA-O 3.38Å; C5-L156 PolarHBondContact SG-O 3.46Å |
| 6 | C | 97.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116.2 | 168.2 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | L48 F49 I122 C155 L156 | C6-L48 CarbonylContact C-O 3.48Å; C6-L48 WeakPolarHBondContact CA-O 3.46Å; C6-F49 HydrophobicContact CB-CD1 3.94Å; C6-F49 HydrophobicContact CB-CE1 4.11Å; C6-F49 WeakPolarHBondContact SG-CE1 3.12Å; C6-I122 HydrophobicContact CB-CD1 3.79Å; C6-I122 HydrophobicContact CB-CG2 3.87Å; C6-C155 CarbonylContact O-C 3.55Å; C6-C155 WeakPolarHBondContact O-CA 3.33Å; C6-L156 HydrophobicContact CB-CB 4.48Å; C6-L156 PolarHBondContact N-O 2.83Å; C6-L156 PolarHBondContact O-N 2.82Å |
| 7 | S | 94.9 | Very high | 80.2 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.5 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | C47 L48 | S7-C47 CarbonylContact O-C 3.58Å; S7-C47 VanDerWaalsContact O-CA 3.28Å; S7-C47 WeakPolarHBondContact O-CA 3.24Å; S7-L48 PolarHBondContact N-O 3.21Å; S7-L48 PolarHBondContact O-N 2.96Å |
| 8 | V | 93.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.5 | 178 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | F10 Q46 L131 S153 F154 L183 | V8-F10 HydrophobicContact CB-CZ 4.47Å; V8-F10 HydrophobicContact CG1-CD1 4.34Å; V8-F10 HydrophobicContact CG1-CE1 3.72Å; V8-F10 HydrophobicContact CG1-CE2 4.21Å; V8-F10 HydrophobicContact CG1-CZ 3.64Å; V8-Q46 CarbonylContact C-O 3.57Å; V8-Q46 WeakPolarHBondContact CA-O 3.4Å; V8-L131 HydrophobicContact CG2-CD2 4.01Å; V8-S153 CarbonylContact O-C 3.12Å; V8-S153 VanDerWaalsContact O-CA 3.27Å; V8-S153 WeakPolarHBondContact O-CA 3.34Å; V8-F154 HydrophobicContact CB-CB 4.37Å; V8-F154 HydrophobicContact CB-CD1 4.32Å; V8-F154 HydrophobicContact CG2-CD1 4.03Å; V8-F154 PolarHBondContact N-O 3.34Å; V8-F154 PolarHBondContact O-N 3.04Å; V8-L183 HydrophobicContact CG1-CD2 4.09Å; V8-L183 HydrophobicContact CG2-CD2 4.44Å |
| 9 | N | 90.5 | Very high | 79.9 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130 | 174.1 | -164.6 | -23.4 | 0 | 0 | 0 | 109.7 | S11 H14 F15 Y45 Q46 K152 | N9-S11 WeakPolarHBondContact OD1-CB 3.31Å; N9-S11 PolarHBondContact OD1-N 2.91Å; N9-S11 PolarHBondContact OD1-O 3.29Å; N9-H14 PolarHBondContact ND2-O 2.72Å; N9-F15 HydrophobicContact CB-CD2 3.52Å; N9-F15 HydrophobicContact CB-CE2 3.87Å; N9-Y45 CarbonylContact O-C 3.58Å; N9-Y45 VanDerWaalsContact O-CA 3.25Å; N9-Y45 WeakPolarHBondContact O-CA 3.27Å; N9-Y45 WeakPolarHBondContact O-CB 3.42Å; N9-Q46 PolarHBondContact N-O 3.43Å; N9-Q46 PolarHBondContact O-N 3.33Å; N9-K152 PolarHBondContact OD1-O 3.38Å |
| 10 | F | 87.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -96.6 | 7.8 | 178.8 | -56.5 | -69.7 | 0 | 0 | 0 | 112 | V8 K152 F154 L183 T186 A187 R190 I192 | V8-F10 HydrophobicContact CB-CZ 4.47Å; V8-F10 HydrophobicContact CG1-CD1 4.34Å; V8-F10 HydrophobicContact CG1-CE1 3.72Å; V8-F10 HydrophobicContact CG1-CE2 4.21Å; V8-F10 HydrophobicContact CG1-CZ 3.64Å; F10-K152 PolarHBondContact N-O 2.88Å; F10-F154 HydrophobicContact CE2-CB 4.24Å; F10-L183 HydrophobicContact CE1-CD2 4.25Å; F10-L183 HydrophobicContact CZ-CD2 4.24Å; F10-T186 HydrophobicContact CD1-CG2 4.09Å; F10-T186 HydrophobicContact CD2-CG2 4.11Å; F10-T186 HydrophobicContact CE1-CG2 3.56Å; F10-T186 HydrophobicContact CE2-CG2 3.58Å; F10-T186 HydrophobicContact CG-CG2 4.35Å; F10-T186 HydrophobicContact CZ-CG2 3.28Å; F10-A187 HydrophobicContact CD1-CB 3.85Å; F10-R190 VanDerWaalsContact O-CZ 3.25Å; F10-R190 PolarHBondContact O-NH1 3.49Å; F10-R190 PolarHBondContact O-NH2 3.43Å; F10-I192 HydrophobicContact CE2-CD1 4.39Å; F10-I192 HydrophobicContact CE2-CG1 4.35Å |
| 11 | S | 74.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | trans | -128.5 | 120.2 | -176.7 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | N9 E13 | N9-S11 WeakPolarHBondContact OD1-CB 3.31Å; N9-S11 PolarHBondContact OD1-N 2.91Å; N9-S11 PolarHBondContact OD1-O 3.29Å; S11-E13 VanDerWaalsContact C-N 3.29Å; S11-E13 PolarHBondContact O-N 2.81Å | ||
| 12 | A | 60.7 | Low | 81.1 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -66.6 | -25.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H14 | A12-H14 PolarHBondContact O-N 2.82Š|
| 13 | E | 58.3 | Low | 81.1 | Confident | 162 Ų | 162 | 61 Ų | 61 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -78.8 | -10.2 | -168.5 | -66.5 | 179.6 | 169.2 | 0 | 0 | 115.3 | S11 | S11-E13 VanDerWaalsContact C-N 3.29Å; S11-E13 PolarHBondContact O-N 2.81Å |
| 14 | H | 54.3 | Low | 81 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 67% | 0.671 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -144.8 | 40.2 | -168.9 | -65.3 | 73.7 | 0 | 0 | 0 | 113.7 | N9 A12 | N9-H14 PolarHBondContact ND2-O 2.72Å; A12-H14 PolarHBondContact O-N 2.82Å |
| 15 | F | 60.6 | Low | 80.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | trans | -87.5 | 113.2 | 177.2 | -164.9 | -98 | 0 | 0 | 0 | 112.1 | N9 Q17 F39 Q46 L48 | N9-F15 HydrophobicContact CB-CD2 3.52Å; N9-F15 HydrophobicContact CB-CE2 3.87Å; F15-Q17 HydrophobicContact CD1-CG 4.15Å; F15-Q17 HydrophobicContact CE1-CG 4.33Å; F15-F39 AromaticContact CD1-CE2 3.88Å; F15-F39 HydrophobicContact CD1-CE2 3.88Å; F15-F39 AromaticContact CE1-CD2 3.71Å; F15-F39 HydrophobicContact CE1-CD2 3.71Å; F15-F39 AromaticContact CE1-CE2 3.25Å; F15-F39 HydrophobicContact CE1-CE2 3.25Å; F15-F39 HydrophobicContact CE1-CZ 4.32Å; F15-F39 HydrophobicContact CE2-CE2 4.5Å; F15-F39 HydrophobicContact CZ-CD2 4.01Å; F15-F39 AromaticContact CZ-CE2 3.61Å; F15-F39 HydrophobicContact CZ-CE2 3.61Å; F15-Q46 HydrophobicContact CD2-CB 3.82Å; F15-Q46 HydrophobicContact CE2-CB 3.76Å; F15-Q46 HydrophobicContact CG-CB 4.31Å; F15-Q46 HydrophobicContact CZ-CB 4.21Å; F15-L48 HydrophobicContact CZ-CB 3.93Å | ||
| 16 | S | 62.6 | Low | 80.7 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | trans | -75.2 | 121.4 | 160.7 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | D18 | S16-D18 WeakPolarHBondContact CB-O 3.49Å; S16-D18 PolarHBondContact O-N 2.83Å; S16-D18 PolarHBondContact OG-N 3.45Å; S16-D18 PolarHBondContact OG-O 3.13Å | ||
| 17 | Q | 64.4 | Low | 80.7 | Confident | 138 Ų | 138 | 68.8 Ų | 68.8 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -65.9 | -14.5 | 171.6 | -74.7 | -178.3 | -12.9 | 0 | 0 | 112.6 | F15 L48 | F15-Q17 HydrophobicContact CD1-CG 4.15Å; F15-Q17 HydrophobicContact CE1-CG 4.33Å; Q17-L48 VanDerWaalsContact O-CD2 3.29Å; Q17-L48 WeakPolarHBondContact O-CD2 3.22Å |
| 18 | D | 70.6 | Confident | 80.8 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -111 | 143.5 | -179.8 | -62.6 | -47.2 | 0 | 0 | 0 | 112.2 | S16 | S16-D18 WeakPolarHBondContact CB-O 3.49Å; S16-D18 PolarHBondContact O-N 2.83Å; S16-D18 PolarHBondContact OG-N 3.45Å; S16-D18 PolarHBondContact OG-O 3.13Å |
| 19 | L | 82.7 | Confident | 81 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | trans | -66.8 | 150.1 | 164.5 | -66.1 | 178 | 0 | 0 | 0 | 109.7 | C5 E21 L23 L24 L27 L48 | C5-L19 HydrophobicContact CB-CD1 4.26Å; L19-E21 PolarHBondContact O-N 2.92Å; L19-L23 HydrophobicContact CD2-CD2 4.29Å; L19-L24 HydrophobicContact CB-CB 4.41Å; L19-L27 HydrophobicContact CD1-CD1 3.85Å; L19-L48 HydrophobicContact CD2-CD2 3.89Å; L19-L48 HydrophobicContact CG-CD2 3.8Å | ||
| 20 | K | 86.3 | Confident | 81.3 | Confident | 155 Ų | 155 | 74 Ų | 74 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | trans | -52.8 | 136.6 | 170.1 | -66.2 | -175.1 | 178.1 | -177.4 | 0 | 110 | D22 L23 L24 | K20-D22 VanDerWaalsContact C-N 3.31Å; K20-D22 PolarHBondContact O-N 3.17Å; K20-L23 HydrophobicContact CB-CB 4.49Å; K20-L23 WeakPolarHBondContact O-CB 3.48Å; K20-L23 PolarHBondContact O-N 3.08Å; K20-L24 PolarHBondContact O-N 2.96Å | ||
| 21 | E | 88.1 | Confident | 81.8 | Confident | 166 Ų | 166 | 74 Ų | 74 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -53.4 | -45.2 | -173.8 | -68 | -175.9 | 168.8 | 0 | 0 | 112.9 | L19 L23 L24 Y25 | L19-E21 PolarHBondContact O-N 2.92Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.6Å; E21-L24 PolarHBondContact O-N 3.06Å; E21-Y25 WeakPolarHBondContact O-CB 3.31Å; E21-Y25 PolarHBondContact O-N 3.03Å |
| 22 | D | 89.3 | Confident | 82.8 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 178.6 | -65.3 | -27 | 0 | 0 | 0 | 112.7 | K20 N26 T161 | K20-D22 VanDerWaalsContact C-N 3.31Å; K20-D22 PolarHBondContact O-N 3.17Å; D22-N26 PolarHBondContact O-N 2.88Å; D22-N26 PolarHBondContact O-ND2 2.91Å; D22-N26 PolarHBondContact O-OD1 3.02Å; D22-T161 HydrophobicContact CB-CG2 3.69Å |
| 23 | L | 92.6 | Very high | 84.5 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 179.7 | 178.6 | 61 | 0 | 0 | 0 | 109.9 | L19 K20 E21 Y25 N26 L27 V159 T161 W170 | L19-L23 HydrophobicContact CD2-CD2 4.29Å; K20-L23 HydrophobicContact CB-CB 4.49Å; K20-L23 WeakPolarHBondContact O-CB 3.48Å; K20-L23 PolarHBondContact O-N 3.08Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.6Å; L23-Y25 VanDerWaalsContact C-N 3.3Å; L23-Y25 PolarHBondContact O-N 2.77Å; L23-N26 PolarHBondContact O-N 2.97Å; L23-L27 HydrophobicContact CD1-CD1 4.32Å; L23-L27 HydrophobicContact CD1-CG 4.46Å; L23-L27 HydrophobicContact CG-CD1 4.03Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.5Å; L23-V159 WeakPolarHBondContact CD1-O 3.35Å; L23-T161 VanDerWaalsContact CA-CG2 3.44Å; L23-T161 HydrophobicContact CB-CG2 3.72Å; L23-T161 HydrophobicContact CD1-CG2 4.27Å; L23-T161 VanDerWaalsContact N-CG2 3.32Å; L23-W170 HydrophobicContact CD1-CH2 4.45Å; L23-W170 HydrophobicContact CD1-CZ2 4.27Å; L23-W170 HydrophobicContact CD2-CH2 4.29Å; L23-W170 HydrophobicContact CD2-CZ2 4.25Å |
| 24 | L | 94.7 | Very high | 86.3 | Confident | 36 Ų | 36 | 69.3 Ų | 69.3 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.5 | -176.6 | 61.7 | 0 | 0 | 0 | 111.5 | L19 K20 E21 L27 K28 H52 | L19-L24 HydrophobicContact CB-CB 4.41Å; K20-L24 PolarHBondContact O-N 2.96Å; E21-L24 PolarHBondContact O-N 3.06Å; L24-L27 PolarHBondContact O-N 2.93Å; L24-K28 HydrophobicContact CG-CD 4.36Å; L24-K28 WeakPolarHBondContact O-CG 3.32Å; L24-K28 PolarHBondContact O-N 3.4Å; L24-H52 VanDerWaalsContact CD1-CE1 3.47Å; L24-H52 WeakPolarHBondContact CD1-CE1 3.4Å |
| 25 | Y | 95.3 | Very high | 88.3 | Confident | 124 Ų | 124 | 65.3 Ų | 65.3 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 174.9 | 178.9 | -106.9 | 0 | 0 | 0 | 111.2 | E21 L23 L27 K28 Q29 R444 | E21-Y25 WeakPolarHBondContact O-CB 3.31Å; E21-Y25 PolarHBondContact O-N 3.03Å; L23-Y25 VanDerWaalsContact C-N 3.3Å; L23-Y25 PolarHBondContact O-N 2.77Å; Y25-L27 VanDerWaalsContact C-N 3.29Å; Y25-L27 PolarHBondContact O-N 3.25Å; Y25-K28 PolarHBondContact O-N 3.4Å; Y25-Q29 HydrophobicContact CE1-CG 4.16Å; Y25-Q29 HydrophobicContact CE2-CG 4.32Å; Y25-Q29 WeakPolarHBondContact O-CG 3.2Å; Y25-Q29 PolarHBondContact O-N 3.08Å; Y25-R444 VanDerWaalsContact CD1-NH1 3.28Å; Y25-R444 VanDerWaalsContact CE1-CZ 3.41Å |
| 26 | N | 95.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 177.7 | -66.5 | -7.9 | 0 | 0 | 0 | 112.7 | D22 L23 V159 G160 R444 | D22-N26 PolarHBondContact O-N 2.88Å; D22-N26 PolarHBondContact O-ND2 2.91Å; D22-N26 PolarHBondContact O-OD1 3.02Å; L23-N26 PolarHBondContact O-N 2.97Å; N26-V159 HydrophobicContact CB-CB 4.48Å; N26-V159 HydrophobicContact CB-CG1 3.61Å; N26-V159 HydrophobicContact CB-CG2 4Å; N26-G160 PolarHBondContact ND2-O 3.25Å; N26-R444 VanDerWaalsContact OD1-CZ 3.25Å; N26-R444 PolarHBondContact OD1-NH1 3.19Å; N26-R444 PolarHBondContact OD1-NH2 3.19Å |
| 27 | L | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 177.8 | -69.9 | 163.9 | 0 | 0 | 0 | 112.3 | I4 C5 L19 L23 L24 Y25 Q29 R30 G31 H52 S158 V159 | I4-L27 WeakPolarHBondContact O-CD2 3.45Å; C5-L27 HydrophobicContact CB-CD1 3.54Å; C5-L27 HydrophobicContact CB-CD2 4.14Å; L19-L27 HydrophobicContact CD1-CD1 3.85Å; L23-L27 HydrophobicContact CD1-CD1 4.32Å; L23-L27 HydrophobicContact CD1-CG 4.46Å; L23-L27 HydrophobicContact CG-CD1 4.03Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.43Å; L23-L27 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 2.93Å; Y25-L27 VanDerWaalsContact C-N 3.29Å; Y25-L27 PolarHBondContact O-N 3.25Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.29Å; L27-R30 WeakPolarHBondContact O-CB 3.43Å; L27-R30 PolarHBondContact O-N 2.83Å; L27-G31 PolarHBondContact O-N 2.92Å; L27-H52 WeakPolarHBondContact CB-CD2 3.49Å; L27-H52 WeakPolarHBondContact O-CB 3.38Å; L27-S158 WeakPolarHBondContact CD2-OG 3.17Å; L27-V159 HydrophobicContact CD2-CG1 3.94Å; L27-V159 HydrophobicContact CG-CG1 4.14Å |
| 28 | K | 97.3 | Very high | 93.2 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 177.4 | -76.8 | 178.1 | 178.1 | 179.4 | 0 | 112.6 | L24 Y25 R30 G31 H52 | L24-K28 HydrophobicContact CG-CD 4.36Å; L24-K28 WeakPolarHBondContact O-CG 3.32Å; L24-K28 PolarHBondContact O-N 3.4Å; Y25-K28 PolarHBondContact O-N 3.4Å; K28-R30 PolarHBondContact O-N 2.81Å; K28-G31 CarbonylContact O-C 3.49Å; K28-G31 PolarHBondContact O-N 3.17Å; K28-G31 VanDerWaalsContact O-N 3.12Å; K28-H52 WeakPolarHBondContact CG-ND1 3.29Å |
| 29 | Q | 96.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -34.5 | 175.8 | -72.8 | -57.7 | 109 | 0 | 0 | 112.7 | Y25 L27 G31 G542 D543 G545 | Y25-Q29 HydrophobicContact CE1-CG 4.16Å; Y25-Q29 HydrophobicContact CE2-CG 4.32Å; Y25-Q29 WeakPolarHBondContact O-CG 3.2Å; Y25-Q29 PolarHBondContact O-N 3.08Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.29Å; Q29-G31 VanDerWaalsContact C-N 3.35Å; Q29-G542 CarbonylContact C-O 3.53Å; Q29-D543 WeakPolarHBondContact CB-OD1 2.67Å; Q29-D543 PolarHBondContact NE2-O 3.26Å; Q29-D543 VanDerWaalsContact NE2-O 3.15Å; Q29-G545 WeakPolarHBondContact O-CA 3.48Å; Q29-G545 PolarHBondContact O-N 3.3Å; Q29-G545 VanDerWaalsContact O-N 3.13Å |
| 30 | R | 97.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.9 | -27.6 | 175.6 | -62.9 | 175.6 | 63.8 | 76.9 | -3.7 | 113.8 | L27 K28 L54 N76 S158 D538 G542 | L27-R30 WeakPolarHBondContact O-CB 3.43Å; L27-R30 PolarHBondContact O-N 2.83Å; K28-R30 PolarHBondContact O-N 2.81Å; R30-L54 WeakPolarHBondContact O-CB 3.47Å; R30-N76 PolarHBondContact NH2-ND2 3.38Å; R30-S158 PolarHBondContact NE-OG 3.46Å; R30-D538 IonicContact CZ-OD2 3.13Å; R30-D538 PolarHBondContact NH1-O 2.72Å; R30-D538 IonicContact NH1-OD2 2.67Å; R30-D538 IonicContact NH2-OD1 2.98Å; R30-D538 IonicContact NH2-OD2 2.81Å; R30-D538 PolarHBondContact NH2-OD2 3.32Å; R30-G542 VanDerWaalsContact CA-O 3.24Å; R30-G542 WeakPolarHBondContact CA-O 3.36Å |
| 31 | G | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -141.9 | 76.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L27 K28 Q29 N33 H52 V53 | L27-G31 PolarHBondContact O-N 2.92Å; K28-G31 CarbonylContact O-C 3.49Å; K28-G31 PolarHBondContact O-N 3.17Å; K28-G31 VanDerWaalsContact O-N 3.12Å; Q29-G31 VanDerWaalsContact C-N 3.35Å; G31-N33 VanDerWaalsContact C-N 3.31Å; G31-N33 PolarHBondContact O-N 3.27Å; G31-H52 WeakPolarHBondContact CA-O 3.39Å; G31-V53 CarbonylContact C-O 3.59Å; G31-V53 WeakPolarHBondContact CA-O 3.38Å; G31-V53 PolarHBondContact O-N 2.76Å | ||
| 32 | P | 95.9 | Very high | 95.2 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.9 | -172.7 | 30.8 | -36.5 | 0 | 0 | 0 | 114.4 | L54 | P32-L54 HydrophobicContact CG-CD1 4.32Š|
| 33 | N | 96.5 | Very high | 95 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -28.6 | -172.8 | -59.1 | 130.4 | 0 | 0 | 0 | 113.8 | G31 V53 H55 L60 K488 | G31-N33 VanDerWaalsContact C-N 3.31Å; G31-N33 PolarHBondContact O-N 3.27Å; N33-V53 WeakPolarHBondContact CA-O 3.44Å; N33-V53 VanDerWaalsContact CB-O 3.28Å; N33-V53 WeakPolarHBondContact CB-O 3.49Å; N33-V53 PolarHBondContact N-O 2.71Å; N33-H55 HydrophobicContact CB-CB 4.22Å; N33-H55 PolarHBondContact OD1-N 3.25Å; N33-L60 HydrophobicContact CB-CD1 4.21Å; N33-K488 PolarHBondContact OD1-NZ 2.65Å |
| 34 | S | 96.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151.2 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | H52 V53 T62 | S34-H52 CarbonylContact O-C 3.54Å; S34-H52 VanDerWaalsContact O-CA 3.24Å; S34-H52 WeakPolarHBondContact O-CA 3.18Å; S34-V53 PolarHBondContact N-O 3.45Å; S34-V53 PolarHBondContact O-N 3.39Å; S34-T62 VanDerWaalsContact OG-CG2 3.31Å; S34-T62 WeakPolarHBondContact OG-CG2 3.43Å |
| 35 | S | 96.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 123.8 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | G51 H52 | S35-G51 WeakPolarHBondContact CA-O 3.28Å; S35-H52 PolarHBondContact OG-CE1 2.9Å; S35-H52 PolarHBondContact OG-ND1 3.28Å |
| 36 | K | 96.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145.1 | 175.9 | 175.5 | -171.9 | 176.8 | -163.9 | 0 | 110 | G51 Q63 P64 | K36-G51 PolarHBondContact N-O 3.49Å; K36-G51 PolarHBondContact O-N 2.94Å; K36-Q63 WeakPolarHBondContact CB-O 3.21Å; K36-P64 PolarHBondContact NZ-O 3.34Å; K36-P64 WeakPolarHBondContact O-CD 3.33Å |
| 37 | Q | 96.4 | Very high | 94.3 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.2 | 172.4 | -76.7 | 173.8 | -33.5 | 0 | 0 | 109.6 | L48 F49 S50 | Q37-L48 HydrophobicContact CB-CD1 4.21Å; Q37-F49 CarbonylContact C-O 3.5Å; Q37-F49 VanDerWaalsContact CA-O 3.22Å; Q37-F49 WeakPolarHBondContact CA-O 3.35Å; Q37-S50 WeakPolarHBondContact CG-OG 3.31Å; Q37-S50 PolarHBondContact NE2-OG 2.97Å |
| 38 | L | 96.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127.4 | 178.9 | -179.2 | 65.5 | 0 | 0 | 0 | 109.1 | F49 P64 E66 V72 | L38-F49 HydrophobicContact CB-CB 4.37Å; L38-F49 PolarHBondContact N-O 3.22Å; L38-F49 PolarHBondContact O-N 3.46Å; L38-P64 HydrophobicContact CB-CB 4.44Å; L38-P64 HydrophobicContact CB-CG 4Å; L38-P64 HydrophobicContact CD2-CB 4.42Å; L38-E66 WeakPolarHBondContact CD1-OE2 3.24Å; L38-E66 HydrophobicContact CD2-CB 4.19Å; L38-E66 HydrophobicContact CD2-CG 4.5Å; L38-E66 VanDerWaalsContact CD2-OE2 3.31Å; L38-E66 WeakPolarHBondContact CD2-OE2 3.25Å; L38-V72 HydrophobicContact CD2-CB 4.37Å; L38-V72 HydrophobicContact CD2-CG1 3.85Å; L38-V72 HydrophobicContact CD2-CG2 3.55Å |
| 39 | F | 95.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.7 | 177.7 | -180 | -103 | 0 | 0 | 0 | 110.5 | F15 Q46 C47 | F15-F39 AromaticContact CD1-CE2 3.88Å; F15-F39 HydrophobicContact CD1-CE2 3.88Å; F15-F39 AromaticContact CE1-CD2 3.71Å; F15-F39 HydrophobicContact CE1-CD2 3.71Å; F15-F39 AromaticContact CE1-CE2 3.25Å; F15-F39 HydrophobicContact CE1-CE2 3.25Å; F15-F39 HydrophobicContact CE1-CZ 4.32Å; F15-F39 HydrophobicContact CE2-CE2 4.5Å; F15-F39 HydrophobicContact CZ-CD2 4.01Å; F15-F39 AromaticContact CZ-CE2 3.61Å; F15-F39 HydrophobicContact CZ-CE2 3.61Å; F39-Q46 HydrophobicContact CE2-CB 3.94Å; F39-Q46 HydrophobicContact CE2-CG 4.27Å; F39-Q46 HydrophobicContact CZ-CB 4.06Å; F39-Q46 HydrophobicContact CZ-CG 3.88Å; F39-C47 WeakPolarHBondContact CA-O 3.41Å; F39-C47 WeakPolarHBondContact CD2-O 3.35Å |
| 40 | K | 94.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 19% | 0.191 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.9 | 171.1 | -67 | -64.1 | -172.2 | -179.6 | 0 | 109.1 | C47 F49 E66 V72 Y124 | K40-C47 HydrophobicContact CB-CB 4.29Å; K40-C47 PolarHBondContact N-O 3.5Å; K40-C47 PolarHBondContact O-N 2.96Å; K40-F49 HydrophobicContact CB-CE2 4.08Å; K40-F49 HydrophobicContact CG-CD2 4.28Å; K40-F49 HydrophobicContact CG-CE2 3.82Å; K40-E66 WeakPolarHBondContact CE-OE1 3.41Å; K40-E66 IonicContact NZ-OE1 2.78Å; K40-E66 PolarHBondContact NZ-OE1 3.03Å; K40-E66 IonicContact NZ-OE2 3.24Å; K40-V72 HydrophobicContact CG-CG2 4.19Å; K40-Y124 HydrophobicContact CG-CE1 4.42Å |
| 41 | S | 90.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 43.4 Ų | 43.4 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.9 | 177 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 42 | D | 89.4 | Confident | 94.5 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | trans | -113.8 | 171.5 | 162.1 | -178.1 | -104 | 0 | 0 | 0 | 108.7 | N44 Y45 H129 | D42-N44 PolarHBondContact O-N 2.82Å; D42-N44 PolarHBondContact OD1-N 2.99Å; D42-N44 PolarHBondContact OD1-ND2 3.38Å; D42-N44 VanDerWaalsContact OD1-ND2 3.16Å; D42-Y45 HydrophobicContact CB-CD1 3.87Å; D42-Y45 HydrophobicContact CB-CD2 4.41Å; D42-Y45 HydrophobicContact CB-CE1 3.57Å; D42-Y45 HydrophobicContact CB-CE2 4.13Å; D42-Y45 HydrophobicContact CB-CG 4.28Å; D42-Y45 PolarHBondContact N-O 3.32Å; D42-Y45 VanDerWaalsContact O-O 3.09Å; D42-H129 IonicContact OD2-CE1 3.55Å; D42-H129 PolarHBondContact OD2-CE1 2.96Å | ||
| 43 | V | 85.3 | Confident | 94.6 | Very high | 135 Ų | 135 | 39.9 Ų | 39.9 | 82% | 0.818 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -55 | -34 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 44 | N | 85.6 | Confident | 94.6 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -107.9 | -14 | -169.5 | -53 | -71.3 | 0 | 0 | 0 | 114.7 | D42 A187 | D42-N44 PolarHBondContact O-N 2.82Å; D42-N44 PolarHBondContact OD1-N 2.99Å; D42-N44 PolarHBondContact OD1-ND2 3.38Å; D42-N44 VanDerWaalsContact OD1-ND2 3.16Å; N44-A187 HydrophobicContact CB-CB 3.53Å; N44-A187 WeakPolarHBondContact O-CB 3.45Å |
| 45 | Y | 91.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -153.7 | 163.3 | -179 | 68.7 | -96.7 | 0 | 0 | 0 | 112.2 | N9 D42 C47 Y124 H129 L183 | N9-Y45 CarbonylContact O-C 3.58Å; N9-Y45 VanDerWaalsContact O-CA 3.25Å; N9-Y45 WeakPolarHBondContact O-CA 3.27Å; N9-Y45 WeakPolarHBondContact O-CB 3.42Å; D42-Y45 HydrophobicContact CB-CD1 3.87Å; D42-Y45 HydrophobicContact CB-CD2 4.41Å; D42-Y45 HydrophobicContact CB-CE1 3.57Å; D42-Y45 HydrophobicContact CB-CE2 4.13Å; D42-Y45 HydrophobicContact CB-CG 4.28Å; D42-Y45 PolarHBondContact N-O 3.32Å; D42-Y45 VanDerWaalsContact O-O 3.09Å; Y45-C47 VanDerWaalsContact CD2-SG 3.56Å; Y45-C47 VanDerWaalsContact CE2-SG 3.56Å; Y45-Y124 HydrophobicContact CE2-CE2 4.38Å; Y45-Y124 WeakPolarHBondContact OH-CE2 3.41Å; Y45-Y124 PolarHBondContact OH-OH 2.91Å; Y45-H129 HydrophobicContact CE1-CB 4.25Å; Y45-H129 AromaticContact CE1-ND1 3.69Å; Y45-H129 AromaticContact CZ-ND1 3.63Å; Y45-H129 WeakPolarHBondContact OH-CB 3.33Å; Y45-H129 PolarHBondContact OH-ND1 3.15Å; Y45-L183 HydrophobicContact CD1-CB 3.81Å; Y45-L183 HydrophobicContact CD2-CB 4.29Å; Y45-L183 HydrophobicContact CD2-CD1 4.03Å; Y45-L183 HydrophobicContact CE1-CB 3.58Å; Y45-L183 HydrophobicContact CE2-CB 4.11Å; Y45-L183 HydrophobicContact CE2-CD1 3.58Å; Y45-L183 HydrophobicContact CG-CB 4.16Å | ||
| 46 | Q | 92.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.2 | 176.4 | -68.7 | 171.3 | -33.8 | 0 | 0 | 109.8 | V8 N9 F15 F39 | V8-Q46 CarbonylContact C-O 3.57Å; V8-Q46 WeakPolarHBondContact CA-O 3.4Å; N9-Q46 PolarHBondContact N-O 3.43Å; N9-Q46 PolarHBondContact O-N 3.33Å; F15-Q46 HydrophobicContact CD2-CB 3.82Å; F15-Q46 HydrophobicContact CE2-CB 3.76Å; F15-Q46 HydrophobicContact CG-CB 4.31Å; F15-Q46 HydrophobicContact CZ-CB 4.21Å; F39-Q46 HydrophobicContact CE2-CB 3.94Å; F39-Q46 HydrophobicContact CE2-CG 4.27Å; F39-Q46 HydrophobicContact CZ-CB 4.06Å; F39-Q46 HydrophobicContact CZ-CG 3.88Å |
| 47 | C | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.5 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | S7 F39 K40 Y45 F49 | S7-C47 CarbonylContact O-C 3.58Å; S7-C47 VanDerWaalsContact O-CA 3.28Å; S7-C47 WeakPolarHBondContact O-CA 3.24Å; F39-C47 WeakPolarHBondContact CA-O 3.41Å; F39-C47 WeakPolarHBondContact CD2-O 3.35Å; K40-C47 HydrophobicContact CB-CB 4.29Å; K40-C47 PolarHBondContact N-O 3.5Å; K40-C47 PolarHBondContact O-N 2.96Å; Y45-C47 VanDerWaalsContact CD2-SG 3.56Å; Y45-C47 VanDerWaalsContact CE2-SG 3.56Å; C47-F49 HydrophobicContact CB-CD2 4.21Å; C47-F49 HydrophobicContact CB-CE2 3.47Å; C47-F49 VanDerWaalsContact CB-CE2 3.47Å; C47-F49 HydrophobicContact CB-CZ 3.81Å |
| 48 | L | 96.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.9 | 166.9 | 176.9 | 67.4 | 0 | 0 | 0 | 109 | C6 S7 F15 Q17 L19 Q37 | C6-L48 CarbonylContact C-O 3.48Å; C6-L48 WeakPolarHBondContact CA-O 3.46Å; S7-L48 PolarHBondContact N-O 3.21Å; S7-L48 PolarHBondContact O-N 2.96Å; F15-L48 HydrophobicContact CZ-CB 3.93Å; Q17-L48 VanDerWaalsContact O-CD2 3.29Å; Q17-L48 WeakPolarHBondContact O-CD2 3.22Å; L19-L48 HydrophobicContact CD2-CD2 3.89Å; L19-L48 HydrophobicContact CG-CD2 3.8Å; Q37-L48 HydrophobicContact CB-CD1 4.21Å |
| 49 | F | 97.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.5 | 174.5 | -58.9 | -87.7 | 0 | 0 | 0 | 109.2 | C5 C6 Q37 L38 K40 C47 P64 V72 L74 I122 Y124 L131 | C5-F49 CarbonylContact O-C 3.58Å; C5-F49 WeakPolarHBondContact O-CA 3.44Å; C6-F49 HydrophobicContact CB-CD1 3.94Å; C6-F49 HydrophobicContact CB-CE1 4.11Å; C6-F49 WeakPolarHBondContact SG-CE1 3.12Å; Q37-F49 CarbonylContact C-O 3.5Å; Q37-F49 VanDerWaalsContact CA-O 3.22Å; Q37-F49 WeakPolarHBondContact CA-O 3.35Å; L38-F49 HydrophobicContact CB-CB 4.37Å; L38-F49 PolarHBondContact N-O 3.22Å; L38-F49 PolarHBondContact O-N 3.46Å; K40-F49 HydrophobicContact CB-CE2 4.08Å; K40-F49 HydrophobicContact CG-CD2 4.28Å; K40-F49 HydrophobicContact CG-CE2 3.82Å; C47-F49 HydrophobicContact CB-CD2 4.21Å; C47-F49 HydrophobicContact CB-CE2 3.47Å; C47-F49 VanDerWaalsContact CB-CE2 3.47Å; C47-F49 HydrophobicContact CB-CZ 3.81Å; F49-P64 HydrophobicContact CB-CB 4.23Å; F49-P64 HydrophobicContact CB-CG 3.53Å; F49-V72 HydrophobicContact CB-CG1 4.19Å; F49-V72 HydrophobicContact CD1-CG1 3.95Å; F49-V72 HydrophobicContact CD2-CB 4.47Å; F49-V72 HydrophobicContact CD2-CG1 4.03Å; F49-V72 HydrophobicContact CD2-CG2 4.48Å; F49-V72 HydrophobicContact CE1-CB 4.48Å; F49-V72 HydrophobicContact CE1-CG1 4.32Å; F49-V72 HydrophobicContact CE2-CB 4.38Å; F49-V72 HydrophobicContact CE2-CG1 4.41Å; F49-V72 HydrophobicContact CE2-CG2 4.34Å; F49-V72 HydrophobicContact CG-CG1 3.79Å; F49-V72 HydrophobicContact CZ-CB 4.39Å; F49-L74 HydrophobicContact CB-CD1 4.07Å; F49-L74 HydrophobicContact CD1-CD1 3.95Å; F49-I122 HydrophobicContact CE1-CG2 4.47Å; F49-Y124 HydrophobicContact CZ-CD1 4.24Å; F49-Y124 HydrophobicContact CZ-CD2 4.41Å; F49-Y124 AromaticContact CZ-CG 3.82Å; F49-Y124 HydrophobicContact CZ-CG 3.82Å; F49-L131 HydrophobicContact CE1-CD1 4.21Å |
| 50 | S | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.4 | 180 | -158.9 | 0 | 0 | 0 | 0 | 109.4 | I4 C5 Q37 H52 | I4-S50 CarbonylContact C-O 3.45Å; C5-S50 PolarHBondContact N-O 2.82Å; C5-S50 PolarHBondContact O-N 3.3Å; Q37-S50 WeakPolarHBondContact CG-OG 3.31Å; Q37-S50 PolarHBondContact NE2-OG 2.97Å; S50-H52 PolarHBondContact OG-NE2 3.38Å |
| 51 | G | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G3 S35 K36 Q63 | G3-G51 CarbonylContact O-C 3.56Å; S35-G51 WeakPolarHBondContact CA-O 3.28Å; K36-G51 PolarHBondContact N-O 3.49Å; K36-G51 PolarHBondContact O-N 2.94Å; G51-Q63 CarbonylContact C-O 3.44Å; G51-Q63 VanDerWaalsContact CA-O 3.29Å; G51-Q63 WeakPolarHBondContact CA-O 3.09Å |
| 52 | H | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 117 | -177.6 | -54 | -86.7 | 0 | 0 | 0 | 108.4 | C2 G3 L24 L27 K28 G31 S34 S35 S50 | C2-H52 CarbonylContact C-O 3.58Å; C2-H52 WeakPolarHBondContact CA-O 3.5Å; C2-H52 WeakPolarHBondContact CB-O 3.41Å; G3-H52 PolarHBondContact N-O 3.29Å; G3-H52 PolarHBondContact O-CD2 2.77Å; G3-H52 PolarHBondContact O-N 2.94Å; L24-H52 VanDerWaalsContact CD1-CE1 3.47Å; L24-H52 WeakPolarHBondContact CD1-CE1 3.4Å; L27-H52 WeakPolarHBondContact CB-CD2 3.49Å; L27-H52 WeakPolarHBondContact O-CB 3.38Å; K28-H52 WeakPolarHBondContact CG-ND1 3.29Å; G31-H52 WeakPolarHBondContact CA-O 3.39Å; S34-H52 CarbonylContact O-C 3.54Å; S34-H52 VanDerWaalsContact O-CA 3.24Å; S34-H52 WeakPolarHBondContact O-CA 3.18Å; S35-H52 PolarHBondContact OG-CE1 2.9Å; S35-H52 PolarHBondContact OG-ND1 3.28Å; S50-H52 PolarHBondContact OG-NE2 3.38Å |
| 53 | V | 97.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | -163.2 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | G31 N33 S34 L60 T61 Q63 | G31-V53 CarbonylContact C-O 3.59Å; G31-V53 WeakPolarHBondContact CA-O 3.38Å; G31-V53 PolarHBondContact O-N 2.76Å; N33-V53 WeakPolarHBondContact CA-O 3.44Å; N33-V53 VanDerWaalsContact CB-O 3.28Å; N33-V53 WeakPolarHBondContact CB-O 3.49Å; N33-V53 PolarHBondContact N-O 2.71Å; S34-V53 PolarHBondContact N-O 3.45Å; S34-V53 PolarHBondContact O-N 3.39Å; V53-L60 HydrophobicContact CB-CD1 4.45Å; V53-L60 HydrophobicContact CG1-CD1 3.9Å; V53-T61 WeakPolarHBondContact CG2-O 3.24Å; V53-Q63 HydrophobicContact CG2-CB 4.17Å; V53-Q63 HydrophobicContact CG2-CG 4.05Å |
| 54 | L | 96.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | trans | -97.8 | 113.7 | 158.1 | 176.7 | 69.3 | 0 | 0 | 0 | 107.3 | M1 R30 P32 L56 K488 G545 E547 | M1-L54 HydrophobicContact CB-CD2 4.29Å; M1-L54 VanDerWaalsContact O-CB 3.31Å; M1-L54 WeakPolarHBondContact O-CB 3.22Å; M1-L54 PolarHBondContact O-N 3.34Å; R30-L54 WeakPolarHBondContact O-CB 3.47Å; P32-L54 HydrophobicContact CG-CD1 4.32Å; L54-L56 HydrophobicContact CD2-CD1 4.18Å; L54-L56 HydrophobicContact CD2-CD2 4.19Å; L54-L56 HydrophobicContact CD2-CG 4.33Å; L54-L56 HydrophobicContact CG-CD1 4.44Å; L54-L56 HydrophobicContact CG-CD2 4.13Å; L54-L56 HydrophobicContact CG-CG 4.13Å; L54-L56 PolarHBondContact O-N 2.94Å; L54-K488 HydrophobicContact CD1-CD 3.94Å; L54-K488 HydrophobicContact CD1-CG 4.3Å; L54-G545 WeakPolarHBondContact CD1-O 3.45Å; L54-G545 VanDerWaalsContact CD2-O 3.31Å; L54-G545 WeakPolarHBondContact CD2-O 2.98Å; L54-E547 HydrophobicContact CD2-CB 4.29Å | ||
| 55 | H | 94.4 | Very high | 95 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 17% | 0.171 | 12% | 0.118 | C | C | . | . | trans | -81.1 | 118.9 | -175.4 | 177.9 | -127.9 | 0 | 0 | 0 | 111.5 | N33 R57 G58 L60 K488 | N33-H55 HydrophobicContact CB-CB 4.22Å; N33-H55 PolarHBondContact OD1-N 3.25Å; H55-R57 PolarHBondContact CD2-O 3.29Å; H55-R57 PolarHBondContact NE2-O 3.48Å; H55-G58 PolarHBondContact CE1-O 3.41Å; H55-G58 PolarHBondContact NE2-O 3.32Å; H55-L60 HydrophobicContact CB-CD1 3.8Å; H55-K488 PolarHBondContact O-NZ 3.03Å | ||
| 56 | L | 91.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | trans | -131.9 | -12.5 | -173.8 | -63.4 | 176.8 | 0 | 0 | 0 | 114.6 | M1 L54 E78 C300 P302 K488 V489 E547 | M1-L56 HydrophobicContact CB-CD1 4.5Å; L54-L56 HydrophobicContact CD2-CD1 4.18Å; L54-L56 HydrophobicContact CD2-CD2 4.19Å; L54-L56 HydrophobicContact CD2-CG 4.33Å; L54-L56 HydrophobicContact CG-CD1 4.44Å; L54-L56 HydrophobicContact CG-CD2 4.13Å; L54-L56 HydrophobicContact CG-CG 4.13Å; L54-L56 PolarHBondContact O-N 2.94Å; L56-E78 WeakPolarHBondContact CB-OE1 3.28Å; L56-C300 VanDerWaalsContact O-O 3.09Å; L56-P302 VanDerWaalsContact O-CD 3.26Å; L56-P302 WeakPolarHBondContact O-CD 3.06Å; L56-K488 HydrophobicContact CD2-CB 3.74Å; L56-K488 HydrophobicContact CD2-CD 4.18Å; L56-V489 HydrophobicContact CD2-CG2 4.15Å; L56-E547 HydrophobicContact CD1-CB 3.59Å; L56-E547 HydrophobicContact CD1-CG 4.02Å; L56-E547 WeakPolarHBondContact CD1-OE1 3.49Å; L56-E547 WeakPolarHBondContact CD1-OE2 3.13Å | ||
| 57 | R | 90.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -160.4 | 156.9 | 175.9 | 66.3 | 176.6 | -64.8 | 164.5 | 6.6 | 112.5 | H55 E78 I79 V85 E86 E89 N90 | H55-R57 PolarHBondContact CD2-O 3.29Å; H55-R57 PolarHBondContact NE2-O 3.48Å; R57-E78 VanDerWaalsContact CD-OE2 3.32Å; R57-E78 WeakPolarHBondContact CD-OE2 3.45Å; R57-I79 PolarHBondContact NH1-O 3.29Å; R57-V85 PolarHBondContact NH2-O 3.23Å; R57-E86 PolarHBondContact NH2-O 2.79Å; R57-E89 PolarHBondContact NE-O 3.04Å; R57-N90 PolarHBondContact O-ND2 3.35Å |
| 58 | G | 90.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 52.8 | -153 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H55 E88 | H55-G58 PolarHBondContact CE1-O 3.41Å; H55-G58 PolarHBondContact NE2-O 3.32Å; G58-E88 WeakPolarHBondContact CA-O 3.28Å |
| 59 | V | 90.9 | Very high | 95.5 | Very high | 114 Ų | 114 | 40 Ų | 40 | 69% | 0.691 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -74.4 | 141.3 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | T61 N90 | V59-T61 PolarHBondContact O-N 3.05Å; V59-T61 PolarHBondContact O-OG1 2.91Å; V59-N90 PolarHBondContact O-ND2 2.88Å |
| 60 | L | 93.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 40.4 Ų | 40.4 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | trans | -55.3 | 108.4 | 173.4 | 172.3 | 65.5 | 0 | 0 | 0 | 109.7 | N33 V53 H55 | N33-L60 HydrophobicContact CB-CD1 4.21Å; V53-L60 HydrophobicContact CB-CD1 4.45Å; V53-L60 HydrophobicContact CG1-CD1 3.9Å; H55-L60 HydrophobicContact CB-CD1 3.8Å | ||
| 61 | T | 94.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -105.4 | 111.9 | -177.9 | -60 | 0 | 0 | 0 | 0 | 109 | V53 V59 V65 N90 | V53-T61 WeakPolarHBondContact CG2-O 3.24Å; V59-T61 PolarHBondContact O-N 3.05Å; V59-T61 PolarHBondContact O-OG1 2.91Å; T61-V65 HydrophobicContact CG2-CG1 3.96Å; T61-N90 WeakPolarHBondContact OG1-CB 3.31Å; T61-N90 PolarHBondContact OG1-OD1 3.44Å | ||
| 62 | T | 96 | Very high | 95.4 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | trans | -70.7 | 138.5 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | S34 V65 | S34-T62 VanDerWaalsContact OG-CG2 3.31Å; S34-T62 WeakPolarHBondContact OG-CG2 3.43Å; T62-V65 WeakPolarHBondContact O-CG1 3.39Å | ||
| 63 | Q | 96.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -120.3 | 147.7 | 176.9 | -59.4 | -174.4 | 35.3 | 0 | 0 | 110.7 | C2 K36 G51 V53 L74 W75 T92 | C2-Q63 PolarHBondContact SG-NE2 2.75Å; C2-Q63 VanDerWaalsContact SG-NE2 3.41Å; K36-Q63 WeakPolarHBondContact CB-O 3.21Å; G51-Q63 CarbonylContact C-O 3.44Å; G51-Q63 VanDerWaalsContact CA-O 3.29Å; G51-Q63 WeakPolarHBondContact CA-O 3.09Å; V53-Q63 HydrophobicContact CG2-CB 4.17Å; V53-Q63 HydrophobicContact CG2-CG 4.05Å; Q63-L74 HydrophobicContact CB-CD2 4.14Å; Q63-W75 PolarHBondContact NE2-O 2.85Å; Q63-W75 PolarHBondContact OE1-O 3.38Å; Q63-W75 VanDerWaalsContact OE1-O 3.11Å; Q63-T92 HydrophobicContact CG-CG2 4.1Å; Q63-T92 PolarHBondContact NE2-OG1 3.33Å |
| 64 | P | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | cis | -68.7 | 143.3 | 4.8 | -13.5 | 25.8 | 0 | 0 | 0 | 113.3 | K36 L38 F49 V72 F73 L74 | K36-P64 PolarHBondContact NZ-O 3.34Å; K36-P64 WeakPolarHBondContact O-CD 3.33Å; L38-P64 HydrophobicContact CB-CB 4.44Å; L38-P64 HydrophobicContact CB-CG 4Å; L38-P64 HydrophobicContact CD2-CB 4.42Å; F49-P64 HydrophobicContact CB-CB 4.23Å; F49-P64 HydrophobicContact CB-CG 3.53Å; P64-V72 HydrophobicContact CB-CG1 3.56Å; P64-V72 HydrophobicContact CG-CG1 4.46Å; P64-F73 WeakPolarHBondContact CA-O 3.49Å; P64-L74 HydrophobicContact CB-CD2 4.12Å; P64-L74 HydrophobicContact CB-CG 4.12Å; P64-L74 HydrophobicContact CG-CD2 3.92Å; P64-L74 HydrophobicContact CG-CG 4.21Å |
| 65 | V | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.3 | 168.1 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | T61 T62 V72 F73 T92 F96 | T61-V65 HydrophobicContact CG2-CG1 3.96Å; T62-V65 WeakPolarHBondContact O-CG1 3.39Å; V65-V72 WeakPolarHBondContact O-CA 3.41Å; V65-F73 HydrophobicContact CG2-CB 3.73Å; V65-F73 HydrophobicContact CG2-CD1 4.02Å; V65-F73 HydrophobicContact CG2-CG 4.38Å; V65-F73 PolarHBondContact N-O 3.16Å; V65-F73 PolarHBondContact O-N 3.02Å; V65-T92 HydrophobicContact CG1-CG2 4.36Å; V65-T92 HydrophobicContact CG2-CG2 4.41Å; V65-F96 HydrophobicContact CB-CD1 4.12Å; V65-F96 HydrophobicContact CB-CE1 4.22Å; V65-F96 HydrophobicContact CG2-CB 4.13Å; V65-F96 HydrophobicContact CG2-CD1 3.49Å; V65-F96 VanDerWaalsContact CG2-CD1 3.49Å; V65-F96 HydrophobicContact CG2-CD2 4.19Å; V65-F96 HydrophobicContact CG2-CE1 3.83Å; V65-F96 HydrophobicContact CG2-CE2 4.47Å; V65-F96 HydrophobicContact CG2-CG 3.68Å; V65-F96 HydrophobicContact CG2-CZ 4.31Å |
| 66 | E | 97.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.6 | -176.8 | -178.6 | -179.1 | 175 | 0 | 0 | 109.7 | L38 K40 N71 V72 | L38-E66 WeakPolarHBondContact CD1-OE2 3.24Å; L38-E66 HydrophobicContact CD2-CB 4.19Å; L38-E66 HydrophobicContact CD2-CG 4.5Å; L38-E66 VanDerWaalsContact CD2-OE2 3.31Å; L38-E66 WeakPolarHBondContact CD2-OE2 3.25Å; K40-E66 WeakPolarHBondContact CE-OE1 3.41Å; K40-E66 IonicContact NZ-OE1 2.78Å; K40-E66 PolarHBondContact NZ-OE1 3.03Å; K40-E66 IonicContact NZ-OE2 3.24Å; E66-N71 VanDerWaalsContact CA-O 3.24Å; E66-N71 WeakPolarHBondContact CA-O 3.46Å; E66-V72 HydrophobicContact CG-CG2 4.45Å |
| 67 | D | 96.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | trans | -98.8 | 170.9 | 173.7 | 75.4 | 9.4 | 0 | 0 | 0 | 112.3 | R69 G70 N71 F96 S100 | D67-R69 PolarHBondContact O-N 2.85Å; D67-R69 VanDerWaalsContact O-N 3.08Å; D67-R69 WeakPolarHBondContact OD1-CA 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.32Å; D67-R69 PolarHBondContact OD1-N 2.76Å; D67-R69 IonicContact OD2-CZ 3.15Å; D67-R69 IonicContact OD2-NE 2.59Å; D67-R69 PolarHBondContact OD2-NE 3.31Å; D67-R69 IonicContact OD2-NH2 2.82Å; D67-R69 PolarHBondContact OD2-NH2 3.08Å; D67-G70 PolarHBondContact O-N 3.48Å; D67-G70 PolarHBondContact OD1-N 2.96Å; D67-N71 PolarHBondContact N-O 3.22Å; D67-N71 VanDerWaalsContact N-O 3.13Å; D67-N71 WeakPolarHBondContact OD1-CB 3.3Å; D67-N71 PolarHBondContact OD1-N 3.07Å; D67-N71 PolarHBondContact OD1-ND2 2.97Å; D67-N71 PolarHBondContact OD2-ND2 2.82Å; D67-F96 HydrophobicContact CB-CE1 3.84Å; D67-F96 HydrophobicContact CB-CZ 3.77Å; D67-S100 PolarHBondContact OD2-OG 2.84Å | ||
| 68 | E | 95.4 | Very high | 96.1 | Very high | 205 Ų | 205 | 38.4 Ų | 38.4 | 96% | 0.958 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.8 | -178.8 | -61.4 | 179.5 | 173.2 | 0 | 0 | 113.9 | G70 | E68-G70 VanDerWaalsContact C-N 3.3Š|
| 69 | R | 95.4 | Very high | 96.4 | Very high | 154 Ų | 154 | 37.5 Ų | 37.5 | 58% | 0.581 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.6 | 176 | -63.1 | 172.5 | -63.5 | -126.9 | -2.1 | 112.1 | D67 N71 S100 A126 | D67-R69 PolarHBondContact O-N 2.85Å; D67-R69 VanDerWaalsContact O-N 3.08Å; D67-R69 WeakPolarHBondContact OD1-CA 3.47Å; D67-R69 WeakPolarHBondContact OD1-CB 3.32Å; D67-R69 PolarHBondContact OD1-N 2.76Å; D67-R69 IonicContact OD2-CZ 3.15Å; D67-R69 IonicContact OD2-NE 2.59Å; D67-R69 PolarHBondContact OD2-NE 3.31Å; D67-R69 IonicContact OD2-NH2 2.82Å; D67-R69 PolarHBondContact OD2-NH2 3.08Å; R69-N71 VanDerWaalsContact C-N 3.33Å; R69-S100 PolarHBondContact NH1-O 2.84Å; R69-S100 PolarHBondContact NH2-O 2.87Å; R69-A126 WeakPolarHBondContact O-CB 3.24Å |
| 70 | G | 96.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | trans | 80.1 | 11.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | D67 E68 | D67-G70 PolarHBondContact O-N 3.48Å; D67-G70 PolarHBondContact OD1-N 2.96Å; E68-G70 VanDerWaalsContact C-N 3.3Å | ||
| 71 | N | 97.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | trans | -67.8 | 142.1 | 172.6 | -58.6 | -44.1 | 0 | 0 | 0 | 109.3 | E66 D67 R69 F96 Y123 Y124 Q125 A126 | E66-N71 VanDerWaalsContact CA-O 3.24Å; E66-N71 WeakPolarHBondContact CA-O 3.46Å; D67-N71 PolarHBondContact N-O 3.22Å; D67-N71 VanDerWaalsContact N-O 3.13Å; D67-N71 WeakPolarHBondContact OD1-CB 3.3Å; D67-N71 PolarHBondContact OD1-N 3.07Å; D67-N71 PolarHBondContact OD1-ND2 2.97Å; D67-N71 PolarHBondContact OD2-ND2 2.82Å; R69-N71 VanDerWaalsContact C-N 3.33Å; N71-F96 HydrophobicContact CB-CE2 4.45Å; N71-F96 HydrophobicContact CB-CZ 4.47Å; N71-Y123 HydrophobicContact CB-CE2 3.92Å; N71-Y124 CarbonylContact C-O 3.56Å; N71-Y124 WeakPolarHBondContact CA-O 3.32Å; N71-Y124 WeakPolarHBondContact CB-O 3.44Å; N71-Q125 WeakPolarHBondContact OD1-CA 3.48Å; N71-A126 PolarHBondContact OD1-N 3.42Å | ||
| 72 | V | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.8 | -176.8 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | L38 K40 F49 P64 V65 E66 Y123 Y124 | L38-V72 HydrophobicContact CD2-CB 4.37Å; L38-V72 HydrophobicContact CD2-CG1 3.85Å; L38-V72 HydrophobicContact CD2-CG2 3.55Å; K40-V72 HydrophobicContact CG-CG2 4.19Å; F49-V72 HydrophobicContact CB-CG1 4.19Å; F49-V72 HydrophobicContact CD1-CG1 3.95Å; F49-V72 HydrophobicContact CD2-CB 4.47Å; F49-V72 HydrophobicContact CD2-CG1 4.03Å; F49-V72 HydrophobicContact CD2-CG2 4.48Å; F49-V72 HydrophobicContact CE1-CB 4.48Å; F49-V72 HydrophobicContact CE1-CG1 4.32Å; F49-V72 HydrophobicContact CE2-CB 4.38Å; F49-V72 HydrophobicContact CE2-CG1 4.41Å; F49-V72 HydrophobicContact CE2-CG2 4.34Å; F49-V72 HydrophobicContact CG-CG1 3.79Å; F49-V72 HydrophobicContact CZ-CB 4.39Å; P64-V72 HydrophobicContact CB-CG1 3.56Å; P64-V72 HydrophobicContact CG-CG1 4.46Å; V65-V72 WeakPolarHBondContact O-CA 3.41Å; E66-V72 HydrophobicContact CG-CG2 4.45Å; V72-Y123 CarbonylContact O-C 3.58Å; V72-Y123 WeakPolarHBondContact O-CA 3.45Å; V72-Y123 WeakPolarHBondContact O-CD2 3.43Å; V72-Y124 HydrophobicContact CB-CD1 4.43Å; V72-Y124 HydrophobicContact CG2-CD1 4.19Å; V72-Y124 PolarHBondContact N-O 3.23Å; V72-Y124 PolarHBondContact O-N 3.35Å |
| 73 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | 179.1 | -177.2 | -120.2 | 0 | 0 | 0 | 112.8 | P64 V65 W75 T92 L95 F96 L99 F121 Y123 | P64-F73 WeakPolarHBondContact CA-O 3.49Å; V65-F73 HydrophobicContact CG2-CB 3.73Å; V65-F73 HydrophobicContact CG2-CD1 4.02Å; V65-F73 HydrophobicContact CG2-CG 4.38Å; V65-F73 PolarHBondContact N-O 3.16Å; V65-F73 PolarHBondContact O-N 3.02Å; F73-W75 HydrophobicContact CD1-CB 4.4Å; F73-W75 HydrophobicContact CE1-CB 3.69Å; F73-W75 HydrophobicContact CE1-CE3 4.44Å; F73-W75 HydrophobicContact CE1-CG 4.32Å; F73-W75 HydrophobicContact CZ-CB 3.93Å; F73-W75 HydrophobicContact CZ-CD2 4.25Å; F73-W75 AromaticContact CZ-CE3 3.71Å; F73-W75 HydrophobicContact CZ-CE3 3.71Å; F73-W75 HydrophobicContact CZ-CG 4.39Å; F73-T92 HydrophobicContact CD1-CG2 4.18Å; F73-T92 HydrophobicContact CE1-CG2 4.22Å; F73-L95 HydrophobicContact CE1-CB 4.49Å; F73-L95 HydrophobicContact CE1-CD2 4.27Å; F73-L95 HydrophobicContact CE1-CG 4.37Å; F73-L95 HydrophobicContact CZ-CD2 3.72Å; F73-L95 HydrophobicContact CZ-CG 4.09Å; F73-F96 HydrophobicContact CB-CD2 3.27Å; F73-F96 HydrophobicContact CB-CE2 3.46Å; F73-F96 VanDerWaalsContact CB-CE2 3.46Å; F73-F96 HydrophobicContact CB-CG 4.03Å; F73-F96 HydrophobicContact CB-CZ 4.35Å; F73-F96 HydrophobicContact CD1-CB 3.78Å; F73-F96 AromaticContact CD1-CD2 3.98Å; F73-F96 HydrophobicContact CD1-CD2 3.98Å; F73-F96 HydrophobicContact CD1-CG 4.14Å; F73-F96 HydrophobicContact CE1-CB 4.34Å; F73-F96 HydrophobicContact CG-CB 4.47Å; F73-F96 AromaticContact CG-CD2 3.79Å; F73-F96 HydrophobicContact CG-CD2 3.79Å; F73-F96 HydrophobicContact CG-CE2 4.43Å; F73-F96 HydrophobicContact CG-CG 4.4Å; F73-L99 HydrophobicContact CD2-CD2 3.91Å; F73-L99 HydrophobicContact CE2-CD2 3.92Å; F73-F121 HydrophobicContact CE2-CB 3.83Å; F73-F121 AromaticContact CE2-CD2 3.91Å; F73-F121 HydrophobicContact CE2-CD2 3.91Å; F73-F121 HydrophobicContact CE2-CG 4.15Å; F73-F121 HydrophobicContact CZ-CB 4.31Å; F73-Y123 HydrophobicContact CB-CD2 4.16Å; F73-Y123 HydrophobicContact CD2-CD2 4.14Å; F73-Y123 HydrophobicContact CD2-CG 4.4Å |
| 74 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.1 | 174.9 | -79.2 | 160.3 | 0 | 0 | 0 | 108.4 | I4 C5 F49 Q63 P64 F121 I122 | I4-L74 HydrophobicContact CB-CB 4.06Å; I4-L74 HydrophobicContact CB-CD2 4.12Å; I4-L74 HydrophobicContact CB-CG 4.5Å; I4-L74 HydrophobicContact CG2-CB 3.96Å; I4-L74 HydrophobicContact CG2-CD2 3.87Å; C5-L74 WeakPolarHBondContact O-CD1 3.47Å; F49-L74 HydrophobicContact CB-CD1 4.07Å; F49-L74 HydrophobicContact CD1-CD1 3.95Å; Q63-L74 HydrophobicContact CB-CD2 4.14Å; P64-L74 HydrophobicContact CB-CD2 4.12Å; P64-L74 HydrophobicContact CB-CG 4.12Å; P64-L74 HydrophobicContact CG-CD2 3.92Å; P64-L74 HydrophobicContact CG-CG 4.21Å; L74-F121 CarbonylContact O-C 3.58Å; L74-F121 VanDerWaalsContact O-CA 3.24Å; L74-F121 WeakPolarHBondContact O-CA 3.25Å; L74-F121 WeakPolarHBondContact O-CB 3.42Å; L74-I122 HydrophobicContact CB-CB 4.18Å; L74-I122 HydrophobicContact CD1-CB 4.38Å; L74-I122 HydrophobicContact CD1-CD1 4.27Å; L74-I122 PolarHBondContact N-O 2.61Å; L74-I122 PolarHBondContact O-N 3.09Å |
| 75 | W | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.2 | -176.4 | 179.8 | -113.3 | 0 | 0 | 0 | 110.7 | Q63 F73 G77 I79 D91 T92 L95 F112 V115 W119 F121 | Q63-W75 PolarHBondContact NE2-O 2.85Å; Q63-W75 PolarHBondContact OE1-O 3.38Å; Q63-W75 VanDerWaalsContact OE1-O 3.11Å; F73-W75 HydrophobicContact CD1-CB 4.4Å; F73-W75 HydrophobicContact CE1-CB 3.69Å; F73-W75 HydrophobicContact CE1-CE3 4.44Å; F73-W75 HydrophobicContact CE1-CG 4.32Å; F73-W75 HydrophobicContact CZ-CB 3.93Å; F73-W75 HydrophobicContact CZ-CD2 4.25Å; F73-W75 AromaticContact CZ-CE3 3.71Å; F73-W75 HydrophobicContact CZ-CE3 3.71Å; F73-W75 HydrophobicContact CZ-CG 4.39Å; W75-G77 PolarHBondContact NE1-O 3.27Å; W75-I79 HydrophobicContact CH2-CG1 4.43Å; W75-I79 HydrophobicContact CZ2-CD1 4.14Å; W75-I79 HydrophobicContact CZ2-CG1 3.73Å; W75-D91 PolarHBondContact NE1-OD2 3.35Å; W75-T92 HydrophobicContact CB-CG2 3.84Å; W75-T92 VanDerWaalsContact CD1-OG1 3.29Å; W75-L95 HydrophobicContact CD2-CD2 4.04Å; W75-L95 HydrophobicContact CE3-CD2 3.56Å; W75-L95 HydrophobicContact CH2-CD2 3.52Å; W75-L95 HydrophobicContact CZ2-CD2 4.04Å; W75-L95 HydrophobicContact CZ3-CD2 3.29Å; W75-F112 HydrophobicContact CZ3-CE1 4.17Å; W75-V115 HydrophobicContact CH2-CG1 4.26Å; W75-W119 HydrophobicContact CE3-CB 4.32Å; W75-W119 HydrophobicContact CH2-CB 3.05Å; W75-W119 AromaticContact CH2-CD1 3.79Å; W75-W119 HydrophobicContact CH2-CD2 4.1Å; W75-W119 AromaticContact CH2-CG 3.37Å; W75-W119 HydrophobicContact CH2-CG 3.37Å; W75-W119 HydrophobicContact CZ2-CB 3.54Å; W75-W119 HydrophobicContact CZ2-CG 4.2Å; W75-W119 HydrophobicContact CZ3-CB 3.49Å; W75-W119 VanDerWaalsContact CZ3-CB 3.49Å; W75-W119 HydrophobicContact CZ3-CD2 4.22Å; W75-W119 HydrophobicContact CZ3-CE3 4.38Å; W75-W119 AromaticContact CZ3-CG 3.87Å; W75-W119 HydrophobicContact CZ3-CG 3.87Å; W75-F121 HydrophobicContact CE3-CB 3.84Å; W75-F121 HydrophobicContact CZ3-CB 4.2Å |
| 76 | N | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 85 | 166 | 172.2 | 31 | 0 | 0 | 0 | 108.1 | M1 C2 I4 R30 W119 S120 R141 | M1-N76 WeakPolarHBondContact CA-OD1 3.14Å; M1-N76 WeakPolarHBondContact CG-OD1 3.26Å; C2-N76 HydrophobicContact CB-CB 4.3Å; C2-N76 PolarHBondContact N-OD1 3Å; C2-N76 PolarHBondContact O-OD1 3.41Å; I4-N76 HydrophobicContact CD1-CB 3.86Å; I4-N76 HydrophobicContact CG1-CB 4.05Å; I4-N76 HydrophobicContact CG2-CB 4.12Å; R30-N76 PolarHBondContact NH2-ND2 3.38Å; N76-W119 CarbonylContact O-C 3.52Å; N76-W119 WeakPolarHBondContact O-CA 3.37Å; N76-S120 CarbonylContact C-O 3.57Å; N76-S120 PolarHBondContact N-O 3.44Å; N76-S120 PolarHBondContact ND2-OG 3.48Å; N76-S120 PolarHBondContact O-N 2.61Å; N76-R141 VanDerWaalsContact O-CG 3.3Å; N76-R141 WeakPolarHBondContact O-CG 3.42Å |
| 77 | G | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | -174.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W75 P118 | W75-G77 PolarHBondContact NE1-O 3.27Å; G77-P118 CarbonylContact C-O 3.59Å; G77-P118 WeakPolarHBondContact CA-O 3.21Å |
| 78 | E | 95.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | trans | -141.8 | 135 | 169.2 | -70.2 | -68.3 | 149.7 | 0 | 0 | 108.9 | L56 R57 F80 D91 G117 P118 E547 R549 | L56-E78 WeakPolarHBondContact CB-OE1 3.28Å; R57-E78 VanDerWaalsContact CD-OE2 3.32Å; R57-E78 WeakPolarHBondContact CD-OE2 3.45Å; E78-F80 HydrophobicContact CB-CE1 4.17Å; E78-F80 HydrophobicContact CB-CE2 4.08Å; E78-F80 HydrophobicContact CB-CZ 3.78Å; E78-F80 HydrophobicContact CG-CZ 4.32Å; E78-D91 VanDerWaalsContact CA-OD2 3.24Å; E78-D91 WeakPolarHBondContact CA-OD2 3.45Å; E78-G117 WeakPolarHBondContact O-CA 3.42Å; E78-P118 HydrophobicContact CB-CG 4.39Å; E78-P118 PolarHBondContact N-O 2.99Å; E78-P118 WeakPolarHBondContact O-CD 3.45Å; E78-E547 WeakPolarHBondContact CG-OE1 3.46Å; E78-E547 WeakPolarHBondContact CG-OE2 3.46Å; E78-R549 IonicContact OE2-NH2 3.44Å | ||
| 79 | I | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -99.4 | 113.6 | 174.2 | -55 | -175.2 | 0 | 0 | 0 | 109.6 | R57 W75 I83 V85 D91 L95 V115 | R57-I79 PolarHBondContact NH1-O 3.29Å; W75-I79 HydrophobicContact CH2-CG1 4.43Å; W75-I79 HydrophobicContact CZ2-CD1 4.14Å; W75-I79 HydrophobicContact CZ2-CG1 3.73Å; I79-I83 HydrophobicContact CD1-CD1 3.47Å; I79-I83 VanDerWaalsContact CD1-CD1 3.47Å; I79-I83 HydrophobicContact CD1-CG1 3.85Å; I79-I83 HydrophobicContact CG2-CD1 4.47Å; I79-I83 HydrophobicContact CG2-CG1 3.67Å; I79-V85 HydrophobicContact CB-CG2 4.07Å; I79-V85 HydrophobicContact CD1-CG2 4.3Å; I79-V85 HydrophobicContact CG2-CG2 3.87Å; I79-D91 HydrophobicContact CB-CB 4.09Å; I79-D91 HydrophobicContact CD1-CB 4.02Å; I79-D91 HydrophobicContact CG1-CB 3.91Å; I79-D91 PolarHBondContact N-OD2 2.79Å; I79-L95 HydrophobicContact CD1-CB 4.18Å; I79-L95 HydrophobicContact CD1-CD2 4.27Å; I79-V115 HydrophobicContact CD1-CG1 4.13Å; I79-V115 HydrophobicContact CD1-CG2 4.46Å; I79-V115 HydrophobicContact CG1-CG1 3.91Å; I79-V115 HydrophobicContact CG2-CG1 4.41Å | ||
| 80 | F | 95.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | trans | -101 | -22.1 | -179.9 | -66.9 | -53.2 | 0 | 0 | 0 | 113.5 | E78 Q116 P118 K296 R297 R549 | E78-F80 HydrophobicContact CB-CE1 4.17Å; E78-F80 HydrophobicContact CB-CE2 4.08Å; E78-F80 HydrophobicContact CB-CZ 3.78Å; E78-F80 HydrophobicContact CG-CZ 4.32Å; F80-Q116 PolarHBondContact N-O 3.07Å; F80-P118 VanDerWaalsContact CE2-CD 3.46Å; F80-P118 HydrophobicContact CE2-CG 4.06Å; F80-K296 HydrophobicContact CB-CB 4.28Å; F80-K296 HydrophobicContact CB-CD 4.35Å; F80-K296 HydrophobicContact CD1-CB 4.29Å; F80-K296 WeakPolarHBondContact CD1-O 3.35Å; F80-K296 WeakPolarHBondContact CE1-O 3.35Å; F80-K296 HydrophobicContact CG-CB 4.44Å; F80-R297 HydrophobicContact CD2-CG 4.46Å; F80-R297 HydrophobicContact CE1-CG 4.34Å; F80-R297 HydrophobicContact CE2-CG 3.94Å; F80-R297 HydrophobicContact CZ-CG 3.89Å; F80-R549 HydrophobicContact CZ-CG 4.49Å | ||
| 81 | S | 94.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -166.7 | 178.5 | -175.5 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | I83 Q116 | S81-I83 PolarHBondContact O-N 3.05Å; S81-Q116 PolarHBondContact N-O 3.37Å; S81-Q116 WeakPolarHBondContact O-CB 3.39Å; S81-Q116 PolarHBondContact O-N 2.84Å; S81-Q116 PolarHBondContact OG-OE1 2.89Å |
| 82 | G | 94.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 35 Ų | 35 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 89.2 | -77.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E114 | G82-E114 WeakPolarHBondContact CA-O 3.31Š|
| 83 | I | 94.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -89.2 | 148.8 | 170.7 | 74.4 | 167.8 | 0 | 0 | 0 | 111.1 | I79 S81 V85 L95 Y98 L111 E114 V115 | I79-I83 HydrophobicContact CD1-CD1 3.47Å; I79-I83 VanDerWaalsContact CD1-CD1 3.47Å; I79-I83 HydrophobicContact CD1-CG1 3.85Å; I79-I83 HydrophobicContact CG2-CD1 4.47Å; I79-I83 HydrophobicContact CG2-CG1 3.67Å; S81-I83 PolarHBondContact O-N 3.05Å; I83-V85 HydrophobicContact CD1-CG2 4.45Å; I83-V85 HydrophobicContact CG1-CG2 4.14Å; I83-V85 PolarHBondContact O-N 2.98Å; I83-L95 HydrophobicContact CD1-CD1 4Å; I83-Y98 HydrophobicContact CD1-CD2 4.28Å; I83-Y98 HydrophobicContact CD1-CE2 4.49Å; I83-L111 HydrophobicContact CG2-CD1 4.08Å; I83-E114 HydrophobicContact CG2-CB 3.91Å; I83-V115 HydrophobicContact CD1-CG2 4.13Å; I83-V115 HydrophobicContact CG1-CG2 4.3Å; I83-V115 HydrophobicContact CG2-CG2 4.11Å |
| 84 | K | 93.3 | Very high | 94.1 | Very high | 141 Ų | 141 | 39.7 Ų | 39.7 | 61% | 0.613 | 21% | 0.213 | S | C | * | . | trans | -75.2 | 118.5 | -178.2 | -172.7 | 177.5 | 177.5 | -174.2 | 0 | 110.8 | E86 | K84-E86 WeakPolarHBondContact CE-OE1 3.42Å; K84-E86 IonicContact NZ-OE1 3.41Å; K84-E86 PolarHBondContact NZ-OE1 2.89Å | ||
| 85 | V | 92.6 | Very high | 94 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | trans | -138.6 | 113.1 | 171.3 | -165.2 | 0 | 0 | 0 | 0 | 108.3 | R57 I79 I83 E89 D91 I94 | R57-V85 PolarHBondContact NH2-O 3.23Å; I79-V85 HydrophobicContact CB-CG2 4.07Å; I79-V85 HydrophobicContact CD1-CG2 4.3Å; I79-V85 HydrophobicContact CG2-CG2 3.87Å; I83-V85 HydrophobicContact CD1-CG2 4.45Å; I83-V85 HydrophobicContact CG1-CG2 4.14Å; I83-V85 PolarHBondContact O-N 2.98Å; V85-E89 HydrophobicContact CG1-CB 3.88Å; V85-D91 HydrophobicContact CG1-CB 4.13Å; V85-D91 HydrophobicContact CG2-CB 4.45Å; V85-I94 HydrophobicContact CG1-CG1 4.17Å; V85-I94 HydrophobicContact CG2-CB 4.5Å; V85-I94 HydrophobicContact CG2-CG2 4.12Å | ||
| 86 | E | 90.8 | Very high | 94 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | trans | -67.9 | 163.4 | -179.1 | -61.6 | -66.4 | 168.6 | 0 | 0 | 111.9 | R57 K84 E88 E89 | R57-E86 PolarHBondContact NH2-O 2.79Å; K84-E86 WeakPolarHBondContact CE-OE1 3.42Å; K84-E86 IonicContact NZ-OE1 3.41Å; K84-E86 PolarHBondContact NZ-OE1 2.89Å; E86-E88 VanDerWaalsContact C-N 3.29Å; E86-E88 PolarHBondContact O-N 2.82Å; E86-E89 HydrophobicContact CB-CB 4.38Å; E86-E89 HydrophobicContact CB-CG 3.92Å; E86-E89 WeakPolarHBondContact CB-OE2 3.45Å; E86-E89 PolarHBondContact N-OE2 3.36Å; E86-E89 PolarHBondContact O-N 2.78Å; E86-E89 VanDerWaalsContact O-N 3.08Å | ||
| 87 | A | 84.3 | Confident | 93.9 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 51% | 0.512 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -36.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 88 | E | 86.3 | Confident | 93.9 | Very high | 170 Ų | 170 | 48.8 Ų | 48.8 | 79% | 0.794 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3.7 | 179.9 | -63.9 | 177.6 | -165.2 | 0 | 0 | 113.1 | G58 E86 | G58-E88 WeakPolarHBondContact CA-O 3.28Å; E86-E88 VanDerWaalsContact C-N 3.29Å; E86-E88 PolarHBondContact O-N 2.82Å |
| 89 | E | 91.7 | Very high | 94 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -85.5 | 149.8 | 179.5 | -72.6 | -179.8 | 147.1 | 0 | 0 | 112 | R57 V85 E86 I94 | R57-E89 PolarHBondContact NE-O 3.04Å; V85-E89 HydrophobicContact CG1-CB 3.88Å; E86-E89 HydrophobicContact CB-CB 4.38Å; E86-E89 HydrophobicContact CB-CG 3.92Å; E86-E89 WeakPolarHBondContact CB-OE2 3.45Å; E86-E89 PolarHBondContact N-OE2 3.36Å; E86-E89 PolarHBondContact O-N 2.78Å; E86-E89 VanDerWaalsContact O-N 3.08Å; E89-I94 HydrophobicContact CB-CG1 4.18Å; E89-I94 HydrophobicContact CG-CD1 4.49Å |
| 90 | N | 93.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -92.5 | 119.9 | 171.8 | -171.1 | -83.2 | 0 | 0 | 0 | 110 | R57 V59 T61 T92 Q93 I94 | R57-N90 PolarHBondContact O-ND2 3.35Å; V59-N90 PolarHBondContact O-ND2 2.88Å; T61-N90 WeakPolarHBondContact OG1-CB 3.31Å; T61-N90 PolarHBondContact OG1-OD1 3.44Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 3.01Å; N90-T92 WeakPolarHBondContact OD1-CB 3.21Å; N90-T92 PolarHBondContact OD1-N 2.93Å; N90-T92 PolarHBondContact OD1-OG1 3.31Å; N90-Q93 PolarHBondContact O-N 3.41Å; N90-I94 WeakPolarHBondContact O-CG1 3.2Å; N90-I94 PolarHBondContact O-N 2.95Å | ||
| 91 | D | 94.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -30.3 | -177.2 | 64.1 | -23.9 | 0 | 0 | 0 | 113.7 | W75 E78 I79 V85 L95 | W75-D91 PolarHBondContact NE1-OD2 3.35Å; E78-D91 VanDerWaalsContact CA-OD2 3.24Å; E78-D91 WeakPolarHBondContact CA-OD2 3.45Å; I79-D91 HydrophobicContact CB-CB 4.09Å; I79-D91 HydrophobicContact CD1-CB 4.02Å; I79-D91 HydrophobicContact CG1-CB 3.91Å; I79-D91 PolarHBondContact N-OD2 2.79Å; V85-D91 HydrophobicContact CG1-CB 4.13Å; V85-D91 HydrophobicContact CG2-CB 4.45Å; D91-L95 VanDerWaalsContact O-CB 3.24Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.98Å |
| 92 | T | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.6 | -54 | 0 | 0 | 0 | 0 | 110.8 | Q63 V65 F73 W75 N90 F96 | Q63-T92 HydrophobicContact CG-CG2 4.1Å; Q63-T92 PolarHBondContact NE2-OG1 3.33Å; V65-T92 HydrophobicContact CG1-CG2 4.36Å; V65-T92 HydrophobicContact CG2-CG2 4.41Å; F73-T92 HydrophobicContact CD1-CG2 4.18Å; F73-T92 HydrophobicContact CE1-CG2 4.22Å; W75-T92 HydrophobicContact CB-CG2 3.84Å; W75-T92 VanDerWaalsContact CD1-OG1 3.29Å; N90-T92 VanDerWaalsContact C-N 3.27Å; N90-T92 PolarHBondContact O-N 3.01Å; N90-T92 WeakPolarHBondContact OD1-CB 3.21Å; N90-T92 PolarHBondContact OD1-N 2.93Å; N90-T92 PolarHBondContact OD1-OG1 3.31Å; T92-F96 VanDerWaalsContact O-CB 3.27Å; T92-F96 WeakPolarHBondContact O-CB 3.45Å; T92-F96 PolarHBondContact O-N 2.56Å |
| 93 | Q | 95.5 | Very high | 93.8 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.4 | -42.9 | -178.3 | -172.1 | 62.8 | 57.8 | 0 | 0 | 111.3 | N90 F96 N97 | N90-Q93 PolarHBondContact O-N 3.41Å; Q93-F96 PolarHBondContact O-N 2.87Å; Q93-N97 PolarHBondContact NE2-OD1 2.79Å; Q93-N97 PolarHBondContact O-N 2.84Å; Q93-N97 PolarHBondContact O-ND2 3.39Å; Q93-N97 PolarHBondContact O-OD1 2.84Å |
| 94 | I | 96.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 14% | 0.138 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 178.9 | -65 | -59.9 | 0 | 0 | 0 | 110.8 | V85 E89 N90 F96 N97 Y98 | V85-I94 HydrophobicContact CG1-CG1 4.17Å; V85-I94 HydrophobicContact CG2-CB 4.5Å; V85-I94 HydrophobicContact CG2-CG2 4.12Å; E89-I94 HydrophobicContact CB-CG1 4.18Å; E89-I94 HydrophobicContact CG-CD1 4.49Å; N90-I94 WeakPolarHBondContact O-CG1 3.2Å; N90-I94 PolarHBondContact O-N 2.95Å; I94-F96 VanDerWaalsContact C-N 3.34Å; I94-F96 PolarHBondContact O-N 3.11Å; I94-N97 PolarHBondContact O-N 2.93Å; I94-Y98 HydrophobicContact CG2-CD2 3.91Å; I94-Y98 HydrophobicContact CG2-CE2 3.55Å; I94-Y98 WeakPolarHBondContact O-CD2 3.28Å; I94-Y98 PolarHBondContact O-N 2.87Å |
| 95 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 178.6 | -177.7 | 60.4 | 0 | 0 | 0 | 111.7 | F73 W75 I79 I83 D91 N97 Y98 L99 L111 F112 V115 | F73-L95 HydrophobicContact CE1-CB 4.49Å; F73-L95 HydrophobicContact CE1-CD2 4.27Å; F73-L95 HydrophobicContact CE1-CG 4.37Å; F73-L95 HydrophobicContact CZ-CD2 3.72Å; F73-L95 HydrophobicContact CZ-CG 4.09Å; W75-L95 HydrophobicContact CD2-CD2 4.04Å; W75-L95 HydrophobicContact CE3-CD2 3.56Å; W75-L95 HydrophobicContact CH2-CD2 3.52Å; W75-L95 HydrophobicContact CZ2-CD2 4.04Å; W75-L95 HydrophobicContact CZ3-CD2 3.29Å; I79-L95 HydrophobicContact CD1-CB 4.18Å; I79-L95 HydrophobicContact CD1-CD2 4.27Å; I83-L95 HydrophobicContact CD1-CD1 4Å; D91-L95 VanDerWaalsContact O-CB 3.24Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.98Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.33Å; L95-Y98 PolarHBondContact O-N 2.78Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.39Å; L95-L99 PolarHBondContact O-N 2.83Å; L95-L111 HydrophobicContact CD1-CD1 4.03Å; L95-L111 HydrophobicContact CD1-CD2 3.85Å; L95-L111 HydrophobicContact CD1-CG 3.92Å; L95-F112 HydrophobicContact CD2-CE1 4.27Å; L95-V115 HydrophobicContact CD1-CG2 4.17Å |
| 96 | F | 97.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.9 | -172.4 | -132.7 | 0 | 0 | 0 | 112.1 | V65 D67 N71 F73 T92 Q93 I94 Y98 L99 S100 Y123 | V65-F96 HydrophobicContact CB-CD1 4.12Å; V65-F96 HydrophobicContact CB-CE1 4.22Å; V65-F96 HydrophobicContact CG2-CB 4.13Å; V65-F96 HydrophobicContact CG2-CD1 3.49Å; V65-F96 VanDerWaalsContact CG2-CD1 3.49Å; V65-F96 HydrophobicContact CG2-CD2 4.19Å; V65-F96 HydrophobicContact CG2-CE1 3.83Å; V65-F96 HydrophobicContact CG2-CE2 4.47Å; V65-F96 HydrophobicContact CG2-CG 3.68Å; V65-F96 HydrophobicContact CG2-CZ 4.31Å; D67-F96 HydrophobicContact CB-CE1 3.84Å; D67-F96 HydrophobicContact CB-CZ 3.77Å; N71-F96 HydrophobicContact CB-CE2 4.45Å; N71-F96 HydrophobicContact CB-CZ 4.47Å; F73-F96 HydrophobicContact CB-CD2 3.27Å; F73-F96 HydrophobicContact CB-CE2 3.46Å; F73-F96 VanDerWaalsContact CB-CE2 3.46Å; F73-F96 HydrophobicContact CB-CG 4.03Å; F73-F96 HydrophobicContact CB-CZ 4.35Å; F73-F96 HydrophobicContact CD1-CB 3.78Å; F73-F96 AromaticContact CD1-CD2 3.98Å; F73-F96 HydrophobicContact CD1-CD2 3.98Å; F73-F96 HydrophobicContact CD1-CG 4.14Å; F73-F96 HydrophobicContact CE1-CB 4.34Å; F73-F96 HydrophobicContact CG-CB 4.47Å; F73-F96 AromaticContact CG-CD2 3.79Å; F73-F96 HydrophobicContact CG-CD2 3.79Å; F73-F96 HydrophobicContact CG-CE2 4.43Å; F73-F96 HydrophobicContact CG-CG 4.4Å; T92-F96 VanDerWaalsContact O-CB 3.27Å; T92-F96 WeakPolarHBondContact O-CB 3.45Å; T92-F96 PolarHBondContact O-N 2.56Å; Q93-F96 PolarHBondContact O-N 2.87Å; I94-F96 VanDerWaalsContact C-N 3.34Å; I94-F96 PolarHBondContact O-N 3.11Å; F96-Y98 PolarHBondContact O-N 3.41Å; F96-L99 PolarHBondContact O-N 2.87Å; F96-S100 WeakPolarHBondContact O-CB 3.36Å; F96-S100 PolarHBondContact O-N 3.46Å; F96-S100 PolarHBondContact O-OG 3.32Å; F96-Y123 HydrophobicContact CD2-CE2 4.47Å; F96-Y123 HydrophobicContact CE2-CD2 4.43Å; F96-Y123 AromaticContact CE2-CE2 3.97Å; F96-Y123 HydrophobicContact CE2-CE2 3.97Å |
| 97 | N | 95.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 57 Ų | 57 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.3 | -68.5 | -11.9 | 0 | 0 | 0 | 112.1 | Q93 I94 L95 S101 | Q93-N97 PolarHBondContact NE2-OD1 2.79Å; Q93-N97 PolarHBondContact O-N 2.84Å; Q93-N97 PolarHBondContact O-ND2 3.39Å; Q93-N97 PolarHBondContact O-OD1 2.84Å; I94-N97 PolarHBondContact O-N 2.93Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 3.33Å; N97-S101 PolarHBondContact O-N 2.89Å; N97-S101 PolarHBondContact O-OG 3.03Å |
| 98 | Y | 96.6 | Very high | 95.1 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 43% | 0.431 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 174 | -75.3 | -63.3 | 0 | 0 | 0 | 111.3 | I83 I94 L95 F96 S100 S101 C102 L111 | I83-Y98 HydrophobicContact CD1-CD2 4.28Å; I83-Y98 HydrophobicContact CD1-CE2 4.49Å; I94-Y98 HydrophobicContact CG2-CD2 3.91Å; I94-Y98 HydrophobicContact CG2-CE2 3.55Å; I94-Y98 WeakPolarHBondContact O-CD2 3.28Å; I94-Y98 PolarHBondContact O-N 2.87Å; L95-Y98 PolarHBondContact O-N 2.78Å; F96-Y98 PolarHBondContact O-N 3.41Å; Y98-S100 VanDerWaalsContact C-N 3.34Å; Y98-S100 PolarHBondContact O-N 2.92Å; Y98-S101 WeakPolarHBondContact O-CA 3.33Å; Y98-S101 WeakPolarHBondContact O-CB 3.25Å; Y98-S101 PolarHBondContact O-N 2.87Å; Y98-C102 PolarHBondContact O-N 3.39Å; Y98-C102 PolarHBondContact O-SG 2.88Å; Y98-C102 VanDerWaalsContact O-SG 3.4Å; Y98-L111 HydrophobicContact CG-CD1 4.24Å |
| 99 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | -177.7 | -171.8 | 60.6 | 0 | 0 | 0 | 112.4 | F73 L95 F96 S101 C102 I108 L111 F112 Y123 | F73-L99 HydrophobicContact CD2-CD2 3.91Å; F73-L99 HydrophobicContact CE2-CD2 3.92Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.39Å; L95-L99 PolarHBondContact O-N 2.83Å; F96-L99 PolarHBondContact O-N 2.87Å; L99-S101 PolarHBondContact O-N 2.73Å; L99-C102 WeakPolarHBondContact O-CB 3.46Å; L99-C102 PolarHBondContact O-N 3.45Å; L99-I108 HydrophobicContact CD1-CB 4.43Å; L99-I108 HydrophobicContact CD1-CD1 4.44Å; L99-I108 HydrophobicContact CD1-CG1 3.99Å; L99-I108 HydrophobicContact CD1-CG2 3.95Å; L99-L111 HydrophobicContact CB-CD2 4.12Å; L99-L111 HydrophobicContact CD1-CD2 4.23Å; L99-F112 HydrophobicContact CD1-CE2 4.03Å; L99-Y123 HydrophobicContact CD1-CD1 4.09Å; L99-Y123 HydrophobicContact CD1-CE1 3.93Å; L99-Y123 HydrophobicContact CD2-CD1 3.56Å; L99-Y123 HydrophobicContact CD2-CD2 3.51Å; L99-Y123 HydrophobicContact CD2-CE1 3.81Å; L99-Y123 HydrophobicContact CD2-CE2 3.78Å; L99-Y123 HydrophobicContact CD2-CG 3.39Å; L99-Y123 HydrophobicContact CG-CD1 3.87Å; L99-Y123 HydrophobicContact CG-CD2 4.23Å; L99-Y123 HydrophobicContact CG-CE1 3.61Å; L99-Y123 HydrophobicContact CG-CE2 4.01Å; L99-Y123 HydrophobicContact CG-CG 4.17Å |
| 100 | S | 94.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.6 | 173.3 | -83.1 | 0 | 0 | 0 | 0 | 113.5 | D67 R69 F96 Y98 | D67-S100 PolarHBondContact OD2-OG 2.84Å; R69-S100 PolarHBondContact NH1-O 2.84Å; R69-S100 PolarHBondContact NH2-O 2.87Å; F96-S100 WeakPolarHBondContact O-CB 3.36Å; F96-S100 PolarHBondContact O-N 3.46Å; F96-S100 PolarHBondContact O-OG 3.32Å; Y98-S100 VanDerWaalsContact C-N 3.34Å; Y98-S100 PolarHBondContact O-N 2.92Å |
| 101 | S | 94.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -14.2 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | N97 Y98 L99 K103 | N97-S101 PolarHBondContact O-N 2.89Å; N97-S101 PolarHBondContact O-OG 3.03Å; Y98-S101 WeakPolarHBondContact O-CA 3.33Å; Y98-S101 WeakPolarHBondContact O-CB 3.25Å; Y98-S101 PolarHBondContact O-N 2.87Å; L99-S101 PolarHBondContact O-N 2.73Å; S101-K103 PolarHBondContact O-N 3.05Å |
| 102 | C | 96.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | trans | -66.5 | 130.4 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | Y98 L99 E107 I108 | Y98-C102 PolarHBondContact O-N 3.39Å; Y98-C102 PolarHBondContact O-SG 2.88Å; Y98-C102 VanDerWaalsContact O-SG 3.4Å; L99-C102 WeakPolarHBondContact O-CB 3.46Å; L99-C102 PolarHBondContact O-N 3.45Å; C102-E107 VanDerWaalsContact CA-OE2 3.32Å; C102-E107 WeakPolarHBondContact CA-OE2 3.47Å; C102-E107 HydrophobicContact CB-CB 3.91Å; C102-I108 HydrophobicContact CB-CG1 3.71Å | ||
| 103 | K | 92.9 | Very high | 96.3 | Very high | 185 Ų | 185 | 45.8 Ų | 45.8 | 80% | 0.804 | 24% | 0.242 | S | C | * | . | trans | -95.9 | -20.4 | -176.3 | -63 | 176.6 | -176.9 | 172.4 | 0 | 113.7 | S101 E107 | S101-K103 PolarHBondContact O-N 3.05Å; K103-E107 PolarHBondContact N-OE2 3.27Å | ||
| 104 | N | 94.3 | Very high | 96.4 | Very high | 72 Ų | 72 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -150.5 | 171.3 | -174.4 | 58.9 | 67.6 | 0 | 0 | 0 | 111.1 | S106 E107 I108 | N104-S106 VanDerWaalsContact C-N 3.3Å; N104-S106 PolarHBondContact O-N 3.39Å; N104-S106 WeakPolarHBondContact OD1-CB 3.14Å; N104-S106 PolarHBondContact OD1-N 3.39Å; N104-S106 VanDerWaalsContact OD1-N 3.09Å; N104-E107 PolarHBondContact ND2-OE1 2.73Å; N104-E107 PolarHBondContact O-N 3.36Å; N104-E107 PolarHBondContact OD1-N 3.32Å; N104-I108 PolarHBondContact O-N 3.24Å |
| 105 | E | 95.7 | Very high | 96.5 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | -178.5 | -56.8 | 176.8 | -170.9 | 0 | 0 | 112.4 | E107 I108 L109 W132 R180 Y197 L235 | E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 3.37Å; E105-I108 PolarHBondContact O-N 2.89Å; E105-L109 WeakPolarHBondContact O-CG 3.39Å; E105-L109 PolarHBondContact O-N 3.38Å; E105-W132 HydrophobicContact CB-CH2 4.06Å; E105-W132 HydrophobicContact CG-CH2 3.83Å; E105-W132 HydrophobicContact CG-CZ2 4Å; E105-R180 IonicContact OE1-CZ 2.69Å; E105-R180 IonicContact OE1-NH1 3.95Å; E105-R180 PolarHBondContact OE1-NH1 2.88Å; E105-R180 IonicContact OE1-NH2 3.19Å; E105-Y197 HydrophobicContact CB-CE1 4.5Å; E105-Y197 PolarHBondContact OE1-OH 2.94Å; E105-Y197 VanDerWaalsContact OE2-CE1 3.25Å; E105-Y197 WeakPolarHBondContact OE2-CE1 3.32Å; E105-Y197 PolarHBondContact OE2-OH 2.68Å; E105-L235 HydrophobicContact CB-CD1 3.8Å |
| 106 | S | 96.4 | Very high | 96.5 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | N104 L109 S110 | N104-S106 VanDerWaalsContact C-N 3.3Å; N104-S106 PolarHBondContact O-N 3.39Å; N104-S106 WeakPolarHBondContact OD1-CB 3.14Å; N104-S106 PolarHBondContact OD1-N 3.39Å; N104-S106 VanDerWaalsContact OD1-N 3.09Å; S106-L109 PolarHBondContact O-N 2.81Å; S106-S110 WeakPolarHBondContact O-CB 3.29Å; S106-S110 PolarHBondContact O-N 3.24Å |
| 107 | E | 97.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 34% | 0.341 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 176.9 | -72.1 | 171.4 | -150.9 | 0 | 0 | 111.7 | C102 K103 N104 E105 L109 S110 L111 | C102-E107 VanDerWaalsContact CA-OE2 3.32Å; C102-E107 WeakPolarHBondContact CA-OE2 3.47Å; C102-E107 HydrophobicContact CB-CB 3.91Å; K103-E107 PolarHBondContact N-OE2 3.27Å; N104-E107 PolarHBondContact ND2-OE1 2.73Å; N104-E107 PolarHBondContact O-N 3.36Å; N104-E107 PolarHBondContact OD1-N 3.32Å; E105-E107 VanDerWaalsContact C-N 3.34Å; E105-E107 PolarHBondContact O-N 3.37Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-S110 PolarHBondContact O-N 3.2Å; E107-L111 WeakPolarHBondContact O-CB 3.48Å; E107-L111 PolarHBondContact O-N 3.39Å |
| 108 | I | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 173.5 | -62.5 | 176.9 | 0 | 0 | 0 | 110.2 | L99 C102 N104 E105 L111 F112 W132 | L99-I108 HydrophobicContact CD1-CB 4.43Å; L99-I108 HydrophobicContact CD1-CD1 4.44Å; L99-I108 HydrophobicContact CD1-CG1 3.99Å; L99-I108 HydrophobicContact CD1-CG2 3.95Å; C102-I108 HydrophobicContact CB-CG1 3.71Å; N104-I108 PolarHBondContact O-N 3.24Å; E105-I108 PolarHBondContact O-N 2.89Å; I108-L111 PolarHBondContact O-N 2.85Å; I108-F112 HydrophobicContact CG2-CD2 3.88Å; I108-F112 HydrophobicContact CG2-CE2 4.02Å; I108-F112 WeakPolarHBondContact O-CD2 3.42Å; I108-F112 PolarHBondContact O-N 3.35Å; I108-W132 HydrophobicContact CD1-CZ2 4.1Å |
| 109 | L | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | -178.8 | -64.4 | 166.9 | 0 | 0 | 0 | 112.2 | E105 S106 E107 F112 S113 L178 Y197 L235 L237 | E105-L109 WeakPolarHBondContact O-CG 3.39Å; E105-L109 PolarHBondContact O-N 3.38Å; S106-L109 PolarHBondContact O-N 2.81Å; E107-L109 VanDerWaalsContact C-N 3.35Å; L109-F112 PolarHBondContact O-N 3.13Å; L109-S113 WeakPolarHBondContact O-CB 3.39Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.39Å; L109-L178 HydrophobicContact CD2-CD1 3.99Å; L109-L178 HydrophobicContact CD2-CG 4.47Å; L109-Y197 HydrophobicContact CD1-CD1 3.55Å; L109-Y197 HydrophobicContact CD1-CE1 4.15Å; L109-Y197 HydrophobicContact CD1-CG 4.22Å; L109-Y197 HydrophobicContact CD2-CD1 4.08Å; L109-Y197 HydrophobicContact CD2-CG 3.89Å; L109-Y197 HydrophobicContact CG-CD1 4.37Å; L109-L235 HydrophobicContact CD1-CB 3.45Å; L109-L235 VanDerWaalsContact CD1-CB 3.45Å; L109-L235 HydrophobicContact CD1-CD1 4.04Å; L109-L235 HydrophobicContact CD1-CG 4.32Å; L109-L237 HydrophobicContact CB-CG 4.49Å; L109-L237 HydrophobicContact CD2-CD1 3.66Å; L109-L237 HydrophobicContact CD2-CD2 4.44Å; L109-L237 HydrophobicContact CD2-CG 3.8Å |
| 110 | S | 97.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 42% | 0.42 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 173.7 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | S106 E107 F112 S113 E114 | S106-S110 WeakPolarHBondContact O-CB 3.29Å; S106-S110 PolarHBondContact O-N 3.24Å; E107-S110 PolarHBondContact O-N 3.2Å; S110-F112 PolarHBondContact O-N 3.23Å; S110-S113 WeakPolarHBondContact O-CB 3.37Å; S110-S113 PolarHBondContact O-N 3.1Å; S110-S113 VanDerWaalsContact O-N 3.13Å; S110-E114 PolarHBondContact O-N 3.13Å; S110-E114 VanDerWaalsContact O-N 3.1Å |
| 111 | L | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -50.8 | 177.9 | 176.4 | 62.4 | 0 | 0 | 0 | 111.7 | I83 L95 Y98 L99 E107 I108 S113 E114 V115 | I83-L111 HydrophobicContact CG2-CD1 4.08Å; L95-L111 HydrophobicContact CD1-CD1 4.03Å; L95-L111 HydrophobicContact CD1-CD2 3.85Å; L95-L111 HydrophobicContact CD1-CG 3.92Å; Y98-L111 HydrophobicContact CG-CD1 4.24Å; L99-L111 HydrophobicContact CB-CD2 4.12Å; L99-L111 HydrophobicContact CD1-CD2 4.23Å; E107-L111 WeakPolarHBondContact O-CB 3.48Å; E107-L111 PolarHBondContact O-N 3.39Å; I108-L111 PolarHBondContact O-N 2.85Å; L111-S113 VanDerWaalsContact C-N 3.29Å; L111-S113 PolarHBondContact O-N 3.41Å; L111-E114 PolarHBondContact O-N 2.92Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.45Å |
| 112 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72 | -20.3 | 179.4 | -80.7 | -74.7 | 0 | 0 | 0 | 114.1 | W75 L95 L99 I108 L109 S110 E114 W119 F121 L178 L237 | W75-F112 HydrophobicContact CZ3-CE1 4.17Å; L95-F112 HydrophobicContact CD2-CE1 4.27Å; L99-F112 HydrophobicContact CD1-CE2 4.03Å; I108-F112 HydrophobicContact CG2-CD2 3.88Å; I108-F112 HydrophobicContact CG2-CE2 4.02Å; I108-F112 WeakPolarHBondContact O-CD2 3.42Å; I108-F112 PolarHBondContact O-N 3.35Å; L109-F112 PolarHBondContact O-N 3.13Å; S110-F112 PolarHBondContact O-N 3.23Å; F112-E114 VanDerWaalsContact C-N 3.34Å; F112-W119 HydrophobicContact CB-CH2 4.41Å; F112-W119 HydrophobicContact CD1-CE3 4.41Å; F112-W119 AromaticContact CD1-CH2 3.77Å; F112-W119 HydrophobicContact CD1-CH2 3.77Å; F112-W119 AromaticContact CD1-CZ2 3.96Å; F112-W119 HydrophobicContact CD1-CZ2 3.96Å; F112-W119 AromaticContact CD1-CZ3 3.99Å; F112-W119 HydrophobicContact CD1-CZ3 3.99Å; F112-W119 HydrophobicContact CE1-CE3 4.47Å; F112-W119 HydrophobicContact CE1-CZ3 4.31Å; F112-W119 HydrophobicContact CG-CH2 4.43Å; F112-F121 HydrophobicContact CD1-CD1 4.18Å; F112-F121 AromaticContact CD1-CE1 3.83Å; F112-F121 HydrophobicContact CD1-CE1 3.83Å; F112-F121 HydrophobicContact CD2-CE1 4.3Å; F112-F121 HydrophobicContact CD2-CZ 4.22Å; F112-F121 AromaticContact CE1-CD1 3.36Å; F112-F121 HydrophobicContact CE1-CD1 3.36Å; F112-F121 HydrophobicContact CE1-CD2 4.49Å; F112-F121 AromaticContact CE1-CE1 3.32Å; F112-F121 HydrophobicContact CE1-CE1 3.32Å; F112-F121 HydrophobicContact CE1-CE2 4.48Å; F112-F121 AromaticContact CE1-CG 3.98Å; F112-F121 HydrophobicContact CE1-CG 3.98Å; F112-F121 AromaticContact CE1-CZ 3.94Å; F112-F121 HydrophobicContact CE1-CZ 3.94Å; F112-F121 HydrophobicContact CE2-CD1 4.49Å; F112-F121 AromaticContact CE2-CE1 3.86Å; F112-F121 HydrophobicContact CE2-CE1 3.86Å; F112-F121 HydrophobicContact CE2-CE2 4.01Å; F112-F121 AromaticContact CE2-CZ 3.6Å; F112-F121 HydrophobicContact CE2-CZ 3.6Å; F112-F121 HydrophobicContact CG-CE1 4.3Å; F112-F121 AromaticContact CZ-CD1 3.56Å; F112-F121 HydrophobicContact CZ-CD1 3.56Å; F112-F121 AromaticContact CZ-CD2 3.88Å; F112-F121 HydrophobicContact CZ-CD2 3.88Å; F112-F121 AromaticContact CZ-CE1 3.34Å; F112-F121 HydrophobicContact CZ-CE1 3.34Å; F112-F121 AromaticContact CZ-CE2 3.71Å; F112-F121 HydrophobicContact CZ-CE2 3.71Å; F112-F121 AromaticContact CZ-CG 3.82Å; F112-F121 HydrophobicContact CZ-CG 3.82Å; F112-F121 AromaticContact CZ-CZ 3.44Å; F112-F121 HydrophobicContact CZ-CZ 3.44Å; F112-F121 VanDerWaalsContact CZ-CZ 3.44Å; F112-L178 HydrophobicContact CB-CD1 4.04Å; F112-L178 HydrophobicContact CD2-CD1 3.76Å; F112-L178 HydrophobicContact CE2-CD1 4.47Å; F112-L178 HydrophobicContact CG-CD1 3.98Å; F112-L237 HydrophobicContact CB-CD2 3.67Å |
| 113 | S | 97.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -31.8 | 171.7 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | L109 S110 L111 L237 E238 | L109-S113 WeakPolarHBondContact O-CB 3.39Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.39Å; S110-S113 WeakPolarHBondContact O-CB 3.37Å; S110-S113 PolarHBondContact O-N 3.1Å; S110-S113 VanDerWaalsContact O-N 3.13Å; L111-S113 VanDerWaalsContact C-N 3.29Å; L111-S113 PolarHBondContact O-N 3.41Å; S113-L237 VanDerWaalsContact OG-CA 3.28Å; S113-L237 WeakPolarHBondContact OG-CA 3.15Å; S113-L237 WeakPolarHBondContact OG-CB 3.46Å; S113-E238 PolarHBondContact OG-N 2.84Å |
| 114 | E | 96.9 | Very high | 97.5 | Very high | 99 Ų | 99 | 24.7 Ų | 24.7 | 46% | 0.463 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -77 | -32.7 | 178.8 | -71.1 | 175.1 | -155.4 | 0 | 0 | 112.7 | G82 I83 S110 L111 F112 Q116 | G82-E114 WeakPolarHBondContact CA-O 3.31Å; I83-E114 HydrophobicContact CG2-CB 3.91Å; S110-E114 PolarHBondContact O-N 3.13Å; S110-E114 VanDerWaalsContact O-N 3.1Å; L111-E114 PolarHBondContact O-N 2.92Å; F112-E114 VanDerWaalsContact C-N 3.34Å; E114-Q116 PolarHBondContact O-N 3.42Å; E114-Q116 VanDerWaalsContact O-N 3.13Å |
| 115 | V | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | trans | -62.8 | 115.8 | -174.5 | 178.7 | 0 | 0 | 0 | 0 | 112 | W75 I79 I83 L95 L111 | W75-V115 HydrophobicContact CH2-CG1 4.26Å; I79-V115 HydrophobicContact CD1-CG1 4.13Å; I79-V115 HydrophobicContact CD1-CG2 4.46Å; I79-V115 HydrophobicContact CG1-CG1 3.91Å; I79-V115 HydrophobicContact CG2-CG1 4.41Å; I83-V115 HydrophobicContact CD1-CG2 4.13Å; I83-V115 HydrophobicContact CG1-CG2 4.3Å; I83-V115 HydrophobicContact CG2-CG2 4.11Å; L95-V115 HydrophobicContact CD1-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.45Å | ||
| 116 | Q | 97.2 | Very high | 97.6 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 17% | 0.173 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -105.1 | 125.2 | 172.9 | -61.1 | -178.4 | -6 | 0 | 0 | 111 | F80 S81 E114 E555 | F80-Q116 PolarHBondContact N-O 3.07Å; S81-Q116 PolarHBondContact N-O 3.37Å; S81-Q116 WeakPolarHBondContact O-CB 3.39Å; S81-Q116 PolarHBondContact O-N 2.84Å; S81-Q116 PolarHBondContact OG-OE1 2.89Å; E114-Q116 PolarHBondContact O-N 3.42Å; E114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-E555 HydrophobicContact CB-CG 4.23Å; Q116-E555 HydrophobicContact CG-CB 4.39Å; Q116-E555 HydrophobicContact CG-CG 4.13Å |
| 117 | G | 96.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 136.8 | 167.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E78 R140 E555 | E78-G117 WeakPolarHBondContact O-CA 3.42Å; G117-R140 VanDerWaalsContact C-NH2 3.31Å; G117-R140 PolarHBondContact O-NH2 2.94Å; G117-E555 PolarHBondContact N-OE1 2.67Å |
| 118 | P | 97.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | trans | -75.8 | 128.7 | -177.9 | 31.6 | -34.9 | 0 | 0 | 0 | 110.9 | G77 E78 F80 R140 R141 | G77-P118 CarbonylContact C-O 3.59Å; G77-P118 WeakPolarHBondContact CA-O 3.21Å; E78-P118 HydrophobicContact CB-CG 4.39Å; E78-P118 PolarHBondContact N-O 2.99Å; E78-P118 WeakPolarHBondContact O-CD 3.45Å; F80-P118 VanDerWaalsContact CE2-CD 3.46Å; F80-P118 HydrophobicContact CE2-CG 4.06Å; P118-R140 HydrophobicContact CB-CB 3.51Å; P118-R140 HydrophobicContact CB-CG 4.36Å; P118-R141 HydrophobicContact CB-CG 4.07Å | ||
| 119 | W | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 151 | 179.6 | 54.1 | -100.8 | 0 | 0 | 0 | 115.3 | W75 N76 F112 F121 R135 D136 L178 W199 | W75-W119 HydrophobicContact CE3-CB 4.32Å; W75-W119 HydrophobicContact CH2-CB 3.05Å; W75-W119 AromaticContact CH2-CD1 3.79Å; W75-W119 HydrophobicContact CH2-CD2 4.1Å; W75-W119 AromaticContact CH2-CG 3.37Å; W75-W119 HydrophobicContact CH2-CG 3.37Å; W75-W119 HydrophobicContact CZ2-CB 3.54Å; W75-W119 HydrophobicContact CZ2-CG 4.2Å; W75-W119 HydrophobicContact CZ3-CB 3.49Å; W75-W119 VanDerWaalsContact CZ3-CB 3.49Å; W75-W119 HydrophobicContact CZ3-CD2 4.22Å; W75-W119 HydrophobicContact CZ3-CE3 4.38Å; W75-W119 AromaticContact CZ3-CG 3.87Å; W75-W119 HydrophobicContact CZ3-CG 3.87Å; N76-W119 CarbonylContact O-C 3.52Å; N76-W119 WeakPolarHBondContact O-CA 3.37Å; F112-W119 HydrophobicContact CB-CH2 4.41Å; F112-W119 HydrophobicContact CD1-CE3 4.41Å; F112-W119 AromaticContact CD1-CH2 3.77Å; F112-W119 HydrophobicContact CD1-CH2 3.77Å; F112-W119 AromaticContact CD1-CZ2 3.96Å; F112-W119 HydrophobicContact CD1-CZ2 3.96Å; F112-W119 AromaticContact CD1-CZ3 3.99Å; F112-W119 HydrophobicContact CD1-CZ3 3.99Å; F112-W119 HydrophobicContact CE1-CE3 4.47Å; F112-W119 HydrophobicContact CE1-CZ3 4.31Å; F112-W119 HydrophobicContact CG-CH2 4.43Å; W119-F121 AromaticContact CE3-CD1 3.86Å; W119-F121 HydrophobicContact CE3-CD1 3.86Å; W119-F121 HydrophobicContact CE3-CE1 4.37Å; W119-F121 HydrophobicContact CH2-CE1 4.49Å; W119-F121 AromaticContact CZ3-CD1 3.69Å; W119-F121 HydrophobicContact CZ3-CD1 3.69Å; W119-F121 AromaticContact CZ3-CE1 3.73Å; W119-F121 HydrophobicContact CZ3-CE1 3.73Å; W119-R135 VanDerWaalsContact CE3-C 3.49Å; W119-R135 VanDerWaalsContact CH2-O 3.28Å; W119-R135 WeakPolarHBondContact CH2-O 3.34Å; W119-R135 VanDerWaalsContact CZ3-O 3.31Å; W119-R135 WeakPolarHBondContact CZ3-O 3.33Å; W119-R135 CarbonylContact O-C 3.47Å; W119-R135 WeakPolarHBondContact O-CA 3.42Å; W119-D136 HydrophobicContact CD2-CB 3.68Å; W119-D136 VanDerWaalsContact CE2-CA 3.48Å; W119-D136 HydrophobicContact CE3-CB 4.36Å; W119-D136 VanDerWaalsContact CE3-N 3.33Å; W119-D136 HydrophobicContact CG-CB 3.8Å; W119-D136 HydrophobicContact CZ2-CB 4.11Å; W119-D136 PolarHBondContact N-OD2 3.48Å; W119-D136 VanDerWaalsContact N-OD2 3.12Å; W119-D136 PolarHBondContact O-N 2.82Å; W119-L178 HydrophobicContact CH2-CD2 3.94Å; W119-L178 HydrophobicContact CZ3-CD2 4.05Å; W119-W199 HydrophobicContact CH2-CH2 4.33Å; W119-W199 AromaticContact CH2-CZ2 3.95Å; W119-W199 HydrophobicContact CH2-CZ2 3.95Å; W119-W199 AromaticContact CZ2-CH2 3.99Å; W119-W199 HydrophobicContact CZ2-CH2 3.99Å; W119-W199 AromaticContact CZ2-CZ2 3.95Å; W119-W199 HydrophobicContact CZ2-CZ2 3.95Å |
| 120 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.2 | 157.7 | 64.1 | 0 | 0 | 0 | 0 | 109.2 | N76 G134 S142 | N76-S120 CarbonylContact C-O 3.57Å; N76-S120 PolarHBondContact N-O 3.44Å; N76-S120 PolarHBondContact ND2-OG 3.48Å; N76-S120 PolarHBondContact O-N 2.61Å; S120-G134 VanDerWaalsContact CA-O 3.31Å; S120-G134 WeakPolarHBondContact CA-O 3.32Å; S120-S142 PolarHBondContact OG-O 2.73Å |
| 121 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.5 | -175.6 | 79.9 | -88.6 | 0 | 0 | 0 | 113.4 | F73 L74 W75 F112 W119 W132 F133 G134 L178 | F73-F121 HydrophobicContact CE2-CB 3.83Å; F73-F121 AromaticContact CE2-CD2 3.91Å; F73-F121 HydrophobicContact CE2-CD2 3.91Å; F73-F121 HydrophobicContact CE2-CG 4.15Å; F73-F121 HydrophobicContact CZ-CB 4.31Å; L74-F121 CarbonylContact O-C 3.58Å; L74-F121 VanDerWaalsContact O-CA 3.24Å; L74-F121 WeakPolarHBondContact O-CA 3.25Å; L74-F121 WeakPolarHBondContact O-CB 3.42Å; W75-F121 HydrophobicContact CE3-CB 3.84Å; W75-F121 HydrophobicContact CZ3-CB 4.2Å; F112-F121 HydrophobicContact CD1-CD1 4.18Å; F112-F121 AromaticContact CD1-CE1 3.83Å; F112-F121 HydrophobicContact CD1-CE1 3.83Å; F112-F121 HydrophobicContact CD2-CE1 4.3Å; F112-F121 HydrophobicContact CD2-CZ 4.22Å; F112-F121 AromaticContact CE1-CD1 3.36Å; F112-F121 HydrophobicContact CE1-CD1 3.36Å; F112-F121 HydrophobicContact CE1-CD2 4.49Å; F112-F121 AromaticContact CE1-CE1 3.32Å; F112-F121 HydrophobicContact CE1-CE1 3.32Å; F112-F121 HydrophobicContact CE1-CE2 4.48Å; F112-F121 AromaticContact CE1-CG 3.98Å; F112-F121 HydrophobicContact CE1-CG 3.98Å; F112-F121 AromaticContact CE1-CZ 3.94Å; F112-F121 HydrophobicContact CE1-CZ 3.94Å; F112-F121 HydrophobicContact CE2-CD1 4.49Å; F112-F121 AromaticContact CE2-CE1 3.86Å; F112-F121 HydrophobicContact CE2-CE1 3.86Å; F112-F121 HydrophobicContact CE2-CE2 4.01Å; F112-F121 AromaticContact CE2-CZ 3.6Å; F112-F121 HydrophobicContact CE2-CZ 3.6Å; F112-F121 HydrophobicContact CG-CE1 4.3Å; F112-F121 AromaticContact CZ-CD1 3.56Å; F112-F121 HydrophobicContact CZ-CD1 3.56Å; F112-F121 AromaticContact CZ-CD2 3.88Å; F112-F121 HydrophobicContact CZ-CD2 3.88Å; F112-F121 AromaticContact CZ-CE1 3.34Å; F112-F121 HydrophobicContact CZ-CE1 3.34Å; F112-F121 AromaticContact CZ-CE2 3.71Å; F112-F121 HydrophobicContact CZ-CE2 3.71Å; F112-F121 AromaticContact CZ-CG 3.82Å; F112-F121 HydrophobicContact CZ-CG 3.82Å; F112-F121 AromaticContact CZ-CZ 3.44Å; F112-F121 HydrophobicContact CZ-CZ 3.44Å; F112-F121 VanDerWaalsContact CZ-CZ 3.44Å; W119-F121 AromaticContact CE3-CD1 3.86Å; W119-F121 HydrophobicContact CE3-CD1 3.86Å; W119-F121 HydrophobicContact CE3-CE1 4.37Å; W119-F121 HydrophobicContact CH2-CE1 4.49Å; W119-F121 AromaticContact CZ3-CD1 3.69Å; W119-F121 HydrophobicContact CZ3-CD1 3.69Å; W119-F121 AromaticContact CZ3-CE1 3.73Å; W119-F121 HydrophobicContact CZ3-CE1 3.73Å; F121-W132 HydrophobicContact CE2-CB 4.01Å; F121-W132 HydrophobicContact CZ-CB 4.49Å; F121-F133 WeakPolarHBondContact O-CA 3.37Å; F121-F133 WeakPolarHBondContact O-CB 3.25Å; F121-G134 PolarHBondContact N-O 3.15Å; F121-G134 VanDerWaalsContact N-O 3.15Å; F121-G134 PolarHBondContact O-N 3.01Å; F121-L178 HydrophobicContact CE1-CD1 4.33Å; F121-L178 HydrophobicContact CE1-CD2 3.5Å; F121-L178 HydrophobicContact CZ-CD1 4.07Å; F121-L178 HydrophobicContact CZ-CD2 3.89Å |
| 122 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.1 | 167.9 | -53.3 | 166.9 | 0 | 0 | 0 | 107.6 | I4 C6 F49 L74 L131 W132 F133 L143 L156 | I4-I122 HydrophobicContact CD1-CD1 4.29Å; I4-I122 HydrophobicContact CD1-CG1 4.22Å; I4-I122 HydrophobicContact CG1-CD1 4.46Å; C6-I122 HydrophobicContact CB-CD1 3.79Å; C6-I122 HydrophobicContact CB-CG2 3.87Å; F49-I122 HydrophobicContact CE1-CG2 4.47Å; L74-I122 HydrophobicContact CB-CB 4.18Å; L74-I122 HydrophobicContact CD1-CB 4.38Å; L74-I122 HydrophobicContact CD1-CD1 4.27Å; L74-I122 PolarHBondContact N-O 2.61Å; L74-I122 PolarHBondContact O-N 3.09Å; I122-L131 HydrophobicContact CG2-CD1 3.65Å; I122-L131 HydrophobicContact CG2-CG 4.41Å; I122-W132 CarbonylContact C-O 3.56Å; I122-W132 WeakPolarHBondContact CA-O 3.38Å; I122-F133 HydrophobicContact CG1-CB 4.48Å; I122-L143 HydrophobicContact CD1-CD1 4.41Å; I122-L143 HydrophobicContact CG1-CD1 4.44Å; I122-L156 HydrophobicContact CD1-CB 3.69Å; I122-L156 HydrophobicContact CD1-CD1 4.36Å; I122-L156 HydrophobicContact CG1-CB 4.3Å; I122-L156 HydrophobicContact CG1-CD1 4.17Å; I122-L156 HydrophobicContact CG2-CD1 4.31Å |
| 123 | Y | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 119.3 | -179.3 | 176.1 | -127.1 | 0 | 0 | 0 | 110.8 | N71 V72 F73 F96 L99 Q125 W132 | N71-Y123 HydrophobicContact CB-CE2 3.92Å; V72-Y123 CarbonylContact O-C 3.58Å; V72-Y123 WeakPolarHBondContact O-CA 3.45Å; V72-Y123 WeakPolarHBondContact O-CD2 3.43Å; F73-Y123 HydrophobicContact CB-CD2 4.16Å; F73-Y123 HydrophobicContact CD2-CD2 4.14Å; F73-Y123 HydrophobicContact CD2-CG 4.4Å; F96-Y123 HydrophobicContact CD2-CE2 4.47Å; F96-Y123 HydrophobicContact CE2-CD2 4.43Å; F96-Y123 AromaticContact CE2-CE2 3.97Å; F96-Y123 HydrophobicContact CE2-CE2 3.97Å; L99-Y123 HydrophobicContact CD1-CD1 4.09Å; L99-Y123 HydrophobicContact CD1-CE1 3.93Å; L99-Y123 HydrophobicContact CD2-CD1 3.56Å; L99-Y123 HydrophobicContact CD2-CD2 3.51Å; L99-Y123 HydrophobicContact CD2-CE1 3.81Å; L99-Y123 HydrophobicContact CD2-CE2 3.78Å; L99-Y123 HydrophobicContact CD2-CG 3.39Å; L99-Y123 HydrophobicContact CG-CD1 3.87Å; L99-Y123 HydrophobicContact CG-CD2 4.23Å; L99-Y123 HydrophobicContact CG-CE1 3.61Å; L99-Y123 HydrophobicContact CG-CE2 4.01Å; L99-Y123 HydrophobicContact CG-CG 4.17Å; Y123-Q125 HydrophobicContact CD1-CG 3.85Å; Y123-Q125 HydrophobicContact CE1-CG 3.19Å; Y123-W132 HydrophobicContact CD1-CB 4.34Å; Y123-W132 AromaticContact CD1-CD1 3.96Å; Y123-W132 HydrophobicContact CD1-CG 4.34Å; Y123-W132 PolarHBondContact N-O 3.01Å; Y123-W132 PolarHBondContact O-N 3.42Å |
| 124 | Y | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.9 | 175.9 | 171.3 | -108.4 | 0 | 0 | 0 | 110.1 | K40 Y45 F49 N71 V72 A126 Y130 L183 | K40-Y124 HydrophobicContact CG-CE1 4.42Å; Y45-Y124 HydrophobicContact CE2-CE2 4.38Å; Y45-Y124 WeakPolarHBondContact OH-CE2 3.41Å; Y45-Y124 PolarHBondContact OH-OH 2.91Å; F49-Y124 HydrophobicContact CZ-CD1 4.24Å; F49-Y124 HydrophobicContact CZ-CD2 4.41Å; F49-Y124 AromaticContact CZ-CG 3.82Å; F49-Y124 HydrophobicContact CZ-CG 3.82Å; N71-Y124 CarbonylContact C-O 3.56Å; N71-Y124 WeakPolarHBondContact CA-O 3.32Å; N71-Y124 WeakPolarHBondContact CB-O 3.44Å; V72-Y124 HydrophobicContact CB-CD1 4.43Å; V72-Y124 HydrophobicContact CG2-CD1 4.19Å; V72-Y124 PolarHBondContact N-O 3.23Å; V72-Y124 PolarHBondContact O-N 3.35Å; Y124-A126 HydrophobicContact CE1-CB 3.86Å; Y124-Y130 WeakPolarHBondContact CA-O 3.47Å; Y124-L183 HydrophobicContact CD2-CD1 4.08Å; Y124-L183 HydrophobicContact CE2-CD1 3.92Å |
| 125 | Q | 96.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 16.8 Ų | 16.8 | 13% | 0.126 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110 | 172.7 | -68.1 | -173.5 | -56.3 | 0 | 0 | 109.7 | N71 Y123 S127 S128 H129 Y130 | N71-Q125 WeakPolarHBondContact OD1-CA 3.48Å; Y123-Q125 HydrophobicContact CD1-CG 3.85Å; Y123-Q125 HydrophobicContact CE1-CG 3.19Å; Q125-S127 PolarHBondContact O-N 3.12Å; Q125-S128 VanDerWaalsContact CB-OG 3.31Å; Q125-S128 WeakPolarHBondContact CB-OG 3Å; Q125-H129 WeakPolarHBondContact O-CA 3.43Å; Q125-H129 PolarHBondContact O-N 3.11Å; Q125-Y130 PolarHBondContact N-O 3.03Å; Q125-Y130 PolarHBondContact O-N 2.87Å |
| 126 | A | 95.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 16.6 Ų | 16.6 | 18% | 0.182 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -40.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R69 N71 Y124 S128 | R69-A126 WeakPolarHBondContact O-CB 3.24Å; N71-A126 PolarHBondContact OD1-N 3.42Å; Y124-A126 HydrophobicContact CE1-CB 3.86Å; A126-S128 VanDerWaalsContact C-N 3.35Å; A126-S128 PolarHBondContact O-N 3.05Å |
| 127 | S | 94.4 | Very high | 97.5 | Very high | 112 Ų | 112 | 16.9 Ų | 16.9 | 78% | 0.783 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.2 | -175.8 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | Q125 | Q125-S127 PolarHBondContact O-N 3.12Š|
| 128 | S | 95.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 24% | 0.238 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -7.2 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Q125 A126 Y130 | Q125-S128 VanDerWaalsContact CB-OG 3.31Å; Q125-S128 WeakPolarHBondContact CB-OG 3Å; A126-S128 VanDerWaalsContact C-N 3.35Å; A126-S128 PolarHBondContact O-N 3.05Å; S128-Y130 VanDerWaalsContact O-CD1 3.3Å; S128-Y130 WeakPolarHBondContact O-CD1 3.47Å; S128-Y130 WeakPolarHBondContact O-CE1 3.38Å; S128-Y130 PolarHBondContact O-N 3.27Å; S128-Y130 VanDerWaalsContact OG-CD2 3.25Å; S128-Y130 WeakPolarHBondContact OG-CD2 3.33Å |
| 129 | H | 96.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 17.5 Ų | 17.5 | 16% | 0.157 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 27.4 | -172.4 | -53.1 | -95.5 | 0 | 0 | 0 | 113.3 | D42 Y45 Q125 L183 K184 | D42-H129 IonicContact OD2-CE1 3.55Å; D42-H129 PolarHBondContact OD2-CE1 2.96Å; Y45-H129 HydrophobicContact CE1-CB 4.25Å; Y45-H129 AromaticContact CE1-ND1 3.69Å; Y45-H129 AromaticContact CZ-ND1 3.63Å; Y45-H129 WeakPolarHBondContact OH-CB 3.33Å; Y45-H129 PolarHBondContact OH-ND1 3.15Å; Q125-H129 WeakPolarHBondContact O-CA 3.43Å; Q125-H129 PolarHBondContact O-N 3.11Å; H129-L183 WeakPolarHBondContact O-CB 3.24Å; H129-L183 WeakPolarHBondContact O-CG 3.35Å; H129-L183 PolarHBondContact O-N 2.95Å; H129-K184 HydrophobicContact CB-CB 4.12Å |
| 130 | Y | 97.2 | Very high | 97.5 | Very high | 58 Ų | 58 | 17.5 Ų | 17.5 | 23% | 0.227 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.6 | 179.5 | -64.5 | -20 | 0 | 0 | 0 | 111.5 | Y124 Q125 S128 R180 I181 D182 | Y124-Y130 WeakPolarHBondContact CA-O 3.47Å; Q125-Y130 PolarHBondContact N-O 3.03Å; Q125-Y130 PolarHBondContact O-N 2.87Å; S128-Y130 VanDerWaalsContact O-CD1 3.3Å; S128-Y130 WeakPolarHBondContact O-CD1 3.47Å; S128-Y130 WeakPolarHBondContact O-CE1 3.38Å; S128-Y130 PolarHBondContact O-N 3.27Å; S128-Y130 VanDerWaalsContact OG-CD2 3.25Å; S128-Y130 WeakPolarHBondContact OG-CD2 3.33Å; Y130-R180 HydrophobicContact CG-CG 4.3Å; Y130-I181 WeakPolarHBondContact CA-O 3.33Å; Y130-D182 HydrophobicContact CD1-CB 4.05Å; Y130-D182 HydrophobicContact CE1-CB 3.89Å |
| 131 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 109.9 | 170.8 | -171.9 | 68.3 | 0 | 0 | 0 | 109.2 | V8 F49 I122 F154 L156 R180 I181 L183 | V8-L131 HydrophobicContact CG2-CD2 4.01Å; F49-L131 HydrophobicContact CE1-CD1 4.21Å; I122-L131 HydrophobicContact CG2-CD1 3.65Å; I122-L131 HydrophobicContact CG2-CG 4.41Å; L131-F154 HydrophobicContact CD2-CD1 4.29Å; L131-F154 HydrophobicContact CD2-CE1 3.79Å; L131-L156 HydrophobicContact CD2-CD1 4.23Å; L131-R180 CarbonylContact O-C 3.59Å; L131-R180 WeakPolarHBondContact O-CA 3.41Å; L131-I181 PolarHBondContact N-O 2.92Å; L131-I181 PolarHBondContact O-N 3.2Å; L131-L183 HydrophobicContact CB-CD1 4.23Å; L131-L183 HydrophobicContact CB-CD2 4.05Å; L131-L183 HydrophobicContact CB-CG 4.13Å; L131-L183 HydrophobicContact CD2-CD2 4.25Å |
| 132 | W | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.8 | 175.8 | -62.5 | 83.4 | 0 | 0 | 0 | 110.6 | E105 I108 F121 I122 Y123 F179 R180 Y197 | E105-W132 HydrophobicContact CB-CH2 4.06Å; E105-W132 HydrophobicContact CG-CH2 3.83Å; E105-W132 HydrophobicContact CG-CZ2 4Å; I108-W132 HydrophobicContact CD1-CZ2 4.1Å; F121-W132 HydrophobicContact CE2-CB 4.01Å; F121-W132 HydrophobicContact CZ-CB 4.49Å; I122-W132 CarbonylContact C-O 3.56Å; I122-W132 WeakPolarHBondContact CA-O 3.38Å; Y123-W132 HydrophobicContact CD1-CB 4.34Å; Y123-W132 AromaticContact CD1-CD1 3.96Å; Y123-W132 HydrophobicContact CD1-CG 4.34Å; Y123-W132 PolarHBondContact N-O 3.01Å; Y123-W132 PolarHBondContact O-N 3.42Å; W132-F179 WeakPolarHBondContact CA-O 3.16Å; W132-R180 HydrophobicContact CD2-CB 4.07Å; W132-R180 HydrophobicContact CD2-CG 3.97Å; W132-R180 HydrophobicContact CE3-CB 3.94Å; W132-R180 HydrophobicContact CE3-CG 4.33Å; W132-R180 HydrophobicContact CG-CG 4.41Å; W132-R180 HydrophobicContact CH2-CB 4.43Å; W132-R180 HydrophobicContact CH2-CG 4.49Å; W132-R180 HydrophobicContact CZ2-CG 4.15Å; W132-R180 HydrophobicContact CZ3-CB 4.13Å; W132-Y197 HydrophobicContact CE3-CE2 4.37Å; W132-Y197 HydrophobicContact CH2-CD2 4.4Å; W132-Y197 HydrophobicContact CH2-CE1 4.41Å; W132-Y197 AromaticContact CH2-CE2 3.7Å; W132-Y197 HydrophobicContact CH2-CE2 3.7Å; W132-Y197 AromaticContact CH2-CZ 3.68Å; W132-Y197 AromaticContact CZ3-CD2 3.7Å; W132-Y197 HydrophobicContact CZ3-CD2 3.7Å; W132-Y197 AromaticContact CZ3-CE2 3.4Å; W132-Y197 HydrophobicContact CZ3-CE2 3.4Å; W132-Y197 HydrophobicContact CZ3-CG 4.4Å; W132-Y197 AromaticContact CZ3-CZ 3.84Å |
| 133 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 161.1 | 175.3 | 59.1 | -84.1 | 0 | 0 | 0 | 110.7 | F121 I122 L143 W145 F154 L156 V173 F179 I181 L194 | F121-F133 WeakPolarHBondContact O-CA 3.37Å; F121-F133 WeakPolarHBondContact O-CB 3.25Å; I122-F133 HydrophobicContact CG1-CB 4.48Å; F133-L143 HydrophobicContact CB-CD2 4.24Å; F133-L143 HydrophobicContact CD2-CD2 4.22Å; F133-W145 HydrophobicContact CE2-CE3 4.08Å; F133-W145 HydrophobicContact CE2-CZ3 4.36Å; F133-F154 HydrophobicContact CE1-CE1 4.5Å; F133-F154 HydrophobicContact CE1-CZ 4.05Å; F133-F154 AromaticContact CZ-CZ 4Å; F133-F154 HydrophobicContact CZ-CZ 4Å; F133-L156 HydrophobicContact CB-CD1 3.78Å; F133-L156 HydrophobicContact CD1-CD1 3.57Å; F133-L156 HydrophobicContact CD2-CD1 4.02Å; F133-L156 HydrophobicContact CD2-CD2 3.75Å; F133-L156 HydrophobicContact CE1-CD1 4.1Å; F133-L156 HydrophobicContact CE2-CD1 4.49Å; F133-L156 HydrophobicContact CE2-CD2 3.85Å; F133-L156 HydrophobicContact CG-CD1 3.51Å; F133-L156 HydrophobicContact CG-CD2 4.15Å; F133-L156 HydrophobicContact CG-CG 4.49Å; F133-L156 HydrophobicContact CZ-CD2 4.33Å; F133-V173 HydrophobicContact CD2-CG1 4.16Å; F133-V173 HydrophobicContact CE2-CG1 4.11Å; F133-V173 HydrophobicContact CE2-CG2 4.45Å; F133-F179 HydrophobicContact CD1-CB 4.29Å; F133-F179 HydrophobicContact CD2-CB 4Å; F133-F179 HydrophobicContact CD2-CD2 4.34Å; F133-F179 HydrophobicContact CE1-CB 3.82Å; F133-F179 HydrophobicContact CE2-CB 3.49Å; F133-F179 VanDerWaalsContact CE2-CB 3.49Å; F133-F179 AromaticContact CE2-CD2 3.97Å; F133-F179 HydrophobicContact CE2-CD2 3.97Å; F133-F179 AromaticContact CE2-CG 3.89Å; F133-F179 HydrophobicContact CE2-CG 3.89Å; F133-F179 HydrophobicContact CG-CB 4.38Å; F133-F179 HydrophobicContact CZ-CB 3.4Å; F133-F179 VanDerWaalsContact CZ-CB 3.4Å; F133-F179 HydrophobicContact CZ-CG 4.13Å; F133-F179 PolarHBondContact N-O 3.44Å; F133-F179 PolarHBondContact O-N 2.83Å; F133-I181 HydrophobicContact CE1-CD1 3.77Å; F133-I181 HydrophobicContact CE1-CG1 4Å; F133-I181 HydrophobicContact CZ-CD1 4.22Å; F133-L194 HydrophobicContact CZ-CD2 4.08Å |
| 134 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | -173.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S120 F121 | S120-G134 VanDerWaalsContact CA-O 3.31Å; S120-G134 WeakPolarHBondContact CA-O 3.32Å; F121-G134 PolarHBondContact N-O 3.15Å; F121-G134 VanDerWaalsContact N-O 3.15Å; F121-G134 PolarHBondContact O-N 3.01Å |
| 135 | R | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158.2 | -178 | -57.7 | 169.2 | 68.6 | -168.2 | 5 | 109.2 | W119 G139 R141 L143 E172 V173 | W119-R135 VanDerWaalsContact CE3-C 3.49Å; W119-R135 VanDerWaalsContact CH2-O 3.28Å; W119-R135 WeakPolarHBondContact CH2-O 3.34Å; W119-R135 VanDerWaalsContact CZ3-O 3.31Å; W119-R135 WeakPolarHBondContact CZ3-O 3.33Å; W119-R135 CarbonylContact O-C 3.47Å; W119-R135 WeakPolarHBondContact O-CA 3.42Å; R135-G139 PolarHBondContact NH2-O 3Å; R135-R141 PolarHBondContact NE-O 2.84Å; R135-R141 PolarHBondContact NH2-O 2.92Å; R135-L143 HydrophobicContact CG-CB 3.87Å; R135-L143 HydrophobicContact CG-CD2 4.48Å; R135-E172 IonicContact CZ-OE1 3.4Å; R135-E172 IonicContact NH1-OE1 3.84Å; R135-E172 PolarHBondContact NH1-OE1 3.26Å; R135-E172 IonicContact NH2-OE1 3.77Å; R135-E172 PolarHBondContact NH2-OE1 3.15Å; R135-V173 WeakPolarHBondContact CD-O 3.41Å; R135-V173 PolarHBondContact NH1-O 2.95Å |
| 136 | D | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | trans | -59 | 162.6 | 174 | 75.9 | 92.1 | 0 | 0 | 0 | 111.8 | W119 F138 G139 R140 | W119-D136 HydrophobicContact CD2-CB 3.68Å; W119-D136 VanDerWaalsContact CE2-CA 3.48Å; W119-D136 HydrophobicContact CE3-CB 4.36Å; W119-D136 VanDerWaalsContact CE3-N 3.33Å; W119-D136 HydrophobicContact CG-CB 3.8Å; W119-D136 HydrophobicContact CZ2-CB 4.11Å; W119-D136 PolarHBondContact N-OD2 3.48Å; W119-D136 VanDerWaalsContact N-OD2 3.12Å; W119-D136 PolarHBondContact O-N 2.82Å; D136-F138 PolarHBondContact O-N 2.68Å; D136-F138 PolarHBondContact OD1-N 2.64Å; D136-G139 PolarHBondContact O-N 3.44Å; D136-G139 PolarHBondContact OD1-N 3.31Å; D136-R140 IonicContact OD1-CZ 3.43Å; D136-R140 VanDerWaalsContact OD1-CZ 3.24Å; D136-R140 IonicContact OD1-NE 3.54Å; D136-R140 PolarHBondContact OD1-NE 3.32Å; D136-R140 IonicContact OD1-NH2 2.79Å; D136-R140 PolarHBondContact OD1-NH2 2.82Å; D136-R140 WeakPolarHBondContact OD2-CB 3.34Å; D136-R140 PolarHBondContact OD2-N 2.92Å; D136-R140 IonicContact OD2-NE 2.68Å | ||
| 137 | F | 96.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 15.8 Ų | 15.8 | 19% | 0.189 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -35.3 | -175.4 | 176.5 | -108.1 | 0 | 0 | 0 | 114.3 | W199 K239 P240 V241 | F137-W199 HydrophobicContact CB-CD2 4.47Å; F137-W199 HydrophobicContact CB-CZ2 4.31Å; F137-W199 HydrophobicContact CD2-CB 4.23Å; F137-W199 HydrophobicContact CD2-CD2 4.06Å; F137-W199 AromaticContact CD2-CG 3.89Å; F137-W199 HydrophobicContact CD2-CG 3.89Å; F137-W199 HydrophobicContact CE2-CB 4.44Å; F137-K239 HydrophobicContact CD2-CG 4.13Å; F137-K239 HydrophobicContact CE2-CB 4.27Å; F137-K239 HydrophobicContact CE2-CD 3.86Å; F137-K239 HydrophobicContact CE2-CG 3.63Å; F137-K239 HydrophobicContact CZ-CD 4.28Å; F137-K239 HydrophobicContact CZ-CG 4.32Å; F137-P240 HydrophobicContact CB-CG 3.7Å; F137-P240 HydrophobicContact CD1-CG 4.2Å; F137-P240 HydrophobicContact CG-CG 4Å; F137-V241 HydrophobicContact CD1-CG2 4.23Å; F137-V241 HydrophobicContact CE1-CG2 3.53Å; F137-V241 HydrophobicContact CZ-CG2 4.03Å |
| 138 | F | 96.8 | Very high | 96 | Very high | 15 Ų | 15 | 11.4 Ų | 11.4 | 7% | 0.066 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -12 | 178.6 | -58.4 | -67.2 | 0 | 0 | 0 | 113.1 | D136 R140 V241 S530 L534 E555 V558 | D136-F138 PolarHBondContact O-N 2.68Å; D136-F138 PolarHBondContact OD1-N 2.64Å; F138-R140 HydrophobicContact CB-CG 3.97Å; F138-V241 HydrophobicContact CE2-CG1 4.5Å; F138-V241 HydrophobicContact CZ-CG1 3.8Å; F138-S530 WeakPolarHBondContact O-CA 3.32Å; F138-S530 WeakPolarHBondContact O-CB 3.47Å; F138-L534 HydrophobicContact CB-CD1 4.19Å; F138-L534 WeakPolarHBondContact O-CD1 3.2Å; F138-E555 HydrophobicContact CE2-CG 4.29Å; F138-V558 HydrophobicContact CE1-CB 4.44Å; F138-V558 HydrophobicContact CE1-CG1 3.99Å; F138-V558 HydrophobicContact CE1-CG2 4.03Å; F138-V558 HydrophobicContact CE2-CG2 4.35Å; F138-V558 HydrophobicContact CZ-CB 3.89Å; F138-V558 HydrophobicContact CZ-CG1 3.85Å; F138-V558 HydrophobicContact CZ-CG2 3.6Å |
| 139 | G | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | 64.2 | 44.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | R135 D136 R141 L534 | R135-G139 PolarHBondContact NH2-O 3Å; D136-G139 PolarHBondContact O-N 3.44Å; D136-G139 PolarHBondContact OD1-N 3.31Å; G139-R141 VanDerWaalsContact C-N 3.31Å; G139-R141 PolarHBondContact O-N 2.99Å; G139-L534 VanDerWaalsContact O-CB 3.25Å; G139-L534 WeakPolarHBondContact O-CB 3.38Å | ||
| 140 | R | 97.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | trans | -69.7 | -26.8 | -177.6 | -75.5 | 163.6 | -67.7 | -175.6 | 0.4 | 113.1 | G117 P118 D136 F138 L534 F550 L553 E555 | G117-R140 VanDerWaalsContact C-NH2 3.31Å; G117-R140 PolarHBondContact O-NH2 2.94Å; P118-R140 HydrophobicContact CB-CB 3.51Å; P118-R140 HydrophobicContact CB-CG 4.36Å; D136-R140 IonicContact OD1-CZ 3.43Å; D136-R140 VanDerWaalsContact OD1-CZ 3.24Å; D136-R140 IonicContact OD1-NE 3.54Å; D136-R140 PolarHBondContact OD1-NE 3.32Å; D136-R140 IonicContact OD1-NH2 2.79Å; D136-R140 PolarHBondContact OD1-NH2 2.82Å; D136-R140 WeakPolarHBondContact OD2-CB 3.34Å; D136-R140 PolarHBondContact OD2-N 2.92Å; D136-R140 IonicContact OD2-NE 2.68Å; F138-R140 HydrophobicContact CB-CG 3.97Å; R140-L534 HydrophobicContact CG-CD1 4.02Å; R140-L534 HydrophobicContact CG-CD2 4.41Å; R140-F550 HydrophobicContact CB-CD2 4.01Å; R140-F550 HydrophobicContact CB-CE2 3.9Å; R140-F550 HydrophobicContact CG-CD2 3.81Å; R140-F550 HydrophobicContact CG-CE2 4.13Å; R140-F550 HydrophobicContact CG-CG 4.41Å; R140-L553 HydrophobicContact CG-CD1 4.37Å; R140-L553 PolarHBondContact NH1-O 3.34Å; R140-E555 IonicContact CZ-OE1 2.81Å; R140-E555 VanDerWaalsContact CZ-OE1 3.26Å; R140-E555 IonicContact NH1-OE1 2.69Å; R140-E555 PolarHBondContact NH1-OE1 3.17Å; R140-E555 IonicContact NH1-OE2 3.67Å; R140-E555 PolarHBondContact NH1-OE2 2.99Å; R140-E555 IonicContact NH2-OE1 3.78Å; R140-E555 PolarHBondContact NH2-OE1 2.78Å | ||
| 141 | R | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -105.3 | 135.4 | 175 | -63.5 | -69.6 | 176.3 | -131.2 | -9 | 110.3 | N76 P118 R135 G139 D538 E547 A548 | N76-R141 VanDerWaalsContact O-CG 3.3Å; N76-R141 WeakPolarHBondContact O-CG 3.42Å; P118-R141 HydrophobicContact CB-CG 4.07Å; R135-R141 PolarHBondContact NE-O 2.84Å; R135-R141 PolarHBondContact NH2-O 2.92Å; G139-R141 VanDerWaalsContact C-N 3.31Å; G139-R141 PolarHBondContact O-N 2.99Å; R141-D538 WeakPolarHBondContact CD-OD1 3.3Å; R141-D538 IonicContact CZ-OD1 3.96Å; R141-D538 IonicContact NH1-OD1 3.7Å; R141-D538 PolarHBondContact NH1-OD1 2.72Å; R141-E547 IonicContact CZ-OE2 2.79Å; R141-E547 IonicContact NE-OE2 3.9Å; R141-E547 IonicContact NH2-OE1 2.74Å; R141-E547 IonicContact NH2-OE2 2.67Å; R141-E547 PolarHBondContact NH2-OE2 3.03Å; R141-A548 PolarHBondContact NH1-O 3.18Å; R141-A548 PolarHBondContact NH2-O 2.91Å |
| 142 | S | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -71.8 | 143.8 | 179.3 | -170.6 | 0 | 0 | 0 | 0 | 111 | S120 S158 E172 D538 R539 | S120-S142 PolarHBondContact OG-O 2.73Å; S142-S158 WeakPolarHBondContact CB-O 3.42Å; S142-E172 PolarHBondContact OG-OE1 3.06Å; S142-D538 PolarHBondContact N-OD2 2.76Å; S142-R539 PolarHBondContact OG-NH1 2.67Å | ||
| 143 | L | 98.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -148.8 | 127.5 | 164.9 | -173.1 | 66.9 | 0 | 0 | 0 | 106.7 | I4 I122 F133 R135 L156 E172 V173 | I4-L143 HydrophobicContact CD1-CD1 4.35Å; I122-L143 HydrophobicContact CD1-CD1 4.41Å; I122-L143 HydrophobicContact CG1-CD1 4.44Å; F133-L143 HydrophobicContact CB-CD2 4.24Å; F133-L143 HydrophobicContact CD2-CD2 4.22Å; R135-L143 HydrophobicContact CG-CB 3.87Å; R135-L143 HydrophobicContact CG-CD2 4.48Å; L143-L156 HydrophobicContact CD1-CB 4.45Å; L143-L156 HydrophobicContact CD2-CD2 4.48Å; L143-L156 HydrophobicContact CG-CD2 4.49Å; L143-E172 PolarHBondContact N-OE1 2.93Å; L143-V173 HydrophobicContact CB-CB 4.3Å; L143-V173 HydrophobicContact CB-CG2 4.23Å; L143-V173 HydrophobicContact CD2-CB 4.37Å; L143-V173 HydrophobicContact CD2-CG1 4.48Å; L143-V173 HydrophobicContact CD2-CG2 4.06Å; L143-V173 HydrophobicContact CG-CB 4.36Å; L143-V173 HydrophobicContact CG-CG2 3.84Å; L143-V173 WeakPolarHBondContact O-CB 3.39Å; L143-V173 WeakPolarHBondContact O-CG2 3.34Å; L143-V173 PolarHBondContact O-N 3.22Å | ||
| 144 | L | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.4 | -179.6 | -56.9 | 179.3 | 0 | 0 | 0 | 109.1 | L156 S157 G160 W170 Q171 E172 R539 | L144-L156 CarbonylContact O-C 3.58Å; L144-L156 VanDerWaalsContact O-CA 3.28Å; L144-L156 WeakPolarHBondContact O-CA 3.4Å; L144-S157 WeakPolarHBondContact CA-O 3.29Å; L144-S157 WeakPolarHBondContact CB-O 3.31Å; L144-S157 PolarHBondContact N-O 2.9Å; L144-S157 PolarHBondContact O-N 2.74Å; L144-G160 VanDerWaalsContact CD1-N 3.29Å; L144-W170 HydrophobicContact CB-CD2 4.44Å; L144-W170 HydrophobicContact CB-CE3 3.56Å; L144-W170 HydrophobicContact CB-CZ3 4.18Å; L144-W170 HydrophobicContact CD1-CB 4.13Å; L144-W170 HydrophobicContact CD1-CD2 4.42Å; L144-W170 HydrophobicContact CD1-CE3 4.25Å; L144-W170 HydrophobicContact CD1-CG 4.41Å; L144-Q171 CarbonylContact C-O 3.5Å; L144-Q171 WeakPolarHBondContact CA-O 3.41Å; L144-E172 HydrophobicContact CD2-CB 4.21Å; L144-E172 HydrophobicContact CD2-CG 4.39Å; L144-E172 VanDerWaalsContact CD2-OE2 3.32Å; L144-E172 WeakPolarHBondContact CD2-OE2 3.27Å; L144-R539 VanDerWaalsContact CD2-NH1 3.29Å |
| 145 | W | 95.4 | Very high | 90 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 153.9 | 161.7 | 56.2 | 45.7 | 0 | 0 | 0 | 110.5 | F133 F147 F154 C155 L156 Q171 V173 P174 F179 L194 I218 L222 | F133-W145 HydrophobicContact CE2-CE3 4.08Å; F133-W145 HydrophobicContact CE2-CZ3 4.36Å; W145-F147 HydrophobicContact CB-CE2 4.12Å; W145-F147 HydrophobicContact CB-CZ 4.2Å; W145-F147 AromaticContact CD1-CE2 3.38Å; W145-F147 AromaticContact CD2-CE2 3.93Å; W145-F147 HydrophobicContact CD2-CE2 3.93Å; W145-F147 HydrophobicContact CD2-CZ 4.09Å; W145-F147 HydrophobicContact CE3-CZ 4.48Å; W145-F147 HydrophobicContact CG-CD2 4.48Å; W145-F147 AromaticContact CG-CE2 3.58Å; W145-F147 HydrophobicContact CG-CE2 3.58Å; W145-F147 AromaticContact CG-CZ 3.94Å; W145-F147 HydrophobicContact CG-CZ 3.94Å; W145-F147 AromaticContact NE1-CE2 3.66Å; W145-F154 HydrophobicContact CB-CE2 4.04Å; W145-C155 CarbonylContact C-O 3.58Å; W145-C155 VanDerWaalsContact CA-O 3.26Å; W145-C155 WeakPolarHBondContact CA-O 3.2Å; W145-L156 HydrophobicContact CB-CD2 4.03Å; W145-Q171 PolarHBondContact N-O 2.98Å; W145-Q171 PolarHBondContact O-N 3.39Å; W145-V173 HydrophobicContact CB-CG2 4.18Å; W145-V173 HydrophobicContact CD2-CG2 3.95Å; W145-V173 HydrophobicContact CE3-CB 4.22Å; W145-V173 HydrophobicContact CE3-CG1 4.15Å; W145-V173 HydrophobicContact CE3-CG2 3.65Å; W145-V173 HydrophobicContact CG-CG2 4.21Å; W145-V173 HydrophobicContact CZ3-CB 4.46Å; W145-V173 HydrophobicContact CZ3-CG1 4.05Å; W145-V173 HydrophobicContact CZ3-CG2 4.36Å; W145-P174 HydrophobicContact CH2-CG 3.95Å; W145-P174 HydrophobicContact CZ2-CG 4.3Å; W145-F179 HydrophobicContact CH2-CE1 4.5Å; W145-F179 HydrophobicContact CH2-CZ 4.37Å; W145-F179 HydrophobicContact CZ3-CE1 4.3Å; W145-F179 HydrophobicContact CZ3-CE2 4.43Å; W145-F179 HydrophobicContact CZ3-CZ 4.23Å; W145-L194 HydrophobicContact CE3-CD1 4.37Å; W145-L194 HydrophobicContact CH2-CD1 4.2Å; W145-L194 HydrophobicContact CZ3-CD1 3.9Å; W145-I218 HydrophobicContact CH2-CG2 3.93Å; W145-I218 HydrophobicContact CZ2-CG2 4.34Å; W145-L222 HydrophobicContact CZ2-CD2 3.82Å |
| 146 | H | 92.3 | Very high | 90 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 9% | 0.088 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 126.9 | 171.5 | 171.6 | -97.9 | 0 | 0 | 0 | 108.9 | S148 C155 N168 W170 | H146-S148 WeakPolarHBondContact CE1-CB 3.49Å; H146-S148 PolarHBondContact CE1-OG 3.24Å; H146-S148 VanDerWaalsContact CE1-OG 3.26Å; H146-C155 HydrophobicContact CB-CB 4.43Å; H146-C155 PolarHBondContact N-O 2.87Å; H146-C155 PolarHBondContact O-N 3.33Å; H146-N168 PolarHBondContact CD2-O 3.34Å; H146-N168 PolarHBondContact NE2-O 3.18Å; H146-W170 HydrophobicContact CB-CD2 3.64Å; H146-W170 HydrophobicContact CB-CE3 3.42Å; H146-W170 VanDerWaalsContact CB-CE3 3.42Å; H146-W170 HydrophobicContact CB-CG 4.31Å; H146-W170 HydrophobicContact CB-CH2 3.99Å; H146-W170 HydrophobicContact CB-CZ2 4.15Å; H146-W170 HydrophobicContact CB-CZ3 3.61Å |
| 147 | F | 89.1 | Confident | 90 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120 | 179.2 | -57.8 | -78.9 | 0 | 0 | 0 | 107.9 | W145 F154 I192 L194 L222 P223 F225 V226 | W145-F147 HydrophobicContact CB-CE2 4.12Å; W145-F147 HydrophobicContact CB-CZ 4.2Å; W145-F147 AromaticContact CD1-CE2 3.38Å; W145-F147 AromaticContact CD2-CE2 3.93Å; W145-F147 HydrophobicContact CD2-CE2 3.93Å; W145-F147 HydrophobicContact CD2-CZ 4.09Å; W145-F147 HydrophobicContact CE3-CZ 4.48Å; W145-F147 HydrophobicContact CG-CD2 4.48Å; W145-F147 AromaticContact CG-CE2 3.58Å; W145-F147 HydrophobicContact CG-CE2 3.58Å; W145-F147 AromaticContact CG-CZ 3.94Å; W145-F147 HydrophobicContact CG-CZ 3.94Å; W145-F147 AromaticContact NE1-CE2 3.66Å; F147-F154 AromaticContact CD1-CD2 3.67Å; F147-F154 HydrophobicContact CD1-CD2 3.67Å; F147-F154 HydrophobicContact CD1-CE2 4.31Å; F147-F154 AromaticContact CE1-CD2 3.31Å; F147-F154 HydrophobicContact CE1-CD2 3.31Å; F147-F154 AromaticContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CG 4.46Å; F147-F154 HydrophobicContact CZ-CD2 4.1Å; F147-F154 AromaticContact CZ-CE2 3.89Å; F147-F154 HydrophobicContact CZ-CE2 3.89Å; F147-I192 HydrophobicContact CD1-CD1 3.61Å; F147-I192 HydrophobicContact CE1-CD1 3.89Å; F147-I192 HydrophobicContact CE1-CG2 4.23Å; F147-L194 HydrophobicContact CZ-CD1 4.28Å; F147-L222 HydrophobicContact CD2-CD2 4.23Å; F147-L222 HydrophobicContact CE2-CD2 3.48Å; F147-L222 VanDerWaalsContact CE2-CD2 3.48Å; F147-L222 HydrophobicContact CZ-CD2 4.11Å; F147-P223 HydrophobicContact CB-CG 4.01Å; F147-P223 HydrophobicContact CD2-CG 4.31Å; F147-P223 HydrophobicContact CG-CG 4.4Å; F147-F225 HydrophobicContact CB-CE2 3.93Å; F147-F225 HydrophobicContact CB-CZ 3.84Å; F147-F225 HydrophobicContact CD1-CE2 4.45Å; F147-V226 HydrophobicContact CD1-CG2 3.65Å; F147-V226 HydrophobicContact CD2-CG2 4.33Å; F147-V226 HydrophobicContact CE1-CG1 4Å; F147-V226 HydrophobicContact CE1-CG2 3.84Å; F147-V226 HydrophobicContact CE2-CG2 4.5Å; F147-V226 HydrophobicContact CG-CG2 3.92Å; F147-V226 HydrophobicContact CZ-CG1 3.94Å; F147-V226 HydrophobicContact CZ-CG2 4.28Å |
| 148 | S | 81.3 | Confident | 90.1 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 170 | -178.8 | 47.7 | 0 | 0 | 0 | 0 | 113 | H146 L150 G151 S153 | H146-S148 WeakPolarHBondContact CE1-CB 3.49Å; H146-S148 PolarHBondContact CE1-OG 3.24Å; H146-S148 VanDerWaalsContact CE1-OG 3.26Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 2.78Å; S148-G151 PolarHBondContact O-N 3.39Å; S148-S153 PolarHBondContact N-O 2.98Å; S148-S153 VanDerWaalsContact N-O 3.11Å; S148-S153 PolarHBondContact O-N 3.47Å; S148-S153 PolarHBondContact O-OG 3.43Å; S148-S153 PolarHBondContact OG-OG 2.88Å |
| 149 | N | 72.9 | Confident | 90 | Very high | 101 Ų | 101 | 21.1 Ų | 21.1 | 54% | 0.54 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | 58.7 | 39.8 | 174.4 | -58.6 | -26.9 | 0 | 0 | 0 | 112.7 | G151 K152 S153 | N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact O-N 3.3Å; N149-K152 HydrophobicContact CB-CB 3.83Å; N149-K152 HydrophobicContact CB-CD 4.43Å; N149-K152 WeakPolarHBondContact O-CB 3.35Å; N149-K152 WeakPolarHBondContact O-CG 3.49Å; N149-K152 PolarHBondContact O-N 3.33Å; N149-K152 VanDerWaalsContact O-N 3.11Å; N149-S153 PolarHBondContact ND2-OG 2.73Å |
| 150 | L | 70.1 | Confident | 89.7 | Confident | 158 Ų | 158 | 21.1 Ų | 21.1 | 83% | 0.827 | 11% | 0.109 | S | C | * | . | G | 310 helix | trans | 52.8 | 45 | 178.1 | -60.7 | 166.1 | 0 | 0 | 0 | 112.7 | S148 | S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 2.78Å |
| 151 | G | 66.9 | Low | 89.2 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | 87.3 | 3.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S148 N149 | S148-G151 PolarHBondContact O-N 3.39Å; N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact O-N 3.3Å |
| 152 | K | 76.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 23.9 Ų | 23.9 | 47% | 0.465 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20.9 | 175.2 | -64.1 | 176.1 | -178.1 | -173.3 | 0 | 113.5 | N9 F10 N149 | N9-K152 PolarHBondContact OD1-O 3.38Å; F10-K152 PolarHBondContact N-O 2.88Å; N149-K152 HydrophobicContact CB-CB 3.83Å; N149-K152 HydrophobicContact CB-CD 4.43Å; N149-K152 WeakPolarHBondContact O-CB 3.35Å; N149-K152 WeakPolarHBondContact O-CG 3.49Å; N149-K152 PolarHBondContact O-N 3.33Å; N149-K152 VanDerWaalsContact O-N 3.11Å |
| 153 | S | 85.7 | Confident | 86.8 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 8% | 0.077 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | V8 S148 N149 | V8-S153 CarbonylContact O-C 3.12Å; V8-S153 VanDerWaalsContact O-CA 3.27Å; V8-S153 WeakPolarHBondContact O-CA 3.34Å; S148-S153 PolarHBondContact N-O 2.98Å; S148-S153 VanDerWaalsContact N-O 3.11Å; S148-S153 PolarHBondContact O-N 3.47Å; S148-S153 PolarHBondContact O-OG 3.43Å; S148-S153 PolarHBondContact OG-OG 2.88Å; N149-S153 PolarHBondContact ND2-OG 2.73Å |
| 154 | F | 91.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133 | 177.1 | 167.1 | -113.3 | 0 | 0 | 0 | 108.7 | V8 F10 L131 F133 W145 F147 L156 I181 I192 | V8-F154 HydrophobicContact CB-CB 4.37Å; V8-F154 HydrophobicContact CB-CD1 4.32Å; V8-F154 HydrophobicContact CG2-CD1 4.03Å; V8-F154 PolarHBondContact N-O 3.34Å; V8-F154 PolarHBondContact O-N 3.04Å; F10-F154 HydrophobicContact CE2-CB 4.24Å; L131-F154 HydrophobicContact CD2-CD1 4.29Å; L131-F154 HydrophobicContact CD2-CE1 3.79Å; F133-F154 HydrophobicContact CE1-CE1 4.5Å; F133-F154 HydrophobicContact CE1-CZ 4.05Å; F133-F154 AromaticContact CZ-CZ 4Å; F133-F154 HydrophobicContact CZ-CZ 4Å; W145-F154 HydrophobicContact CB-CE2 4.04Å; F147-F154 AromaticContact CD1-CD2 3.67Å; F147-F154 HydrophobicContact CD1-CD2 3.67Å; F147-F154 HydrophobicContact CD1-CE2 4.31Å; F147-F154 AromaticContact CE1-CD2 3.31Å; F147-F154 HydrophobicContact CE1-CD2 3.31Å; F147-F154 AromaticContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CE2 3.54Å; F147-F154 HydrophobicContact CE1-CG 4.46Å; F147-F154 HydrophobicContact CZ-CD2 4.1Å; F147-F154 AromaticContact CZ-CE2 3.89Å; F147-F154 HydrophobicContact CZ-CE2 3.89Å; F154-L156 HydrophobicContact CE1-CD1 3.68Å; F154-L156 HydrophobicContact CE1-CD2 4.38Å; F154-L156 HydrophobicContact CE1-CG 3.65Å; F154-L156 HydrophobicContact CE2-CD2 4.22Å; F154-L156 HydrophobicContact CE2-CG 4.23Å; F154-L156 HydrophobicContact CZ-CD1 3.71Å; F154-L156 HydrophobicContact CZ-CD2 3.62Å; F154-L156 HydrophobicContact CZ-CG 3.39Å; F154-I181 HydrophobicContact CD1-CD1 3.95Å; F154-I181 HydrophobicContact CE1-CD1 3.44Å; F154-I181 VanDerWaalsContact CE1-CD1 3.44Å; F154-I181 HydrophobicContact CE2-CD1 4.13Å; F154-I181 HydrophobicContact CG-CD1 4.47Å; F154-I181 HydrophobicContact CZ-CD1 3.5Å; F154-I192 HydrophobicContact CB-CD1 4.07Å |
| 155 | C | 94.6 | Very high | 83.1 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | 177.9 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | C6 W145 H146 W170 | C6-C155 CarbonylContact O-C 3.55Å; C6-C155 WeakPolarHBondContact O-CA 3.33Å; W145-C155 CarbonylContact C-O 3.58Å; W145-C155 VanDerWaalsContact CA-O 3.26Å; W145-C155 WeakPolarHBondContact CA-O 3.2Å; H146-C155 HydrophobicContact CB-CB 4.43Å; H146-C155 PolarHBondContact N-O 2.87Å; H146-C155 PolarHBondContact O-N 3.33Å; C155-W170 HydrophobicContact CB-CH2 4.14Å; C155-W170 HydrophobicContact CB-CZ3 4.44Å |
| 156 | L | 97.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 167.3 | -70.8 | 166.9 | 0 | 0 | 0 | 108.6 | C5 C6 I122 L131 F133 L143 L144 W145 F154 V173 | C5-L156 CarbonylContact C-O 3.55Å; C5-L156 WeakPolarHBondContact CA-O 3.38Å; C5-L156 PolarHBondContact SG-O 3.46Å; C6-L156 HydrophobicContact CB-CB 4.48Å; C6-L156 PolarHBondContact N-O 2.83Å; C6-L156 PolarHBondContact O-N 2.82Å; I122-L156 HydrophobicContact CD1-CB 3.69Å; I122-L156 HydrophobicContact CD1-CD1 4.36Å; I122-L156 HydrophobicContact CG1-CB 4.3Å; I122-L156 HydrophobicContact CG1-CD1 4.17Å; I122-L156 HydrophobicContact CG2-CD1 4.31Å; L131-L156 HydrophobicContact CD2-CD1 4.23Å; F133-L156 HydrophobicContact CB-CD1 3.78Å; F133-L156 HydrophobicContact CD1-CD1 3.57Å; F133-L156 HydrophobicContact CD2-CD1 4.02Å; F133-L156 HydrophobicContact CD2-CD2 3.75Å; F133-L156 HydrophobicContact CE1-CD1 4.1Å; F133-L156 HydrophobicContact CE2-CD1 4.49Å; F133-L156 HydrophobicContact CE2-CD2 3.85Å; F133-L156 HydrophobicContact CG-CD1 3.51Å; F133-L156 HydrophobicContact CG-CD2 4.15Å; F133-L156 HydrophobicContact CG-CG 4.49Å; F133-L156 HydrophobicContact CZ-CD2 4.33Å; L143-L156 HydrophobicContact CD1-CB 4.45Å; L143-L156 HydrophobicContact CD2-CD2 4.48Å; L143-L156 HydrophobicContact CG-CD2 4.49Å; L144-L156 CarbonylContact O-C 3.58Å; L144-L156 VanDerWaalsContact O-CA 3.28Å; L144-L156 WeakPolarHBondContact O-CA 3.4Å; W145-L156 HydrophobicContact CB-CD2 4.03Å; F154-L156 HydrophobicContact CE1-CD1 3.68Å; F154-L156 HydrophobicContact CE1-CD2 4.38Å; F154-L156 HydrophobicContact CE1-CG 3.65Å; F154-L156 HydrophobicContact CE2-CD2 4.22Å; F154-L156 HydrophobicContact CE2-CG 4.23Å; F154-L156 HydrophobicContact CZ-CD1 3.71Å; F154-L156 HydrophobicContact CZ-CD2 3.62Å; F154-L156 HydrophobicContact CZ-CG 3.39Å; L156-V173 HydrophobicContact CD2-CG2 4.07Å |
| 157 | S | 97.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 142.5 | 177.4 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | I4 L144 V159 | I4-S157 CarbonylContact O-C 3.57Å; I4-S157 WeakPolarHBondContact O-CA 3.02Å; L144-S157 WeakPolarHBondContact CA-O 3.29Å; L144-S157 WeakPolarHBondContact CB-O 3.31Å; L144-S157 PolarHBondContact N-O 2.9Å; L144-S157 PolarHBondContact O-N 2.74Å; S157-V159 WeakPolarHBondContact CB-O 3.15Å; S157-V159 PolarHBondContact O-N 2.87Å; S157-V159 PolarHBondContact OG-N 3.4Å; S157-V159 PolarHBondContact OG-O 3.2Å |
| 158 | S | 97.8 | Very high | 78 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -66.7 | -15.6 | 172.4 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | G3 I4 L27 R30 S142 | G3-S158 WeakPolarHBondContact CA-OG 3.48Å; I4-S158 PolarHBondContact N-OG 3.14Å; I4-S158 PolarHBondContact O-N 2.85Å; I4-S158 PolarHBondContact O-OG 3.33Å; L27-S158 WeakPolarHBondContact CD2-OG 3.17Å; R30-S158 PolarHBondContact NE-OG 3.46Å; S142-S158 WeakPolarHBondContact CB-O 3.42Å |
| 159 | V | 95.9 | Very high | 78 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -151.2 | 141.5 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | L23 N26 L27 S157 L448 R539 | L23-V159 WeakPolarHBondContact CD1-O 3.35Å; N26-V159 HydrophobicContact CB-CB 4.48Å; N26-V159 HydrophobicContact CB-CG1 3.61Å; N26-V159 HydrophobicContact CB-CG2 4Å; L27-V159 HydrophobicContact CD2-CG1 3.94Å; L27-V159 HydrophobicContact CG-CG1 4.14Å; S157-V159 WeakPolarHBondContact CB-O 3.15Å; S157-V159 PolarHBondContact O-N 2.87Å; S157-V159 PolarHBondContact OG-N 3.4Å; S157-V159 PolarHBondContact OG-O 3.2Å; V159-L448 HydrophobicContact CG2-CD2 3.85Å; V159-R539 HydrophobicContact CB-CG 4.47Å; V159-R539 HydrophobicContact CG2-CG 4.42Å |
| 160 | G | 90.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -94.7 | -177.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N26 L144 | N26-G160 PolarHBondContact ND2-O 3.25Å; L144-G160 VanDerWaalsContact CD1-N 3.29Å | ||
| 161 | T | 86.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | trans | -124 | 155.9 | 162.5 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | D22 L23 T163 W170 | D22-T161 HydrophobicContact CB-CG2 3.69Å; L23-T161 VanDerWaalsContact CA-CG2 3.44Å; L23-T161 HydrophobicContact CB-CG2 3.72Å; L23-T161 HydrophobicContact CD1-CG2 4.27Å; L23-T161 VanDerWaalsContact N-CG2 3.32Å; T161-T163 PolarHBondContact O-N 3.45Å; T161-W170 PolarHBondContact O-NE1 3.33Å; T161-W170 VanDerWaalsContact O-NE1 3.12Å | ||
| 162 | Q | 75.7 | Confident | 81.2 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | trans | -73.9 | 124.7 | 176.5 | -167.8 | 161.2 | 12.7 | 0 | 0 | 108.7 | H447 L627 I629 | Q162-H447 VanDerWaalsContact CB-ND1 3.31Å; Q162-H447 WeakPolarHBondContact CB-ND1 3.43Å; Q162-H447 PolarHBondContact N-ND1 2.93Å; Q162-L627 PolarHBondContact NE2-O 3.13Å; Q162-I629 HydrophobicContact CB-CD1 4.22Å; Q162-I629 HydrophobicContact CG-CD1 4.35Å | ||
| 163 | T | 68.6 | Low | 82.1 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | trans | -106.6 | 145.6 | 179.9 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | T161 N168 | T161-T163 PolarHBondContact O-N 3.45Å; T163-N168 VanDerWaalsContact CB-O 3.25Å; T163-N168 WeakPolarHBondContact CB-O 3.34Å; T163-N168 PolarHBondContact OG1-O 3.43Å | ||
| 164 | S | 59.4 | Low | 82.5 | Confident | 114 Ų | 114 | 36.6 Ų | 36.6 | 80% | 0.797 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -79.7 | 133.1 | 172.1 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 165 | G | 58.5 | Low | 82.7 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 95 | 146.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A167 | G165-A167 VanDerWaalsContact C-N 3.34Å; G165-A167 PolarHBondContact O-N 3.12Å |
| 166 | L | 53.8 | Low | 82.6 | Confident | 144 Ų | 144 | 37.9 Ų | 37.9 | 75% | 0.754 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -66.9 | -30.1 | -177.7 | -78.3 | 152.4 | 0 | 0 | 0 | 113.5 | N168 | L166-N168 PolarHBondContact O-N 3.37Š|
| 167 | A | 52.7 | Low | 82.5 | Confident | 89 Ų | 89 | 37.9 Ų | 37.9 | 74% | 0.736 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -83.2 | -5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G165 | G165-A167 VanDerWaalsContact C-N 3.34Å; G165-A167 PolarHBondContact O-N 3.12Å |
| 168 | N | 63.9 | Low | 82.5 | Confident | 65 Ų | 65 | 37.9 Ų | 37.9 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -122.8 | 30.2 | -176.8 | -77.4 | -26.8 | 0 | 0 | 0 | 111.6 | H146 T163 L166 | H146-N168 PolarHBondContact CD2-O 3.34Å; H146-N168 PolarHBondContact NE2-O 3.18Å; T163-N168 VanDerWaalsContact CB-O 3.25Å; T163-N168 WeakPolarHBondContact CB-O 3.34Å; T163-N168 PolarHBondContact OG1-O 3.43Å; L166-N168 PolarHBondContact O-N 3.37Å |
| 169 | Q | 80.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | trans | -82.6 | 143.6 | -178 | -67.7 | -174.2 | -8.6 | 0 | 0 | 111.4 | ||||
| 170 | W | 90.7 | Very high | 82.6 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -65 | 149.1 | 165.2 | -67.8 | 87.3 | 0 | 0 | 0 | 109.2 | L23 L144 H146 C155 T161 P451 | L23-W170 HydrophobicContact CD1-CH2 4.45Å; L23-W170 HydrophobicContact CD1-CZ2 4.27Å; L23-W170 HydrophobicContact CD2-CH2 4.29Å; L23-W170 HydrophobicContact CD2-CZ2 4.25Å; L144-W170 HydrophobicContact CB-CD2 4.44Å; L144-W170 HydrophobicContact CB-CE3 3.56Å; L144-W170 HydrophobicContact CB-CZ3 4.18Å; L144-W170 HydrophobicContact CD1-CB 4.13Å; L144-W170 HydrophobicContact CD1-CD2 4.42Å; L144-W170 HydrophobicContact CD1-CE3 4.25Å; L144-W170 HydrophobicContact CD1-CG 4.41Å; H146-W170 HydrophobicContact CB-CD2 3.64Å; H146-W170 HydrophobicContact CB-CE3 3.42Å; H146-W170 VanDerWaalsContact CB-CE3 3.42Å; H146-W170 HydrophobicContact CB-CG 4.31Å; H146-W170 HydrophobicContact CB-CH2 3.99Å; H146-W170 HydrophobicContact CB-CZ2 4.15Å; H146-W170 HydrophobicContact CB-CZ3 3.61Å; C155-W170 HydrophobicContact CB-CH2 4.14Å; C155-W170 HydrophobicContact CB-CZ3 4.44Å; T161-W170 PolarHBondContact O-NE1 3.33Å; T161-W170 VanDerWaalsContact O-NE1 3.12Å; W170-P451 VanDerWaalsContact O-CB 3.31Å; W170-P451 WeakPolarHBondContact O-CB 3.43Å | ||
| 171 | Q | 92.3 | Very high | 82.9 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148 | 175.2 | -72 | 173.5 | -20.2 | 0 | 0 | 108.8 | L144 W145 V173 D221 | L144-Q171 CarbonylContact C-O 3.5Å; L144-Q171 WeakPolarHBondContact CA-O 3.41Å; W145-Q171 PolarHBondContact N-O 2.98Å; W145-Q171 PolarHBondContact O-N 3.39Å; Q171-V173 PolarHBondContact O-N 2.98Å; Q171-D221 PolarHBondContact NE2-O 2.87Å |
| 172 | E | 93.8 | Very high | 83.3 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131 | 178.8 | -161.2 | 82.2 | -147.3 | 0 | 0 | 109.7 | R135 S142 L143 L144 P174 P451 R539 | R135-E172 IonicContact CZ-OE1 3.4Å; R135-E172 IonicContact NH1-OE1 3.84Å; R135-E172 PolarHBondContact NH1-OE1 3.26Å; R135-E172 IonicContact NH2-OE1 3.77Å; R135-E172 PolarHBondContact NH2-OE1 3.15Å; S142-E172 PolarHBondContact OG-OE1 3.06Å; L143-E172 PolarHBondContact N-OE1 2.93Å; L144-E172 HydrophobicContact CD2-CB 4.21Å; L144-E172 HydrophobicContact CD2-CG 4.39Å; L144-E172 VanDerWaalsContact CD2-OE2 3.32Å; L144-E172 WeakPolarHBondContact CD2-OE2 3.27Å; E172-P174 VanDerWaalsContact O-CD 3.29Å; E172-P174 WeakPolarHBondContact O-CD 3.33Å; E172-P451 HydrophobicContact CB-CG 4.31Å; E172-R539 IonicContact OE1-NH1 3.76Å; E172-R539 IonicContact OE2-CZ 2.61Å; E172-R539 IonicContact OE2-NH1 3.29Å; E172-R539 PolarHBondContact OE2-NH1 3.39Å; E172-R539 IonicContact OE2-NH2 3.64Å |
| 173 | V | 95.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 121.9 | 168 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | F133 R135 L143 W145 L156 Q171 F179 | F133-V173 HydrophobicContact CD2-CG1 4.16Å; F133-V173 HydrophobicContact CE2-CG1 4.11Å; F133-V173 HydrophobicContact CE2-CG2 4.45Å; R135-V173 WeakPolarHBondContact CD-O 3.41Å; R135-V173 PolarHBondContact NH1-O 2.95Å; L143-V173 HydrophobicContact CB-CB 4.3Å; L143-V173 HydrophobicContact CB-CG2 4.23Å; L143-V173 HydrophobicContact CD2-CB 4.37Å; L143-V173 HydrophobicContact CD2-CG1 4.48Å; L143-V173 HydrophobicContact CD2-CG2 4.06Å; L143-V173 HydrophobicContact CG-CB 4.36Å; L143-V173 HydrophobicContact CG-CG2 3.84Å; L143-V173 WeakPolarHBondContact O-CB 3.39Å; L143-V173 WeakPolarHBondContact O-CG2 3.34Å; L143-V173 PolarHBondContact O-N 3.22Å; W145-V173 HydrophobicContact CB-CG2 4.18Å; W145-V173 HydrophobicContact CD2-CG2 3.95Å; W145-V173 HydrophobicContact CE3-CB 4.22Å; W145-V173 HydrophobicContact CE3-CG1 4.15Å; W145-V173 HydrophobicContact CE3-CG2 3.65Å; W145-V173 HydrophobicContact CG-CG2 4.21Å; W145-V173 HydrophobicContact CZ3-CB 4.46Å; W145-V173 HydrophobicContact CZ3-CG1 4.05Å; W145-V173 HydrophobicContact CZ3-CG2 4.36Å; L156-V173 HydrophobicContact CD2-CG2 4.07Å; Q171-V173 PolarHBondContact O-N 2.98Å; V173-F179 HydrophobicContact CG1-CD2 3.95Å; V173-F179 HydrophobicContact CG1-CE2 3.79Å |
| 174 | P | 94.6 | Very high | 85.5 | Confident | 33 Ų | 33 | 41.3 Ų | 41.3 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 142.3 | -179.7 | -23.2 | 33.2 | 0 | 0 | 0 | 112.1 | W145 E172 S176 F179 I218 | W145-P174 HydrophobicContact CH2-CG 3.95Å; W145-P174 HydrophobicContact CZ2-CG 4.3Å; E172-P174 VanDerWaalsContact O-CD 3.29Å; E172-P174 WeakPolarHBondContact O-CD 3.33Å; P174-S176 PolarHBondContact O-N 3.26Å; P174-F179 HydrophobicContact CB-CZ 4.5Å; P174-F179 HydrophobicContact CG-CZ 4.42Å; P174-I218 HydrophobicContact CB-CD1 4.23Å; P174-I218 HydrophobicContact CB-CG1 4.32Å; P174-I218 HydrophobicContact CG-CD1 4.13Å; P174-I218 HydrophobicContact CG-CG1 3.88Å; P174-I218 HydrophobicContact CG-CG2 4.15Å |
| 175 | A | 94.9 | Very high | 87 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 37.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 176 | S | 92.7 | Very high | 88.6 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14 | -177.2 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | P174 P198 W199 I218 | P174-S176 PolarHBondContact O-N 3.26Å; S176-P198 VanDerWaalsContact O-CA 3.31Å; S176-P198 WeakPolarHBondContact O-CA 3.28Å; S176-W199 PolarHBondContact O-N 2.82Å; S176-I218 WeakPolarHBondContact OG-CD1 3.35Å |
| 177 | G | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -154.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y197 | G177-Y197 CarbonylContact C-O 3.59Å; G177-Y197 WeakPolarHBondContact CA-O 3.47Å |
| 178 | L | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 147.1 | 171.4 | -56.9 | -170.7 | 0 | 0 | 0 | 111.1 | L109 F112 W119 F121 Y197 L237 | L109-L178 HydrophobicContact CD2-CD1 3.99Å; L109-L178 HydrophobicContact CD2-CG 4.47Å; F112-L178 HydrophobicContact CB-CD1 4.04Å; F112-L178 HydrophobicContact CD2-CD1 3.76Å; F112-L178 HydrophobicContact CE2-CD1 4.47Å; F112-L178 HydrophobicContact CG-CD1 3.98Å; W119-L178 HydrophobicContact CH2-CD2 3.94Å; W119-L178 HydrophobicContact CZ3-CD2 4.05Å; F121-L178 HydrophobicContact CE1-CD1 4.33Å; F121-L178 HydrophobicContact CE1-CD2 3.5Å; F121-L178 HydrophobicContact CZ-CD1 4.07Å; F121-L178 HydrophobicContact CZ-CD2 3.89Å; L178-Y197 PolarHBondContact N-O 3.02Å; L178-Y197 PolarHBondContact O-N 3.39Å; L178-L237 HydrophobicContact CB-CD1 4.28Å; L178-L237 HydrophobicContact CD1-CD1 4.43Å; L178-L237 HydrophobicContact CD1-CD2 3.94Å; L178-L237 HydrophobicContact CD2-CD2 4.38Å; L178-L237 HydrophobicContact CG-CD1 3.8Å; L178-L237 HydrophobicContact CG-CD2 3.8Å; L178-L237 HydrophobicContact CG-CG 4.38Å |
| 179 | F | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.8 | 175.1 | -62.3 | -91 | 0 | 0 | 0 | 110 | W132 F133 W145 V173 P174 L194 Q195 L196 I218 V228 | W132-F179 WeakPolarHBondContact CA-O 3.16Å; F133-F179 HydrophobicContact CD1-CB 4.29Å; F133-F179 HydrophobicContact CD2-CB 4Å; F133-F179 HydrophobicContact CD2-CD2 4.34Å; F133-F179 HydrophobicContact CE1-CB 3.82Å; F133-F179 HydrophobicContact CE2-CB 3.49Å; F133-F179 VanDerWaalsContact CE2-CB 3.49Å; F133-F179 AromaticContact CE2-CD2 3.97Å; F133-F179 HydrophobicContact CE2-CD2 3.97Å; F133-F179 AromaticContact CE2-CG 3.89Å; F133-F179 HydrophobicContact CE2-CG 3.89Å; F133-F179 HydrophobicContact CG-CB 4.38Å; F133-F179 HydrophobicContact CZ-CB 3.4Å; F133-F179 VanDerWaalsContact CZ-CB 3.4Å; F133-F179 HydrophobicContact CZ-CG 4.13Å; F133-F179 PolarHBondContact N-O 3.44Å; F133-F179 PolarHBondContact O-N 2.83Å; W145-F179 HydrophobicContact CH2-CE1 4.5Å; W145-F179 HydrophobicContact CH2-CZ 4.37Å; W145-F179 HydrophobicContact CZ3-CE1 4.3Å; W145-F179 HydrophobicContact CZ3-CE2 4.43Å; W145-F179 HydrophobicContact CZ3-CZ 4.23Å; V173-F179 HydrophobicContact CG1-CD2 3.95Å; V173-F179 HydrophobicContact CG1-CE2 3.79Å; P174-F179 HydrophobicContact CB-CZ 4.5Å; P174-F179 HydrophobicContact CG-CZ 4.42Å; F179-L194 HydrophobicContact CD1-CB 4.21Å; F179-Q195 CarbonylContact C-O 3.17Å; F179-Q195 VanDerWaalsContact CA-O 3.3Å; F179-Q195 WeakPolarHBondContact CA-O 3.16Å; F179-L196 HydrophobicContact CD1-CB 4.44Å; F179-L196 HydrophobicContact CD1-CD1 4.14Å; F179-L196 HydrophobicContact CE1-CB 4.34Å; F179-L196 HydrophobicContact CE1-CD1 3.73Å; F179-L196 HydrophobicContact CE1-CG 4.48Å; F179-L196 HydrophobicContact CE2-CD1 4.29Å; F179-L196 HydrophobicContact CZ-CD1 3.81Å; F179-I218 HydrophobicContact CZ-CD1 4.31Å; F179-V228 HydrophobicContact CE1-CG1 4.46Å |
| 180 | R | 97.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140 | 172.4 | -174.4 | -174.5 | 77.1 | 174.1 | -2.3 | 110.9 | E105 Y130 L131 W132 Q195 Y197 | E105-R180 IonicContact OE1-CZ 2.69Å; E105-R180 IonicContact OE1-NH1 3.95Å; E105-R180 PolarHBondContact OE1-NH1 2.88Å; E105-R180 IonicContact OE1-NH2 3.19Å; Y130-R180 HydrophobicContact CG-CG 4.3Å; L131-R180 CarbonylContact O-C 3.59Å; L131-R180 WeakPolarHBondContact O-CA 3.41Å; W132-R180 HydrophobicContact CD2-CB 4.07Å; W132-R180 HydrophobicContact CD2-CG 3.97Å; W132-R180 HydrophobicContact CE3-CB 3.94Å; W132-R180 HydrophobicContact CE3-CG 4.33Å; W132-R180 HydrophobicContact CG-CG 4.41Å; W132-R180 HydrophobicContact CH2-CB 4.43Å; W132-R180 HydrophobicContact CH2-CG 4.49Å; W132-R180 HydrophobicContact CZ2-CG 4.15Å; W132-R180 HydrophobicContact CZ3-CB 4.13Å; R180-Q195 HydrophobicContact CB-CB 4.38Å; R180-Q195 PolarHBondContact N-O 3.03Å; R180-Q195 PolarHBondContact O-N 2.85Å; R180-Y197 HydrophobicContact CB-CE2 3.95Å |
| 181 | I | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.3 | 168.9 | -59.3 | 168.1 | 0 | 0 | 0 | 109 | Y130 L131 F133 F154 L183 I192 L194 | Y130-I181 WeakPolarHBondContact CA-O 3.33Å; L131-I181 PolarHBondContact N-O 2.92Å; L131-I181 PolarHBondContact O-N 3.2Å; F133-I181 HydrophobicContact CE1-CD1 3.77Å; F133-I181 HydrophobicContact CE1-CG1 4Å; F133-I181 HydrophobicContact CZ-CD1 4.22Å; F154-I181 HydrophobicContact CD1-CD1 3.95Å; F154-I181 HydrophobicContact CE1-CD1 3.44Å; F154-I181 VanDerWaalsContact CE1-CD1 3.44Å; F154-I181 HydrophobicContact CE2-CD1 4.13Å; F154-I181 HydrophobicContact CG-CD1 4.47Å; F154-I181 HydrophobicContact CZ-CD1 3.5Å; I181-L183 HydrophobicContact CB-CD2 4.33Å; I181-L183 HydrophobicContact CG2-CD2 3.86Å; I181-I192 HydrophobicContact CD1-CG2 3.96Å; I181-I192 HydrophobicContact CG1-CG2 4.31Å; I181-L194 HydrophobicContact CD1-CD2 3.59Å; I181-L194 HydrophobicContact CG1-CD2 3.58Å |
| 182 | D | 95.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 102.5 | 163.9 | -179 | -24.8 | 0 | 0 | 0 | 109.1 | Y130 K184 S185 T186 | Y130-D182 HydrophobicContact CD1-CB 4.05Å; Y130-D182 HydrophobicContact CE1-CB 3.89Å; D182-K184 VanDerWaalsContact C-N 3.26Å; D182-K184 PolarHBondContact O-N 3.26Å; D182-K184 WeakPolarHBondContact OD1-CB 3.32Å; D182-K184 PolarHBondContact OD1-N 3.47Å; D182-S185 VanDerWaalsContact CG-CB 3.41Å; D182-S185 PolarHBondContact O-N 3.12Å; D182-S185 PolarHBondContact OD1-N 2.98Å; D182-T186 WeakPolarHBondContact O-CB 3.23Å; D182-T186 PolarHBondContact O-N 3.26Å; D182-T186 PolarHBondContact O-OG1 2.96Å |
| 183 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -32.1 | -174.7 | -61 | -174.5 | 0 | 0 | 0 | 112.3 | V8 F10 Y45 Y124 H129 L131 I181 A187 | V8-L183 HydrophobicContact CG1-CD2 4.09Å; V8-L183 HydrophobicContact CG2-CD2 4.44Å; F10-L183 HydrophobicContact CE1-CD2 4.25Å; F10-L183 HydrophobicContact CZ-CD2 4.24Å; Y45-L183 HydrophobicContact CD1-CB 3.81Å; Y45-L183 HydrophobicContact CD2-CB 4.29Å; Y45-L183 HydrophobicContact CD2-CD1 4.03Å; Y45-L183 HydrophobicContact CE1-CB 3.58Å; Y45-L183 HydrophobicContact CE2-CB 4.11Å; Y45-L183 HydrophobicContact CE2-CD1 3.58Å; Y45-L183 HydrophobicContact CG-CB 4.16Å; Y124-L183 HydrophobicContact CD2-CD1 4.08Å; Y124-L183 HydrophobicContact CE2-CD1 3.92Å; H129-L183 WeakPolarHBondContact O-CB 3.24Å; H129-L183 WeakPolarHBondContact O-CG 3.35Å; H129-L183 PolarHBondContact O-N 2.95Å; L131-L183 HydrophobicContact CB-CD1 4.23Å; L131-L183 HydrophobicContact CB-CD2 4.05Å; L131-L183 HydrophobicContact CB-CG 4.13Å; L131-L183 HydrophobicContact CD2-CD2 4.25Å; I181-L183 HydrophobicContact CB-CD2 4.33Å; I181-L183 HydrophobicContact CG2-CD2 3.86Å; L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.47Å; L183-A187 PolarHBondContact O-N 3.34Å |
| 184 | K | 93.4 | Very high | 93.2 | Very high | 95 Ų | 95 | 33.8 Ų | 33.8 | 41% | 0.413 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.4 | -46.3 | -179.7 | -172.9 | 175.1 | -177.1 | 172.6 | 0 | 110.6 | H129 D182 A187 I188 | H129-K184 HydrophobicContact CB-CB 4.12Å; D182-K184 VanDerWaalsContact C-N 3.26Å; D182-K184 PolarHBondContact O-N 3.26Å; D182-K184 WeakPolarHBondContact OD1-CB 3.32Å; D182-K184 PolarHBondContact OD1-N 3.47Å; K184-A187 PolarHBondContact O-N 3.24Å; K184-I188 WeakPolarHBondContact O-CG1 3.24Å; K184-I188 PolarHBondContact O-N 2.72Å |
| 185 | S | 92.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | D182 A187 I188 S189 | D182-S185 VanDerWaalsContact CG-CB 3.41Å; D182-S185 PolarHBondContact O-N 3.12Å; D182-S185 PolarHBondContact OD1-N 2.98Å; S185-A187 PolarHBondContact O-N 3.21Å; S185-I188 PolarHBondContact O-N 3.15Å; S185-S189 WeakPolarHBondContact O-CB 3.28Å; S185-S189 PolarHBondContact O-N 2.9Å; S185-S189 PolarHBondContact O-OG 3.34Å |
| 186 | T | 91.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.2 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | F10 D182 I188 R190 C191 I192 | F10-T186 HydrophobicContact CD1-CG2 4.09Å; F10-T186 HydrophobicContact CD2-CG2 4.11Å; F10-T186 HydrophobicContact CE1-CG2 3.56Å; F10-T186 HydrophobicContact CE2-CG2 3.58Å; F10-T186 HydrophobicContact CG-CG2 4.35Å; F10-T186 HydrophobicContact CZ-CG2 3.28Å; D182-T186 WeakPolarHBondContact O-CB 3.23Å; D182-T186 PolarHBondContact O-N 3.26Å; D182-T186 PolarHBondContact O-OG1 2.96Å; T186-I188 VanDerWaalsContact C-N 3.26Å; T186-I188 PolarHBondContact O-N 3.09Å; T186-R190 WeakPolarHBondContact O-CA 3.4Å; T186-R190 PolarHBondContact O-N 3.05Å; T186-C191 WeakPolarHBondContact CA-O 3.47Å; T186-C191 WeakPolarHBondContact CB-O 3.34Å; T186-C191 WeakPolarHBondContact CG2-O 3.5Å; T186-C191 PolarHBondContact OG1-O 2.89Å; T186-I192 HydrophobicContact CG2-CB 4.43Å; T186-I192 HydrophobicContact CG2-CG1 3.68Å |
| 187 | A | 89.2 | Confident | 93.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 5% | 0.05 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F10 N44 L183 K184 S185 R190 | F10-A187 HydrophobicContact CD1-CB 3.85Å; N44-A187 HydrophobicContact CB-CB 3.53Å; N44-A187 WeakPolarHBondContact O-CB 3.45Å; L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.47Å; L183-A187 PolarHBondContact O-N 3.34Å; K184-A187 PolarHBondContact O-N 3.24Å; S185-A187 PolarHBondContact O-N 3.21Å; A187-R190 PolarHBondContact O-NE 2.83Å |
| 188 | I | 88.6 | Confident | 93.5 | Very high | 122 Ų | 122 | 32.6 Ų | 32.6 | 63% | 0.626 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -78.1 | -51.4 | 178.9 | -62.7 | 165.2 | 0 | 0 | 0 | 110.9 | K184 S185 T186 R190 | K184-I188 WeakPolarHBondContact O-CG1 3.24Å; K184-I188 PolarHBondContact O-N 2.72Å; S185-I188 PolarHBondContact O-N 3.15Å; T186-I188 VanDerWaalsContact C-N 3.26Å; T186-I188 PolarHBondContact O-N 3.09Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 2.89Å |
| 189 | S | 88.1 | Confident | 93.3 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 43% | 0.427 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -76.9 | -18.4 | -173.7 | 61.5 | 0 | 0 | 0 | 0 | 114 | S185 C191 | S185-S189 WeakPolarHBondContact O-CB 3.28Å; S185-S189 PolarHBondContact O-N 2.9Å; S185-S189 PolarHBondContact O-OG 3.34Å; S189-C191 PolarHBondContact O-N 3.25Å; S189-C191 VanDerWaalsContact O-N 3.16Å; S189-C191 PolarHBondContact OG-N 3.16Å; S189-C191 PolarHBondContact OG-O 3.47Å |
| 190 | R | 85.5 | Confident | 93 | Very high | 120 Ų | 120 | 35.4 Ų | 35.4 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 57 | 20.8 | -170.2 | -55.6 | -63.9 | -178.8 | 167.5 | -11 | 113.4 | F10 T186 A187 I188 | F10-R190 VanDerWaalsContact O-CZ 3.25Å; F10-R190 PolarHBondContact O-NH1 3.49Å; F10-R190 PolarHBondContact O-NH2 3.43Å; T186-R190 WeakPolarHBondContact O-CA 3.4Å; T186-R190 PolarHBondContact O-N 3.05Å; A187-R190 PolarHBondContact O-NE 2.83Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 2.89Å |
| 191 | C | 88.7 | Confident | 92.5 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | trans | -119.8 | 129.6 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | T186 S189 F225 | T186-C191 WeakPolarHBondContact CA-O 3.47Å; T186-C191 WeakPolarHBondContact CB-O 3.34Å; T186-C191 WeakPolarHBondContact CG2-O 3.5Å; T186-C191 PolarHBondContact OG1-O 2.89Å; S189-C191 PolarHBondContact O-N 3.25Å; S189-C191 VanDerWaalsContact O-N 3.16Å; S189-C191 PolarHBondContact OG-N 3.16Å; S189-C191 PolarHBondContact OG-O 3.47Å; C191-F225 PolarHBondContact SG-O 3Å | ||
| 192 | I | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114 | 175.8 | -61.8 | 168.7 | 0 | 0 | 0 | 107.6 | F10 F147 F154 I181 T186 L194 F225 V226 S227 | F10-I192 HydrophobicContact CE2-CD1 4.39Å; F10-I192 HydrophobicContact CE2-CG1 4.35Å; F147-I192 HydrophobicContact CD1-CD1 3.61Å; F147-I192 HydrophobicContact CE1-CD1 3.89Å; F147-I192 HydrophobicContact CE1-CG2 4.23Å; F154-I192 HydrophobicContact CB-CD1 4.07Å; I181-I192 HydrophobicContact CD1-CG2 3.96Å; I181-I192 HydrophobicContact CG1-CG2 4.31Å; T186-I192 HydrophobicContact CG2-CB 4.43Å; T186-I192 HydrophobicContact CG2-CG1 3.68Å; I192-L194 HydrophobicContact CG2-CD2 3.79Å; I192-L194 HydrophobicContact CG2-CG 4.3Å; I192-F225 HydrophobicContact CD1-CD2 4.43Å; I192-F225 HydrophobicContact CD1-CE2 4.25Å; I192-F225 PolarHBondContact N-O 3.32Å; I192-V226 HydrophobicContact CB-CG1 4.26Å; I192-V226 HydrophobicContact CB-CG2 4.27Å; I192-V226 HydrophobicContact CD1-CG2 4.37Å; I192-V226 HydrophobicContact CG2-CG1 4.22Å; I192-V226 WeakPolarHBondContact O-CA 3.39Å; I192-S227 PolarHBondContact O-N 3.48Å |
| 193 | I | 93.7 | Very high | 90 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 111.6 | 175.3 | -58.4 | 175 | 0 | 0 | 0 | 107.6 | V229 | I193-V229 HydrophobicContact CG2-CB 4.45Å; I193-V229 HydrophobicContact CG2-CG1 4.09Å; I193-V229 HydrophobicContact CG2-CG2 3.5Å |
| 194 | L | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.4 | 174.7 | -58.1 | -176.8 | 0 | 0 | 0 | 108.7 | F133 W145 F147 F179 I181 I192 L196 L222 V226 S227 V228 V229 | F133-L194 HydrophobicContact CZ-CD2 4.08Å; W145-L194 HydrophobicContact CE3-CD1 4.37Å; W145-L194 HydrophobicContact CH2-CD1 4.2Å; W145-L194 HydrophobicContact CZ3-CD1 3.9Å; F147-L194 HydrophobicContact CZ-CD1 4.28Å; F179-L194 HydrophobicContact CD1-CB 4.21Å; I181-L194 HydrophobicContact CD1-CD2 3.59Å; I181-L194 HydrophobicContact CG1-CD2 3.58Å; I192-L194 HydrophobicContact CG2-CD2 3.79Å; I192-L194 HydrophobicContact CG2-CG 4.3Å; L194-L196 PolarHBondContact O-N 3.34Å; L194-L222 HydrophobicContact CD1-CD1 4.04Å; L194-V226 HydrophobicContact CD1-CG1 3.84Å; L194-V226 HydrophobicContact CG-CG1 3.96Å; L194-S227 PolarHBondContact N-O 3.46Å; L194-V228 HydrophobicContact CB-CG1 4.4Å; L194-V228 HydrophobicContact CB-CG2 4.22Å; L194-V228 HydrophobicContact CD1-CG2 4.16Å; L194-V228 WeakPolarHBondContact O-CA 3.34Å; L194-V229 PolarHBondContact O-N 3.36Å |
| 195 | Q | 96.4 | Very high | 85.6 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.7 | 174.3 | -174.9 | 167.3 | -4.5 | 0 | 0 | 110.3 | F179 R180 Y197 V229 N231 | F179-Q195 CarbonylContact C-O 3.17Å; F179-Q195 VanDerWaalsContact CA-O 3.3Å; F179-Q195 WeakPolarHBondContact CA-O 3.16Å; R180-Q195 HydrophobicContact CB-CB 4.38Å; R180-Q195 PolarHBondContact N-O 3.03Å; R180-Q195 PolarHBondContact O-N 2.85Å; Q195-Y197 HydrophobicContact CB-CE2 4.41Å; Q195-Y197 HydrophobicContact CG-CE2 3.86Å; Q195-Y197 PolarHBondContact NE2-OH 2.93Å; Q195-Y197 VanDerWaalsContact NE2-OH 3.15Å; Q195-V229 WeakPolarHBondContact CA-O 3.36Å; Q195-V229 HydrophobicContact CB-CG2 4.25Å; Q195-V229 HydrophobicContact CG-CG2 4.47Å; Q195-N231 HydrophobicContact CG-CB 3.93Å; Q195-N231 VanDerWaalsContact NE2-CB 3.27Å |
| 196 | L | 95.9 | Very high | 83.1 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.1 | -177.4 | 176.9 | 62.3 | 0 | 0 | 0 | 111.8 | F179 L194 P198 L215 I218 V228 V229 N231 | F179-L196 HydrophobicContact CD1-CB 4.44Å; F179-L196 HydrophobicContact CD1-CD1 4.14Å; F179-L196 HydrophobicContact CE1-CB 4.34Å; F179-L196 HydrophobicContact CE1-CD1 3.73Å; F179-L196 HydrophobicContact CE1-CG 4.48Å; F179-L196 HydrophobicContact CE2-CD1 4.29Å; F179-L196 HydrophobicContact CZ-CD1 3.81Å; L194-L196 PolarHBondContact O-N 3.34Å; L196-P198 HydrophobicContact CG-CB 4.41Å; L196-L215 HydrophobicContact CB-CD2 4.42Å; L196-L215 HydrophobicContact CD2-CD2 3.84Å; L196-L215 HydrophobicContact CD2-CG 4.48Å; L196-I218 HydrophobicContact CD2-CD1 4.25Å; L196-V228 HydrophobicContact CB-CG1 4.08Å; L196-V229 PolarHBondContact N-O 3.21Å; L196-N231 PolarHBondContact O-N 2.72Å; L196-N231 PolarHBondContact O-ND2 3.33Å; L196-N231 VanDerWaalsContact O-ND2 3.09Å |
| 197 | Y | 96.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 98.4 | 168.5 | -59.8 | -92.8 | 0 | 0 | 0 | 107.9 | E105 L109 W132 G177 L178 R180 Q195 N231 L235 L237 | E105-Y197 HydrophobicContact CB-CE1 4.5Å; E105-Y197 PolarHBondContact OE1-OH 2.94Å; E105-Y197 VanDerWaalsContact OE2-CE1 3.25Å; E105-Y197 WeakPolarHBondContact OE2-CE1 3.32Å; E105-Y197 PolarHBondContact OE2-OH 2.68Å; L109-Y197 HydrophobicContact CD1-CD1 3.55Å; L109-Y197 HydrophobicContact CD1-CE1 4.15Å; L109-Y197 HydrophobicContact CD1-CG 4.22Å; L109-Y197 HydrophobicContact CD2-CD1 4.08Å; L109-Y197 HydrophobicContact CD2-CG 3.89Å; L109-Y197 HydrophobicContact CG-CD1 4.37Å; W132-Y197 HydrophobicContact CE3-CE2 4.37Å; W132-Y197 HydrophobicContact CH2-CD2 4.4Å; W132-Y197 HydrophobicContact CH2-CE1 4.41Å; W132-Y197 AromaticContact CH2-CE2 3.7Å; W132-Y197 HydrophobicContact CH2-CE2 3.7Å; W132-Y197 AromaticContact CH2-CZ 3.68Å; W132-Y197 AromaticContact CZ3-CD2 3.7Å; W132-Y197 HydrophobicContact CZ3-CD2 3.7Å; W132-Y197 AromaticContact CZ3-CE2 3.4Å; W132-Y197 HydrophobicContact CZ3-CE2 3.4Å; W132-Y197 HydrophobicContact CZ3-CG 4.4Å; W132-Y197 AromaticContact CZ3-CZ 3.84Å; G177-Y197 CarbonylContact C-O 3.59Å; G177-Y197 WeakPolarHBondContact CA-O 3.47Å; L178-Y197 PolarHBondContact N-O 3.02Å; L178-Y197 PolarHBondContact O-N 3.39Å; R180-Y197 HydrophobicContact CB-CE2 3.95Å; Q195-Y197 HydrophobicContact CB-CE2 4.41Å; Q195-Y197 HydrophobicContact CG-CE2 3.86Å; Q195-Y197 PolarHBondContact NE2-OH 2.93Å; Q195-Y197 VanDerWaalsContact NE2-OH 3.15Å; Y197-N231 HydrophobicContact CD1-CB 3.85Å; Y197-N231 HydrophobicContact CE1-CB 3.53Å; Y197-L235 HydrophobicContact CD1-CB 4.07Å; Y197-L235 HydrophobicContact CE1-CB 4.35Å; Y197-L235 HydrophobicContact CE1-CD1 4.34Å; Y197-L237 WeakPolarHBondContact O-CD1 3.36Å |
| 198 | P | 95.1 | Very high | 78.7 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.078 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 159.3 | -166.2 | 33 | -36.5 | 0 | 0 | 0 | 113.2 | S176 L196 N211 Y236 L237 | S176-P198 VanDerWaalsContact O-CA 3.31Å; S176-P198 WeakPolarHBondContact O-CA 3.28Å; L196-P198 HydrophobicContact CG-CB 4.41Å; P198-N211 WeakPolarHBondContact CB-ND2 3.02Å; P198-N211 WeakPolarHBondContact CG-ND2 3.29Å; P198-Y236 CarbonylContact O-C 3.42Å; P198-Y236 VanDerWaalsContact O-CA 3.29Å; P198-Y236 WeakPolarHBondContact O-CA 3.34Å; P198-Y236 VanDerWaalsContact O-CB 3.26Å; P198-Y236 WeakPolarHBondContact O-CB 3.47Å; P198-L237 PolarHBondContact O-N 2.96Å |
| 199 | W | 94.1 | Very high | 77.1 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.9 | 165.2 | -64.3 | 110.4 | 0 | 0 | 0 | 111.7 | W119 F137 S176 L237 E238 K239 | W119-W199 HydrophobicContact CH2-CH2 4.33Å; W119-W199 AromaticContact CH2-CZ2 3.95Å; W119-W199 HydrophobicContact CH2-CZ2 3.95Å; W119-W199 AromaticContact CZ2-CH2 3.99Å; W119-W199 HydrophobicContact CZ2-CH2 3.99Å; W119-W199 AromaticContact CZ2-CZ2 3.95Å; W119-W199 HydrophobicContact CZ2-CZ2 3.95Å; F137-W199 HydrophobicContact CB-CD2 4.47Å; F137-W199 HydrophobicContact CB-CZ2 4.31Å; F137-W199 HydrophobicContact CD2-CB 4.23Å; F137-W199 HydrophobicContact CD2-CD2 4.06Å; F137-W199 AromaticContact CD2-CG 3.89Å; F137-W199 HydrophobicContact CD2-CG 3.89Å; F137-W199 HydrophobicContact CE2-CB 4.44Å; S176-W199 PolarHBondContact O-N 2.82Å; W199-L237 CarbonylContact C-O 3.48Å; W199-L237 WeakPolarHBondContact CA-O 3.31Å; W199-L237 HydrophobicContact CD2-CB 3.84Å; W199-L237 HydrophobicContact CE3-CB 3.25Å; W199-L237 HydrophobicContact CE3-CD2 4.34Å; W199-L237 HydrophobicContact CE3-CG 4.32Å; W199-L237 HydrophobicContact CH2-CB 4.07Å; W199-L237 HydrophobicContact CH2-CD2 3.61Å; W199-L237 HydrophobicContact CH2-CG 4.44Å; W199-L237 HydrophobicContact CZ2-CD2 3.98Å; W199-L237 HydrophobicContact CZ3-CB 3.39Å; W199-L237 HydrophobicContact CZ3-CD2 3.82Å; W199-L237 HydrophobicContact CZ3-CG 4.23Å; W199-E238 VanDerWaalsContact CE3-O 3.27Å; W199-E238 WeakPolarHBondContact CZ3-O 3.31Å; W199-K239 HydrophobicContact CB-CG 3.82Å |
| 200 | K | 91.6 | Very high | 75.1 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.2 | 175.5 | -69 | -169.4 | 177.9 | 179 | 0 | 112.4 | Y236 L237 K239 | K200-Y236 HydrophobicContact CB-CD2 3.85Å; K200-Y236 HydrophobicContact CB-CG 4.07Å; K200-Y236 HydrophobicContact CD-CD1 4.07Å; K200-Y236 HydrophobicContact CD-CD2 4.44Å; K200-Y236 HydrophobicContact CD-CG 3.86Å; K200-Y236 HydrophobicContact CG-CD2 4.48Å; K200-Y236 HydrophobicContact CG-CG 4.19Å; K200-L237 PolarHBondContact N-O 3.02Å; K200-K239 PolarHBondContact O-N 2.86Å |
| 201 | Y | 87 | Confident | 73.4 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | trans | -77.3 | 141.9 | 165.8 | -65.6 | -67.7 | 0 | 0 | 0 | 109.7 | E209 K239 V241 P243 | Y201-E209 WeakPolarHBondContact CD2-OE2 3.46Å; Y201-K239 HydrophobicContact CD1-CB 3.79Å; Y201-K239 HydrophobicContact CD1-CD 3.61Å; Y201-K239 HydrophobicContact CD1-CG 4.27Å; Y201-K239 HydrophobicContact CD2-CD 3.61Å; Y201-K239 HydrophobicContact CE1-CB 3.83Å; Y201-K239 HydrophobicContact CE1-CD 3.45Å; Y201-K239 VanDerWaalsContact CE1-CD 3.45Å; Y201-K239 HydrophobicContact CE1-CG 4.26Å; Y201-K239 HydrophobicContact CE2-CD 3.48Å; Y201-K239 VanDerWaalsContact CE2-CD 3.48Å; Y201-K239 HydrophobicContact CG-CB 4.5Å; Y201-K239 HydrophobicContact CG-CD 3.68Å; Y201-V241 WeakPolarHBondContact CE1-O 3.35Å; Y201-P243 HydrophobicContact CD1-CG 3.66Å; Y201-P243 HydrophobicContact CD2-CG 4.04Å; Y201-P243 HydrophobicContact CE1-CB 4.22Å; Y201-P243 HydrophobicContact CE1-CG 3.67Å; Y201-P243 HydrophobicContact CE2-CB 4.18Å; Y201-P243 HydrophobicContact CE2-CG 4.03Å; Y201-P243 HydrophobicContact CG-CG 3.86Å | ||
| 202 | I | 77.3 | Confident | 71.4 | Confident | 95 Ų | 95 | 76.6 Ų | 76.6 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | trans | -92.5 | 102.9 | 168.7 | -56.9 | -176.8 | 0 | 0 | 0 | 107.5 | Y236 E238 | I202-Y236 HydrophobicContact CD1-CE2 4.32Å; I202-Y236 HydrophobicContact CG1-CE2 4.05Å; I202-E238 HydrophobicContact CD1-CB 4.1Å; I202-E238 HydrophobicContact CD1-CG 3.78Å; I202-E238 WeakPolarHBondContact CD1-OE2 3.32Å; I202-E238 HydrophobicContact CG1-CB 4.45Å; I202-E238 HydrophobicContact CG1-CG 3.97Å | ||
| 203 | S | 62.3 | Low | 69.6 | Low | 56 Ų | 56 | 82.1 Ų | 82.1 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | trans | -95.4 | 141.2 | 170.4 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | E205 | S203-E205 VanDerWaalsContact CB-O 3.26Å; S203-E205 WeakPolarHBondContact CB-O 3.43Å; S203-E205 PolarHBondContact O-N 2.86Å; S203-E205 PolarHBondContact OG-O 2.81Å | ||
| 204 | R | 50.1 | Low | 68.1 | Low | 262 Ų | 262 | 80.9 Ų | 80.9 | 99% | 0.989 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -66.2 | -24.3 | 174.2 | -73.2 | -176.2 | 178.4 | -176.7 | -0.1 | 112.8 | ||
| 205 | E | 46.3 | Very low | 67.1 | Low | 150 Ų | 150 | 82.8 Ų | 82.8 | 70% | 0.701 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -100.3 | 123.1 | 171.2 | -66.4 | 166.4 | -172.9 | 0 | 0 | 106.5 | S203 I207 | S203-E205 VanDerWaalsContact CB-O 3.26Å; S203-E205 WeakPolarHBondContact CB-O 3.43Å; S203-E205 PolarHBondContact O-N 2.86Å; S203-E205 PolarHBondContact OG-O 2.81Å; E205-I207 PolarHBondContact O-N 2.93Å |
| 206 | N | 40.7 | Very low | 65.8 | Low | 156 Ų | 156 | 84.6 Ų | 84.6 | 83% | 0.834 | 43% | 0.425 | S | S | * | . | trans | -62.6 | 48 | -173.4 | -71.7 | -46.6 | 0 | 0 | 0 | 115.3 | I208 | N206-I208 PolarHBondContact O-N 2.83Š| ||
| 207 | I | 42 | Very low | 64.8 | Low | 131 Ų | 131 | 90.7 Ų | 90.7 | 67% | 0.672 | 45% | 0.453 | S | S | * | . | trans | -84.7 | 89.9 | 172 | -54.8 | 179.3 | 0 | 0 | 0 | 107.2 | E205 E209 | E205-I207 PolarHBondContact O-N 2.93Å; I207-E209 PolarHBondContact O-N 2.87Å | ||
| 208 | I | 46.8 | Very low | 63.9 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | trans | -67.1 | 114.8 | 174.8 | -59.8 | 170.2 | 0 | 0 | 0 | 107.6 | N206 E210 | N206-I208 PolarHBondContact O-N 2.83Å; I208-E210 PolarHBondContact O-N 2.91Å; I208-E210 VanDerWaalsContact O-N 3.07Å | ||
| 209 | E | 53.4 | Low | 63.2 | Low | 100 Ų | 100 | 93.3 Ų | 93.3 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | trans | -55.3 | 114.4 | 160.6 | -97 | -177.9 | 157.4 | 0 | 0 | 107.7 | Y201 I207 N211 K239 | Y201-E209 WeakPolarHBondContact CD2-OE2 3.46Å; I207-E209 PolarHBondContact O-N 2.87Å; E209-N211 PolarHBondContact O-N 3.47Å; E209-N211 VanDerWaalsContact O-N 3.14Å; E209-K239 IonicContact OE1-NZ 3.88Å; E209-K239 IonicContact OE2-NZ 3.71Å; E209-K239 PolarHBondContact OE2-NZ 3.43Å | ||
| 210 | E | 46.8 | Very low | 62.4 | Low | 163 Ų | 163 | 96.4 Ų | 96.4 | 76% | 0.762 | 50% | 0.499 | S | S | * | . | trans | -66 | 113.4 | 176.9 | -82 | -168.5 | 161.7 | 0 | 0 | 110.1 | I208 V212 | I208-E210 PolarHBondContact O-N 2.91Å; I208-E210 VanDerWaalsContact O-N 3.07Å; E210-V212 HydrophobicContact CB-CG2 4.32Å; E210-V212 PolarHBondContact O-N 3.14Å; E210-V212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | N | 49.8 | Very low | 61.8 | Low | 40 Ų | 40 | 100 Ų | 100 | 21% | 0.214 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 10.6 | -176.7 | -138.5 | -39 | 0 | 0 | 0 | 113.8 | P198 E209 N213 S214 | P198-N211 WeakPolarHBondContact CB-ND2 3.02Å; P198-N211 WeakPolarHBondContact CG-ND2 3.29Å; E209-N211 PolarHBondContact O-N 3.47Å; E209-N211 VanDerWaalsContact O-N 3.14Å; N211-N213 VanDerWaalsContact C-N 3.28Å; N211-N213 PolarHBondContact O-N 3.24Å; N211-S214 PolarHBondContact O-N 3.25Å |
| 212 | V | 45.8 | Very low | 61.8 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -31 | -169.6 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | E210 S216 | E210-V212 HydrophobicContact CB-CG2 4.32Å; E210-V212 PolarHBondContact O-N 3.14Å; E210-V212 VanDerWaalsContact O-N 3.13Å; V212-S216 PolarHBondContact O-OG 3.01Å |
| 213 | N | 54 | Low | 62.3 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.1 | -27 | -179.3 | -70.9 | -20.4 | 0 | 0 | 0 | 113.5 | N211 S216 Q217 | N211-N213 VanDerWaalsContact C-N 3.28Å; N211-N213 PolarHBondContact O-N 3.24Å; N213-S216 PolarHBondContact O-OG 3.08Å; N213-Q217 WeakPolarHBondContact O-CB 3.28Å; N213-Q217 WeakPolarHBondContact O-CG 3.18Å; N213-Q217 PolarHBondContact O-N 3.25Å |
| 214 | S | 63.4 | Low | 63.4 | Low | 41 Ų | 41 | 97.8 Ų | 97.8 | 29% | 0.287 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -78.3 | -38.5 | -177.4 | -62 | 0 | 0 | 0 | 0 | 112.5 | N211 I218 | N211-S214 PolarHBondContact O-N 3.25Å; S214-I218 WeakPolarHBondContact O-CD1 3.48Å; S214-I218 WeakPolarHBondContact O-CG1 3.3Å; S214-I218 PolarHBondContact O-N 3.49Å; S214-I218 VanDerWaalsContact O-N 3.11Å |
| 215 | L | 73.8 | Confident | 65.2 | Low | 41 Ų | 41 | 87.5 Ų | 87.5 | 22% | 0.215 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.9 | -73.2 | 164.2 | 0 | 0 | 0 | 112.5 | L196 I218 S219 V228 A230 | L196-L215 HydrophobicContact CB-CD2 4.42Å; L196-L215 HydrophobicContact CD2-CD2 3.84Å; L196-L215 HydrophobicContact CD2-CG 4.48Å; L215-I218 PolarHBondContact O-N 2.84Å; L215-S219 VanDerWaalsContact O-CB 3.32Å; L215-S219 WeakPolarHBondContact O-CB 3.43Å; L215-S219 PolarHBondContact O-N 3.09Å; L215-S219 PolarHBondContact O-OG 3.12Å; L215-V228 HydrophobicContact CD2-CB 4.32Å; L215-V228 HydrophobicContact CD2-CG1 3.66Å; L215-A230 HydrophobicContact CD1-CB 4.1Å |
| 216 | S | 68.6 | Low | 67.3 | Low | 70 Ų | 70 | 80.9 Ų | 80.9 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | V212 N213 A220 | V212-S216 PolarHBondContact O-OG 3.01Å; N213-S216 PolarHBondContact O-OG 3.08Å; S216-A220 PolarHBondContact O-N 2.83Å; S216-A220 VanDerWaalsContact O-N 3.16Å |
| 217 | Q | 74.7 | Confident | 69.8 | Low | 132 Ų | 132 | 75.5 Ų | 75.5 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 175.2 | -74.8 | 174.7 | 1.8 | 0 | 0 | 112.3 | N213 S219 A220 | N213-Q217 WeakPolarHBondContact O-CB 3.28Å; N213-Q217 WeakPolarHBondContact O-CG 3.18Å; N213-Q217 PolarHBondContact O-N 3.25Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; Q217-A220 PolarHBondContact O-N 3.05Å |
| 218 | I | 79.3 | Confident | 72.2 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | -179.5 | -60.4 | 166.6 | 0 | 0 | 0 | 110.6 | W145 P174 S176 F179 L196 S214 L215 A220 L222 V228 | W145-I218 HydrophobicContact CH2-CG2 3.93Å; W145-I218 HydrophobicContact CZ2-CG2 4.34Å; P174-I218 HydrophobicContact CB-CD1 4.23Å; P174-I218 HydrophobicContact CB-CG1 4.32Å; P174-I218 HydrophobicContact CG-CD1 4.13Å; P174-I218 HydrophobicContact CG-CG1 3.88Å; P174-I218 HydrophobicContact CG-CG2 4.15Å; S176-I218 WeakPolarHBondContact OG-CD1 3.35Å; F179-I218 HydrophobicContact CZ-CD1 4.31Å; L196-I218 HydrophobicContact CD2-CD1 4.25Å; S214-I218 WeakPolarHBondContact O-CD1 3.48Å; S214-I218 WeakPolarHBondContact O-CG1 3.3Å; S214-I218 PolarHBondContact O-N 3.49Å; S214-I218 VanDerWaalsContact O-N 3.11Å; L215-I218 PolarHBondContact O-N 2.84Å; I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 2.87Å; I218-L222 HydrophobicContact CG2-CD1 4.11Å; I218-L222 WeakPolarHBondContact O-CG 3.47Å; I218-V228 HydrophobicContact CB-CG2 4.48Å; I218-V228 HydrophobicContact CG2-CG2 3.81Å |
| 219 | S | 79.4 | Confident | 74.4 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70 | -26.2 | -177.7 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | L215 Q217 D221 L222 | L215-S219 VanDerWaalsContact O-CB 3.32Å; L215-S219 WeakPolarHBondContact O-CB 3.43Å; L215-S219 PolarHBondContact O-N 3.09Å; L215-S219 PolarHBondContact O-OG 3.12Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; S219-D221 VanDerWaalsContact C-N 3.26Å; S219-D221 PolarHBondContact O-N 3.44Å; S219-L222 PolarHBondContact O-N 3.47Å |
| 220 | A | 77.9 | Confident | 76.1 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -31 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S216 Q217 I218 | S216-A220 PolarHBondContact O-N 2.83Å; S216-A220 VanDerWaalsContact O-N 3.16Å; Q217-A220 PolarHBondContact O-N 3.05Å; I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 2.87Å |
| 221 | D | 78.4 | Confident | 77.9 | Confident | 119 Ų | 119 | 57.8 Ų | 57.8 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.1 | -176.1 | -64.9 | -32.8 | 0 | 0 | 0 | 112.9 | Q171 S219 | Q171-D221 PolarHBondContact NE2-O 2.87Å; S219-D221 VanDerWaalsContact C-N 3.26Å; S219-D221 PolarHBondContact O-N 3.44Å |
| 222 | L | 87.3 | Confident | 79.6 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -91.1 | 147.8 | -174.2 | -73.1 | 173.6 | 0 | 0 | 0 | 112.8 | W145 F147 L194 I218 S219 V226 V228 | W145-L222 HydrophobicContact CZ2-CD2 3.82Å; F147-L222 HydrophobicContact CD2-CD2 4.23Å; F147-L222 HydrophobicContact CE2-CD2 3.48Å; F147-L222 VanDerWaalsContact CE2-CD2 3.48Å; F147-L222 HydrophobicContact CZ-CD2 4.11Å; L194-L222 HydrophobicContact CD1-CD1 4.04Å; I218-L222 HydrophobicContact CG2-CD1 4.11Å; I218-L222 WeakPolarHBondContact O-CG 3.47Å; S219-L222 PolarHBondContact O-N 3.47Å; L222-V226 HydrophobicContact CB-CB 4.25Å; L222-V226 HydrophobicContact CB-CG1 4.45Å; L222-V226 HydrophobicContact CD1-CG1 3.99Å; L222-V226 HydrophobicContact CD2-CG1 4.22Å; L222-V226 HydrophobicContact CG-CG1 4.46Å; L222-V228 HydrophobicContact CD1-CG2 3.35Å |
| 223 | P | 86.9 | Confident | 81.6 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 24% | 0.24 | 39% | 0.392 | C | S | . | . | trans | -60.2 | 152 | 173.3 | -20.8 | 31.8 | 0 | 0 | 0 | 112.2 | F147 F225 V226 | F147-P223 HydrophobicContact CB-CG 4.01Å; F147-P223 HydrophobicContact CD2-CG 4.31Å; F147-P223 HydrophobicContact CG-CG 4.4Å; P223-F225 HydrophobicContact CB-CD1 3.83Å; P223-F225 HydrophobicContact CB-CE1 3.37Å; P223-F225 HydrophobicContact CB-CE2 4.25Å; P223-F225 HydrophobicContact CB-CG 4.44Å; P223-F225 HydrophobicContact CB-CZ 3.61Å; P223-F225 HydrophobicContact CG-CE1 4.16Å; P223-F225 HydrophobicContact CG-CZ 3.93Å; P223-F225 PolarHBondContact O-N 2.8Å; P223-V226 HydrophobicContact CB-CG2 4.27Å; P223-V226 HydrophobicContact CG-CG2 4.26Å; P223-V226 WeakPolarHBondContact O-CB 3.48Å; P223-V226 PolarHBondContact O-N 2.91Å | ||
| 224 | A | 86.9 | Confident | 83.2 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 94% | 0.942 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V226 | A224-V226 VanDerWaalsContact C-N 3.3Š|
| 225 | F | 86.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 20% | 0.197 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.4 | 176 | 61.4 | -97.2 | 0 | 0 | 0 | 113.4 | F147 C191 I192 P223 | F147-F225 HydrophobicContact CB-CE2 3.93Å; F147-F225 HydrophobicContact CB-CZ 3.84Å; F147-F225 HydrophobicContact CD1-CE2 4.45Å; C191-F225 PolarHBondContact SG-O 3Å; I192-F225 HydrophobicContact CD1-CD2 4.43Å; I192-F225 HydrophobicContact CD1-CE2 4.25Å; I192-F225 PolarHBondContact N-O 3.32Å; P223-F225 HydrophobicContact CB-CD1 3.83Å; P223-F225 HydrophobicContact CB-CE1 3.37Å; P223-F225 HydrophobicContact CB-CE2 4.25Å; P223-F225 HydrophobicContact CB-CG 4.44Å; P223-F225 HydrophobicContact CB-CZ 3.61Å; P223-F225 HydrophobicContact CG-CE1 4.16Å; P223-F225 HydrophobicContact CG-CZ 3.93Å; P223-F225 PolarHBondContact O-N 2.8Å |
| 226 | V | 90.9 | Very high | 85.6 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 7% | 0.073 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.6 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | F147 I192 L194 L222 P223 A224 | F147-V226 HydrophobicContact CD1-CG2 3.65Å; F147-V226 HydrophobicContact CD2-CG2 4.33Å; F147-V226 HydrophobicContact CE1-CG1 4Å; F147-V226 HydrophobicContact CE1-CG2 3.84Å; F147-V226 HydrophobicContact CE2-CG2 4.5Å; F147-V226 HydrophobicContact CG-CG2 3.92Å; F147-V226 HydrophobicContact CZ-CG1 3.94Å; F147-V226 HydrophobicContact CZ-CG2 4.28Å; I192-V226 HydrophobicContact CB-CG1 4.26Å; I192-V226 HydrophobicContact CB-CG2 4.27Å; I192-V226 HydrophobicContact CD1-CG2 4.37Å; I192-V226 HydrophobicContact CG2-CG1 4.22Å; I192-V226 WeakPolarHBondContact O-CA 3.39Å; L194-V226 HydrophobicContact CD1-CG1 3.84Å; L194-V226 HydrophobicContact CG-CG1 3.96Å; L222-V226 HydrophobicContact CB-CB 4.25Å; L222-V226 HydrophobicContact CB-CG1 4.45Å; L222-V226 HydrophobicContact CD1-CG1 3.99Å; L222-V226 HydrophobicContact CD2-CG1 4.22Å; L222-V226 HydrophobicContact CG-CG1 4.46Å; P223-V226 HydrophobicContact CB-CG2 4.27Å; P223-V226 HydrophobicContact CG-CG2 4.26Å; P223-V226 WeakPolarHBondContact O-CB 3.48Å; P223-V226 PolarHBondContact O-N 2.91Å; A224-V226 VanDerWaalsContact C-N 3.3Å |
| 227 | S | 91.8 | Very high | 86.9 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.5 | 175.4 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | I192 L194 | I192-S227 PolarHBondContact O-N 3.48Å; L194-S227 PolarHBondContact N-O 3.46Å |
| 228 | V | 93.3 | Very high | 87.9 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.4 | 173.4 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | F179 L194 L196 L215 I218 L222 | F179-V228 HydrophobicContact CE1-CG1 4.46Å; L194-V228 HydrophobicContact CB-CG1 4.4Å; L194-V228 HydrophobicContact CB-CG2 4.22Å; L194-V228 HydrophobicContact CD1-CG2 4.16Å; L194-V228 WeakPolarHBondContact O-CA 3.34Å; L196-V228 HydrophobicContact CB-CG1 4.08Å; L215-V228 HydrophobicContact CD2-CB 4.32Å; L215-V228 HydrophobicContact CD2-CG1 3.66Å; I218-V228 HydrophobicContact CB-CG2 4.48Å; I218-V228 HydrophobicContact CG2-CG2 3.81Å; L222-V228 HydrophobicContact CD1-CG2 3.35Å |
| 229 | V | 92.8 | Very high | 88.6 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.9 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 110 | I193 L194 Q195 L196 | I193-V229 HydrophobicContact CG2-CB 4.45Å; I193-V229 HydrophobicContact CG2-CG1 4.09Å; I193-V229 HydrophobicContact CG2-CG2 3.5Å; L194-V229 PolarHBondContact O-N 3.36Å; Q195-V229 WeakPolarHBondContact CA-O 3.36Å; Q195-V229 HydrophobicContact CB-CG2 4.25Å; Q195-V229 HydrophobicContact CG-CG2 4.47Å; L196-V229 PolarHBondContact N-O 3.21Å |
| 230 | A | 88.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 147.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L215 | L215-A230 HydrophobicContact CD1-CB 4.1Å |
| 231 | N | 86.4 | Confident | 90.2 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | trans | -67.8 | 135 | 171.2 | 74.1 | 90.6 | 0 | 0 | 0 | 111.1 | Q195 L196 Y197 A233 K234 L235 | Q195-N231 HydrophobicContact CG-CB 3.93Å; Q195-N231 VanDerWaalsContact NE2-CB 3.27Å; L196-N231 PolarHBondContact O-N 2.72Å; L196-N231 PolarHBondContact O-ND2 3.33Å; L196-N231 VanDerWaalsContact O-ND2 3.09Å; Y197-N231 HydrophobicContact CD1-CB 3.85Å; Y197-N231 HydrophobicContact CE1-CB 3.53Å; N231-A233 VanDerWaalsContact C-N 3.28Å; N231-A233 PolarHBondContact O-N 2.62Å; N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 VanDerWaalsContact O-N 3.15Å; N231-K234 WeakPolarHBondContact OD1-CA 3.29Å; N231-K234 PolarHBondContact OD1-N 2.85Å; N231-L235 PolarHBondContact ND2-O 2.88Å; N231-L235 PolarHBondContact OD1-N 2.68Å | ||
| 232 | E | 84.5 | Confident | 91 | Very high | 189 Ų | 189 | 57.3 Ų | 57.3 | 88% | 0.883 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.2 | -175.2 | -62.7 | -177.7 | 172.5 | 0 | 0 | 112.8 | K234 | E232-K234 PolarHBondContact O-N 2.99Š|
| 233 | A | 87.5 | Confident | 91.3 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -2.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N231 L235 | N231-A233 VanDerWaalsContact C-N 3.28Å; N231-A233 PolarHBondContact O-N 2.62Å; A233-L235 HydrophobicContact CB-CD1 4.08Å; A233-L235 HydrophobicContact CB-CG 3.78Å; A233-L235 PolarHBondContact O-N 3.03Å; A233-L235 VanDerWaalsContact O-N 3.12Å |
| 234 | K | 88.8 | Confident | 91.6 | Very high | 164 Ų | 164 | 59.3 Ų | 59.3 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | trans | 53.4 | 26.7 | -177.3 | -58.5 | -179.4 | -179.5 | 177.7 | 0 | 114.3 | N231 E232 Y236 | N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 VanDerWaalsContact O-N 3.15Å; N231-K234 WeakPolarHBondContact OD1-CA 3.29Å; N231-K234 PolarHBondContact OD1-N 2.85Å; E232-K234 PolarHBondContact O-N 2.99Å; K234-Y236 WeakPolarHBondContact O-CD1 3.41Å | ||
| 235 | L | 93.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | trans | -65.1 | 151.1 | 172.4 | -58.6 | 175.7 | 0 | 0 | 0 | 110.7 | E105 L109 Y197 N231 A233 | E105-L235 HydrophobicContact CB-CD1 3.8Å; L109-L235 HydrophobicContact CD1-CB 3.45Å; L109-L235 VanDerWaalsContact CD1-CB 3.45Å; L109-L235 HydrophobicContact CD1-CD1 4.04Å; L109-L235 HydrophobicContact CD1-CG 4.32Å; Y197-L235 HydrophobicContact CD1-CB 4.07Å; Y197-L235 HydrophobicContact CE1-CB 4.35Å; Y197-L235 HydrophobicContact CE1-CD1 4.34Å; N231-L235 PolarHBondContact ND2-O 2.88Å; N231-L235 PolarHBondContact OD1-N 2.68Å; A233-L235 HydrophobicContact CB-CD1 4.08Å; A233-L235 HydrophobicContact CB-CG 3.78Å; A233-L235 PolarHBondContact O-N 3.03Å; A233-L235 VanDerWaalsContact O-N 3.12Å | ||
| 236 | Y | 94.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | trans | -150.1 | 165.3 | -175.2 | 56.4 | -91.4 | 0 | 0 | 0 | 110.3 | P198 K200 I202 K234 | P198-Y236 CarbonylContact O-C 3.42Å; P198-Y236 VanDerWaalsContact O-CA 3.29Å; P198-Y236 WeakPolarHBondContact O-CA 3.34Å; P198-Y236 VanDerWaalsContact O-CB 3.26Å; P198-Y236 WeakPolarHBondContact O-CB 3.47Å; K200-Y236 HydrophobicContact CB-CD2 3.85Å; K200-Y236 HydrophobicContact CB-CG 4.07Å; K200-Y236 HydrophobicContact CD-CD1 4.07Å; K200-Y236 HydrophobicContact CD-CD2 4.44Å; K200-Y236 HydrophobicContact CD-CG 3.86Å; K200-Y236 HydrophobicContact CG-CD2 4.48Å; K200-Y236 HydrophobicContact CG-CG 4.19Å; I202-Y236 HydrophobicContact CD1-CE2 4.32Å; I202-Y236 HydrophobicContact CG1-CE2 4.05Å; K234-Y236 WeakPolarHBondContact O-CD1 3.41Å | ||
| 237 | L | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 142.1 | 165.4 | -62.1 | 97.3 | 0 | 0 | 0 | 109.7 | L109 F112 S113 L178 Y197 P198 W199 K200 | L109-L237 HydrophobicContact CB-CG 4.49Å; L109-L237 HydrophobicContact CD2-CD1 3.66Å; L109-L237 HydrophobicContact CD2-CD2 4.44Å; L109-L237 HydrophobicContact CD2-CG 3.8Å; F112-L237 HydrophobicContact CB-CD2 3.67Å; S113-L237 VanDerWaalsContact OG-CA 3.28Å; S113-L237 WeakPolarHBondContact OG-CA 3.15Å; S113-L237 WeakPolarHBondContact OG-CB 3.46Å; L178-L237 HydrophobicContact CB-CD1 4.28Å; L178-L237 HydrophobicContact CD1-CD1 4.43Å; L178-L237 HydrophobicContact CD1-CD2 3.94Å; L178-L237 HydrophobicContact CD2-CD2 4.38Å; L178-L237 HydrophobicContact CG-CD1 3.8Å; L178-L237 HydrophobicContact CG-CD2 3.8Å; L178-L237 HydrophobicContact CG-CG 4.38Å; Y197-L237 WeakPolarHBondContact O-CD1 3.36Å; P198-L237 PolarHBondContact O-N 2.96Å; W199-L237 CarbonylContact C-O 3.48Å; W199-L237 WeakPolarHBondContact CA-O 3.31Å; W199-L237 HydrophobicContact CD2-CB 3.84Å; W199-L237 HydrophobicContact CE3-CB 3.25Å; W199-L237 HydrophobicContact CE3-CD2 4.34Å; W199-L237 HydrophobicContact CE3-CG 4.32Å; W199-L237 HydrophobicContact CH2-CB 4.07Å; W199-L237 HydrophobicContact CH2-CD2 3.61Å; W199-L237 HydrophobicContact CH2-CG 4.44Å; W199-L237 HydrophobicContact CZ2-CD2 3.98Å; W199-L237 HydrophobicContact CZ3-CB 3.39Å; W199-L237 HydrophobicContact CZ3-CD2 3.82Å; W199-L237 HydrophobicContact CZ3-CG 4.23Å; K200-L237 PolarHBondContact N-O 3.02Å |
| 238 | E | 95 | Very high | 92.5 | Very high | 98 Ų | 98 | 63.5 Ų | 63.5 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.6 | 173.4 | -179.4 | 170.8 | -171.9 | 0 | 0 | 110.1 | S113 W199 I202 | S113-E238 PolarHBondContact OG-N 2.84Å; W199-E238 VanDerWaalsContact CE3-O 3.27Å; W199-E238 WeakPolarHBondContact CZ3-O 3.31Å; I202-E238 HydrophobicContact CD1-CB 4.1Å; I202-E238 HydrophobicContact CD1-CG 3.78Å; I202-E238 WeakPolarHBondContact CD1-OE2 3.32Å; I202-E238 HydrophobicContact CG1-CB 4.45Å; I202-E238 HydrophobicContact CG1-CG 3.97Å |
| 239 | K | 94.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 127.5 | 174.5 | -75.8 | 177.5 | -179 | 173 | 0 | 109 | F137 W199 K200 Y201 E209 V241 | F137-K239 HydrophobicContact CD2-CG 4.13Å; F137-K239 HydrophobicContact CE2-CB 4.27Å; F137-K239 HydrophobicContact CE2-CD 3.86Å; F137-K239 HydrophobicContact CE2-CG 3.63Å; F137-K239 HydrophobicContact CZ-CD 4.28Å; F137-K239 HydrophobicContact CZ-CG 4.32Å; W199-K239 HydrophobicContact CB-CG 3.82Å; K200-K239 PolarHBondContact O-N 2.86Å; Y201-K239 HydrophobicContact CD1-CB 3.79Å; Y201-K239 HydrophobicContact CD1-CD 3.61Å; Y201-K239 HydrophobicContact CD1-CG 4.27Å; Y201-K239 HydrophobicContact CD2-CD 3.61Å; Y201-K239 HydrophobicContact CE1-CB 3.83Å; Y201-K239 HydrophobicContact CE1-CD 3.45Å; Y201-K239 VanDerWaalsContact CE1-CD 3.45Å; Y201-K239 HydrophobicContact CE1-CG 4.26Å; Y201-K239 HydrophobicContact CE2-CD 3.48Å; Y201-K239 VanDerWaalsContact CE2-CD 3.48Å; Y201-K239 HydrophobicContact CG-CB 4.5Å; Y201-K239 HydrophobicContact CG-CD 3.68Å; E209-K239 IonicContact OE1-NZ 3.88Å; E209-K239 IonicContact OE2-NZ 3.71Å; E209-K239 PolarHBondContact OE2-NZ 3.43Å; K239-V241 PolarHBondContact O-N 3.34Å |
| 240 | P | 95.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 71.2 Ų | 71.2 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -79.5 | 11.6 | -174.1 | 34.6 | -38.4 | 0 | 0 | 0 | 113.4 | F137 E555 | F137-P240 HydrophobicContact CB-CG 3.7Å; F137-P240 HydrophobicContact CD1-CG 4.2Å; F137-P240 HydrophobicContact CG-CG 4Å; P240-E555 HydrophobicContact CB-CG 3.93Å; P240-E555 HydrophobicContact CG-CG 4.1Å |
| 241 | V | 95.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -136.6 | 157.7 | -179.1 | -59.5 | 0 | 0 | 0 | 0 | 111 | F137 F138 Y201 K239 E555 V558 S559 | F137-V241 HydrophobicContact CD1-CG2 4.23Å; F137-V241 HydrophobicContact CE1-CG2 3.53Å; F137-V241 HydrophobicContact CZ-CG2 4.03Å; F138-V241 HydrophobicContact CE2-CG1 4.5Å; F138-V241 HydrophobicContact CZ-CG1 3.8Å; Y201-V241 WeakPolarHBondContact CE1-O 3.35Å; K239-V241 PolarHBondContact O-N 3.34Å; V241-E555 HydrophobicContact CG1-CB 4.33Å; V241-V558 HydrophobicContact CB-CG1 4.25Å; V241-V558 HydrophobicContact CG1-CB 4.03Å; V241-V558 HydrophobicContact CG1-CG1 3.91Å; V241-V558 HydrophobicContact CG2-CG1 4.42Å; V241-S559 VanDerWaalsContact CA-OG 3.27Å; V241-S559 WeakPolarHBondContact CA-OG 3.4Å |
| 242 | V | 94.1 | Very high | 90 | Very high | 64 Ų | 64 | 76.1 Ų | 76.1 | 39% | 0.388 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 152.6 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | S559 N562 | V242-S559 VanDerWaalsContact CG2-O 3.27Å; V242-S559 WeakPolarHBondContact CG2-O 3.24Å; V242-S559 PolarHBondContact N-OG 3.02Å; V242-N562 HydrophobicContact CG2-CB 3.8Å; V242-N562 WeakPolarHBondContact O-CB 3.09Å; V242-N562 PolarHBondContact O-ND2 3.11Å |
| 243 | P | 94.2 | Very high | 89.1 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 146.8 | 173.6 | -22.6 | 31.5 | 0 | 0 | 0 | 112.7 | Y201 N245 | Y201-P243 HydrophobicContact CD1-CG 3.66Å; Y201-P243 HydrophobicContact CD2-CG 4.04Å; Y201-P243 HydrophobicContact CE1-CB 4.22Å; Y201-P243 HydrophobicContact CE1-CG 3.67Å; Y201-P243 HydrophobicContact CE2-CB 4.18Å; Y201-P243 HydrophobicContact CE2-CG 4.03Å; Y201-P243 HydrophobicContact CG-CG 3.86Å; P243-N245 PolarHBondContact O-N 3.2Å |
| 244 | L | 94.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 126.7 | 173.1 | 178.8 | 64.3 | 0 | 0 | 0 | 109.7 | M246 I522 M523 L526 | L244-M246 HydrophobicContact CD2-SD 3.67Å; L244-M246 HydrophobicContact CG-SD 3.94Å; L244-M246 WeakPolarHBondContact O-CG 3.37Å; L244-M246 PolarHBondContact O-N 2.94Å; L244-M246 VanDerWaalsContact O-N 3.07Å; L244-I522 HydrophobicContact CD1-CG2 4.47Å; L244-I522 HydrophobicContact CD2-CG2 3.93Å; L244-M523 HydrophobicContact CD2-CB 3.97Å; L244-L526 HydrophobicContact CD2-CD1 4.44Å |
| 245 | N | 95.7 | Very high | 85.7 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 17% | 0.171 | 39% | 0.39 | C | S | . | . | trans | -67.5 | 106.8 | 174.7 | -176 | -16.9 | 0 | 0 | 0 | 110 | P243 M247 N562 S563 | P243-N245 PolarHBondContact O-N 3.2Å; N245-M247 WeakPolarHBondContact OD1-CB 3.41Å; N245-M247 WeakPolarHBondContact OD1-CG 3.32Å; N245-M247 PolarHBondContact OD1-N 2.95Å; N245-N562 WeakPolarHBondContact CB-O 3.38Å; N245-N562 PolarHBondContact N-O 3.3Å; N245-S563 PolarHBondContact ND2-O 2.98Å | ||
| 246 | M | 93.7 | Very high | 83.6 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | trans | -96.8 | 8.9 | 179 | -59.7 | -63.8 | -81.6 | 0 | 0 | 112.7 | L244 N519 M523 | L244-M246 HydrophobicContact CD2-SD 3.67Å; L244-M246 HydrophobicContact CG-SD 3.94Å; L244-M246 WeakPolarHBondContact O-CG 3.37Å; L244-M246 PolarHBondContact O-N 2.94Å; L244-M246 VanDerWaalsContact O-N 3.07Å; M246-N519 HydrophobicContact CE-CB 3.66Å; M246-N519 PolarHBondContact O-ND2 2.78Å; M246-N519 HydrophobicContact SD-CB 3.8Å; M246-M523 HydrophobicContact CE-CB 4.41Å; M246-M523 HydrophobicContact CE-SD 4.09Å | ||
| 247 | M | 93.8 | Very high | 81.5 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 56% | 0.562 | 40% | 0.4 | S | S | * | . | trans | -57.5 | 149.1 | 179.6 | -67.9 | 179.4 | 64.9 | 0 | 0 | 110.6 | N245 W567 | N245-M247 WeakPolarHBondContact OD1-CB 3.41Å; N245-M247 WeakPolarHBondContact OD1-CG 3.32Å; N245-M247 PolarHBondContact OD1-N 2.95Å; M247-W567 HydrophobicContact CB-CH2 4.42Å; M247-W567 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 248 | L | 91.4 | Very high | 79.2 | Confident | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | trans | -112.5 | 149.1 | 171.2 | -63.2 | 178.2 | 0 | 0 | 0 | 108.3 | Q250 L515 E516 | L248-Q250 PolarHBondContact O-N 3.16Å; L248-L515 HydrophobicContact CD2-CB 3.9Å; L248-E516 HydrophobicContact CD1-CB 4.17Å; L248-E516 HydrophobicContact CD1-CG 4.41Å; L248-E516 HydrophobicContact CD2-CB 4.28Å | ||
| 249 | P | 88.1 | Confident | 76.9 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | trans | -66.2 | 136.7 | -179.2 | 30.2 | -34.6 | 0 | 0 | 0 | 109.8 | A251 L253 L515 W567 | P249-A251 VanDerWaalsContact C-N 3.3Å; P249-A251 WeakPolarHBondContact CB-O 3.18Å; P249-A251 PolarHBondContact O-N 3.33Å; P249-L253 HydrophobicContact CB-CD1 4.32Å; P249-L253 HydrophobicContact CB-CD2 4.22Å; P249-L253 HydrophobicContact CB-CG 3.9Å; P249-L253 HydrophobicContact CG-CD1 3.93Å; P249-L253 HydrophobicContact CG-CG 3.92Å; P249-L515 HydrophobicContact CG-CD1 3.9Å; P249-W567 HydrophobicContact CB-CH2 4.27Å; P249-W567 HydrophobicContact CB-CZ2 4.43Å; P249-W567 HydrophobicContact CB-CZ3 4.41Å; P249-W567 VanDerWaalsContact CD-CZ3 3.47Å; P249-W567 HydrophobicContact CG-CZ3 4.37Å | ||
| 250 | Q | 78 | Confident | 75 | Confident | 198 Ų | 198 | 79.5 Ų | 79.5 | 93% | 0.925 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -71.7 | -25 | -177.4 | -70 | 179.8 | -4.6 | 0 | 0 | 113 | L248 | L248-Q250 PolarHBondContact O-N 3.16Š|
| 251 | A | 74 | Confident | 72.9 | Confident | 75 Ų | 75 | 82 Ų | 82 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -120.9 | 162 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P249 L253 | P249-A251 VanDerWaalsContact C-N 3.3Å; P249-A251 WeakPolarHBondContact CB-O 3.18Å; P249-A251 PolarHBondContact O-N 3.33Å; A251-L253 PolarHBondContact O-N 3.41Å; A251-L253 VanDerWaalsContact O-N 3.13Å |
| 252 | A | 67.4 | Low | 70.8 | Confident | 95 Ų | 95 | 89 Ų | 89 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | trans | -57.5 | 121.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E254 | A252-E254 PolarHBondContact O-N 3.42Š| ||
| 253 | L | 65.5 | Low | 69.1 | Low | 85 Ų | 85 | 89.4 Ų | 89.4 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | trans | -54.9 | 116.6 | 175 | -75.3 | 160 | 0 | 0 | 0 | 107.7 | P249 A251 T255 L515 W567 | P249-L253 HydrophobicContact CB-CD1 4.32Å; P249-L253 HydrophobicContact CB-CD2 4.22Å; P249-L253 HydrophobicContact CB-CG 3.9Å; P249-L253 HydrophobicContact CG-CD1 3.93Å; P249-L253 HydrophobicContact CG-CG 3.92Å; A251-L253 PolarHBondContact O-N 3.41Å; A251-L253 VanDerWaalsContact O-N 3.13Å; L253-T255 PolarHBondContact O-N 2.98Å; L253-L515 HydrophobicContact CD1-CD1 3.88Å; L253-W567 HydrophobicContact CD1-CB 3.76Å; L253-W567 HydrophobicContact CD1-CD2 4.21Å; L253-W567 HydrophobicContact CD1-CG 3.87Å; L253-W567 HydrophobicContact CD2-CG 4.2Å | ||
| 254 | E | 53.2 | Low | 67.7 | Low | 160 Ų | 160 | 90.3 Ų | 90.3 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | trans | -59.1 | 111 | 171.2 | -71.1 | -174.1 | -179.4 | 0 | 0 | 107.1 | A252 H256 | A252-E254 PolarHBondContact O-N 3.42Å; E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 3.26Å | ||
| 255 | T | 52.7 | Low | 66.4 | Low | 74 Ų | 74 | 91.7 Ų | 91.7 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | trans | -68.7 | 94.7 | 172.4 | 17.2 | 0 | 0 | 0 | 0 | 106.8 | L253 C257 S258 | L253-T255 PolarHBondContact O-N 2.98Å; T255-C257 PolarHBondContact O-N 2.81Å; T255-S258 PolarHBondContact O-N 2.82Å | ||
| 256 | H | 49.3 | Very low | 65.6 | Low | 155 Ų | 155 | 92 Ų | 92 | 72% | 0.718 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 5.6 | 169.1 | -73.6 | -66.9 | 0 | 0 | 0 | 113.7 | E254 | E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 3.26Å |
| 257 | C | 50.8 | Low | 64.8 | Low | 15 Ų | 15 | 93.9 Ų | 93.9 | 10% | 0.101 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144 | 32.1 | -170.2 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | T255 N259 I260 L574 | T255-C257 PolarHBondContact O-N 2.81Å; C257-N259 PolarHBondContact O-N 2.74Å; C257-N259 VanDerWaalsContact O-N 3.08Å; C257-I260 HydrophobicContact CB-CB 4.16Å; C257-I260 HydrophobicContact CB-CD1 3.56Å; C257-I260 HydrophobicContact CB-CG1 3.82Å; C257-I260 PolarHBondContact O-N 2.83Å; C257-I260 VanDerWaalsContact O-N 3.12Å; C257-I260 VanDerWaalsContact SG-CD1 3.51Å; C257-L574 HydrophobicContact CB-CD2 3.96Å |
| 258 | S | 45.7 | Very low | 64.2 | Low | 89 Ų | 89 | 94.3 Ų | 94.3 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.1 | 176.3 | 36.1 | 0 | 0 | 0 | 0 | 114 | T255 | T255-S258 PolarHBondContact O-N 2.82Š|
| 259 | N | 48.1 | Very low | 63.7 | Low | 150 Ų | 150 | 91.1 Ų | 91.1 | 80% | 0.802 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2 | 176.3 | -72.1 | -19.2 | 0 | 0 | 0 | 115.3 | C257 | C257-N259 PolarHBondContact O-N 2.74Å; C257-N259 VanDerWaalsContact O-N 3.08Å |
| 260 | I | 54.4 | Low | 63.6 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 17% | 0.174 | 50% | 0.5 | C | S | . | . | trans | -96.8 | -8.2 | -171.8 | -52.4 | -172.8 | 0 | 0 | 0 | 113.2 | C257 N262 V263 T269 | C257-I260 HydrophobicContact CB-CB 4.16Å; C257-I260 HydrophobicContact CB-CD1 3.56Å; C257-I260 HydrophobicContact CB-CG1 3.82Å; C257-I260 PolarHBondContact O-N 2.83Å; C257-I260 VanDerWaalsContact O-N 3.12Å; C257-I260 VanDerWaalsContact SG-CD1 3.51Å; I260-N262 PolarHBondContact O-N 2.91Å; I260-V263 PolarHBondContact O-N 3.02Å; I260-T269 HydrophobicContact CD1-CG2 4.3Å; I260-T269 HydrophobicContact CG2-CG2 3.95Å | ||
| 261 | S | 50.9 | Low | 64 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 57% | 0.566 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.7 | -170.6 | 72.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 262 | N | 52.6 | Low | 64.6 | Low | 154 Ų | 154 | 83.8 Ų | 83.8 | 82% | 0.824 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 2.1 | -177.3 | -71.7 | -17.4 | 0 | 0 | 0 | 114.9 | I260 | I260-N262 PolarHBondContact O-N 2.91Š|
| 263 | V | 57.9 | Low | 65.5 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -98.3 | 138.2 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | I260 | I260-V263 PolarHBondContact O-N 3.02Š|
| 264 | P | 64 | Low | 66.6 | Low | 93 Ų | 93 | 77 Ų | 77 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | trans | -54.5 | 149.7 | 173.7 | 19.9 | -31.2 | 0 | 0 | 0 | 111.2 | T266 | P264-T266 WeakPolarHBondContact O-CG2 3.39Å; P264-T266 PolarHBondContact O-N 2.73Å | ||
| 265 | P | 67.5 | Low | 68.3 | Low | 54 Ų | 54 | 74.9 Ų | 74.9 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | trans | -64 | 107.8 | -178.5 | 28 | -35.3 | 0 | 0 | 0 | 109.9 | I578 | P265-I578 HydrophobicContact CB-CD1 3.64Å; P265-I578 HydrophobicContact CB-CG1 3.43Å; P265-I578 VanDerWaalsContact CB-CG1 3.43Å | ||
| 266 | T | 78.3 | Confident | 70.2 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | trans | -113.4 | 161.7 | -179.4 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | P264 E268 T269 | P264-T266 WeakPolarHBondContact O-CG2 3.39Å; P264-T266 PolarHBondContact O-N 2.73Å; T266-E268 WeakPolarHBondContact CB-OE2 3.41Å; T266-E268 PolarHBondContact O-N 2.89Å; T266-E268 PolarHBondContact OG1-N 3.11Å; T266-E268 PolarHBondContact OG1-OE2 3.41Å; T266-T269 WeakPolarHBondContact O-CB 3.11Å; T266-T269 PolarHBondContact O-N 3.29Å | ||
| 267 | R | 77.6 | Confident | 72.3 | Confident | 114 Ų | 114 | 72 Ų | 72 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 176.6 | -176.7 | -179.8 | 178.2 | 172.9 | 2.8 | 111.4 | T269 L270 Q271 L598 | R267-T269 PolarHBondContact O-N 3.27Å; R267-L270 PolarHBondContact O-N 2.89Å; R267-L270 VanDerWaalsContact O-N 3.08Å; R267-Q271 PolarHBondContact O-N 2.84Å; R267-L598 HydrophobicContact CB-CD1 4.44Å |
| 268 | E | 80.3 | Confident | 74.3 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60 | -35.3 | 179.4 | -60.5 | 69.6 | -146.1 | 0 | 0 | 110.9 | T266 L270 Q271 V272 | T266-E268 WeakPolarHBondContact CB-OE2 3.41Å; T266-E268 PolarHBondContact O-N 2.89Å; T266-E268 PolarHBondContact OG1-N 3.11Å; T266-E268 PolarHBondContact OG1-OE2 3.41Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.28Å; E268-Q271 WeakPolarHBondContact O-CB 3.49Å; E268-Q271 PolarHBondContact O-N 3.11Å; E268-V272 WeakPolarHBondContact O-CG2 3.34Å; E268-V272 PolarHBondContact O-N 3.36Å; E268-V272 VanDerWaalsContact O-N 3.12Å |
| 269 | T | 80.9 | Confident | 76.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | I260 T266 R267 F273 I578 | I260-T269 HydrophobicContact CD1-CG2 4.3Å; I260-T269 HydrophobicContact CG2-CG2 3.95Å; T266-T269 WeakPolarHBondContact O-CB 3.11Å; T266-T269 PolarHBondContact O-N 3.29Å; R267-T269 PolarHBondContact O-N 3.27Å; T269-F273 VanDerWaalsContact O-CD2 3.23Å; T269-F273 WeakPolarHBondContact O-CD2 3.34Å; T269-I578 HydrophobicContact CG2-CG2 4.14Å |
| 270 | L | 86.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.6 | -36.2 | 175.7 | -67.3 | 179.3 | 0 | 0 | 0 | 111.4 | R267 E268 V272 F273 L274 I578 L582 R585 L586 V589 A597 L598 | R267-L270 PolarHBondContact O-N 2.89Å; R267-L270 VanDerWaalsContact O-N 3.08Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.28Å; L270-V272 VanDerWaalsContact C-N 3.26Å; L270-V272 PolarHBondContact O-N 2.84Å; L270-F273 PolarHBondContact O-N 2.56Å; L270-F273 VanDerWaalsContact O-N 3.15Å; L270-L274 PolarHBondContact O-N 3.03Å; L270-I578 HydrophobicContact CD2-CD1 4.28Å; L270-I578 HydrophobicContact CD2-CG2 4.01Å; L270-I578 HydrophobicContact CG-CD1 4.16Å; L270-L582 HydrophobicContact CD2-CD1 3.81Å; L270-R585 HydrophobicContact CD1-CB 4.18Å; L270-R585 HydrophobicContact CD2-CB 4.22Å; L270-L586 HydrophobicContact CB-CD2 3.96Å; L270-L586 HydrophobicContact CD2-CD2 3.9Å; L270-L586 HydrophobicContact CG-CD2 4.49Å; L270-L586 WeakPolarHBondContact O-CD2 3.21Å; L270-V589 HydrophobicContact CB-CG2 4.4Å; L270-V589 HydrophobicContact CD1-CG2 3.85Å; L270-A597 HydrophobicContact CD1-CB 4.27Å; L270-L598 HydrophobicContact CD1-CD2 3.65Å; L270-L598 HydrophobicContact CG-CD2 4.21Å |
| 271 | Q | 85.6 | Confident | 80.9 | Confident | 84 Ų | 84 | 75 Ų | 75 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -31.5 | -178.7 | -160.5 | 67.4 | 45.4 | 0 | 0 | 112.8 | R267 E268 F273 L274 | R267-Q271 PolarHBondContact O-N 2.84Å; E268-Q271 WeakPolarHBondContact O-CB 3.49Å; E268-Q271 PolarHBondContact O-N 3.11Å; Q271-F273 VanDerWaalsContact C-N 3.35Å; Q271-F273 PolarHBondContact O-N 2.92Å; Q271-L274 WeakPolarHBondContact O-CB 3.48Å; Q271-L274 PolarHBondContact O-N 2.87Å |
| 272 | V | 86.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E268 L270 L274 T275 | E268-V272 WeakPolarHBondContact O-CG2 3.34Å; E268-V272 PolarHBondContact O-N 3.36Å; E268-V272 VanDerWaalsContact O-N 3.12Å; L270-V272 VanDerWaalsContact C-N 3.26Å; L270-V272 PolarHBondContact O-N 2.84Å; V272-L274 PolarHBondContact O-N 3.09Å; V272-T275 WeakPolarHBondContact O-CB 3.2Å; V272-T275 PolarHBondContact O-N 3.17Å; V272-T275 VanDerWaalsContact O-N 3.08Å; V272-T275 PolarHBondContact O-OG1 3.23Å |
| 273 | F | 86.9 | Confident | 85.4 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 177.4 | -68.1 | -81.8 | 0 | 0 | 0 | 112.6 | T269 L270 Q271 T275 D276 I279 L574 L582 L586 | T269-F273 VanDerWaalsContact O-CD2 3.23Å; T269-F273 WeakPolarHBondContact O-CD2 3.34Å; L270-F273 PolarHBondContact O-N 2.56Å; L270-F273 VanDerWaalsContact O-N 3.15Å; Q271-F273 VanDerWaalsContact C-N 3.35Å; Q271-F273 PolarHBondContact O-N 2.92Å; F273-T275 PolarHBondContact O-N 3.05Å; F273-D276 PolarHBondContact O-N 3.23Å; F273-I279 HydrophobicContact CB-CD1 4.38Å; F273-I279 HydrophobicContact CB-CG2 4.43Å; F273-I279 HydrophobicContact CD1-CD1 3.89Å; F273-L574 HydrophobicContact CE2-CD1 3.97Å; F273-L574 HydrophobicContact CZ-CD1 3.73Å; F273-L582 HydrophobicContact CD2-CD1 4.5Å; F273-L582 HydrophobicContact CE1-CD2 4.26Å; F273-L582 HydrophobicContact CZ-CD2 4.4Å; F273-L586 HydrophobicContact CB-CD1 3.84Å; F273-L586 HydrophobicContact CB-CD2 3.74Å; F273-L586 HydrophobicContact CB-CG 4.47Å; F273-L586 HydrophobicContact CG-CD1 4.36Å; F273-L586 HydrophobicContact CG-CD2 4.44Å |
| 274 | L | 88.3 | Confident | 87.3 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.5 | 177.7 | -59.9 | 177.5 | 0 | 0 | 0 | 113.6 | L270 Q271 V272 I283 L586 V589 E590 | L270-L274 PolarHBondContact O-N 3.03Å; Q271-L274 WeakPolarHBondContact O-CB 3.48Å; Q271-L274 PolarHBondContact O-N 2.87Å; V272-L274 PolarHBondContact O-N 3.09Å; L274-I283 HydrophobicContact CD2-CD1 3.49Å; L274-I283 VanDerWaalsContact CD2-CD1 3.49Å; L274-L586 HydrophobicContact CD2-CB 4.18Å; L274-L586 HydrophobicContact CD2-CD2 4.1Å; L274-L586 HydrophobicContact CG-CD2 4.23Å; L274-V589 HydrophobicContact CD1-CB 4.28Å; L274-V589 HydrophobicContact CD1-CG1 3.66Å; L274-E590 HydrophobicContact CD2-CG 4.07Å |
| 275 | T | 88.9 | Confident | 88.9 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 70% | 0.699 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.7 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | V272 F273 | V272-T275 WeakPolarHBondContact O-CB 3.2Å; V272-T275 PolarHBondContact O-N 3.17Å; V272-T275 VanDerWaalsContact O-N 3.08Å; V272-T275 PolarHBondContact O-OG1 3.23Å; F273-T275 PolarHBondContact O-N 3.05Å |
| 276 | D | 91.8 | Very high | 90.4 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | trans | -80.2 | 125.4 | 176.2 | -175.6 | -58.9 | 0 | 0 | 0 | 110.4 | F273 H278 I279 K280 | F273-D276 PolarHBondContact O-N 3.23Å; D276-H278 WeakPolarHBondContact OD1-CA 3.28Å; D276-H278 WeakPolarHBondContact OD1-CB 3.26Å; D276-H278 PolarHBondContact OD1-N 3.46Å; D276-I279 HydrophobicContact CB-CB 4.01Å; D276-I279 HydrophobicContact CB-CD1 3.91Å; D276-I279 HydrophobicContact CB-CG1 3.97Å; D276-I279 PolarHBondContact OD1-N 3.3Å; D276-K280 WeakPolarHBondContact O-CB 3.06Å; D276-K280 PolarHBondContact O-N 2.63Å | ||
| 277 | V | 93.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 62% | 0.618 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | -175.6 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | K280 E281 | V277-K280 PolarHBondContact O-N 3.15Å; V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.03Å |
| 278 | H | 94.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | -179.9 | 174.7 | 72.7 | 0 | 0 | 0 | 110.6 | D276 K280 E281 V282 E568 | D276-H278 WeakPolarHBondContact OD1-CA 3.28Å; D276-H278 WeakPolarHBondContact OD1-CB 3.26Å; D276-H278 PolarHBondContact OD1-N 3.46Å; H278-K280 VanDerWaalsContact C-N 3.26Å; H278-K280 PolarHBondContact O-N 3.26Å; H278-E281 PolarHBondContact O-N 3.03Å; H278-V282 WeakPolarHBondContact O-CG2 3.11Å; H278-V282 PolarHBondContact O-N 3.19Å; H278-E568 IonicContact NE2-OE1 3.37Å; H278-E568 IonicContact NE2-OE2 3.25Å; H278-E568 PolarHBondContact NE2-OE2 3.22Å |
| 279 | I | 93.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 55 Ų | 55 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 177.3 | -66.1 | -177.9 | 0 | 0 | 0 | 110.4 | F273 D276 V282 I283 L586 | F273-I279 HydrophobicContact CB-CD1 4.38Å; F273-I279 HydrophobicContact CB-CG2 4.43Å; F273-I279 HydrophobicContact CD1-CD1 3.89Å; D276-I279 HydrophobicContact CB-CB 4.01Å; D276-I279 HydrophobicContact CB-CD1 3.91Å; D276-I279 HydrophobicContact CB-CG1 3.97Å; D276-I279 PolarHBondContact OD1-N 3.3Å; I279-V282 PolarHBondContact O-N 3.35Å; I279-I283 HydrophobicContact CG2-CD1 3.59Å; I279-I283 HydrophobicContact CG2-CG1 4.31Å; I279-I283 VanDerWaalsContact O-CD1 3.3Å; I279-I283 WeakPolarHBondContact O-CD1 3.13Å; I279-I283 WeakPolarHBondContact O-CG1 3.25Å; I279-I283 PolarHBondContact O-N 2.95Å; I279-L586 HydrophobicContact CG2-CD1 3.9Å |
| 280 | K | 95.5 | Very high | 94.2 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 178.3 | -168.4 | 172 | -174.5 | 173.3 | 0 | 112.9 | D276 V277 H278 I283 Q284 | D276-K280 WeakPolarHBondContact O-CB 3.06Å; D276-K280 PolarHBondContact O-N 2.63Å; V277-K280 PolarHBondContact O-N 3.15Å; H278-K280 VanDerWaalsContact C-N 3.26Å; H278-K280 PolarHBondContact O-N 3.26Å; K280-I283 PolarHBondContact O-N 2.69Å; K280-Q284 PolarHBondContact O-N 3.34Å |
| 281 | E | 97.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.8 | -73.6 | 175.9 | -175.8 | 0 | 0 | 111.7 | V277 H278 I283 Q284 Q285 | V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.03Å; H278-E281 PolarHBondContact O-N 3.03Å; E281-I283 VanDerWaalsContact C-N 3.34Å; E281-I283 PolarHBondContact O-N 3.35Å; E281-Q284 PolarHBondContact O-N 2.85Å; E281-Q285 VanDerWaalsContact O-CG 3.31Å; E281-Q285 WeakPolarHBondContact O-CG 3.33Å; E281-Q285 PolarHBondContact O-N 3.21Å |
| 282 | V | 98.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | H278 I279 Q285 F286 F560 L564 L583 | H278-V282 WeakPolarHBondContact O-CG2 3.11Å; H278-V282 PolarHBondContact O-N 3.19Å; I279-V282 PolarHBondContact O-N 3.35Å; V282-Q285 PolarHBondContact O-N 2.66Å; V282-F286 WeakPolarHBondContact O-CB 3.22Å; V282-F286 PolarHBondContact O-N 2.89Å; V282-F560 HydrophobicContact CG1-CZ 4.1Å; V282-F560 WeakPolarHBondContact O-CZ 3.36Å; V282-L564 HydrophobicContact CG1-CD1 3.67Å; V282-L564 HydrophobicContact CG1-CD2 4.03Å; V282-L583 HydrophobicContact CG1-CD1 3.98Å |
| 283 | I | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.3 | -67.8 | 156.5 | 0 | 0 | 0 | 111.2 | L274 I279 K280 E281 F286 I287 L583 L586 A587 E590 | L274-I283 HydrophobicContact CD2-CD1 3.49Å; L274-I283 VanDerWaalsContact CD2-CD1 3.49Å; I279-I283 HydrophobicContact CG2-CD1 3.59Å; I279-I283 HydrophobicContact CG2-CG1 4.31Å; I279-I283 VanDerWaalsContact O-CD1 3.3Å; I279-I283 WeakPolarHBondContact O-CD1 3.13Å; I279-I283 WeakPolarHBondContact O-CG1 3.25Å; I279-I283 PolarHBondContact O-N 2.95Å; K280-I283 PolarHBondContact O-N 2.69Å; E281-I283 VanDerWaalsContact C-N 3.34Å; E281-I283 PolarHBondContact O-N 3.35Å; I283-F286 WeakPolarHBondContact O-CB 3.42Å; I283-F286 PolarHBondContact O-N 2.85Å; I283-I287 HydrophobicContact CG2-CD1 3.81Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CG1 3.31Å; I283-I287 PolarHBondContact O-N 2.95Å; I283-L583 HydrophobicContact CG1-CD1 3.88Å; I283-L586 HydrophobicContact CD1-CB 3.44Å; I283-L586 VanDerWaalsContact CD1-CB 3.44Å; I283-L586 HydrophobicContact CD1-CD1 3.98Å; I283-L586 HydrophobicContact CD1-CG 4.26Å; I283-L586 HydrophobicContact CG1-CB 3.88Å; I283-A587 HydrophobicContact CG2-CB 4.08Å; I283-E590 HydrophobicContact CG2-CB 4.3Å; I283-E590 HydrophobicContact CG2-CG 3.87Å |
| 284 | Q | 98.4 | Very high | 96.5 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | -180 | -173.7 | 59.3 | 56.4 | 0 | 0 | 110.9 | K280 E281 F286 I287 D288 | K280-Q284 PolarHBondContact O-N 3.34Å; E281-Q284 PolarHBondContact O-N 2.85Å; Q284-F286 VanDerWaalsContact C-N 3.29Å; Q284-F286 PolarHBondContact O-N 3.04Å; Q284-I287 PolarHBondContact O-N 2.83Å; Q284-D288 PolarHBondContact NE2-OD1 2.59Å; Q284-D288 PolarHBondContact NE2-OD2 3.02Å; Q284-D288 WeakPolarHBondContact O-CB 3.39Å; Q284-D288 PolarHBondContact O-N 2.85Å |
| 285 | Q | 98.6 | Very high | 96.9 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.9 | -69 | 174.9 | 27 | 0 | 0 | 111.8 | E281 V282 D288 V289 F560 | E281-Q285 VanDerWaalsContact O-CG 3.31Å; E281-Q285 WeakPolarHBondContact O-CG 3.33Å; E281-Q285 PolarHBondContact O-N 3.21Å; V282-Q285 PolarHBondContact O-N 2.66Å; Q285-D288 PolarHBondContact O-N 3.45Å; Q285-V289 WeakPolarHBondContact O-CG1 3.45Å; Q285-V289 PolarHBondContact O-N 2.97Å; Q285-F560 HydrophobicContact CB-CD2 4.46Å; Q285-F560 HydrophobicContact CB-CE2 3.57Å; Q285-F560 HydrophobicContact CB-CZ 3.93Å |
| 286 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.1 | -178.3 | -125.6 | 0 | 0 | 0 | 112.5 | V282 I283 Q284 D288 V289 L290 L500 F552 V557 F560 L561 L583 L584 A587 | V282-F286 WeakPolarHBondContact O-CB 3.22Å; V282-F286 PolarHBondContact O-N 2.89Å; I283-F286 WeakPolarHBondContact O-CB 3.42Å; I283-F286 PolarHBondContact O-N 2.85Å; Q284-F286 VanDerWaalsContact C-N 3.29Å; Q284-F286 PolarHBondContact O-N 3.04Å; F286-D288 VanDerWaalsContact C-N 3.3Å; F286-D288 PolarHBondContact O-N 2.91Å; F286-V289 HydrophobicContact CD2-CG1 4.4Å; F286-V289 WeakPolarHBondContact O-CG1 3.31Å; F286-L290 HydrophobicContact CE1-CD2 4.45Å; F286-L290 HydrophobicContact CZ-CD2 4.14Å; F286-L290 VanDerWaalsContact O-CB 3.25Å; F286-L290 WeakPolarHBondContact O-CB 3.42Å; F286-L290 PolarHBondContact O-N 3.3Å; F286-L500 HydrophobicContact CZ-CD1 4.34Å; F286-F552 HydrophobicContact CZ-CE1 4.06Å; F286-V557 HydrophobicContact CE2-CG1 4.35Å; F286-F560 HydrophobicContact CB-CD1 4.37Å; F286-F560 HydrophobicContact CB-CE1 3.5Å; F286-F560 VanDerWaalsContact CB-CE1 3.5Å; F286-F560 HydrophobicContact CB-CZ 3.93Å; F286-F560 AromaticContact CD2-CD1 3.86Å; F286-F560 HydrophobicContact CD2-CD1 3.86Å; F286-F560 AromaticContact CD2-CE1 3.7Å; F286-F560 HydrophobicContact CD2-CE1 3.7Å; F286-F560 AromaticContact CG-CE1 3.99Å; F286-F560 HydrophobicContact CG-CE1 3.99Å; F286-L561 HydrophobicContact CD2-CD2 3.93Å; F286-L561 HydrophobicContact CD2-CG 4.48Å; F286-L561 HydrophobicContact CE2-CD1 4.08Å; F286-L561 HydrophobicContact CE2-CD2 3.72Å; F286-L561 HydrophobicContact CE2-CG 4.08Å; F286-L561 HydrophobicContact CZ-CD2 4.47Å; F286-L583 HydrophobicContact CB-CD1 4.28Å; F286-L583 HydrophobicContact CB-CD2 4.3Å; F286-L583 HydrophobicContact CB-CG 4.39Å; F286-L583 HydrophobicContact CD1-CD1 4.32Å; F286-L583 HydrophobicContact CD1-CD2 4.18Å; F286-L583 HydrophobicContact CD1-CG 3.81Å; F286-L583 HydrophobicContact CD2-CD2 4.3Å; F286-L583 HydrophobicContact CE1-CG 4.28Å; F286-L583 HydrophobicContact CG-CD1 4.48Å; F286-L583 HydrophobicContact CG-CD2 3.99Å; F286-L583 HydrophobicContact CG-CG 4.08Å; F286-L584 HydrophobicContact CE1-CB 4.28Å; F286-L584 HydrophobicContact CE1-CD1 3.87Å; F286-L584 HydrophobicContact CZ-CD1 4.29Å; F286-A587 HydrophobicContact CD1-CB 3.89Å; F286-A587 HydrophobicContact CE1-CB 4.22Å |
| 287 | I | 98.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.6 | -72.1 | 169.7 | 0 | 0 | 0 | 110 | I283 Q284 L290 S291 L338 A587 E590 L591 | I283-I287 HydrophobicContact CG2-CD1 3.81Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CG1 3.31Å; I283-I287 PolarHBondContact O-N 2.95Å; Q284-I287 PolarHBondContact O-N 2.83Å; I287-L290 PolarHBondContact O-N 2.83Å; I287-S291 WeakPolarHBondContact O-CA 3.48Å; I287-S291 WeakPolarHBondContact O-CB 3.26Å; I287-S291 PolarHBondContact O-N 2.96Å; I287-L338 HydrophobicContact CG2-CD2 4.45Å; I287-A587 HydrophobicContact CD1-CB 4.13Å; I287-A587 HydrophobicContact CG1-CB 3.78Å; I287-E590 HydrophobicContact CD1-CB 3.76Å; I287-L591 HydrophobicContact CD1-CD2 4.27Å; I287-L591 HydrophobicContact CD1-CG 4.17Å; I287-L591 HydrophobicContact CG1-CD2 4.49Å; I287-L591 HydrophobicContact CG1-CG 4.44Å; I287-L591 HydrophobicContact CG2-CD2 3.95Å |
| 288 | D | 98.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.5 | -49 | -177 | -68.5 | -21.6 | 0 | 0 | 0 | 111.4 | Q284 Q285 F286 L290 S291 V292 | Q284-D288 PolarHBondContact NE2-OD1 2.59Å; Q284-D288 PolarHBondContact NE2-OD2 3.02Å; Q284-D288 WeakPolarHBondContact O-CB 3.39Å; Q284-D288 PolarHBondContact O-N 2.85Å; Q285-D288 PolarHBondContact O-N 3.45Å; F286-D288 VanDerWaalsContact C-N 3.3Å; F286-D288 PolarHBondContact O-N 2.91Å; D288-L290 PolarHBondContact O-N 2.88Å; D288-S291 WeakPolarHBondContact O-CB 3.4Å; D288-S291 PolarHBondContact O-N 3.35Å; D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 3.47Å |
| 289 | V | 98.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 179.1 | 72 | 0 | 0 | 0 | 0 | 111.6 | Q285 F286 V292 A293 N556 V557 F560 | Q285-V289 WeakPolarHBondContact O-CG1 3.45Å; Q285-V289 PolarHBondContact O-N 2.97Å; F286-V289 HydrophobicContact CD2-CG1 4.4Å; F286-V289 WeakPolarHBondContact O-CG1 3.31Å; V289-V292 PolarHBondContact O-N 2.9Å; V289-A293 PolarHBondContact O-N 3.19Å; V289-N556 HydrophobicContact CG2-CB 3.75Å; V289-V557 HydrophobicContact CG1-CG2 4.23Å; V289-V557 HydrophobicContact CG2-CG2 4.02Å; V289-F560 HydrophobicContact CG1-CB 4.09Å; V289-F560 HydrophobicContact CG1-CD1 4.05Å; V289-F560 HydrophobicContact CG1-CG 4.01Å |
| 290 | L | 98.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 176.7 | -173.8 | 61 | 0 | 0 | 0 | 111.9 | F286 I287 D288 A293 V294 V334 L338 P551 F552 V557 | F286-L290 HydrophobicContact CE1-CD2 4.45Å; F286-L290 HydrophobicContact CZ-CD2 4.14Å; F286-L290 VanDerWaalsContact O-CB 3.25Å; F286-L290 WeakPolarHBondContact O-CB 3.42Å; F286-L290 PolarHBondContact O-N 3.3Å; I287-L290 PolarHBondContact O-N 2.83Å; D288-L290 PolarHBondContact O-N 2.88Å; L290-A293 WeakPolarHBondContact O-CB 3.38Å; L290-A293 PolarHBondContact O-N 2.98Å; L290-V294 WeakPolarHBondContact O-CG2 3.46Å; L290-V294 PolarHBondContact O-N 3.46Å; L290-V334 HydrophobicContact CD2-CG1 3.8Å; L290-L338 HydrophobicContact CB-CD1 4.1Å; L290-L338 HydrophobicContact CD2-CD1 3.76Å; L290-L338 HydrophobicContact CG-CD1 3.63Å; L290-P551 HydrophobicContact CD1-CB 3.94Å; L290-F552 HydrophobicContact CD1-CD1 4.09Å; L290-F552 HydrophobicContact CD1-CE1 4.13Å; L290-F552 HydrophobicContact CD1-CG 4.46Å; L290-F552 HydrophobicContact CD2-CD1 4.46Å; L290-F552 HydrophobicContact CD2-CE1 3.72Å; L290-F552 HydrophobicContact CD2-CZ 3.95Å; L290-V557 HydrophobicContact CB-CG2 4.47Å; L290-V557 HydrophobicContact CD1-CG1 4.4Å; L290-V557 HydrophobicContact CD1-CG2 4.18Å |
| 291 | S | 98.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | I287 D288 V294 K295 H342 | I287-S291 WeakPolarHBondContact O-CA 3.48Å; I287-S291 WeakPolarHBondContact O-CB 3.26Å; I287-S291 PolarHBondContact O-N 2.96Å; D288-S291 WeakPolarHBondContact O-CB 3.4Å; D288-S291 PolarHBondContact O-N 3.35Å; S291-V294 PolarHBondContact O-N 2.93Å; S291-K295 VanDerWaalsContact O-CB 3.32Å; S291-K295 WeakPolarHBondContact O-CB 3.36Å; S291-K295 PolarHBondContact O-N 3.07Å; S291-H342 PolarHBondContact O-NE2 2.8Å; S291-H342 VanDerWaalsContact O-NE2 3.16Å; S291-H342 PolarHBondContact OG-CE1 3.31Å; S291-H342 PolarHBondContact OG-NE2 3.16Å |
| 292 | V | 98.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 42% | 0.418 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | D288 V289 V294 K295 K296 | D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 3.47Å; V289-V292 PolarHBondContact O-N 2.9Å; V292-V294 PolarHBondContact O-N 3.43Å; V292-K295 WeakPolarHBondContact O-CB 3.48Å; V292-K295 PolarHBondContact O-N 2.73Å; V292-K296 HydrophobicContact CG1-CD 4.34Å; V292-K296 WeakPolarHBondContact O-CG 3.27Å; V292-K296 PolarHBondContact O-N 2.79Å |
| 293 | A | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V289 L290 R297 D554 V557 | V289-A293 PolarHBondContact O-N 3.19Å; L290-A293 WeakPolarHBondContact O-CB 3.38Å; L290-A293 PolarHBondContact O-N 2.98Å; A293-R297 VanDerWaalsContact O-CD 3.29Å; A293-R297 WeakPolarHBondContact O-CD 3.31Å; A293-R297 WeakPolarHBondContact O-CG 3.37Å; A293-R297 PolarHBondContact O-N 3.31Å; A293-R297 PolarHBondContact O-NH1 3.5Å; A293-D554 HydrophobicContact CB-CB 3.54Å; A293-V557 HydrophobicContact CB-CG2 3.63Å |
| 294 | V | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L290 S291 V292 K296 R297 V298 L338 A339 L491 P551 | L290-V294 WeakPolarHBondContact O-CG2 3.46Å; L290-V294 PolarHBondContact O-N 3.46Å; S291-V294 PolarHBondContact O-N 2.93Å; V292-V294 PolarHBondContact O-N 3.43Å; V294-K296 PolarHBondContact O-N 2.99Å; V294-R297 CarbonylContact O-C 3.55Å; V294-R297 WeakPolarHBondContact O-CA 3.45Å; V294-R297 WeakPolarHBondContact O-CB 3.41Å; V294-R297 PolarHBondContact O-N 2.91Å; V294-V298 PolarHBondContact O-N 3.01Å; V294-L338 HydrophobicContact CB-CB 4.27Å; V294-L338 HydrophobicContact CG1-CB 4.26Å; V294-L338 HydrophobicContact CG2-CB 4.05Å; V294-L338 HydrophobicContact CG2-CD1 4.39Å; V294-A339 HydrophobicContact CG1-CB 4Å; V294-L491 HydrophobicContact CG1-CD1 4.45Å; V294-P551 HydrophobicContact CG2-CB 3.73Å; V294-P551 HydrophobicContact CG2-CG 3.93Å |
| 295 | K | 98.1 | Very high | 91 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -51.6 | -54.6 | 177.4 | -177.1 | 176.9 | 178.8 | 178.1 | 0 | 111.9 | S291 V292 R297 V298 L299 H342 | S291-K295 VanDerWaalsContact O-CB 3.32Å; S291-K295 WeakPolarHBondContact O-CB 3.36Å; S291-K295 PolarHBondContact O-N 3.07Å; V292-K295 WeakPolarHBondContact O-CB 3.48Å; V292-K295 PolarHBondContact O-N 2.73Å; K295-R297 PolarHBondContact O-N 3.04Å; K295-R297 VanDerWaalsContact O-N 3.11Å; K295-V298 PolarHBondContact O-N 2.83Å; K295-L299 HydrophobicContact CD-CD1 4.09Å; K295-L299 HydrophobicContact CG-CD1 3.43Å; K295-L299 VanDerWaalsContact CG-CD1 3.43Å; K295-L299 HydrophobicContact CG-CG 3.87Å; K295-L299 WeakPolarHBondContact O-CG 3.04Å; K295-L299 PolarHBondContact O-N 3.2Å; K295-L299 VanDerWaalsContact O-N 3.12Å; K295-H342 HydrophobicContact CB-CB 4.32Å; K295-H342 HydrophobicContact CG-CB 4.34Å |
| 296 | K | 95.6 | Very high | 88.3 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55 | -33.1 | 178.5 | -69.9 | 176.7 | -178.7 | -179.5 | 0 | 112.5 | F80 V292 V294 | F80-K296 HydrophobicContact CB-CB 4.28Å; F80-K296 HydrophobicContact CB-CD 4.35Å; F80-K296 HydrophobicContact CD1-CB 4.29Å; F80-K296 WeakPolarHBondContact CD1-O 3.35Å; F80-K296 WeakPolarHBondContact CE1-O 3.35Å; F80-K296 HydrophobicContact CG-CB 4.44Å; V292-K296 HydrophobicContact CG1-CD 4.34Å; V292-K296 WeakPolarHBondContact O-CG 3.27Å; V292-K296 PolarHBondContact O-N 2.79Å; V294-K296 PolarHBondContact O-N 2.99Å |
| 297 | R | 96.8 | Very high | 85.6 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.2 | -4.6 | -177.9 | -71.4 | 165 | 178.7 | 65 | 0.9 | 114.5 | F80 A293 V294 K295 L491 R549 F550 D554 | F80-R297 HydrophobicContact CD2-CG 4.46Å; F80-R297 HydrophobicContact CE1-CG 4.34Å; F80-R297 HydrophobicContact CE2-CG 3.94Å; F80-R297 HydrophobicContact CZ-CG 3.89Å; A293-R297 VanDerWaalsContact O-CD 3.29Å; A293-R297 WeakPolarHBondContact O-CD 3.31Å; A293-R297 WeakPolarHBondContact O-CG 3.37Å; A293-R297 PolarHBondContact O-N 3.31Å; A293-R297 PolarHBondContact O-NH1 3.5Å; V294-R297 CarbonylContact O-C 3.55Å; V294-R297 WeakPolarHBondContact O-CA 3.45Å; V294-R297 WeakPolarHBondContact O-CB 3.41Å; V294-R297 PolarHBondContact O-N 2.91Å; K295-R297 PolarHBondContact O-N 3.04Å; K295-R297 VanDerWaalsContact O-N 3.11Å; R297-L491 HydrophobicContact CB-CD2 4.14Å; R297-R549 VanDerWaalsContact C-NH1 3.32Å; R297-R549 HydrophobicContact CB-CB 4.25Å; R297-R549 HydrophobicContact CG-CB 4.1Å; R297-R549 VanDerWaalsContact O-CD 3.25Å; R297-R549 WeakPolarHBondContact O-CD 3.26Å; R297-R549 PolarHBondContact O-NH1 3.07Å; R297-F550 VanDerWaalsContact NE-C 3.27Å; R297-F550 PolarHBondContact NE-O 2.77Å; R297-F550 VanDerWaalsContact NE-O 3.09Å; R297-F550 PolarHBondContact NH2-O 2.89Å; R297-D554 IonicContact CZ-OD2 2.76Å; R297-D554 IonicContact NH1-OD2 3.09Å; R297-D554 PolarHBondContact NH1-OD2 3.44Å; R297-D554 VanDerWaalsContact NH2-CB 3.3Å; R297-D554 IonicContact NH2-OD2 3.34Å; R297-D554 PolarHBondContact NH2-OD2 3.28Å |
| 298 | V | 95.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -126.7 | -12.6 | -179.6 | -57 | 0 | 0 | 0 | 0 | 114.3 | V294 K295 R303 V322 H342 I343 L491 | V294-V298 PolarHBondContact O-N 3.01Å; K295-V298 PolarHBondContact O-N 2.83Å; V298-R303 PolarHBondContact O-NH2 2.82Å; V298-V322 HydrophobicContact CB-CG2 4.23Å; V298-V322 HydrophobicContact CG1-CG1 4.18Å; V298-V322 HydrophobicContact CG1-CG2 4.07Å; V298-H342 HydrophobicContact CG2-CB 3.7Å; V298-I343 HydrophobicContact CB-CD1 4.38Å; V298-I343 HydrophobicContact CB-CG1 3.94Å; V298-I343 HydrophobicContact CG1-CD1 4.24Å; V298-I343 HydrophobicContact CG1-CG1 4.3Å; V298-I343 HydrophobicContact CG2-CG1 3.98Å; V298-L491 HydrophobicContact CG1-CD1 4.03Å; V298-L491 HydrophobicContact CG1-CD2 4.35Å |
| 299 | L | 87.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.8 | -57.2 | -174.5 | -77.4 | -178 | 0 | 0 | 0 | 114.3 | K295 L301 R303 | K295-L299 HydrophobicContact CD-CD1 4.09Å; K295-L299 HydrophobicContact CG-CD1 3.43Å; K295-L299 VanDerWaalsContact CG-CD1 3.43Å; K295-L299 HydrophobicContact CG-CG 3.87Å; K295-L299 WeakPolarHBondContact O-CG 3.04Å; K295-L299 PolarHBondContact O-N 3.2Å; K295-L299 VanDerWaalsContact O-N 3.12Å; L299-L301 PolarHBondContact O-N 3.47Å; L299-R303 PolarHBondContact O-NH1 2.85Å |
| 300 | C | 82.9 | Confident | 77.6 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 33% | 0.331 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.8 | 36.3 | -167.7 | -52 | 0 | 0 | 0 | 0 | 114.1 | L56 | L56-C300 VanDerWaalsContact O-O 3.09Š|
| 301 | L | 86.6 | Confident | 75 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | trans | -88.1 | 145.1 | 179.5 | -59.3 | 179.5 | 0 | 0 | 0 | 111 | L299 R303 N321 V322 V489 | L299-L301 PolarHBondContact O-N 3.47Å; L301-R303 PolarHBondContact O-N 2.93Å; L301-N321 HydrophobicContact CD1-CB 4.24Å; L301-V322 HydrophobicContact CD1-CG2 3.4Å; L301-V489 HydrophobicContact CD1-CB 4.43Å; L301-V489 HydrophobicContact CD1-CG2 4.27Å; L301-V489 HydrophobicContact CD2-CG2 3.55Å | ||
| 302 | P | 82 | Confident | 72.4 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | trans | -72.7 | 98 | 175.3 | -7.2 | 27.4 | 0 | 0 | 0 | 107.4 | L56 | L56-P302 VanDerWaalsContact O-CD 3.26Å; L56-P302 WeakPolarHBondContact O-CD 3.06Å | ||
| 303 | R | 83.6 | Confident | 69.6 | Low | 71 Ų | 71 | 76.8 Ų | 76.8 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | trans | -88.3 | 112 | 167.9 | -63.7 | -179.6 | 179 | 80.8 | 5.2 | 105 | V298 L299 L301 E305 E347 | V298-R303 PolarHBondContact O-NH2 2.82Å; L299-R303 PolarHBondContact O-NH1 2.85Å; L301-R303 PolarHBondContact O-N 2.93Å; R303-E305 PolarHBondContact O-N 2.94Å; R303-E347 IonicContact CZ-OE2 3.72Å; R303-E347 IonicContact NE-OE2 2.6Å; R303-E347 PolarHBondContact NE-OE2 3.19Å; R303-E347 IonicContact NH2-OE2 2.97Å | ||
| 304 | G | 64.6 | Low | 67.1 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 81% | 0.814 | 47% | 0.471 | S | S | * | . | trans | -48.6 | 113.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 305 | E | 50 | Low | 64.5 | Low | 174 Ų | 174 | 90.7 Ų | 90.7 | 81% | 0.813 | 51% | 0.507 | S | S | * | . | trans | -74.8 | 140.5 | 169.7 | -68.7 | -175.8 | 159.4 | 0 | 0 | 108.5 | R303 | R303-E305 PolarHBondContact O-N 2.94Š| ||
| 306 | N | 40.5 | Very low | 62 | Low | 148 Ų | 148 | 92 Ų | 92 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | trans | 90.2 | 65.5 | 179.4 | -47.7 | -50 | 0 | 0 | 0 | 116.9 | ||||
| 307 | L | 43.9 | Very low | 60.3 | Low | 110 Ų | 110 | 94.6 Ų | 94.6 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | trans | -79.1 | 113.8 | 136.2 | -66.7 | 167.7 | 0 | 0 | 0 | 105.9 | E311 | L307-E311 HydrophobicContact CD2-CB 4.36Å; L307-E311 WeakPolarHBondContact CD2-OE2 3.02Å | ||
| 308 | T | 40.9 | Very low | 59.2 | Low | 95 Ų | 95 | 99.6 Ų | 99.6 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | trans | -59 | 153.2 | 172.9 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | N310 E311 | T308-N310 PolarHBondContact O-N 3.37Å; T308-E311 PolarHBondContact O-N 3.38Å | ||
| 309 | A | 46.7 | Very low | 58.9 | Low | 91 Ų | 91 | 106.8 Ų | 106.8 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -4.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V312 | A309-V312 WeakPolarHBondContact O-CG2 3.48Š|
| 310 | N | 40.7 | Very low | 59.2 | Low | 155 Ų | 155 | 103.4 Ų | 103.4 | 83% | 0.829 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -2.5 | 175.3 | -84 | -8.3 | 0 | 0 | 0 | 115.1 | T308 | T308-N310 PolarHBondContact O-N 3.37Š|
| 311 | E | 44.5 | Very low | 59.7 | Low | 115 Ų | 115 | 103.2 Ų | 103.2 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | trans | -106 | 18.6 | 178 | -67.9 | -176.6 | 148.9 | 0 | 0 | 113.7 | L307 T308 S313 | L307-E311 HydrophobicContact CD2-CB 4.36Å; L307-E311 WeakPolarHBondContact CD2-OE2 3.02Å; T308-E311 PolarHBondContact O-N 3.38Å; E311-S313 PolarHBondContact O-N 3.42Å; E311-S313 VanDerWaalsContact O-N 3.08Å | ||
| 312 | V | 43 | Very low | 60.3 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -7.4 | 176 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | A309 | A309-V312 WeakPolarHBondContact O-CG2 3.48Š|
| 313 | S | 39.8 | Very low | 61.1 | Low | 112 Ų | 112 | 99.7 Ų | 99.7 | 78% | 0.783 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.6 | -174.7 | -172.8 | 0 | 0 | 0 | 0 | 116 | E311 | E311-S313 PolarHBondContact O-N 3.42Å; E311-S313 VanDerWaalsContact O-N 3.08Å |
| 314 | K | 46.3 | Very low | 61.8 | Low | 141 Ų | 141 | 96.3 Ų | 96.3 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | trans | -135.1 | 82 | 176.2 | -71.8 | -171 | -176.8 | 176.5 | 0 | 112.7 | C316 D317 | K314-C316 PolarHBondContact O-N 3.29Å; K314-D317 HydrophobicContact CB-CB 4.49Å; K314-D317 WeakPolarHBondContact CD-OD2 3.36Å; K314-D317 IonicContact NZ-OD2 3.67Å; K314-D317 PolarHBondContact O-N 3.15Å | ||
| 315 | M | 44.6 | Very low | 63.4 | Low | 151 Ų | 151 | 93.4 Ų | 93.4 | 74% | 0.744 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -55.4 | -17.2 | 163.2 | -71.4 | -174.8 | 69.6 | 0 | 0 | 112.9 | ||
| 316 | C | 45.7 | Very low | 65.7 | Low | 123 Ų | 123 | 85.4 Ų | 85.4 | 83% | 0.831 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -80 | -9.1 | -176.1 | -126.5 | 0 | 0 | 0 | 0 | 116 | K314 | K314-C316 PolarHBondContact O-N 3.29Š|
| 317 | D | 58.7 | Low | 68.4 | Low | 105 Ų | 105 | 79.9 Ų | 79.9 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -109.4 | 10.4 | -172.3 | -78.6 | -24.4 | 0 | 0 | 0 | 114.2 | K314 K319 | K314-D317 HydrophobicContact CB-CB 4.49Å; K314-D317 WeakPolarHBondContact CD-OD2 3.36Å; K314-D317 IonicContact NZ-OD2 3.67Å; K314-D317 PolarHBondContact O-N 3.15Å; D317-K319 PolarHBondContact O-N 3.04Å |
| 318 | R | 75.3 | Confident | 70.9 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 40% | 0.404 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 128.7 | 177.8 | -76.1 | -172.2 | 166.2 | 160.3 | -16.4 | 111.7 | D346 P348 | R318-D346 VanDerWaalsContact CD-O 3.28Å; R318-D346 WeakPolarHBondContact CD-O 3.45Å; R318-D346 IonicContact CZ-OD2 3.37Å; R318-D346 IonicContact NE-OD2 3.62Å; R318-D346 IonicContact NH1-OD2 3.77Å; R318-D346 PolarHBondContact NH1-OD2 3.43Å; R318-D346 IonicContact NH2-OD2 3.45Å; R318-D346 PolarHBondContact NH2-OD2 2.78Å; R318-P348 WeakPolarHBondContact O-CG 3.24Å |
| 319 | K | 88.8 | Confident | 73.6 | Confident | 151 Ų | 151 | 71 Ų | 71 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 140.2 | -179.8 | -69 | -179.9 | -175.8 | 175.3 | 0 | 110.6 | D317 S486 | D317-K319 PolarHBondContact O-N 3.04Å; K319-S486 WeakPolarHBondContact CB-OG 3.25Å |
| 320 | A | 93.6 | Very high | 76.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -71 | 129.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P348 D350 S486 A487 | A320-P348 WeakPolarHBondContact CA-O 3.5Å; A320-P348 HydrophobicContact CB-CB 4.39Å; A320-P348 WeakPolarHBondContact CB-O 3.49Å; A320-D350 HydrophobicContact CB-CB 4.2Å; A320-D350 VanDerWaalsContact CB-CG 3.42Å; A320-D350 WeakPolarHBondContact CB-OD1 3.39Å; A320-S486 PolarHBondContact O-OG 3.3Å; A320-A487 WeakPolarHBondContact O-CA 3.47Å; A320-A487 PolarHBondContact O-N 3.07Å |
| 321 | N | 94.9 | Very high | 78.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -92.4 | -20.2 | 169.5 | -55.6 | -75.4 | 0 | 0 | 0 | 111.9 | L301 E347 V489 | L301-N321 HydrophobicContact CD1-CB 4.24Å; N321-E347 WeakPolarHBondContact CB-OE1 3.49Å; N321-E347 PolarHBondContact N-OE1 3.42Å; N321-E347 PolarHBondContact ND2-OE1 3.34Å; N321-V489 PolarHBondContact O-N 3.05Å |
| 322 | V | 97.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | V298 L301 I343 D350 L491 | V298-V322 HydrophobicContact CB-CG2 4.23Å; V298-V322 HydrophobicContact CG1-CG1 4.18Å; V298-V322 HydrophobicContact CG1-CG2 4.07Å; L301-V322 HydrophobicContact CD1-CG2 3.4Å; V322-I343 HydrophobicContact CB-CD1 3.77Å; V322-I343 HydrophobicContact CG1-CD1 4Å; V322-I343 HydrophobicContact CG2-CD1 3.91Å; V322-I343 HydrophobicContact CG2-CG1 4.5Å; V322-D350 PolarHBondContact O-N 2.81Å; V322-L491 HydrophobicContact CG1-CD1 4.05Å; V322-L491 HydrophobicContact CG1-CG 3.9Å |
| 323 | A | 98.6 | Very high | 84 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 161.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D350 L352 A487 V489 V490 L491 | A323-D350 CarbonylContact C-O 3.5Å; A323-D350 WeakPolarHBondContact CA-O 3.31Å; A323-D350 HydrophobicContact CB-CB 3.84Å; A323-L352 HydrophobicContact CB-CD1 3.76Å; A323-L352 HydrophobicContact CB-CD2 4.41Å; A323-L352 HydrophobicContact CB-CG 3.97Å; A323-A487 HydrophobicContact CB-CB 3.66Å; A323-V489 PolarHBondContact N-O 3.02Å; A323-V490 HydrophobicContact CB-CG2 4.39Å; A323-V490 CarbonylContact O-C 3.6Å; A323-V490 VanDerWaalsContact O-CA 3.32Å; A323-V490 WeakPolarHBondContact O-CA 3.44Å; A323-L491 PolarHBondContact O-N 3.48Å |
| 324 | I | 98.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.6 | 177.5 | -54.4 | 180 | 0 | 0 | 0 | 108.1 | F326 I335 A336 A339 I349 D350 L351 L352 L491 | I324-F326 HydrophobicContact CG2-CB 4.45Å; I324-F326 PolarHBondContact O-N 2.83Å; I324-F326 VanDerWaalsContact O-N 3.12Å; I324-I335 HydrophobicContact CD1-CG2 4.26Å; I324-I335 HydrophobicContact CG2-CG2 4.26Å; I324-A336 VanDerWaalsContact CD1-CA 3.41Å; I324-A336 HydrophobicContact CD1-CB 3.67Å; I324-A339 HydrophobicContact CD1-CB 4.26Å; I324-I349 HydrophobicContact CD1-CG2 3.86Å; I324-I349 HydrophobicContact CG1-CG2 4.1Å; I324-D350 PolarHBondContact N-O 3.02Å; I324-L351 HydrophobicContact CB-CD2 4.17Å; I324-L351 HydrophobicContact CD1-CD2 4.14Å; I324-L351 HydrophobicContact CG1-CD2 4.47Å; I324-L352 PolarHBondContact O-N 3.37Å; I324-L491 HydrophobicContact CG1-CB 4.24Å; I324-L491 HydrophobicContact CG1-CD1 4.38Å |
| 325 | L | 98.6 | Very high | 89.3 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 109.7 | 165.3 | -65 | -173.5 | 0 | 0 | 0 | 108.4 | L352 V464 A467 V490 L491 T492 I541 | L325-L352 HydrophobicContact CD2-CB 4.36Å; L325-L352 HydrophobicContact CD2-CD1 4.4Å; L325-V464 HydrophobicContact CD1-CG1 4.13Å; L325-A467 HydrophobicContact CD2-CB 3.78Å; L325-V490 HydrophobicContact CD1-CG1 4.4Å; L325-V490 HydrophobicContact CD2-CG1 3.78Å; L325-V490 HydrophobicContact CG-CG1 3.58Å; L325-L491 PolarHBondContact N-O 3.47Å; L325-T492 HydrophobicContact CD1-CG2 3.91Å; L325-T492 HydrophobicContact CG-CG2 4.33Å; L325-I541 HydrophobicContact CD1-CD1 4.27Å |
| 326 | F | 98.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | trans | -125.9 | 112.2 | -160.3 | -174.1 | -96.1 | 0 | 0 | 0 | 111.9 | I324 M333 A336 L351 L352 N353 G409 L416 F427 | I324-F326 HydrophobicContact CG2-CB 4.45Å; I324-F326 PolarHBondContact O-N 2.83Å; I324-F326 VanDerWaalsContact O-N 3.12Å; F326-M333 HydrophobicContact CE2-CG 4.35Å; F326-M333 HydrophobicContact CE2-SD 3.49Å; F326-M333 WeakPolarHBondContact CE2-SD 3.36Å; F326-M333 HydrophobicContact CZ-SD 3.37Å; F326-M333 WeakPolarHBondContact CZ-SD 3.46Å; F326-A336 HydrophobicContact CE2-CB 4.36Å; F326-L351 HydrophobicContact CB-CB 3.88Å; F326-L351 HydrophobicContact CB-CD2 4.31Å; F326-L351 HydrophobicContact CD1-CB 3.92Å; F326-L351 HydrophobicContact CD1-CD1 4.15Å; F326-L351 HydrophobicContact CD1-CG 4.47Å; F326-L351 HydrophobicContact CD2-CD1 4.39Å; F326-L351 HydrophobicContact CD2-CD2 3.84Å; F326-L351 HydrophobicContact CD2-CG 4.48Å; F326-L351 HydrophobicContact CE1-CD1 4.01Å; F326-L351 HydrophobicContact CE2-CD1 4.27Å; F326-L351 HydrophobicContact CE2-CD2 4.29Å; F326-L351 HydrophobicContact CG-CB 3.86Å; F326-L351 HydrophobicContact CG-CD1 4.32Å; F326-L351 HydrophobicContact CG-CD2 4.03Å; F326-L351 HydrophobicContact CG-CG 4.29Å; F326-L351 HydrophobicContact CZ-CD1 4.06Å; F326-L352 PolarHBondContact N-O 2.94Å; F326-N353 WeakPolarHBondContact O-CB 3.32Å; F326-N353 PolarHBondContact O-ND2 3.2Å; F326-G409 WeakPolarHBondContact CE1-O 3.35Å; F326-L416 HydrophobicContact CE2-CD1 3.74Å; F326-L416 HydrophobicContact CZ-CD1 3.78Å; F326-F427 HydrophobicContact CD1-CD2 4.1Å; F326-F427 AromaticContact CD1-CE2 3.77Å; F326-F427 HydrophobicContact CD1-CE2 3.77Å; F326-F427 HydrophobicContact CE1-CD2 4.23Å; F326-F427 AromaticContact CE1-CE2 3.95Å; F326-F427 HydrophobicContact CE1-CE2 3.95Å | ||
| 327 | S | 96.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 25.1 Ų | 25.1 | 23% | 0.231 | 13% | 0.127 | C | C | . | . | trans | -102.7 | -9.9 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | G329 S332 T408 G409 | S327-G329 PolarHBondContact O-N 3.38Å; S327-G329 PolarHBondContact OG-N 2.92Å; S327-G329 VanDerWaalsContact OG-N 3.11Å; S327-S332 PolarHBondContact N-OG 3.37Å; S327-T408 CarbonylContact O-C 3.52Å; S327-T408 PolarHBondContact O-OG1 2.92Å; S327-G409 PolarHBondContact O-N 3.03Å | ||
| 328 | G | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 74.6 | 2.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S332 | G328-S332 PolarHBondContact N-OG 2.8Š|
| 329 | G | 97.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 15 Ų | 15 | 20% | 0.196 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -71.1 | 157.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | S327 D331 S332 M333 | S327-G329 PolarHBondContact O-N 3.38Å; S327-G329 PolarHBondContact OG-N 2.92Å; S327-G329 VanDerWaalsContact OG-N 3.11Å; G329-D331 VanDerWaalsContact C-N 3.27Å; G329-D331 PolarHBondContact O-N 3Å; G329-D331 VanDerWaalsContact O-N 3.13Å; G329-S332 PolarHBondContact O-N 3.37Å; G329-S332 VanDerWaalsContact O-N 3.11Å; G329-S332 PolarHBondContact O-OG 3.42Å; G329-M333 WeakPolarHBondContact O-CG 3.43Å; G329-M333 PolarHBondContact O-N 2.85Å |
| 330 | I | 97.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 8.9 Ų | 8.9 | 4% | 0.036 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.3 | -37.3 | -169.5 | -164.9 | 166.8 | 0 | 0 | 0 | 114.7 | S332 M333 V334 K581 L584 R585 A588 A597 | I330-S332 PolarHBondContact O-N 3.44Å; I330-M333 PolarHBondContact O-N 2.84Å; I330-V334 HydrophobicContact CG1-CG2 4.18Å; I330-V334 WeakPolarHBondContact O-CG2 3.12Å; I330-V334 PolarHBondContact O-N 3.49Å; I330-K581 HydrophobicContact CG2-CD 4.24Å; I330-L584 HydrophobicContact CD1-CG 4.35Å; I330-L584 HydrophobicContact CG1-CG 4.25Å; I330-L584 HydrophobicContact CG2-CD2 4.01Å; I330-R585 VanDerWaalsContact CD1-CA 3.46Å; I330-R585 HydrophobicContact CD1-CB 4.02Å; I330-R585 HydrophobicContact CD1-CG 3.48Å; I330-R585 VanDerWaalsContact CD1-CG 3.48Å; I330-A588 HydrophobicContact CD1-CB 3.75Å; I330-A588 HydrophobicContact CG1-CB 3.96Å; I330-A597 HydrophobicContact CD1-CB 4.47Å |
| 331 | D | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 15 Ų | 15 | 13% | 0.128 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | -179.6 | -41.5 | -45 | 0 | 0 | 0 | 111 | G329 I335 A496 F552 K581 L584 | G329-D331 VanDerWaalsContact C-N 3.27Å; G329-D331 PolarHBondContact O-N 3Å; G329-D331 VanDerWaalsContact O-N 3.13Å; D331-I335 WeakPolarHBondContact O-CG1 3.15Å; D331-I335 PolarHBondContact O-N 2.8Å; D331-I335 VanDerWaalsContact O-N 3.1Å; D331-A496 HydrophobicContact CB-CB 4.21Å; D331-F552 HydrophobicContact CB-CE2 4.23Å; D331-K581 IonicContact OD1-NZ 3.96Å; D331-K581 PolarHBondContact OD1-NZ 2.7Å; D331-K581 IonicContact OD2-NZ 2.67Å; D331-K581 PolarHBondContact OD2-NZ 3.39Å; D331-L584 WeakPolarHBondContact OD1-CD2 3.25Å |
| 332 | S | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.1 | -31.1 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | S327 G328 G329 I330 A336 | S327-S332 PolarHBondContact N-OG 3.37Å; G328-S332 PolarHBondContact N-OG 2.8Å; G329-S332 PolarHBondContact O-N 3.37Å; G329-S332 VanDerWaalsContact O-N 3.11Å; G329-S332 PolarHBondContact O-OG 3.42Å; I330-S332 PolarHBondContact O-N 3.44Å; S332-A336 VanDerWaalsContact O-CB 3.27Å; S332-A336 WeakPolarHBondContact O-CB 3.35Å; S332-A336 PolarHBondContact O-N 3.04Å |
| 333 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.8 | -44.3 | 177.5 | -70.8 | -67.3 | -59.2 | 0 | 0 | 112 | F326 G329 I330 A336 T337 G412 E415 L416 L593 | F326-M333 HydrophobicContact CE2-CG 4.35Å; F326-M333 HydrophobicContact CE2-SD 3.49Å; F326-M333 WeakPolarHBondContact CE2-SD 3.36Å; F326-M333 HydrophobicContact CZ-SD 3.37Å; F326-M333 WeakPolarHBondContact CZ-SD 3.46Å; G329-M333 WeakPolarHBondContact O-CG 3.43Å; G329-M333 PolarHBondContact O-N 2.85Å; I330-M333 PolarHBondContact O-N 2.84Å; M333-A336 PolarHBondContact O-N 3.12Å; M333-T337 WeakPolarHBondContact O-CB 3.29Å; M333-T337 PolarHBondContact O-N 2.86Å; M333-T337 PolarHBondContact O-OG1 3.18Å; M333-G412 WeakPolarHBondContact CE-O 3.4Å; M333-G412 VanDerWaalsContact SD-CA 3.54Å; M333-E415 HydrophobicContact CE-CB 4.1Å; M333-E415 HydrophobicContact CE-CG 4.09Å; M333-E415 WeakPolarHBondContact CE-OE2 3.46Å; M333-L416 HydrophobicContact CE-CD2 3.94Å; M333-L416 HydrophobicContact CE-CG 3.75Å; M333-L416 HydrophobicContact SD-CD1 4.3Å; M333-L416 HydrophobicContact SD-CG 4.17Å; M333-L593 HydrophobicContact CB-CD1 3.91Å; M333-L593 HydrophobicContact CE-CD2 3.69Å |
| 334 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | L290 I330 A336 T337 L338 L584 A588 L591 L593 | L290-V334 HydrophobicContact CD2-CG1 3.8Å; I330-V334 HydrophobicContact CG1-CG2 4.18Å; I330-V334 WeakPolarHBondContact O-CG2 3.12Å; I330-V334 PolarHBondContact O-N 3.49Å; V334-A336 PolarHBondContact O-N 2.84Å; V334-T337 PolarHBondContact O-N 2.99Å; V334-L338 HydrophobicContact CG1-CD1 3.95Å; V334-L338 HydrophobicContact CG1-CG 4.42Å; V334-L338 WeakPolarHBondContact O-CB 3.42Å; V334-L338 WeakPolarHBondContact O-CG 3.27Å; V334-L338 PolarHBondContact O-N 3.22Å; V334-L584 HydrophobicContact CB-CD1 3.97Å; V334-L584 HydrophobicContact CG1-CD1 3.84Å; V334-L584 HydrophobicContact CG2-CD1 3.76Å; V334-L584 HydrophobicContact CG2-CG 4.38Å; V334-A588 HydrophobicContact CG2-CB 3.75Å; V334-L591 HydrophobicContact CB-CD1 4.46Å; V334-L591 HydrophobicContact CG1-CD1 3.8Å; V334-L591 HydrophobicContact CG2-CD1 4.29Å; V334-L593 HydrophobicContact CG2-CD1 4.05Å |
| 335 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.6 | -72.5 | 175.2 | 0 | 0 | 0 | 111.2 | I324 D331 L338 A339 L491 T492 P551 F552 | I324-I335 HydrophobicContact CD1-CG2 4.26Å; I324-I335 HydrophobicContact CG2-CG2 4.26Å; D331-I335 WeakPolarHBondContact O-CG1 3.15Å; D331-I335 PolarHBondContact O-N 2.8Å; D331-I335 VanDerWaalsContact O-N 3.1Å; I335-L338 PolarHBondContact O-N 2.95Å; I335-A339 VanDerWaalsContact O-CB 3.24Å; I335-A339 WeakPolarHBondContact O-CB 3.34Å; I335-A339 PolarHBondContact O-N 3.49Å; I335-L491 HydrophobicContact CG2-CB 3.78Å; I335-L491 HydrophobicContact CG2-CD1 3.72Å; I335-L491 HydrophobicContact CG2-CG 4.41Å; I335-T492 WeakPolarHBondContact CD1-O 3.32Å; I335-P551 HydrophobicContact CD1-CG 4.14Å; I335-P551 HydrophobicContact CG1-CG 4.37Å; I335-F552 HydrophobicContact CD1-CD2 3.94Å; I335-F552 HydrophobicContact CD1-CE2 3.62Å; I335-F552 HydrophobicContact CG1-CD2 4.49Å; I335-F552 HydrophobicContact CG1-CE2 3.84Å |
| 336 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I324 F326 S332 M333 V334 L338 A339 D340 L351 L416 W425 | I324-A336 VanDerWaalsContact CD1-CA 3.41Å; I324-A336 HydrophobicContact CD1-CB 3.67Å; F326-A336 HydrophobicContact CE2-CB 4.36Å; S332-A336 VanDerWaalsContact O-CB 3.27Å; S332-A336 WeakPolarHBondContact O-CB 3.35Å; S332-A336 PolarHBondContact O-N 3.04Å; M333-A336 PolarHBondContact O-N 3.12Å; V334-A336 PolarHBondContact O-N 2.84Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.45Å; A336-A339 PolarHBondContact O-N 3.03Å; A336-D340 PolarHBondContact O-N 2.83Å; A336-L351 HydrophobicContact CB-CD2 4.39Å; A336-L416 HydrophobicContact CB-CD1 3.81Å; A336-L416 HydrophobicContact CB-CD2 3.95Å; A336-W425 HydrophobicContact CB-CH2 4.1Å; A336-W425 HydrophobicContact CB-CZ3 4.02Å; A336-W425 WeakPolarHBondContact O-CH2 3.27Å |
| 337 | T | 98.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 112 | M333 V334 V419 L591 | M333-T337 WeakPolarHBondContact O-CB 3.29Å; M333-T337 PolarHBondContact O-N 2.86Å; M333-T337 PolarHBondContact O-OG1 3.18Å; V334-T337 PolarHBondContact O-N 2.99Å; T337-V419 HydrophobicContact CG2-CG1 4.24Å; T337-L591 HydrophobicContact CG2-CB 4.14Å |
| 338 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.8 | -34.7 | 176.4 | -68.6 | 177.6 | 0 | 0 | 0 | 112.7 | I287 L290 V294 V334 I335 A336 D340 R341 H342 L591 | I287-L338 HydrophobicContact CG2-CD2 4.45Å; L290-L338 HydrophobicContact CB-CD1 4.1Å; L290-L338 HydrophobicContact CD2-CD1 3.76Å; L290-L338 HydrophobicContact CG-CD1 3.63Å; V294-L338 HydrophobicContact CB-CB 4.27Å; V294-L338 HydrophobicContact CG1-CB 4.26Å; V294-L338 HydrophobicContact CG2-CB 4.05Å; V294-L338 HydrophobicContact CG2-CD1 4.39Å; V334-L338 HydrophobicContact CG1-CD1 3.95Å; V334-L338 HydrophobicContact CG1-CG 4.42Å; V334-L338 WeakPolarHBondContact O-CB 3.42Å; V334-L338 WeakPolarHBondContact O-CG 3.27Å; V334-L338 PolarHBondContact O-N 3.22Å; I335-L338 PolarHBondContact O-N 2.95Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.45Å; L338-D340 VanDerWaalsContact C-N 3.32Å; L338-D340 PolarHBondContact O-N 3.04Å; L338-R341 WeakPolarHBondContact O-CB 3.17Å; L338-R341 PolarHBondContact O-N 2.69Å; L338-H342 PolarHBondContact O-CD2 2.97Å; L338-L591 HydrophobicContact CD2-CD1 4.21Å; L338-L591 HydrophobicContact CD2-CD2 3.89Å; L338-L591 HydrophobicContact CG-CD1 4.23Å |
| 339 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V294 I324 I335 A336 R341 H342 I343 L491 | V294-A339 HydrophobicContact CG1-CB 4Å; I324-A339 HydrophobicContact CD1-CB 4.26Å; I335-A339 VanDerWaalsContact O-CB 3.24Å; I335-A339 WeakPolarHBondContact O-CB 3.34Å; I335-A339 PolarHBondContact O-N 3.49Å; A336-A339 PolarHBondContact O-N 3.03Å; A339-R341 PolarHBondContact O-N 2.95Å; A339-H342 PolarHBondContact O-N 3.39Å; A339-H342 VanDerWaalsContact O-N 3.08Å; A339-I343 HydrophobicContact CB-CD1 4.07Å; A339-I343 WeakPolarHBondContact O-CG1 3.25Å; A339-I343 PolarHBondContact O-N 2.86Å; A339-L491 HydrophobicContact CB-CD1 3.98Å |
| 340 | D | 98 | Very high | 96.9 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.1 | -36.6 | 174.2 | 178 | 47.7 | 0 | 0 | 0 | 113.3 | A336 L338 H342 I349 S420 R423 W425 | A336-D340 PolarHBondContact O-N 2.83Å; L338-D340 VanDerWaalsContact C-N 3.32Å; L338-D340 PolarHBondContact O-N 3.04Å; D340-H342 PolarHBondContact O-N 2.88Å; D340-I349 HydrophobicContact CB-CD1 4.42Å; D340-S420 VanDerWaalsContact CG-OG 3.28Å; D340-S420 PolarHBondContact OD1-OG 2.78Å; D340-S420 WeakPolarHBondContact OD2-CB 3.15Å; D340-S420 PolarHBondContact OD2-OG 2.89Å; D340-R423 PolarHBondContact O-NH2 2.75Å; D340-R423 IonicContact OD1-CZ 3.77Å; D340-R423 IonicContact OD1-NE 2.56Å; D340-R423 PolarHBondContact OD1-NE 3.45Å; D340-R423 IonicContact OD1-NH2 3.08Å; D340-R423 PolarHBondContact OD1-NH2 3Å; D340-W425 HydrophobicContact CB-CH2 3.91Å; D340-W425 HydrophobicContact CB-CZ2 3.99Å |
| 341 | R | 96.8 | Very high | 96.9 | Very high | 128 Ų | 128 | 22.5 Ų | 22.5 | 48% | 0.483 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.4 | 179.6 | -63.4 | 179.7 | 176.2 | -171.7 | -9.6 | 113.9 | L338 A339 L591 | L338-R341 WeakPolarHBondContact O-CB 3.17Å; L338-R341 PolarHBondContact O-N 2.69Å; A339-R341 PolarHBondContact O-N 2.95Å; R341-L591 VanDerWaalsContact CZ-CD2 3.43Å |
| 342 | H | 97.4 | Very high | 97 | Very high | 38 Ų | 38 | 21.5 Ų | 21.5 | 18% | 0.176 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -17.9 | -169.1 | -58.1 | -62.9 | 0 | 0 | 0 | 113.6 | S291 K295 V298 L338 A339 D340 | S291-H342 PolarHBondContact O-NE2 2.8Å; S291-H342 VanDerWaalsContact O-NE2 3.16Å; S291-H342 PolarHBondContact OG-CE1 3.31Å; S291-H342 PolarHBondContact OG-NE2 3.16Å; K295-H342 HydrophobicContact CB-CB 4.32Å; K295-H342 HydrophobicContact CG-CB 4.34Å; V298-H342 HydrophobicContact CG2-CB 3.7Å; L338-H342 PolarHBondContact O-CD2 2.97Å; A339-H342 PolarHBondContact O-N 3.39Å; A339-H342 VanDerWaalsContact O-N 3.08Å; D340-H342 PolarHBondContact O-N 2.88Å |
| 343 | I | 96.3 | Very high | 97 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -84 | 134.2 | 175.1 | -67.8 | 172 | 0 | 0 | 0 | 108.8 | V298 V322 A339 L345 E347 I349 R423 | V298-I343 HydrophobicContact CB-CD1 4.38Å; V298-I343 HydrophobicContact CB-CG1 3.94Å; V298-I343 HydrophobicContact CG1-CD1 4.24Å; V298-I343 HydrophobicContact CG1-CG1 4.3Å; V298-I343 HydrophobicContact CG2-CG1 3.98Å; V322-I343 HydrophobicContact CB-CD1 3.77Å; V322-I343 HydrophobicContact CG1-CD1 4Å; V322-I343 HydrophobicContact CG2-CD1 3.91Å; V322-I343 HydrophobicContact CG2-CG1 4.5Å; A339-I343 HydrophobicContact CB-CD1 4.07Å; A339-I343 WeakPolarHBondContact O-CG1 3.25Å; A339-I343 PolarHBondContact O-N 2.86Å; I343-L345 PolarHBondContact O-N 2.79Å; I343-E347 HydrophobicContact CG2-CB 3.86Å; I343-E347 HydrophobicContact CG2-CG 4.11Å; I343-I349 HydrophobicContact CB-CD1 4.44Å; I343-I349 HydrophobicContact CD1-CD1 3.76Å; I343-I349 HydrophobicContact CD1-CG1 3.76Å; I343-I349 HydrophobicContact CG2-CG1 4.34Å; I343-R423 PolarHBondContact O-NH2 3.26Å |
| 344 | P | 93.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 21.7 Ų | 21.7 | 32% | 0.318 | 11% | 0.108 | S | C | . | . | trans | -48.7 | 131.1 | 176.7 | -28.8 | 36.3 | 0 | 0 | 0 | 111.9 | D346 E347 R423 | P344-D346 WeakPolarHBondContact CB-OD1 3.39Å; P344-D346 PolarHBondContact O-N 3.05Å; P344-E347 HydrophobicContact CB-CB 4.42Å; P344-E347 WeakPolarHBondContact O-CB 3.15Å; P344-E347 PolarHBondContact O-N 2.9Å; P344-R423 PolarHBondContact O-NH1 3.13Å | ||
| 345 | L | 91.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 21.7 Ų | 21.7 | 59% | 0.586 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.5 | -169.8 | -74 | 171.7 | 0 | 0 | 0 | 114.5 | I343 R423 | I343-L345 PolarHBondContact O-N 2.79Å; L345-R423 PolarHBondContact O-NH1 3.19Å |
| 346 | D | 89.7 | Confident | 96.6 | Very high | 67 Ų | 67 | 21.9 Ų | 21.9 | 36% | 0.358 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.3 | -177 | 63.4 | -29.5 | 0 | 0 | 0 | 114.3 | R318 P344 | R318-D346 VanDerWaalsContact CD-O 3.28Å; R318-D346 WeakPolarHBondContact CD-O 3.45Å; R318-D346 IonicContact CZ-OD2 3.37Å; R318-D346 IonicContact NE-OD2 3.62Å; R318-D346 IonicContact NH1-OD2 3.77Å; R318-D346 PolarHBondContact NH1-OD2 3.43Å; R318-D346 IonicContact NH2-OD2 3.45Å; R318-D346 PolarHBondContact NH2-OD2 2.78Å; P344-D346 WeakPolarHBondContact CB-OD1 3.39Å; P344-D346 PolarHBondContact O-N 3.05Å |
| 347 | E | 93.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -93.8 | 123.3 | 175 | -173.2 | -175.7 | 157.5 | 0 | 0 | 110.5 | R303 N321 I343 P344 R423 | R303-E347 IonicContact CZ-OE2 3.72Å; R303-E347 IonicContact NE-OE2 2.6Å; R303-E347 PolarHBondContact NE-OE2 3.19Å; R303-E347 IonicContact NH2-OE2 2.97Å; N321-E347 WeakPolarHBondContact CB-OE1 3.49Å; N321-E347 PolarHBondContact N-OE1 3.42Å; N321-E347 PolarHBondContact ND2-OE1 3.34Å; I343-E347 HydrophobicContact CG2-CB 3.86Å; I343-E347 HydrophobicContact CG2-CG 4.11Å; P344-E347 HydrophobicContact CB-CB 4.42Å; P344-E347 WeakPolarHBondContact O-CB 3.15Å; P344-E347 PolarHBondContact O-N 2.9Å; E347-R423 PolarHBondContact O-NH1 3.49Å |
| 348 | P | 96 | Very high | 95 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | trans | -65 | 154.1 | 174.9 | -23.3 | 35.3 | 0 | 0 | 0 | 113.2 | R318 A320 I424 N426 | R318-P348 WeakPolarHBondContact O-CG 3.24Å; A320-P348 WeakPolarHBondContact CA-O 3.5Å; A320-P348 HydrophobicContact CB-CB 4.39Å; A320-P348 WeakPolarHBondContact CB-O 3.49Å; P348-I424 WeakPolarHBondContact CA-O 3.26Å; P348-I424 HydrophobicContact CB-CB 4.01Å; P348-I424 HydrophobicContact CB-CG2 3.86Å; P348-I424 HydrophobicContact CG-CB 4.09Å; P348-I424 HydrophobicContact CG-CD1 4.27Å; P348-I424 HydrophobicContact CG-CG2 3.98Å; P348-N426 VanDerWaalsContact CB-ND2 3.34Å; P348-N426 WeakPolarHBondContact CB-ND2 3.36Å | ||
| 349 | I | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.3 | 169.6 | -60.3 | 170 | 0 | 0 | 0 | 109 | I324 D340 I343 L351 R423 I424 W425 N426 | I324-I349 HydrophobicContact CD1-CG2 3.86Å; I324-I349 HydrophobicContact CG1-CG2 4.1Å; D340-I349 HydrophobicContact CB-CD1 4.42Å; I343-I349 HydrophobicContact CB-CD1 4.44Å; I343-I349 HydrophobicContact CD1-CD1 3.76Å; I343-I349 HydrophobicContact CD1-CG1 3.76Å; I343-I349 HydrophobicContact CG2-CG1 4.34Å; I349-L351 HydrophobicContact CG2-CD2 4.28Å; I349-R423 HydrophobicContact CD1-CG 4.4Å; I349-I424 PolarHBondContact N-O 2.96Å; I349-W425 HydrophobicContact CB-CE3 3.87Å; I349-W425 HydrophobicContact CB-CZ3 3.76Å; I349-W425 HydrophobicContact CD1-CE3 4.43Å; I349-W425 HydrophobicContact CD1-CH2 3.83Å; I349-W425 HydrophobicContact CD1-CZ3 3.66Å; I349-W425 HydrophobicContact CG1-CZ3 4.29Å; I349-W425 HydrophobicContact CG2-CE3 4.13Å; I349-W425 HydrophobicContact CG2-CZ3 3.76Å; I349-N426 PolarHBondContact O-N 3.38Å |
| 350 | D | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.7 | 177.3 | -74.2 | -6.2 | 0 | 0 | 0 | 110.9 | A320 V322 A323 I324 L352 N426 V428 Y483 S485 | A320-D350 HydrophobicContact CB-CB 4.2Å; A320-D350 VanDerWaalsContact CB-CG 3.42Å; A320-D350 WeakPolarHBondContact CB-OD1 3.39Å; V322-D350 PolarHBondContact O-N 2.81Å; A323-D350 CarbonylContact C-O 3.5Å; A323-D350 WeakPolarHBondContact CA-O 3.31Å; A323-D350 HydrophobicContact CB-CB 3.84Å; I324-D350 PolarHBondContact N-O 3.02Å; D350-L352 HydrophobicContact CB-CD2 4.19Å; D350-N426 WeakPolarHBondContact OD1-CB 3.21Å; D350-N426 PolarHBondContact OD1-ND2 2.93Å; D350-V428 HydrophobicContact CB-CG2 4.49Å; D350-Y483 PolarHBondContact OD1-OH 2.76Å; D350-Y483 WeakPolarHBondContact OD2-CE1 3.47Å; D350-Y483 PolarHBondContact OD2-OH 3.09Å; D350-S485 WeakPolarHBondContact OD2-CA 3.22Å; D350-S485 WeakPolarHBondContact OD2-CB 3.35Å; D350-S485 PolarHBondContact OD2-OG 3.4Å |
| 351 | L | 98.8 | Very high | 88 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 104.8 | 174.3 | -55.7 | 179.8 | 0 | 0 | 0 | 108.6 | I324 F326 A336 I349 L413 L416 W425 N426 F427 V428 | I324-L351 HydrophobicContact CB-CD2 4.17Å; I324-L351 HydrophobicContact CD1-CD2 4.14Å; I324-L351 HydrophobicContact CG1-CD2 4.47Å; F326-L351 HydrophobicContact CB-CB 3.88Å; F326-L351 HydrophobicContact CB-CD2 4.31Å; F326-L351 HydrophobicContact CD1-CB 3.92Å; F326-L351 HydrophobicContact CD1-CD1 4.15Å; F326-L351 HydrophobicContact CD1-CG 4.47Å; F326-L351 HydrophobicContact CD2-CD1 4.39Å; F326-L351 HydrophobicContact CD2-CD2 3.84Å; F326-L351 HydrophobicContact CD2-CG 4.48Å; F326-L351 HydrophobicContact CE1-CD1 4.01Å; F326-L351 HydrophobicContact CE2-CD1 4.27Å; F326-L351 HydrophobicContact CE2-CD2 4.29Å; F326-L351 HydrophobicContact CG-CB 3.86Å; F326-L351 HydrophobicContact CG-CD1 4.32Å; F326-L351 HydrophobicContact CG-CD2 4.03Å; F326-L351 HydrophobicContact CG-CG 4.29Å; F326-L351 HydrophobicContact CZ-CD1 4.06Å; A336-L351 HydrophobicContact CB-CD2 4.39Å; I349-L351 HydrophobicContact CG2-CD2 4.28Å; L351-L413 HydrophobicContact CD1-CD1 4.03Å; L351-L416 HydrophobicContact CD1-CD1 3.76Å; L351-W425 HydrophobicContact CD1-CB 4.34Å; L351-W425 HydrophobicContact CD1-CD2 4.49Å; L351-W425 HydrophobicContact CD1-CE3 3.95Å; L351-W425 HydrophobicContact CD2-CE3 3.92Å; L351-W425 HydrophobicContact CD2-CZ3 4.05Å; L351-W425 HydrophobicContact CG-CE3 4.04Å; L351-N426 PolarHBondContact N-O 2.77Å; L351-F427 HydrophobicContact CB-CD2 4Å; L351-F427 HydrophobicContact CD1-CD2 4.42Å; L351-V428 PolarHBondContact O-N 3.12Å |
| 352 | L | 98.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.4 | -173.9 | -51.7 | -177.9 | 0 | 0 | 0 | 110.1 | A323 I324 L325 F326 D350 V428 I430 A467 | A323-L352 HydrophobicContact CB-CD1 3.76Å; A323-L352 HydrophobicContact CB-CD2 4.41Å; A323-L352 HydrophobicContact CB-CG 3.97Å; I324-L352 PolarHBondContact O-N 3.37Å; L325-L352 HydrophobicContact CD2-CB 4.36Å; L325-L352 HydrophobicContact CD2-CD1 4.4Å; F326-L352 PolarHBondContact N-O 2.94Å; D350-L352 HydrophobicContact CB-CD2 4.19Å; L352-V428 HydrophobicContact CD2-CB 3.94Å; L352-V428 HydrophobicContact CD2-CG1 4.47Å; L352-V428 HydrophobicContact CD2-CG2 3.85Å; L352-I430 HydrophobicContact CB-CD1 4.19Å; L352-A467 WeakPolarHBondContact CD1-O 3.44Å |
| 353 | N | 98.1 | Very high | 81.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.7 | -177.6 | -176.3 | -85.5 | 0 | 0 | 0 | 111.3 | F326 D405 R406 F427 V428 I430 | F326-N353 WeakPolarHBondContact O-CB 3.32Å; F326-N353 PolarHBondContact O-ND2 3.2Å; N353-D405 PolarHBondContact ND2-O 2.59Å; N353-R406 PolarHBondContact O-NH1 3.32Å; N353-R406 PolarHBondContact O-NH2 2.97Å; N353-R406 WeakPolarHBondContact OD1-CA 3.4Å; N353-R406 PolarHBondContact OD1-NH1 3.43Å; N353-F427 HydrophobicContact CB-CD2 4.48Å; N353-F427 HydrophobicContact CB-CE2 3.59Å; N353-F427 HydrophobicContact CB-CZ 3.65Å; N353-V428 PolarHBondContact N-O 3.01Å; N353-V428 VanDerWaalsContact N-O 3.13Å; N353-I430 PolarHBondContact O-N 3.18Å |
| 354 | V | 97.4 | Very high | 78.3 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.3 | -175.6 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | F356 I430 V432 A463 F466 A467 | V354-F356 HydrophobicContact CG1-CE2 4.43Å; V354-F356 HydrophobicContact CG2-CD2 4.4Å; V354-F356 HydrophobicContact CG2-CE2 3.79Å; V354-F356 HydrophobicContact CG2-CZ 4.18Å; V354-I430 CarbonylContact C-O 3.6Å; V354-I430 WeakPolarHBondContact CA-O 3.33Å; V354-I430 HydrophobicContact CB-CB 4.43Å; V354-I430 HydrophobicContact CG2-CB 4.48Å; V354-I430 HydrophobicContact CG2-CG2 4.14Å; V354-V432 HydrophobicContact CG2-CG2 3.97Å; V354-A463 HydrophobicContact CG1-CB 4.49Å; V354-F466 HydrophobicContact CG2-CB 3.9Å; V354-A467 HydrophobicContact CB-CB 3.95Å; V354-A467 HydrophobicContact CG1-CB 3.93Å |
| 355 | A | 96.4 | Very high | 75.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V401 V403 I430 N431 V432 | A355-V401 HydrophobicContact CB-CG1 3.92Å; A355-V403 HydrophobicContact CB-CB 4.45Å; A355-V403 HydrophobicContact CB-CG1 4.22Å; A355-V403 HydrophobicContact CB-CG2 3.39Å; A355-I430 PolarHBondContact N-O 3.45Å; A355-N431 WeakPolarHBondContact O-CA 3.38Å; A355-V432 PolarHBondContact O-N 3.33Å |
| 356 | F | 94.3 | Very high | 72.3 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115 | 175.9 | -70.2 | -91.6 | 0 | 0 | 0 | 109.1 | V354 V432 L437 A463 F466 S608 I610 M613 | V354-F356 HydrophobicContact CG1-CE2 4.43Å; V354-F356 HydrophobicContact CG2-CD2 4.4Å; V354-F356 HydrophobicContact CG2-CE2 3.79Å; V354-F356 HydrophobicContact CG2-CZ 4.18Å; F356-V432 WeakPolarHBondContact CA-O 3.43Å; F356-V432 HydrophobicContact CD1-CB 3.8Å; F356-V432 HydrophobicContact CD1-CG1 3.88Å; F356-V432 HydrophobicContact CE1-CB 3.85Å; F356-V432 HydrophobicContact CE1-CG1 3.71Å; F356-V432 HydrophobicContact CE1-CG2 4.2Å; F356-V432 HydrophobicContact CG-CB 4.46Å; F356-V432 HydrophobicContact CZ-CG2 4.47Å; F356-L437 HydrophobicContact CD1-CD2 4.19Å; F356-L437 HydrophobicContact CE1-CB 4.44Å; F356-L437 HydrophobicContact CE1-CD1 4.05Å; F356-L437 HydrophobicContact CE1-CD2 4.2Å; F356-L437 HydrophobicContact CE1-CG 4.44Å; F356-A463 HydrophobicContact CE2-CB 4.01Å; F356-A463 HydrophobicContact CZ-CB 4.4Å; F356-F466 AromaticContact CE1-CD2 3.96Å; F356-F466 HydrophobicContact CE1-CD2 3.96Å; F356-F466 HydrophobicContact CE1-CE2 4.31Å; F356-F466 HydrophobicContact CZ-CB 4.47Å; F356-F466 AromaticContact CZ-CD2 3.95Å; F356-F466 HydrophobicContact CZ-CD2 3.95Å; F356-F466 HydrophobicContact CZ-CG 4.5Å; F356-S608 WeakPolarHBondContact CB-O 3.09Å; F356-S608 WeakPolarHBondContact CD2-OG 3.45Å; F356-S608 PolarHBondContact N-O 3.48Å; F356-I610 HydrophobicContact CB-CB 4.44Å; F356-I610 HydrophobicContact CD1-CB 4.2Å; F356-I610 HydrophobicContact CD1-CD1 4.33Å; F356-I610 HydrophobicContact CD1-CG1 4.22Å; F356-I610 HydrophobicContact CD2-CB 3.6Å; F356-I610 HydrophobicContact CD2-CG1 4.43Å; F356-I610 HydrophobicContact CD2-CG2 4.46Å; F356-I610 HydrophobicContact CE1-CB 4.39Å; F356-I610 HydrophobicContact CE1-CD1 3.82Å; F356-I610 HydrophobicContact CE1-CG1 4.21Å; F356-I610 HydrophobicContact CE2-CB 3.81Å; F356-I610 HydrophobicContact CE2-CD1 4.15Å; F356-I610 HydrophobicContact CE2-CG1 4.41Å; F356-I610 HydrophobicContact CE2-CG2 4.42Å; F356-I610 HydrophobicContact CG-CB 3.81Å; F356-I610 HydrophobicContact CG-CG1 4.33Å; F356-I610 HydrophobicContact CZ-CB 4.21Å; F356-I610 HydrophobicContact CZ-CD1 3.71Å; F356-I610 HydrophobicContact CZ-CG1 4.3Å; F356-M613 HydrophobicContact CB-CE 4.28Å; F356-M613 HydrophobicContact CB-SD 3.65Å; F356-M613 HydrophobicContact CD1-CE 3.81Å; F356-M613 HydrophobicContact CD1-SD 4.23Å; F356-M613 HydrophobicContact CG-CE 4.48Å; F356-M613 HydrophobicContact CG-SD 4.43Å |
| 357 | I | 88.3 | Confident | 69.3 | Low | 48 Ų | 48 | 72.2 Ų | 72.2 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.7 | -170.8 | -52.6 | 175.3 | 0 | 0 | 0 | 108.6 | V401 N431 V432 | I357-V401 HydrophobicContact CD1-CB 4.34Å; I357-V401 HydrophobicContact CD1-CG1 3.79Å; I357-V401 HydrophobicContact CD1-CG2 3.65Å; I357-V401 HydrophobicContact CG1-CG1 4.07Å; I357-N431 HydrophobicContact CD1-CB 3.62Å; I357-V432 PolarHBondContact N-O 3.32Å |
| 358 | A | 75.9 | Confident | 66.2 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 126.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 359 | E | 60.9 | Low | 62.9 | Low | 128 Ų | 128 | 89 Ų | 89 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 133.7 | 169.4 | -68.8 | 176.8 | -171.3 | 0 | 0 | 109.5 | ||
| 360 | E | 49.8 | Very low | 59.5 | Low | 185 Ų | 185 | 98 Ų | 98 | 86% | 0.864 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 133.3 | 166.8 | -78.1 | -172.7 | 168.7 | 0 | 0 | 109.4 | T362 | E360-T362 PolarHBondContact O-N 2.78Š|
| 361 | K | 37.4 | Very low | 56.1 | Low | 189 Ų | 189 | 110 Ų | 110 | 82% | 0.822 | 56% | 0.556 | S | S | * | * | trans | -59.8 | 110.2 | 162.3 | -70 | 179.9 | 178.4 | -178.4 | 0 | 107.1 | M363 | K361-M363 VanDerWaalsContact C-N 3.3Å; K361-M363 PolarHBondContact O-N 3.29Å | ||
| 362 | T | 27.8 | Very low | 52.6 | Low | 139 Ų | 139 | 117.6 Ų | 117.6 | 85% | 0.853 | 60% | 0.596 | S | S | * | * | trans | -56.6 | 99.2 | 160.3 | 42.3 | 0 | 0 | 0 | 0 | 107.5 | E360 | E360-T362 PolarHBondContact O-N 2.78Š| ||
| 363 | M | 28.8 | Very low | 49.2 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 126.8 | 169.1 | -72.9 | -70.1 | -81.9 | 0 | 0 | 107 | K361 T365 | K361-M363 VanDerWaalsContact C-N 3.3Å; K361-M363 PolarHBondContact O-N 3.29Å; M363-T365 PolarHBondContact O-N 3.01Å | ||
| 364 | P | 31.2 | Very low | 45.8 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -62.1 | 129.9 | 171 | -13.4 | 26.8 | 0 | 0 | 0 | 108.3 | S366 | P364-S366 PolarHBondContact O-N 3.43Š| ||
| 365 | T | 31.1 | Very low | 42.3 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 87% | 0.871 | 71% | 0.707 | S | S | * | * | trans | -53.6 | 105.4 | 167.1 | 40.9 | 0 | 0 | 0 | 0 | 109.7 | M363 | M363-T365 PolarHBondContact O-N 3.01Š| ||
| 366 | S | 27.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -115.9 | 106.8 | 168.3 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | P364 | P364-S366 PolarHBondContact O-N 3.43Š| ||
| 367 | F | 26.9 | Very low | 35.5 | Very low | 207 Ų | 207 | 159.1 Ų | 159.1 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 5.2 | 131.6 | 153.2 | -69.5 | -89.7 | 0 | 0 | 0 | 119.7 | ||||
| 368 | N | 28 | Very low | 32.3 | Very low | 160 Ų | 160 | 162 Ų | 162 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -34.3 | 135.3 | 163.3 | -74.2 | -23.1 | 0 | 0 | 0 | 115.2 | ||||
| 369 | K | 27.7 | Very low | 29.8 | Very low | 209 Ų | 209 | 166.7 Ų | 166.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 114.5 | 134.1 | -110.1 | 170.8 | -172.9 | 176.4 | 0 | 110.4 | ||||
| 370 | E | 27.2 | Very low | 28 | Very low | 188 Ų | 188 | 168.4 Ų | 168.4 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -58.9 | 146.7 | 167.3 | -63.7 | 179.5 | 143.3 | 0 | 0 | 111.6 | ||||
| 371 | R | 25.8 | Very low | 26.7 | Very low | 253 Ų | 253 | 165 Ų | 165 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -164.3 | 121.8 | 137.8 | -107.1 | 168 | -171.5 | -163.6 | 1.9 | 111.9 | ||||
| 372 | N | 25.5 | Very low | 26.1 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -65.1 | 141.9 | 171 | -83 | -37.2 | 0 | 0 | 0 | 113.2 | ||||
| 373 | K | 27.5 | Very low | 26.1 | Very low | 189 Ų | 189 | 163 Ų | 163 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | 167.7 | 125.7 | 112.8 | -94.9 | 179.9 | 177.8 | 178.6 | 0 | 114.8 | |||||
| 374 | Q | 26.3 | Very low | 25.9 | Very low | 163 Ų | 163 | 163 Ų | 163 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | 58.1 | 115.2 | 134.5 | -82.2 | 169.4 | -20 | 0 | 0 | 124 | ||||
| 375 | K | 24.8 | Very low | 25.6 | Very low | 186 Ų | 186 | 168 Ų | 168 | 81% | 0.809 | 83% | 0.833 | S | S | * | * | 50.5 | 119 | 128 | -79.9 | -176.7 | 173.7 | 178.4 | 0 | 120.6 | |||||
| 376 | N | 23.8 | Very low | 25.6 | Very low | 149 Ų | 149 | 166.6 Ų | 166.6 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | -176.4 | 132.4 | 104.8 | -92.6 | -22 | 0 | 0 | 0 | 113.1 | |||||
| 377 | K | 24.7 | Very low | 25.6 | Very low | 202 Ų | 202 | 169.8 Ų | 169.8 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | 32.5 | 144.2 | 143.9 | -87.2 | -179.2 | 175.1 | -176.5 | 0 | 120.3 | ||||
| 378 | C | 21 | Very low | 25.5 | Very low | 109 Ų | 109 | 168 Ų | 168 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | cis | -170.9 | 169 | 10.7 | -152.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 379 | E | 21.8 | Very low | 25.5 | Very low | 169 Ų | 169 | 167.2 Ų | 167.2 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 104.6 | 91.8 | 155.4 | -67.4 | 176.5 | -170.2 | 0 | 0 | 121.3 | ||||
| 380 | I | 23.6 | Very low | 25.5 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 53.4 | 99.8 | 133.7 | -47.7 | 170 | 0 | 0 | 0 | 117.7 | ||||
| 381 | S | 22.8 | Very low | 25.6 | Very low | 112 Ų | 112 | 158.3 Ų | 158.3 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -118.7 | 138.7 | 164.2 | 59 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 382 | S | 25.5 | Very low | 25.7 | Very low | 121 Ų | 121 | 151 Ų | 151 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -64.1 | 119.1 | 176.3 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 383 | E | 27.2 | Very low | 26 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 77% | 0.771 | 82% | 0.819 | S | S | * | * | trans | -60.7 | 153.1 | 152.7 | -70.5 | 168.6 | -179.1 | 0 | 0 | 109.5 | ||||
| 384 | E | 24.9 | Very low | 26.2 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | cis | -170.2 | 143.6 | 1.7 | -110 | 170.8 | 179.1 | 0 | 0 | 105.5 | ||||
| 385 | F | 25.4 | Very low | 26.6 | Very low | 213 Ų | 213 | 149.8 Ų | 149.8 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | trans | -135.1 | 116.8 | 151.3 | -103.2 | -79.3 | 0 | 0 | 0 | 106.7 | ||||
| 386 | S | 29.3 | Very low | 27 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 137.9 | -171.8 | 39.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 387 | K | 27.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | -77.9 | 147.1 | 156.4 | -72.3 | 176.3 | 171.9 | -177.4 | 0 | 108.4 | ||||
| 388 | D | 25 | Very low | 28.6 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -142.5 | 136.6 | 139.2 | -94.4 | -35.4 | 0 | 0 | 0 | 109.5 | ||||
| 389 | D | 28.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -87.1 | 156.8 | -164.2 | -74.4 | -49.6 | 0 | 0 | 0 | 113.6 | ||||
| 390 | A | 27 | Very low | 31.2 | Very low | 104 Ų | 104 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -150.3 | 112.2 | 139 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 391 | A | 31 | Very low | 33.1 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | trans | -79.1 | 135.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 392 | A | 28.1 | Very low | 35.9 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -151.8 | 132.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 393 | D | 31.7 | Very low | 39 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | trans | -45.9 | 130.5 | 166.2 | -92.3 | -33.7 | 0 | 0 | 0 | 111 | ||||
| 394 | D | 30.3 | Very low | 42.2 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | -172.2 | 132.8 | 127.6 | -144.5 | -0.6 | 0 | 0 | 0 | 110.5 | S396 | D394-S396 PolarHBondContact O-N 2.97Š| |||
| 395 | D | 34.4 | Very low | 45.6 | Very low | 167 Ų | 167 | 113 Ų | 113 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | trans | -82.7 | 97.1 | -177.8 | -157.6 | 13.9 | 0 | 0 | 0 | 108.5 | ||||
| 396 | S | 35 | Very low | 49 | Very low | 71 Ų | 71 | 103 Ų | 103 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -133 | 148.6 | 177 | 70 | 0 | 0 | 0 | 0 | 113.1 | D394 D398 | D394-S396 PolarHBondContact O-N 2.97Å; S396-D398 PolarHBondContact O-N 3.11Å | ||
| 397 | P | 37.9 | Very low | 52.1 | Low | 118 Ų | 118 | 101.9 Ų | 101.9 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -71.5 | -0.3 | -171.6 | -12.5 | 28.4 | 0 | 0 | 0 | 114.9 | K399 | P397-K399 PolarHBondContact O-N 3.35Š|
| 398 | D | 43.8 | Very low | 55.4 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -87.5 | 0 | -164 | -159 | 14.4 | 0 | 0 | 0 | 114.4 | S396 H400 R410 | S396-D398 PolarHBondContact O-N 3.11Å; D398-H400 PolarHBondContact O-N 3.43Å; D398-R410 IonicContact OD1-CZ 3.26Å; D398-R410 IonicContact OD1-NH1 2.82Å; D398-R410 PolarHBondContact OD1-NH1 3.26Å; D398-R410 IonicContact OD1-NH2 2.93Å; D398-R410 IonicContact OD2-NH1 3.19Å |
| 399 | K | 44 | Very low | 58.9 | Low | 184 Ų | 184 | 86.6 Ų | 86.6 | 80% | 0.8 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -72.8 | -10.8 | 174.8 | -90.1 | -179.6 | -179.9 | 167.7 | 0 | 114.3 | P397 V401 | P397-K399 PolarHBondContact O-N 3.35Å; K399-V401 PolarHBondContact O-N 2.97Å |
| 400 | H | 52.6 | Low | 62.2 | Low | 154 Ų | 154 | 82.9 Ų | 82.9 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -80.1 | -8.1 | -164.3 | -78.9 | -78.2 | 0 | 0 | 0 | 116.6 | D398 | D398-H400 PolarHBondContact O-N 3.43Š|
| 401 | V | 63.8 | Low | 65.5 | Low | 26 Ų | 26 | 80.5 Ų | 80.5 | 16% | 0.158 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -135.9 | 56.9 | 178.5 | -162.5 | 0 | 0 | 0 | 0 | 112.9 | A355 I357 K399 V403 R406 | A355-V401 HydrophobicContact CB-CG1 3.92Å; I357-V401 HydrophobicContact CD1-CB 4.34Å; I357-V401 HydrophobicContact CD1-CG1 3.79Å; I357-V401 HydrophobicContact CD1-CG2 3.65Å; I357-V401 HydrophobicContact CG1-CG1 4.07Å; K399-V401 PolarHBondContact O-N 2.97Å; V401-V403 PolarHBondContact O-N 2.96Å; V401-R406 WeakPolarHBondContact O-CG 3.32Å |
| 402 | S | 80.6 | Confident | 68.7 | Low | 67 Ų | 67 | 75.6 Ų | 75.6 | 47% | 0.469 | 43% | 0.427 | S | S | . | . | trans | -94.1 | 61.4 | -179.4 | -164.3 | 0 | 0 | 0 | 0 | 112.7 | I407 R609 | S402-I407 WeakPolarHBondContact OG-CD1 3.06Å; S402-R609 PolarHBondContact O-NH2 3.4Å; S402-R609 VanDerWaalsContact O-NH2 3.11Å | ||
| 403 | V | 92.2 | Very high | 72 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | trans | -86.6 | 149 | 170.2 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | A355 V401 D405 R406 I407 R609 | A355-V403 HydrophobicContact CB-CB 4.45Å; A355-V403 HydrophobicContact CB-CG1 4.22Å; A355-V403 HydrophobicContact CB-CG2 3.39Å; V401-V403 PolarHBondContact O-N 2.96Å; V403-D405 VanDerWaalsContact C-N 3.34Å; V403-D405 PolarHBondContact O-N 3.21Å; V403-R406 HydrophobicContact CG2-CB 3.58Å; V403-R406 WeakPolarHBondContact O-CB 3.42Å; V403-R406 PolarHBondContact O-N 3.41Å; V403-I407 WeakPolarHBondContact O-CG1 3.25Å; V403-I407 PolarHBondContact O-N 2.94Å; V403-I407 VanDerWaalsContact O-N 3.09Å; V403-R609 HydrophobicContact CB-CG 4Å; V403-R609 HydrophobicContact CG1-CB 4.27Å; V403-R609 HydrophobicContact CG1-CG 3.96Å | ||
| 404 | P | 94.6 | Very high | 75.2 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.7 | -40.3 | -171.5 | -22.5 | 28.5 | 0 | 0 | 0 | 115.2 | I407 T408 R602 G607 | P404-I407 PolarHBondContact O-N 3.26Å; P404-T408 PolarHBondContact O-N 2.67Å; P404-T408 VanDerWaalsContact O-N 3.09Å; P404-T408 PolarHBondContact O-OG1 3.47Å; P404-R602 VanDerWaalsContact CB-CZ 3.44Å; P404-G607 VanDerWaalsContact CD-O 3.27Å; P404-G607 WeakPolarHBondContact CD-O 3.44Å |
| 405 | D | 95.8 | Very high | 78.4 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.9 | -23.9 | 178.6 | -75.5 | 2.6 | 0 | 0 | 0 | 113.2 | N353 V403 T408 G409 G607 | N353-D405 PolarHBondContact ND2-O 2.59Å; V403-D405 VanDerWaalsContact C-N 3.34Å; V403-D405 PolarHBondContact O-N 3.21Å; D405-T408 WeakPolarHBondContact CA-OG1 3.41Å; D405-T408 PolarHBondContact O-OG1 2.9Å; D405-G409 WeakPolarHBondContact O-CA 3.31Å; D405-G409 PolarHBondContact O-N 2.98Å; D405-G607 PolarHBondContact N-O 3.35Å; D405-G607 WeakPolarHBondContact OD1-CA 3.35Å; D405-G607 WeakPolarHBondContact OD2-CA 3.44Å |
| 406 | R | 95.7 | Very high | 81.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 171.4 | 177 | 69 | 69.4 | -147.8 | -8.2 | 110.1 | N353 V401 V403 G409 R410 E429 I430 N431 | N353-R406 PolarHBondContact O-NH1 3.32Å; N353-R406 PolarHBondContact O-NH2 2.97Å; N353-R406 WeakPolarHBondContact OD1-CA 3.4Å; N353-R406 PolarHBondContact OD1-NH1 3.43Å; V401-R406 WeakPolarHBondContact O-CG 3.32Å; V403-R406 HydrophobicContact CG2-CB 3.58Å; V403-R406 WeakPolarHBondContact O-CB 3.42Å; V403-R406 PolarHBondContact O-N 3.41Å; R406-G409 PolarHBondContact O-N 3.38Å; R406-R410 WeakPolarHBondContact O-CB 3.39Å; R406-R410 WeakPolarHBondContact O-CG 3.25Å; R406-R410 PolarHBondContact O-N 2.66Å; R406-E429 WeakPolarHBondContact CD-OE1 3.37Å; R406-E429 VanDerWaalsContact CZ-CB 3.45Å; R406-E429 IonicContact NE-OE2 3.43Å; R406-E429 VanDerWaalsContact NH1-CB 3.31Å; R406-E429 VanDerWaalsContact NH1-CG 3.26Å; R406-I430 PolarHBondContact NH2-O 3.18Å; R406-N431 PolarHBondContact NH2-OD1 3.3Å |
| 407 | I | 96.2 | Very high | 84.4 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -52.3 | 177.9 | -60.5 | 166.2 | 0 | 0 | 0 | 110.1 | S402 V403 P404 G409 R410 A411 | S402-I407 WeakPolarHBondContact OG-CD1 3.06Å; V403-I407 WeakPolarHBondContact O-CG1 3.25Å; V403-I407 PolarHBondContact O-N 2.94Å; V403-I407 VanDerWaalsContact O-N 3.09Å; P404-I407 PolarHBondContact O-N 3.26Å; I407-G409 VanDerWaalsContact C-N 3.31Å; I407-G409 PolarHBondContact O-N 2.79Å; I407-R410 PolarHBondContact O-N 2.58Å; I407-A411 PolarHBondContact O-N 3.45Å |
| 408 | T | 96.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 14% | 0.135 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | S327 P404 D405 A411 G412 L599 | S327-T408 CarbonylContact O-C 3.52Å; S327-T408 PolarHBondContact O-OG1 2.92Å; P404-T408 PolarHBondContact O-N 2.67Å; P404-T408 VanDerWaalsContact O-N 3.09Å; P404-T408 PolarHBondContact O-OG1 3.47Å; D405-T408 WeakPolarHBondContact CA-OG1 3.41Å; D405-T408 PolarHBondContact O-OG1 2.9Å; T408-A411 PolarHBondContact O-N 2.97Å; T408-G412 PolarHBondContact O-N 2.66Å; T408-L599 HydrophobicContact CG2-CD1 4.03Å; T408-L599 HydrophobicContact CG2-CD2 4.45Å |
| 409 | G | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F326 S327 D405 R406 I407 A411 G412 L413 | F326-G409 WeakPolarHBondContact CE1-O 3.35Å; S327-G409 PolarHBondContact O-N 3.03Å; D405-G409 WeakPolarHBondContact O-CA 3.31Å; D405-G409 PolarHBondContact O-N 2.98Å; R406-G409 PolarHBondContact O-N 3.38Å; I407-G409 VanDerWaalsContact C-N 3.31Å; I407-G409 PolarHBondContact O-N 2.79Å; G409-A411 VanDerWaalsContact C-N 3.33Å; G409-A411 PolarHBondContact O-N 3.18Å; G409-G412 PolarHBondContact O-N 3.49Å; G409-L413 PolarHBondContact O-N 3.22Å |
| 410 | R | 97.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 25% | 0.249 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.8 | -72.5 | 179 | -179.9 | -178.8 | 2.2 | 111.7 | D398 R406 I407 L413 K414 F427 E429 | D398-R410 IonicContact OD1-CZ 3.26Å; D398-R410 IonicContact OD1-NH1 2.82Å; D398-R410 PolarHBondContact OD1-NH1 3.26Å; D398-R410 IonicContact OD1-NH2 2.93Å; D398-R410 IonicContact OD2-NH1 3.19Å; R406-R410 WeakPolarHBondContact O-CB 3.39Å; R406-R410 WeakPolarHBondContact O-CG 3.25Å; R406-R410 PolarHBondContact O-N 2.66Å; I407-R410 PolarHBondContact O-N 2.58Å; R410-L413 PolarHBondContact O-N 2.87Å; R410-K414 WeakPolarHBondContact O-CG 3.4Å; R410-K414 PolarHBondContact O-N 3.37Å; R410-F427 HydrophobicContact CG-CD1 4.49Å; R410-F427 HydrophobicContact CG-CE1 3.69Å; R410-F427 HydrophobicContact CG-CZ 4.2Å; R410-E429 IonicContact CZ-OE1 3.24Å; R410-E429 IonicContact CZ-OE2 2.95Å; R410-E429 IonicContact NE-OE1 3.02Å; R410-E429 PolarHBondContact NE-OE1 3.17Å; R410-E429 IonicContact NE-OE2 2.68Å; R410-E429 IonicContact NH2-OE1 3.81Å; R410-E429 PolarHBondContact NH2-OE1 3.1Å; R410-E429 VanDerWaalsContact NH2-OE1 3.09Å; R410-E429 IonicContact NH2-OE2 2.8Å; R410-E429 PolarHBondContact NH2-OE2 3.47Å |
| 411 | A | 97.2 | Very high | 94.2 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 45% | 0.446 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I407 T408 G409 L413 K414 E415 | I407-A411 PolarHBondContact O-N 3.45Å; T408-A411 PolarHBondContact O-N 2.97Å; G409-A411 VanDerWaalsContact C-N 3.33Å; G409-A411 PolarHBondContact O-N 3.18Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.48Å; A411-K414 WeakPolarHBondContact O-CB 3.4Å; A411-K414 PolarHBondContact O-N 3.27Å; A411-K414 VanDerWaalsContact O-N 3.15Å; A411-E415 PolarHBondContact O-N 3.22Å; A411-E415 VanDerWaalsContact O-N 3.08Å |
| 412 | G | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M333 T408 G409 K414 E415 L416 | M333-G412 WeakPolarHBondContact CE-O 3.4Å; M333-G412 VanDerWaalsContact SD-CA 3.54Å; T408-G412 PolarHBondContact O-N 2.66Å; G409-G412 PolarHBondContact O-N 3.49Å; G412-K414 VanDerWaalsContact C-N 3.34Å; G412-K414 PolarHBondContact O-N 3.14Å; G412-E415 PolarHBondContact O-N 2.92Å; G412-L416 WeakPolarHBondContact O-CG 3.45Å; G412-L416 PolarHBondContact O-N 3.34Å |
| 413 | L | 98 | Very high | 96.4 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.9 | 176.1 | 66.6 | 0 | 0 | 0 | 112.1 | L351 G409 R410 A411 E415 L416 K417 W425 F427 | L351-L413 HydrophobicContact CD1-CD1 4.03Å; G409-L413 PolarHBondContact O-N 3.22Å; R410-L413 PolarHBondContact O-N 2.87Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.48Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 2.89Å; L413-L416 PolarHBondContact O-N 2.74Å; L413-K417 HydrophobicContact CD1-CD 4.46Å; L413-K417 HydrophobicContact CD1-CG 4.44Å; L413-K417 HydrophobicContact CG-CD 4.35Å; L413-K417 WeakPolarHBondContact O-CB 3.31Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.36Å; L413-W425 HydrophobicContact CD1-CB 3.49Å; L413-W425 VanDerWaalsContact CD1-CB 3.49Å; L413-W425 HydrophobicContact CD1-CG 4.24Å; L413-F427 HydrophobicContact CD1-CB 4.12Å; L413-F427 HydrophobicContact CD2-CB 3.54Å; L413-F427 HydrophobicContact CD2-CD1 4.33Å; L413-F427 HydrophobicContact CD2-CG 3.96Å; L413-F427 HydrophobicContact CG-CB 4.31Å |
| 414 | K | 97.6 | Very high | 96.6 | Very high | 160 Ų | 160 | 47.9 Ų | 47.9 | 70% | 0.696 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 177 | -68 | 178.6 | -177.6 | -176.3 | 0 | 110.9 | R410 A411 G412 K417 A418 | R410-K414 WeakPolarHBondContact O-CG 3.4Å; R410-K414 PolarHBondContact O-N 3.37Å; A411-K414 WeakPolarHBondContact O-CB 3.4Å; A411-K414 PolarHBondContact O-N 3.27Å; A411-K414 VanDerWaalsContact O-N 3.15Å; G412-K414 VanDerWaalsContact C-N 3.34Å; G412-K414 PolarHBondContact O-N 3.14Å; K414-K417 PolarHBondContact O-N 3.33Å; K414-A418 PolarHBondContact O-N 2.93Å; K414-A418 VanDerWaalsContact O-N 3.09Å |
| 415 | E | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.7 | -177.9 | 164.8 | -123.3 | 0 | 0 | 112.3 | M333 A411 G412 L413 K417 A418 V419 L593 T594 A595 S596 | M333-E415 HydrophobicContact CE-CB 4.1Å; M333-E415 HydrophobicContact CE-CG 4.09Å; M333-E415 WeakPolarHBondContact CE-OE2 3.46Å; A411-E415 PolarHBondContact O-N 3.22Å; A411-E415 VanDerWaalsContact O-N 3.08Å; G412-E415 PolarHBondContact O-N 2.92Å; L413-E415 VanDerWaalsContact C-N 3.29Å; L413-E415 PolarHBondContact O-N 2.89Å; E415-K417 VanDerWaalsContact C-N 3.32Å; E415-K417 PolarHBondContact O-N 3.42Å; E415-A418 WeakPolarHBondContact O-CB 3.26Å; E415-A418 PolarHBondContact O-N 3.37Å; E415-V419 WeakPolarHBondContact O-CG2 3.31Å; E415-V419 PolarHBondContact O-N 3.19Å; E415-L593 HydrophobicContact CG-CD2 3.92Å; E415-T594 VanDerWaalsContact OE1-CA 3.28Å; E415-T594 WeakPolarHBondContact OE1-CA 3.43Å; E415-T594 WeakPolarHBondContact OE1-CB 3.47Å; E415-T594 PolarHBondContact OE1-N 3.36Å; E415-T594 PolarHBondContact OE1-OG1 3.14Å; E415-A595 PolarHBondContact OE1-N 3.39Å; E415-S596 WeakPolarHBondContact OE2-CB 3.27Å; E415-S596 PolarHBondContact OE2-N 2.83Å; E415-S596 PolarHBondContact OE2-OG 3.07Å |
| 416 | L | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 175.3 | -72.7 | 174.6 | 0 | 0 | 0 | 112.4 | F326 M333 A336 L351 G412 L413 A418 V419 S420 W425 | F326-L416 HydrophobicContact CE2-CD1 3.74Å; F326-L416 HydrophobicContact CZ-CD1 3.78Å; M333-L416 HydrophobicContact CE-CD2 3.94Å; M333-L416 HydrophobicContact CE-CG 3.75Å; M333-L416 HydrophobicContact SD-CD1 4.3Å; M333-L416 HydrophobicContact SD-CG 4.17Å; A336-L416 HydrophobicContact CB-CD1 3.81Å; A336-L416 HydrophobicContact CB-CD2 3.95Å; L351-L416 HydrophobicContact CD1-CD1 3.76Å; G412-L416 WeakPolarHBondContact O-CG 3.45Å; G412-L416 PolarHBondContact O-N 3.34Å; L413-L416 PolarHBondContact O-N 2.74Å; L416-A418 VanDerWaalsContact C-N 3.29Å; L416-A418 PolarHBondContact O-N 2.74Å; L416-V419 PolarHBondContact O-N 3.36Å; L416-S420 PolarHBondContact O-N 3.34Å; L416-W425 HydrophobicContact CB-CD2 4.29Å; L416-W425 HydrophobicContact CB-CZ2 4.17Å; L416-W425 HydrophobicContact CD1-CD2 4.3Å; L416-W425 HydrophobicContact CD1-CE3 4.18Å; L416-W425 HydrophobicContact CD1-CH2 4.35Å; L416-W425 HydrophobicContact CD1-CZ2 4.46Å; L416-W425 HydrophobicContact CD1-CZ3 4.21Å; L416-W425 HydrophobicContact CD2-CH2 4.35Å; L416-W425 HydrophobicContact CD2-CZ2 4.22Å |
| 417 | K | 97.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 48.5 Ų | 48.5 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.8 | -31 | 174.3 | -75.1 | 178.7 | 175.2 | -176.2 | 0 | 112.7 | L413 K414 E415 S420 P421 | L413-K417 HydrophobicContact CD1-CD 4.46Å; L413-K417 HydrophobicContact CD1-CG 4.44Å; L413-K417 HydrophobicContact CG-CD 4.35Å; L413-K417 WeakPolarHBondContact O-CB 3.31Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.36Å; K414-K417 PolarHBondContact O-N 3.33Å; E415-K417 VanDerWaalsContact C-N 3.32Å; E415-K417 PolarHBondContact O-N 3.42Å; K417-S420 CarbonylContact O-C 3.56Å; K417-P421 VanDerWaalsContact O-CA 3.26Å; K417-P421 WeakPolarHBondContact O-CA 3.49Å |
| 418 | A | 97.4 | Very high | 97 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 66% | 0.661 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -73.5 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | K414 E415 L416 | K414-A418 PolarHBondContact O-N 2.93Å; K414-A418 VanDerWaalsContact O-N 3.09Å; E415-A418 WeakPolarHBondContact O-CB 3.26Å; E415-A418 PolarHBondContact O-N 3.37Å; L416-A418 VanDerWaalsContact C-N 3.29Å; L416-A418 PolarHBondContact O-N 2.74Å |
| 419 | V | 95.6 | Very high | 97 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 34% | 0.339 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.3 | -38.3 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | T337 E415 L416 L593 | T337-V419 HydrophobicContact CG2-CG1 4.24Å; E415-V419 WeakPolarHBondContact O-CG2 3.31Å; E415-V419 PolarHBondContact O-N 3.19Å; L416-V419 PolarHBondContact O-N 3.36Å; V419-L593 HydrophobicContact CG2-CD2 4.28Å |
| 420 | S | 96 | Very high | 97 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | trans | -133.9 | 83.3 | -179 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | D340 L416 K417 S422 R423 | D340-S420 VanDerWaalsContact CG-OG 3.28Å; D340-S420 PolarHBondContact OD1-OG 2.78Å; D340-S420 WeakPolarHBondContact OD2-CB 3.15Å; D340-S420 PolarHBondContact OD2-OG 2.89Å; L416-S420 PolarHBondContact O-N 3.34Å; K417-S420 CarbonylContact O-C 3.56Å; S420-S422 VanDerWaalsContact C-N 3.31Å; S420-S422 PolarHBondContact O-N 3.11Å; S420-R423 PolarHBondContact O-N 3.34Å | ||
| 421 | P | 95.4 | Very high | 96.9 | Very high | 111 Ų | 111 | 42.5 Ų | 42.5 | 72% | 0.721 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22.7 | -174.3 | 27.3 | -34.9 | 0 | 0 | 0 | 113.6 | K417 | K417-P421 VanDerWaalsContact O-CA 3.26Å; K417-P421 WeakPolarHBondContact O-CA 3.49Å |
| 422 | S | 93.9 | Very high | 96.9 | Very high | 78 Ų | 78 | 40 Ų | 40 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17.8 | 178.3 | 52 | 0 | 0 | 0 | 0 | 113.6 | S420 | S420-S422 VanDerWaalsContact C-N 3.31Å; S420-S422 PolarHBondContact O-N 3.11Å |
| 423 | R | 96.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 4% | 0.038 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.1 | 134.4 | -177.3 | 177 | 59.9 | 61.7 | -174 | -0.3 | 111.5 | D340 I343 P344 L345 E347 I349 S420 W425 | D340-R423 PolarHBondContact O-NH2 2.75Å; D340-R423 IonicContact OD1-CZ 3.77Å; D340-R423 IonicContact OD1-NE 2.56Å; D340-R423 PolarHBondContact OD1-NE 3.45Å; D340-R423 IonicContact OD1-NH2 3.08Å; D340-R423 PolarHBondContact OD1-NH2 3Å; I343-R423 PolarHBondContact O-NH2 3.26Å; P344-R423 PolarHBondContact O-NH1 3.13Å; L345-R423 PolarHBondContact O-NH1 3.19Å; E347-R423 PolarHBondContact O-NH1 3.49Å; I349-R423 HydrophobicContact CD1-CG 4.4Å; S420-R423 PolarHBondContact O-N 3.34Å; R423-W425 HydrophobicContact CB-CZ2 4.16Å; R423-W425 HydrophobicContact CG-CD2 3.66Å; R423-W425 HydrophobicContact CG-CE3 4.23Å; R423-W425 HydrophobicContact CG-CG 4.04Å; R423-W425 HydrophobicContact CG-CH2 4.2Å; R423-W425 HydrophobicContact CG-CZ2 3.63Å; R423-W425 HydrophobicContact CG-CZ3 4.47Å; R423-W425 PolarHBondContact O-N 3.36Å |
| 424 | I | 95.8 | Very high | 96.4 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -81.2 | 106.6 | 166.8 | -55.1 | 171.6 | 0 | 0 | 0 | 108.8 | P348 I349 | P348-I424 WeakPolarHBondContact CA-O 3.26Å; P348-I424 HydrophobicContact CB-CB 4.01Å; P348-I424 HydrophobicContact CB-CG2 3.86Å; P348-I424 HydrophobicContact CG-CB 4.09Å; P348-I424 HydrophobicContact CG-CD1 4.27Å; P348-I424 HydrophobicContact CG-CG2 3.98Å; I349-I424 PolarHBondContact N-O 2.96Å | ||
| 425 | W | 97 | Very high | 96.2 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.3 | 173.9 | -61.7 | 103.5 | 0 | 0 | 0 | 110.5 | A336 D340 I349 L351 L413 L416 R423 F427 | A336-W425 HydrophobicContact CB-CH2 4.1Å; A336-W425 HydrophobicContact CB-CZ3 4.02Å; A336-W425 WeakPolarHBondContact O-CH2 3.27Å; D340-W425 HydrophobicContact CB-CH2 3.91Å; D340-W425 HydrophobicContact CB-CZ2 3.99Å; I349-W425 HydrophobicContact CB-CE3 3.87Å; I349-W425 HydrophobicContact CB-CZ3 3.76Å; I349-W425 HydrophobicContact CD1-CE3 4.43Å; I349-W425 HydrophobicContact CD1-CH2 3.83Å; I349-W425 HydrophobicContact CD1-CZ3 3.66Å; I349-W425 HydrophobicContact CG1-CZ3 4.29Å; I349-W425 HydrophobicContact CG2-CE3 4.13Å; I349-W425 HydrophobicContact CG2-CZ3 3.76Å; L351-W425 HydrophobicContact CD1-CB 4.34Å; L351-W425 HydrophobicContact CD1-CD2 4.49Å; L351-W425 HydrophobicContact CD1-CE3 3.95Å; L351-W425 HydrophobicContact CD2-CE3 3.92Å; L351-W425 HydrophobicContact CD2-CZ3 4.05Å; L351-W425 HydrophobicContact CG-CE3 4.04Å; L413-W425 HydrophobicContact CD1-CB 3.49Å; L413-W425 VanDerWaalsContact CD1-CB 3.49Å; L413-W425 HydrophobicContact CD1-CG 4.24Å; L416-W425 HydrophobicContact CB-CD2 4.29Å; L416-W425 HydrophobicContact CB-CZ2 4.17Å; L416-W425 HydrophobicContact CD1-CD2 4.3Å; L416-W425 HydrophobicContact CD1-CE3 4.18Å; L416-W425 HydrophobicContact CD1-CH2 4.35Å; L416-W425 HydrophobicContact CD1-CZ2 4.46Å; L416-W425 HydrophobicContact CD1-CZ3 4.21Å; L416-W425 HydrophobicContact CD2-CH2 4.35Å; L416-W425 HydrophobicContact CD2-CZ2 4.22Å; R423-W425 HydrophobicContact CB-CZ2 4.16Å; R423-W425 HydrophobicContact CG-CD2 3.66Å; R423-W425 HydrophobicContact CG-CE3 4.23Å; R423-W425 HydrophobicContact CG-CG 4.04Å; R423-W425 HydrophobicContact CG-CH2 4.2Å; R423-W425 HydrophobicContact CG-CZ2 3.63Å; R423-W425 HydrophobicContact CG-CZ3 4.47Å; R423-W425 PolarHBondContact O-N 3.36Å; W425-F427 PolarHBondContact O-N 3.05Å |
| 426 | N | 97.2 | Very high | 96.1 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 92.1 | 176.4 | -70.6 | -22.8 | 0 | 0 | 0 | 109.5 | P348 I349 D350 L351 V428 L474 Y483 | P348-N426 VanDerWaalsContact CB-ND2 3.34Å; P348-N426 WeakPolarHBondContact CB-ND2 3.36Å; I349-N426 PolarHBondContact O-N 3.38Å; D350-N426 WeakPolarHBondContact OD1-CB 3.21Å; D350-N426 PolarHBondContact OD1-ND2 2.93Å; L351-N426 PolarHBondContact N-O 2.77Å; N426-V428 PolarHBondContact O-N 3.1Å; N426-V428 VanDerWaalsContact O-N 3.16Å; N426-L474 HydrophobicContact CB-CD2 4.03Å; N426-Y483 PolarHBondContact ND2-OH 3.28Å |
| 427 | F | 97.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 99.2 | 175.6 | -173.6 | -108.8 | 0 | 0 | 0 | 110.8 | F326 L351 N353 R410 L413 W425 E429 L474 | F326-F427 HydrophobicContact CD1-CD2 4.1Å; F326-F427 AromaticContact CD1-CE2 3.77Å; F326-F427 HydrophobicContact CD1-CE2 3.77Å; F326-F427 HydrophobicContact CE1-CD2 4.23Å; F326-F427 AromaticContact CE1-CE2 3.95Å; F326-F427 HydrophobicContact CE1-CE2 3.95Å; L351-F427 HydrophobicContact CB-CD2 4Å; L351-F427 HydrophobicContact CD1-CD2 4.42Å; N353-F427 HydrophobicContact CB-CD2 4.48Å; N353-F427 HydrophobicContact CB-CE2 3.59Å; N353-F427 HydrophobicContact CB-CZ 3.65Å; R410-F427 HydrophobicContact CG-CD1 4.49Å; R410-F427 HydrophobicContact CG-CE1 3.69Å; R410-F427 HydrophobicContact CG-CZ 4.2Å; L413-F427 HydrophobicContact CD1-CB 4.12Å; L413-F427 HydrophobicContact CD2-CB 3.54Å; L413-F427 HydrophobicContact CD2-CD1 4.33Å; L413-F427 HydrophobicContact CD2-CG 3.96Å; L413-F427 HydrophobicContact CG-CB 4.31Å; W425-F427 PolarHBondContact O-N 3.05Å; F427-E429 HydrophobicContact CD1-CG 3.81Å; F427-E429 HydrophobicContact CE1-CG 3.78Å; F427-E429 VanDerWaalsContact CE1-OE1 3.31Å; F427-E429 WeakPolarHBondContact CE1-OE1 3.45Å; F427-E429 PolarHBondContact O-N 3.46Å; F427-L474 WeakPolarHBondContact O-CD2 3.32Å |
| 428 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 109.9 | -175.6 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | D350 L351 L352 N353 N426 I430 L474 Y483 | D350-V428 HydrophobicContact CB-CG2 4.49Å; L351-V428 PolarHBondContact O-N 3.12Å; L352-V428 HydrophobicContact CD2-CB 3.94Å; L352-V428 HydrophobicContact CD2-CG1 4.47Å; L352-V428 HydrophobicContact CD2-CG2 3.85Å; N353-V428 PolarHBondContact N-O 3.01Å; N353-V428 VanDerWaalsContact N-O 3.13Å; N426-V428 PolarHBondContact O-N 3.1Å; N426-V428 VanDerWaalsContact O-N 3.16Å; V428-I430 HydrophobicContact CG1-CG1 4.01Å; V428-I430 PolarHBondContact O-N 3.07Å; V428-L474 HydrophobicContact CG2-CD2 4.06Å; V428-Y483 HydrophobicContact CB-CD1 4.46Å; V428-Y483 HydrophobicContact CG1-CD1 4.06Å; V428-Y483 HydrophobicContact CG2-CD1 3.53Å; V428-Y483 HydrophobicContact CG2-CE1 3.66Å |
| 429 | E | 97.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 96.5 | 178 | -53.8 | -151.6 | 160.2 | 0 | 0 | 112.5 | R406 R410 F427 G472 W473 V475 | R406-E429 WeakPolarHBondContact CD-OE1 3.37Å; R406-E429 VanDerWaalsContact CZ-CB 3.45Å; R406-E429 IonicContact NE-OE2 3.43Å; R406-E429 VanDerWaalsContact NH1-CB 3.31Å; R406-E429 VanDerWaalsContact NH1-CG 3.26Å; R410-E429 IonicContact CZ-OE1 3.24Å; R410-E429 IonicContact CZ-OE2 2.95Å; R410-E429 IonicContact NE-OE1 3.02Å; R410-E429 PolarHBondContact NE-OE1 3.17Å; R410-E429 IonicContact NE-OE2 2.68Å; R410-E429 IonicContact NH2-OE1 3.81Å; R410-E429 PolarHBondContact NH2-OE1 3.1Å; R410-E429 VanDerWaalsContact NH2-OE1 3.09Å; R410-E429 IonicContact NH2-OE2 2.8Å; R410-E429 PolarHBondContact NH2-OE2 3.47Å; F427-E429 HydrophobicContact CD1-CG 3.81Å; F427-E429 HydrophobicContact CE1-CG 3.78Å; F427-E429 VanDerWaalsContact CE1-OE1 3.31Å; F427-E429 WeakPolarHBondContact CE1-OE1 3.45Å; F427-E429 PolarHBondContact O-N 3.46Å; E429-G472 CarbonylContact O-C 3.56Å; E429-G472 VanDerWaalsContact O-CA 3.25Å; E429-G472 WeakPolarHBondContact O-CA 3.49Å; E429-W473 HydrophobicContact CB-CB 4.43Å; E429-W473 WeakPolarHBondContact CB-O 3.47Å; E429-W473 PolarHBondContact N-O 3.11Å; E429-W473 PolarHBondContact O-N 3.19Å; E429-V475 HydrophobicContact CG-CG2 4.39Å |
| 430 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109 | 179.7 | -55.3 | 167.7 | 0 | 0 | 0 | 108.6 | L352 N353 V354 A355 R406 V428 V432 A467 | L352-I430 HydrophobicContact CB-CD1 4.19Å; N353-I430 PolarHBondContact O-N 3.18Å; V354-I430 CarbonylContact C-O 3.6Å; V354-I430 WeakPolarHBondContact CA-O 3.33Å; V354-I430 HydrophobicContact CB-CB 4.43Å; V354-I430 HydrophobicContact CG2-CB 4.48Å; V354-I430 HydrophobicContact CG2-CG2 4.14Å; A355-I430 PolarHBondContact N-O 3.45Å; R406-I430 PolarHBondContact NH2-O 3.18Å; V428-I430 HydrophobicContact CG1-CG1 4.01Å; V428-I430 PolarHBondContact O-N 3.07Å; I430-V432 HydrophobicContact CG2-CG2 4.28Å; I430-A467 WeakPolarHBondContact CD1-O 3.46Å |
| 431 | N | 96.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.7 | -177.8 | -66.7 | -24.3 | 0 | 0 | 0 | 108.7 | A355 I357 R406 | A355-N431 WeakPolarHBondContact O-CA 3.38Å; I357-N431 HydrophobicContact CD1-CB 3.62Å; R406-N431 PolarHBondContact NH2-OD1 3.3Å |
| 432 | V | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.4 | -173.8 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | V354 A355 F356 I357 I430 E436 L437 F466 | V354-V432 HydrophobicContact CG2-CG2 3.97Å; A355-V432 PolarHBondContact O-N 3.33Å; F356-V432 WeakPolarHBondContact CA-O 3.43Å; F356-V432 HydrophobicContact CD1-CB 3.8Å; F356-V432 HydrophobicContact CD1-CG1 3.88Å; F356-V432 HydrophobicContact CE1-CB 3.85Å; F356-V432 HydrophobicContact CE1-CG1 3.71Å; F356-V432 HydrophobicContact CE1-CG2 4.2Å; F356-V432 HydrophobicContact CG-CB 4.46Å; F356-V432 HydrophobicContact CZ-CG2 4.47Å; I357-V432 PolarHBondContact N-O 3.32Å; I430-V432 HydrophobicContact CG2-CG2 4.28Å; V432-E436 HydrophobicContact CG1-CB 4.34Å; V432-E436 HydrophobicContact CG1-CG 4.39Å; V432-L437 HydrophobicContact CG1-CB 4.18Å; V432-F466 HydrophobicContact CB-CD1 4.41Å; V432-F466 HydrophobicContact CG1-CD1 3.95Å; V432-F466 HydrophobicContact CG1-CD2 4.12Å; V432-F466 HydrophobicContact CG1-CE1 3.66Å; V432-F466 HydrophobicContact CG1-CE2 3.87Å; V432-F466 HydrophobicContact CG1-CG 4.17Å; V432-F466 HydrophobicContact CG1-CZ 3.62Å; V432-F466 HydrophobicContact CG2-CB 3.84Å; V432-F466 HydrophobicContact CG2-CD1 3.51Å; V432-F466 HydrophobicContact CG2-CD2 4.25Å; V432-F466 HydrophobicContact CG2-CE1 4.08Å; V432-F466 HydrophobicContact CG2-CG 3.61Å |
| 433 | S | 94.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 163 | 174.2 | 75.5 | 0 | 0 | 0 | 0 | 111.4 | E435 E436 L437 | S433-E435 VanDerWaalsContact C-N 3.31Å; S433-E435 PolarHBondContact O-N 3.44Å; S433-E436 PolarHBondContact O-N 3.48Å; S433-E436 WeakPolarHBondContact OG-CB 3.34Å; S433-E436 PolarHBondContact OG-N 3.09Å; S433-L437 PolarHBondContact O-N 3.49Å |
| 434 | M | 91.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 20% | 0.197 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 173.8 | 178 | 60 | 81.1 | 0 | 0 | 111.9 | E436 L437 Q438 M613 E614 | M434-E436 VanDerWaalsContact C-N 3.35Å; M434-E436 PolarHBondContact O-N 3.23Å; M434-L437 PolarHBondContact O-N 2.87Å; M434-Q438 HydrophobicContact CG-CG 4.38Å; M434-Q438 WeakPolarHBondContact O-CB 3.18Å; M434-Q438 WeakPolarHBondContact O-CG 3.49Å; M434-Q438 PolarHBondContact O-N 3.44Å; M434-Q438 HydrophobicContact SD-CG 3.93Å; M434-M613 HydrophobicContact CB-CE 4.36Å; M434-M613 HydrophobicContact CB-SD 4.41Å; M434-M613 HydrophobicContact CE-CB 3.77Å; M434-M613 HydrophobicContact CE-CE 3.96Å; M434-M613 HydrophobicContact CE-CG 3.44Å; M434-M613 VanDerWaalsContact CE-CG 3.44Å; M434-M613 WeakPolarHBondContact CE-O 3.48Å; M434-M613 HydrophobicContact CE-SD 4.19Å; M434-M613 HydrophobicContact SD-CE 3.71Å; M434-M613 HydrophobicContact SD-CG 4.44Å; M434-E614 HydrophobicContact CE-CG 3.47Å; M434-E614 VanDerWaalsContact CE-CG 3.47Å; M434-E614 HydrophobicContact SD-CG 3.66Å |
| 435 | E | 93.1 | Very high | 95.1 | Very high | 130 Ų | 130 | 41.2 Ų | 41.2 | 61% | 0.607 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.7 | -43.9 | -178.1 | -58.4 | -175.6 | 161.2 | 0 | 0 | 111.4 | S433 Q438 K439 | S433-E435 VanDerWaalsContact C-N 3.31Å; S433-E435 PolarHBondContact O-N 3.44Å; E435-Q438 PolarHBondContact O-N 2.98Å; E435-K439 VanDerWaalsContact O-CB 3.3Å; E435-K439 WeakPolarHBondContact O-CB 3.18Å; E435-K439 PolarHBondContact O-N 3.08Å |
| 436 | E | 95.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.9 | -175.4 | -178.4 | -168.2 | 0 | 0 | 111.2 | V432 S433 M434 Q438 K439 L440 F466 R469 | V432-E436 HydrophobicContact CG1-CB 4.34Å; V432-E436 HydrophobicContact CG1-CG 4.39Å; S433-E436 PolarHBondContact O-N 3.48Å; S433-E436 WeakPolarHBondContact OG-CB 3.34Å; S433-E436 PolarHBondContact OG-N 3.09Å; M434-E436 VanDerWaalsContact C-N 3.35Å; M434-E436 PolarHBondContact O-N 3.23Å; E436-Q438 PolarHBondContact O-N 3.4Å; E436-K439 PolarHBondContact O-N 2.83Å; E436-L440 HydrophobicContact CG-CD1 3.73Å; E436-L440 WeakPolarHBondContact O-CB 3.17Å; E436-L440 PolarHBondContact O-N 3.43Å; E436-F466 HydrophobicContact CG-CE1 3.85Å; E436-F466 HydrophobicContact CG-CZ 4.08Å; E436-R469 IonicContact OE1-CZ 2.92Å; E436-R469 IonicContact OE1-NH1 2.93Å; E436-R469 PolarHBondContact OE1-NH1 3.01Å; E436-R469 IonicContact OE1-NH2 3.51Å; E436-R469 PolarHBondContact OE1-NH2 3.33Å; E436-R469 IonicContact OE2-NH2 2.76Å |
| 437 | L | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -52.5 | 175.2 | 172.1 | 61.5 | 0 | 0 | 0 | 110.6 | F356 V432 S433 M434 K439 L440 R441 C462 F466 I610 M613 | F356-L437 HydrophobicContact CD1-CD2 4.19Å; F356-L437 HydrophobicContact CE1-CB 4.44Å; F356-L437 HydrophobicContact CE1-CD1 4.05Å; F356-L437 HydrophobicContact CE1-CD2 4.2Å; F356-L437 HydrophobicContact CE1-CG 4.44Å; V432-L437 HydrophobicContact CG1-CB 4.18Å; S433-L437 PolarHBondContact O-N 3.49Å; M434-L437 PolarHBondContact O-N 2.87Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 3.44Å; L437-L440 PolarHBondContact O-N 3.42Å; L437-R441 HydrophobicContact CD1-CB 4.35Å; L437-R441 WeakPolarHBondContact O-CB 3.42Å; L437-R441 PolarHBondContact O-N 2.75Å; L437-C462 HydrophobicContact CD1-CB 3.77Å; L437-F466 HydrophobicContact CB-CE2 4.47Å; L437-F466 HydrophobicContact CD1-CD2 4.49Å; L437-F466 HydrophobicContact CD1-CE2 3.76Å; L437-I610 HydrophobicContact CD1-CD1 4.17Å; L437-I610 HydrophobicContact CD2-CD1 4Å; L437-I610 HydrophobicContact CD2-CG1 3.99Å; L437-M613 HydrophobicContact CB-CE 3.75Å; L437-M613 HydrophobicContact CD2-CE 3.12Å; L437-M613 HydrophobicContact CG-CE 4.02Å |
| 438 | Q | 93.7 | Very high | 94.4 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | -175.5 | -74.1 | -179.2 | -11.9 | 0 | 0 | 112.2 | M434 E435 E436 R442 E614 | M434-Q438 HydrophobicContact CG-CG 4.38Å; M434-Q438 WeakPolarHBondContact O-CB 3.18Å; M434-Q438 WeakPolarHBondContact O-CG 3.49Å; M434-Q438 PolarHBondContact O-N 3.44Å; M434-Q438 HydrophobicContact SD-CG 3.93Å; E435-Q438 PolarHBondContact O-N 2.98Å; E436-Q438 PolarHBondContact O-N 3.4Å; Q438-R442 WeakPolarHBondContact O-CG 3.47Å; Q438-R442 PolarHBondContact O-N 3.13Å; Q438-E614 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E614 PolarHBondContact NE2-OE1 2.92Å |
| 439 | K | 94.7 | Very high | 94.2 | Very high | 146 Ų | 146 | 40.3 Ų | 40.3 | 64% | 0.635 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.3 | -60.4 | 177.2 | -178.5 | 179.8 | 178.4 | -179 | 0 | 110.6 | E435 E436 L437 R441 R442 T443 | E435-K439 VanDerWaalsContact O-CB 3.3Å; E435-K439 WeakPolarHBondContact O-CB 3.18Å; E435-K439 PolarHBondContact O-N 3.08Å; E436-K439 PolarHBondContact O-N 2.83Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 3.44Å; K439-R441 VanDerWaalsContact C-N 3.33Å; K439-R441 PolarHBondContact O-N 3.25Å; K439-R442 PolarHBondContact O-N 2.93Å; K439-T443 WeakPolarHBondContact O-CG2 3.13Å; K439-T443 PolarHBondContact O-N 3.34Å; K439-T443 PolarHBondContact O-OG1 2.91Å |
| 440 | L | 96 | Very high | 93.8 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.1 | -31.4 | -172.8 | -68.4 | 172.9 | 0 | 0 | 0 | 112.5 | E436 L437 R442 R444 I445 W465 F466 | E436-L440 HydrophobicContact CG-CD1 3.73Å; E436-L440 WeakPolarHBondContact O-CB 3.17Å; E436-L440 PolarHBondContact O-N 3.43Å; L437-L440 PolarHBondContact O-N 3.42Å; L440-R442 VanDerWaalsContact C-N 3.35Å; L440-R442 PolarHBondContact O-N 3Å; L440-R444 WeakPolarHBondContact O-CA 3.49Å; L440-R444 WeakPolarHBondContact O-CB 3.35Å; L440-R444 PolarHBondContact O-N 3.33Å; L440-I445 HydrophobicContact CB-CD1 4.38Å; L440-I445 PolarHBondContact O-N 3.38Å; L440-W465 HydrophobicContact CB-CZ3 4.42Å; L440-W465 HydrophobicContact CD1-CH2 3.87Å; L440-W465 HydrophobicContact CD1-CZ3 3.75Å; L440-W465 HydrophobicContact CD2-CH2 4.31Å; L440-W465 HydrophobicContact CG-CH2 4.47Å; L440-F466 HydrophobicContact CB-CZ 3.99Å; L440-F466 HydrophobicContact CD1-CE1 3.6Å; L440-F466 HydrophobicContact CD1-CZ 3.71Å; L440-F466 HydrophobicContact CG-CZ 4.43Å |
| 441 | R | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -57.7 | -47.9 | 171.5 | 178.3 | 177.3 | 55.4 | -161 | -3.1 | 112 | L437 K439 C446 D458 E614 R626 L627 | L437-R441 HydrophobicContact CD1-CB 4.35Å; L437-R441 WeakPolarHBondContact O-CB 3.42Å; L437-R441 PolarHBondContact O-N 2.75Å; K439-R441 VanDerWaalsContact C-N 3.33Å; K439-R441 PolarHBondContact O-N 3.25Å; R441-C446 WeakPolarHBondContact O-CB 3.32Å; R441-C446 PolarHBondContact O-N 2.85Å; R441-C446 PolarHBondContact O-SG 3.19Å; R441-D458 WeakPolarHBondContact CD-OD1 3.47Å; R441-D458 IonicContact NH1-OD2 3.34Å; R441-D458 PolarHBondContact NH1-OD2 2.86Å; R441-E614 IonicContact CZ-OE1 3.19Å; R441-E614 IonicContact CZ-OE2 3.81Å; R441-E614 VanDerWaalsContact CZ-OE2 3.24Å; R441-E614 IonicContact NH1-OE1 2.84Å; R441-E614 IonicContact NH1-OE2 3.81Å; R441-E614 PolarHBondContact NH1-OE2 3.44Å; R441-E614 VanDerWaalsContact NH2-CD 3.27Å; R441-E614 IonicContact NH2-OE1 2.68Å; R441-E614 PolarHBondContact NH2-OE1 2.81Å; R441-E614 IonicContact NH2-OE2 2.85Å; R441-E614 PolarHBondContact NH2-OE2 2.96Å; R441-R626 VanDerWaalsContact NH1-CD 3.27Å; R441-R626 VanDerWaalsContact NH1-NE 3.19Å; R441-L627 HydrophobicContact CG-CD2 4.31Å |
| 442 | R | 91 | Very high | 93.3 | Very high | 154 Ų | 154 | 41.9 Ų | 41.9 | 58% | 0.581 | 20% | 0.2 | S | C | * | . | I | π-helix | trans | -75.6 | -35.4 | -176.3 | -72.2 | 176.8 | -179.9 | 169.4 | 3.5 | 113.3 | Q438 K439 L440 C446 | Q438-R442 WeakPolarHBondContact O-CG 3.47Å; Q438-R442 PolarHBondContact O-N 3.13Å; K439-R442 PolarHBondContact O-N 2.93Å; L440-R442 VanDerWaalsContact C-N 3.35Å; L440-R442 PolarHBondContact O-N 3Å; R442-C446 PolarHBondContact O-SG 3.09Å |
| 443 | T | 90.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 52% | 0.521 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -95.6 | -16.9 | -173.7 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | K439 | K439-T443 WeakPolarHBondContact O-CG2 3.13Å; K439-T443 PolarHBondContact O-N 3.34Å; K439-T443 PolarHBondContact O-OG1 2.91Å |
| 444 | R | 93.9 | Very high | 93.1 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 9% | 0.087 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -136.4 | -60.6 | -174.3 | -172.2 | 60 | -177.4 | 163.7 | 1.7 | 114.1 | Y25 N26 L440 C446 H447 L448 W465 D543 | Y25-R444 VanDerWaalsContact CD1-NH1 3.28Å; Y25-R444 VanDerWaalsContact CE1-CZ 3.41Å; N26-R444 VanDerWaalsContact OD1-CZ 3.25Å; N26-R444 PolarHBondContact OD1-NH1 3.19Å; N26-R444 PolarHBondContact OD1-NH2 3.19Å; L440-R444 WeakPolarHBondContact O-CA 3.49Å; L440-R444 WeakPolarHBondContact O-CB 3.35Å; L440-R444 PolarHBondContact O-N 3.33Å; R444-C446 VanDerWaalsContact C-N 3.32Å; R444-C446 PolarHBondContact O-N 3.41Å; R444-H447 PolarHBondContact O-N 3.32Å; R444-L448 HydrophobicContact CG-CD1 4.34Å; R444-W465 HydrophobicContact CG-CZ2 3.94Å; R444-D543 IonicContact CZ-OD1 3.45Å; R444-D543 IonicContact CZ-OD2 3.91Å; R444-D543 IonicContact NE-OD1 2.98Å; R444-D543 PolarHBondContact NE-OD1 2.87Å; R444-D543 IonicContact NE-OD2 3.99Å; R444-D543 PolarHBondContact NE-OD2 2.99Å; R444-D543 IonicContact NH2-OD1 3.05Å; R444-D543 PolarHBondContact NH2-OD1 3.28Å |
| 445 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -69 | -32.4 | -164.8 | -51.6 | 170.9 | 0 | 0 | 0 | 111.3 | L440 H447 L448 I449 C462 W465 F466 V540 | L440-I445 HydrophobicContact CB-CD1 4.38Å; L440-I445 PolarHBondContact O-N 3.38Å; I445-H447 PolarHBondContact O-N 3.48Å; I445-L448 PolarHBondContact O-N 3.46Å; I445-I449 HydrophobicContact CG2-CD1 3.65Å; I445-I449 HydrophobicContact CG2-CG1 3.95Å; I445-I449 PolarHBondContact O-N 3.09Å; I445-I449 VanDerWaalsContact O-N 3.09Å; I445-C462 HydrophobicContact CD1-CB 4.37Å; I445-W465 HydrophobicContact CD1-CB 4.15Å; I445-W465 HydrophobicContact CD1-CD2 3.78Å; I445-W465 HydrophobicContact CD1-CE3 3.69Å; I445-W465 HydrophobicContact CD1-CG 4Å; I445-W465 HydrophobicContact CD1-CZ3 4.4Å; I445-W465 HydrophobicContact CG1-CB 4.31Å; I445-W465 HydrophobicContact CG1-CD2 3.69Å; I445-W465 HydrophobicContact CG1-CE3 4.07Å; I445-W465 HydrophobicContact CG1-CG 3.79Å; I445-W465 HydrophobicContact CG2-CB 4.37Å; I445-W465 HydrophobicContact CG2-CG 4.48Å; I445-F466 HydrophobicContact CD1-CD2 4.25Å; I445-F466 HydrophobicContact CD1-CE2 3.79Å; I445-F466 HydrophobicContact CD1-CZ 4.45Å; I445-V540 HydrophobicContact CG2-CG1 4.47Å |
| 446 | C | 91.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.1 | -39.5 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | R441 R442 R444 L448 Q450 L627 | R441-C446 WeakPolarHBondContact O-CB 3.32Å; R441-C446 PolarHBondContact O-N 2.85Å; R441-C446 PolarHBondContact O-SG 3.19Å; R442-C446 PolarHBondContact O-SG 3.09Å; R444-C446 VanDerWaalsContact C-N 3.32Å; R444-C446 PolarHBondContact O-N 3.41Å; C446-L448 VanDerWaalsContact C-N 3.28Å; C446-L448 PolarHBondContact O-N 2.76Å; C446-Q450 WeakPolarHBondContact O-CG 3.47Å; C446-L627 HydrophobicContact CB-CD2 4.26Å |
| 447 | H | 90.8 | Very high | 93 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.6 | -28.8 | 178.4 | -58.4 | -68.2 | 0 | 0 | 0 | 113.1 | Q162 R444 I445 I629 | Q162-H447 VanDerWaalsContact CB-ND1 3.31Å; Q162-H447 WeakPolarHBondContact CB-ND1 3.43Å; Q162-H447 PolarHBondContact N-ND1 2.93Å; R444-H447 PolarHBondContact O-N 3.32Å; I445-H447 PolarHBondContact O-N 3.48Å; H447-I629 WeakPolarHBondContact CE1-CD1 3.39Å |
| 448 | L | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -89.3 | -25.4 | -174.3 | -55.3 | 172.2 | 0 | 0 | 0 | 112.5 | V159 R444 I445 C446 R539 V540 D543 | V159-L448 HydrophobicContact CG2-CD2 3.85Å; R444-L448 HydrophobicContact CG-CD1 4.34Å; I445-L448 PolarHBondContact O-N 3.46Å; C446-L448 VanDerWaalsContact C-N 3.28Å; C446-L448 PolarHBondContact O-N 2.76Å; L448-R539 HydrophobicContact CB-CB 4.46Å; L448-R539 VanDerWaalsContact O-CB 3.32Å; L448-R539 WeakPolarHBondContact O-CB 3.39Å; L448-R539 WeakPolarHBondContact O-CD 3.42Å; L448-R539 PolarHBondContact O-NE 2.95Å; L448-V540 HydrophobicContact CB-CG1 3.87Å; L448-D543 HydrophobicContact CD1-CB 3.56Å; L448-D543 VanDerWaalsContact CD1-CG 3.46Å; L448-D543 WeakPolarHBondContact CD1-OD2 3.43Å; L448-D543 HydrophobicContact CD2-CB 4.3Å |
| 449 | I | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.6 | -35.3 | 179.1 | -67.9 | 173.5 | 0 | 0 | 0 | 111.1 | I445 L452 D457 R536 R539 V540 L627 | I445-I449 HydrophobicContact CG2-CD1 3.65Å; I445-I449 HydrophobicContact CG2-CG1 3.95Å; I445-I449 PolarHBondContact O-N 3.09Å; I445-I449 VanDerWaalsContact O-N 3.09Å; I449-L452 HydrophobicContact CG2-CB 4.04Å; I449-L452 WeakPolarHBondContact CG2-O 3.42Å; I449-L452 PolarHBondContact O-N 2.83Å; I449-D457 HydrophobicContact CG2-CB 3.84Å; I449-R536 HydrophobicContact CG1-CG 4.37Å; I449-R536 HydrophobicContact CG2-CG 4.42Å; I449-R539 PolarHBondContact O-NH2 3.24Å; I449-V540 HydrophobicContact CG1-CG1 4.35Å; I449-L627 HydrophobicContact CD1-CD1 4.46Å; I449-L627 HydrophobicContact CD1-CD2 3.79Å; I449-L627 HydrophobicContact CG2-CD1 4.01Å |
| 450 | Q | 89.6 | Confident | 93 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 137.8 | 178.3 | -73.7 | -65.2 | -53.5 | 0 | 0 | 112.6 | C446 L452 R539 | C446-Q450 WeakPolarHBondContact O-CG 3.47Å; Q450-L452 PolarHBondContact NE2-O 3.21Å; Q450-R539 PolarHBondContact O-NE 2.8Å; Q450-R539 VanDerWaalsContact O-NE 3.09Å; Q450-R539 PolarHBondContact O-NH1 3.29Å; Q450-R539 PolarHBondContact O-NH2 3.03Å |
| 451 | P | 90.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 21% | 0.208 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.5 | -1.2 | 14.6 | 34.1 | -39.8 | 0 | 0 | 0 | 115.4 | W170 E172 | W170-P451 VanDerWaalsContact O-CB 3.31Å; W170-P451 WeakPolarHBondContact O-CB 3.43Å; E172-P451 HydrophobicContact CB-CG 4.31Å |
| 452 | L | 92.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 15% | 0.152 | 14% | 0.136 | C | C | . | . | trans | -69.9 | 147.7 | 178.4 | -58.9 | -176 | 0 | 0 | 0 | 110.9 | I449 Q450 D457 R536 | I449-L452 HydrophobicContact CG2-CB 4.04Å; I449-L452 WeakPolarHBondContact CG2-O 3.42Å; I449-L452 PolarHBondContact O-N 2.83Å; Q450-L452 PolarHBondContact NE2-O 3.21Å; L452-D457 HydrophobicContact CB-CB 3.81Å; L452-D457 HydrophobicContact CD1-CB 4.43Å; L452-D457 WeakPolarHBondContact CD1-OD1 3.46Å; L452-R536 HydrophobicContact CD1-CB 3.9Å | ||
| 453 | D | 91.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 19.8 Ų | 19.8 | 29% | 0.289 | 11% | 0.108 | S | C | . | . | trans | -147.4 | 11.9 | -171.3 | 71.2 | -6.7 | 0 | 0 | 0 | 114.4 | K623 C624 | D453-K623 WeakPolarHBondContact OD2-CE 3.4Å; D453-K623 IonicContact OD2-NZ 3.66Å; D453-C624 WeakPolarHBondContact O-CB 3.38Å; D453-C624 PolarHBondContact O-N 2.92Å | ||
| 454 | T | 93.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 16 Ų | 16 | 11% | 0.11 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 164.6 | 179.9 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | L456 D457 D458 D622 | T454-L456 PolarHBondContact O-N 2.93Å; T454-L456 PolarHBondContact OG1-N 2.98Å; T454-D457 WeakPolarHBondContact CB-OD2 3.49Å; T454-D457 PolarHBondContact N-OD2 2.95Å; T454-D457 PolarHBondContact O-N 3.2Å; T454-D457 VanDerWaalsContact O-N 3.1Å; T454-D457 PolarHBondContact OG1-N 2.92Å; T454-D457 PolarHBondContact OG1-OD2 2.88Å; T454-D458 PolarHBondContact O-N 2.81Å; T454-D622 CarbonylContact C-O 3.46Å; T454-D622 VanDerWaalsContact CA-O 3.25Å; T454-D622 WeakPolarHBondContact CA-O 3.46Å |
| 455 | V | 92.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 10% | 0.103 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | S459 E618 D622 C624 | V455-S459 WeakPolarHBondContact O-CB 3.44Å; V455-S459 PolarHBondContact O-N 3.49Å; V455-S459 PolarHBondContact O-OG 3.39Å; V455-E618 HydrophobicContact CG2-CB 4Å; V455-D622 PolarHBondContact N-O 3.4Å; V455-C624 HydrophobicContact CG2-CB 4.05Å |
| 456 | L | 92.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 15.5 Ų | 15.5 | 29% | 0.288 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 173.6 | -175.2 | 58.7 | 0 | 0 | 0 | 111.3 | T454 S459 I460 A620 | T454-L456 PolarHBondContact O-N 2.93Å; T454-L456 PolarHBondContact OG1-N 2.98Å; L456-S459 PolarHBondContact O-N 3.21Å; L456-I460 HydrophobicContact CD1-CD1 3.56Å; L456-I460 HydrophobicContact CD1-CG1 4.08Å; L456-I460 HydrophobicContact CG-CD1 3.9Å; L456-I460 WeakPolarHBondContact O-CG1 3.35Å; L456-I460 PolarHBondContact O-N 3.25Å; L456-A620 HydrophobicContact CB-CB 4.18Å; L456-A620 WeakPolarHBondContact CB-O 3.37Å; L456-A620 PolarHBondContact N-O 3.22Å |
| 457 | D | 94.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | -179.3 | -60.6 | -49.8 | 0 | 0 | 0 | 111.9 | I449 L452 T454 G461 R536 | I449-D457 HydrophobicContact CG2-CB 3.84Å; L452-D457 HydrophobicContact CB-CB 3.81Å; L452-D457 HydrophobicContact CD1-CB 4.43Å; L452-D457 WeakPolarHBondContact CD1-OD1 3.46Å; T454-D457 WeakPolarHBondContact CB-OD2 3.49Å; T454-D457 PolarHBondContact N-OD2 2.95Å; T454-D457 PolarHBondContact O-N 3.2Å; T454-D457 VanDerWaalsContact O-N 3.1Å; T454-D457 PolarHBondContact OG1-N 2.92Å; T454-D457 PolarHBondContact OG1-OD2 2.88Å; D457-G461 WeakPolarHBondContact O-CA 3.31Å; D457-G461 PolarHBondContact O-N 3.32Å; D457-R536 IonicContact OD1-NH1 3.39Å; D457-R536 PolarHBondContact OD1-NH1 3.03Å |
| 458 | D | 94.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.2 | -54.1 | 169.1 | 178.6 | 45.2 | 0 | 0 | 0 | 111.4 | R441 T454 C462 C624 R626 L627 | R441-D458 WeakPolarHBondContact CD-OD1 3.47Å; R441-D458 IonicContact NH1-OD2 3.34Å; R441-D458 PolarHBondContact NH1-OD2 2.86Å; T454-D458 PolarHBondContact O-N 2.81Å; D458-C462 VanDerWaalsContact O-CB 3.26Å; D458-C462 WeakPolarHBondContact O-CB 3.35Å; D458-C462 PolarHBondContact O-N 3.27Å; D458-C462 PolarHBondContact O-SG 3.19Å; D458-C624 HydrophobicContact CB-CB 4.3Å; D458-R626 IonicContact OD2-CZ 2.86Å; D458-R626 IonicContact OD2-NE 2.91Å; D458-R626 PolarHBondContact OD2-NE 2.84Å; D458-R626 IonicContact OD2-NH2 2.6Å; D458-R626 PolarHBondContact OD2-NH2 3.38Å; D458-L627 HydrophobicContact CB-CD1 3.98Å; D458-L627 HydrophobicContact CB-CD2 4.17Å; D458-L627 HydrophobicContact CB-CG 4.08Å; D458-L627 WeakPolarHBondContact OD1-CD2 3.2Å |
| 459 | S | 94.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | -172.9 | -59 | 0 | 0 | 0 | 0 | 112.4 | V455 L456 A463 | V455-S459 WeakPolarHBondContact O-CB 3.44Å; V455-S459 PolarHBondContact O-N 3.49Å; V455-S459 PolarHBondContact O-OG 3.39Å; L456-S459 PolarHBondContact O-N 3.21Å; S459-A463 WeakPolarHBondContact O-CB 3.33Å; S459-A463 PolarHBondContact O-N 3.33Å |
| 460 | I | 95.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 15.7 Ų | 15.7 | 17% | 0.174 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.6 | -45.5 | 178.7 | -62 | 174.4 | 0 | 0 | 0 | 110.1 | L456 C462 A463 V464 R536 | L456-I460 HydrophobicContact CD1-CD1 3.56Å; L456-I460 HydrophobicContact CD1-CG1 4.08Å; L456-I460 HydrophobicContact CG-CD1 3.9Å; L456-I460 WeakPolarHBondContact O-CG1 3.35Å; L456-I460 PolarHBondContact O-N 3.25Å; I460-C462 VanDerWaalsContact C-N 3.34Å; I460-C462 PolarHBondContact O-N 3.48Å; I460-A463 PolarHBondContact O-N 3.18Å; I460-V464 HydrophobicContact CG2-CG2 3.99Å; I460-V464 WeakPolarHBondContact O-CG2 3.27Å; I460-V464 PolarHBondContact O-N 3.01Å; I460-R536 VanDerWaalsContact CG2-NH2 3.3Å |
| 461 | G | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | D457 W465 | D457-G461 WeakPolarHBondContact O-CA 3.31Å; D457-G461 PolarHBondContact O-N 3.32Å; G461-W465 VanDerWaalsContact O-CB 3.27Å; G461-W465 WeakPolarHBondContact O-CB 3.49Å; G461-W465 PolarHBondContact O-N 3.5Å |
| 462 | C | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.4 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | L437 I445 D458 I460 V464 W465 F466 I610 | L437-C462 HydrophobicContact CD1-CB 3.77Å; I445-C462 HydrophobicContact CD1-CB 4.37Å; D458-C462 VanDerWaalsContact O-CB 3.26Å; D458-C462 WeakPolarHBondContact O-CB 3.35Å; D458-C462 PolarHBondContact O-N 3.27Å; D458-C462 PolarHBondContact O-SG 3.19Å; I460-C462 VanDerWaalsContact C-N 3.34Å; I460-C462 PolarHBondContact O-N 3.48Å; C462-V464 VanDerWaalsContact C-N 3.34Å; C462-V464 PolarHBondContact O-N 2.96Å; C462-W465 PolarHBondContact O-N 3.48Å; C462-F466 VanDerWaalsContact O-CD2 3.25Å; C462-F466 WeakPolarHBondContact O-CD2 3.25Å; C462-F466 PolarHBondContact O-N 3.43Å; C462-I610 HydrophobicContact CB-CD1 3.47Å; C462-I610 VanDerWaalsContact CB-CD1 3.47Å |
| 463 | A | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V354 F356 S459 I460 A467 M604 | V354-A463 HydrophobicContact CG1-CB 4.49Å; F356-A463 HydrophobicContact CE2-CB 4.01Å; F356-A463 HydrophobicContact CZ-CB 4.4Å; S459-A463 WeakPolarHBondContact O-CB 3.33Å; S459-A463 PolarHBondContact O-N 3.33Å; I460-A463 PolarHBondContact O-N 3.18Å; A463-A467 VanDerWaalsContact O-CB 3.25Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 2.96Å; A463-M604 HydrophobicContact CB-CG 4.06Å; A463-M604 HydrophobicContact CB-SD 3.74Å |
| 464 | V | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | L325 I460 C462 A467 S468 V540 I541 M604 | L325-V464 HydrophobicContact CD1-CG1 4.13Å; I460-V464 HydrophobicContact CG2-CG2 3.99Å; I460-V464 WeakPolarHBondContact O-CG2 3.27Å; I460-V464 PolarHBondContact O-N 3.01Å; C462-V464 VanDerWaalsContact C-N 3.34Å; C462-V464 PolarHBondContact O-N 2.96Å; V464-A467 PolarHBondContact O-N 3.46Å; V464-S468 WeakPolarHBondContact O-CB 3.45Å; V464-S468 PolarHBondContact O-N 2.92Å; V464-S468 PolarHBondContact O-OG 2.99Å; V464-V540 HydrophobicContact CB-CG2 3.97Å; V464-V540 HydrophobicContact CG1-CG2 3.65Å; V464-I541 HydrophobicContact CG1-CD1 3.74Å; V464-I541 HydrophobicContact CG1-CG1 3.53Å; V464-M604 HydrophobicContact CG2-CE 4.5Å; V464-M604 HydrophobicContact CG2-SD 3.95Å |
| 465 | W | 98.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58 | -54.5 | 175.8 | -170.2 | 89.5 | 0 | 0 | 0 | 110.7 | L440 R444 I445 G461 C462 A467 S468 R469 V540 D543 H544 | L440-W465 HydrophobicContact CB-CZ3 4.42Å; L440-W465 HydrophobicContact CD1-CH2 3.87Å; L440-W465 HydrophobicContact CD1-CZ3 3.75Å; L440-W465 HydrophobicContact CD2-CH2 4.31Å; L440-W465 HydrophobicContact CG-CH2 4.47Å; R444-W465 HydrophobicContact CG-CZ2 3.94Å; I445-W465 HydrophobicContact CD1-CB 4.15Å; I445-W465 HydrophobicContact CD1-CD2 3.78Å; I445-W465 HydrophobicContact CD1-CE3 3.69Å; I445-W465 HydrophobicContact CD1-CG 4Å; I445-W465 HydrophobicContact CD1-CZ3 4.4Å; I445-W465 HydrophobicContact CG1-CB 4.31Å; I445-W465 HydrophobicContact CG1-CD2 3.69Å; I445-W465 HydrophobicContact CG1-CE3 4.07Å; I445-W465 HydrophobicContact CG1-CG 3.79Å; I445-W465 HydrophobicContact CG2-CB 4.37Å; I445-W465 HydrophobicContact CG2-CG 4.48Å; G461-W465 VanDerWaalsContact O-CB 3.27Å; G461-W465 WeakPolarHBondContact O-CB 3.49Å; G461-W465 PolarHBondContact O-N 3.5Å; C462-W465 PolarHBondContact O-N 3.48Å; W465-A467 VanDerWaalsContact C-N 3.35Å; W465-A467 PolarHBondContact O-N 3.4Å; W465-S468 PolarHBondContact O-N 3.4Å; W465-S468 PolarHBondContact O-OG 3.39Å; W465-S468 VanDerWaalsContact O-OG 3.05Å; W465-R469 PolarHBondContact O-N 2.92Å; W465-V540 HydrophobicContact CB-CB 3.97Å; W465-V540 HydrophobicContact CB-CG1 4.46Å; W465-V540 HydrophobicContact CG-CB 4.39Å; W465-D543 PolarHBondContact NE1-OD2 3.37Å; W465-H544 AromaticContact CD1-NE2 3.69Å; W465-H544 AromaticContact CD2-CE1 3.9Å; W465-H544 AromaticContact CD2-NE2 3.39Å; W465-H544 AromaticContact CE2-CE1 3.38Å; W465-H544 AromaticContact CE2-NE2 3.24Å; W465-H544 AromaticContact CE3-NE2 3.92Å; W465-H544 AromaticContact CG-NE2 3.71Å; W465-H544 AromaticContact CH2-CE1 3.73Å; W465-H544 AromaticContact CZ2-CE1 3.31Å; W465-H544 WeakPolarHBondContact CZ2-CE1 2.92Å; W465-H544 AromaticContact CZ2-NE2 3.69Å; W465-H544 AromaticContact NE1-CE1 3.78Å; W465-H544 AromaticContact NE1-NE2 3.43Å; W465-H544 PolarHBondContact NE1-NE2 3.17Å; W465-H544 PolarHBondContact O-NE2 3.49Å; W465-H544 VanDerWaalsContact O-NE2 3.11Å |
| 466 | F | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | 179.6 | -83.1 | -72.1 | 0 | 0 | 0 | 112.8 | V354 F356 V432 E436 L437 L440 I445 C462 R469 | V354-F466 HydrophobicContact CG2-CB 3.9Å; F356-F466 AromaticContact CE1-CD2 3.96Å; F356-F466 HydrophobicContact CE1-CD2 3.96Å; F356-F466 HydrophobicContact CE1-CE2 4.31Å; F356-F466 HydrophobicContact CZ-CB 4.47Å; F356-F466 AromaticContact CZ-CD2 3.95Å; F356-F466 HydrophobicContact CZ-CD2 3.95Å; F356-F466 HydrophobicContact CZ-CG 4.5Å; V432-F466 HydrophobicContact CB-CD1 4.41Å; V432-F466 HydrophobicContact CG1-CD1 3.95Å; V432-F466 HydrophobicContact CG1-CD2 4.12Å; V432-F466 HydrophobicContact CG1-CE1 3.66Å; V432-F466 HydrophobicContact CG1-CE2 3.87Å; V432-F466 HydrophobicContact CG1-CG 4.17Å; V432-F466 HydrophobicContact CG1-CZ 3.62Å; V432-F466 HydrophobicContact CG2-CB 3.84Å; V432-F466 HydrophobicContact CG2-CD1 3.51Å; V432-F466 HydrophobicContact CG2-CD2 4.25Å; V432-F466 HydrophobicContact CG2-CE1 4.08Å; V432-F466 HydrophobicContact CG2-CG 3.61Å; E436-F466 HydrophobicContact CG-CE1 3.85Å; E436-F466 HydrophobicContact CG-CZ 4.08Å; L437-F466 HydrophobicContact CB-CE2 4.47Å; L437-F466 HydrophobicContact CD1-CD2 4.49Å; L437-F466 HydrophobicContact CD1-CE2 3.76Å; L440-F466 HydrophobicContact CB-CZ 3.99Å; L440-F466 HydrophobicContact CD1-CE1 3.6Å; L440-F466 HydrophobicContact CD1-CZ 3.71Å; L440-F466 HydrophobicContact CG-CZ 4.43Å; I445-F466 HydrophobicContact CD1-CD2 4.25Å; I445-F466 HydrophobicContact CD1-CE2 3.79Å; I445-F466 HydrophobicContact CD1-CZ 4.45Å; C462-F466 VanDerWaalsContact O-CD2 3.25Å; C462-F466 WeakPolarHBondContact O-CD2 3.25Å; C462-F466 PolarHBondContact O-N 3.43Å; F466-R469 WeakPolarHBondContact O-CB 3.31Å |
| 467 | A | 98.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L325 L352 V354 I430 A463 V464 W465 R469 G470 | L325-A467 HydrophobicContact CD2-CB 3.78Å; L352-A467 WeakPolarHBondContact CD1-O 3.44Å; V354-A467 HydrophobicContact CB-CB 3.95Å; V354-A467 HydrophobicContact CG1-CB 3.93Å; I430-A467 WeakPolarHBondContact CD1-O 3.46Å; A463-A467 VanDerWaalsContact O-CB 3.25Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 2.96Å; V464-A467 PolarHBondContact O-N 3.46Å; W465-A467 VanDerWaalsContact C-N 3.35Å; W465-A467 PolarHBondContact O-N 3.4Å; A467-R469 VanDerWaalsContact C-N 3.33Å; A467-R469 PolarHBondContact O-N 3.44Å; A467-G470 PolarHBondContact O-N 2.99Å |
| 468 | S | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71 | -26.2 | -176.2 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | V464 W465 G470 H544 K546 | V464-S468 WeakPolarHBondContact O-CB 3.45Å; V464-S468 PolarHBondContact O-N 2.92Å; V464-S468 PolarHBondContact O-OG 2.99Å; W465-S468 PolarHBondContact O-N 3.4Å; W465-S468 PolarHBondContact O-OG 3.39Å; W465-S468 VanDerWaalsContact O-OG 3.05Å; S468-G470 PolarHBondContact O-N 3.47Å; S468-H544 PolarHBondContact OG-CD2 3.48Å; S468-K546 VanDerWaalsContact O-CD 3.25Å; S468-K546 WeakPolarHBondContact O-CD 3.48Å; S468-K546 VanDerWaalsContact O-CE 3.31Å; S468-K546 WeakPolarHBondContact O-CE 3.34Å; S468-K546 PolarHBondContact O-NZ 3.47Å; S468-K546 VanDerWaalsContact O-NZ 3.09Å |
| 469 | R | 97.9 | Very high | 92.8 | Very high | 34 Ų | 34 | 42 Ų | 42 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -48.4 | -35.2 | 168.7 | -170.7 | 175.2 | 67.7 | 177.3 | -0.2 | 112.4 | E436 W465 F466 A467 I471 H544 | E436-R469 IonicContact OE1-CZ 2.92Å; E436-R469 IonicContact OE1-NH1 2.93Å; E436-R469 PolarHBondContact OE1-NH1 3.01Å; E436-R469 IonicContact OE1-NH2 3.51Å; E436-R469 PolarHBondContact OE1-NH2 3.33Å; E436-R469 IonicContact OE2-NH2 2.76Å; W465-R469 PolarHBondContact O-N 2.92Å; F466-R469 WeakPolarHBondContact O-CB 3.31Å; A467-R469 VanDerWaalsContact C-N 3.33Å; A467-R469 PolarHBondContact O-N 3.44Å; R469-I471 HydrophobicContact CG-CB 4.27Å; R469-I471 HydrophobicContact CG-CD1 3.77Å; R469-I471 HydrophobicContact CG-CG1 3.94Å; R469-I471 PolarHBondContact O-N 3.33Å; R469-H544 PolarHBondContact N-CD2 2.91Å |
| 470 | G | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 65.3 | 22.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A467 S468 H484 S485 | A467-G470 PolarHBondContact O-N 2.99Å; S468-G470 PolarHBondContact O-N 3.47Å; G470-H484 WeakPolarHBondContact O-CA 3.26Å; G470-S485 PolarHBondContact O-N 2.96Å | ||
| 471 | I | 97.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 40% | 0.395 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 174.3 | -62.3 | 172.3 | 0 | 0 | 0 | 107.8 | R469 Y483 H484 | R469-I471 HydrophobicContact CG-CB 4.27Å; R469-I471 HydrophobicContact CG-CD1 3.77Å; R469-I471 HydrophobicContact CG-CG1 3.94Å; R469-I471 PolarHBondContact O-N 3.33Å; I471-Y483 WeakPolarHBondContact CA-O 3.25Å; I471-H484 HydrophobicContact CG1-CB 4.39Å; I471-H484 VanDerWaalsContact CG1-CD2 3.45Å; I471-H484 WeakPolarHBondContact CG1-CD2 3.46Å |
| 472 | G | 96.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | -148.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E429 Y483 | E429-G472 CarbonylContact O-C 3.56Å; E429-G472 VanDerWaalsContact O-CA 3.25Å; E429-G472 WeakPolarHBondContact O-CA 3.49Å; G472-Y483 PolarHBondContact N-O 2.91Å; G472-Y483 PolarHBondContact O-N 3.46Å |
| 473 | W | 95.4 | Very high | 92.2 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.4 | -174.2 | -54 | 92.3 | 0 | 0 | 0 | 111.5 | E429 V480 K481 | E429-W473 HydrophobicContact CB-CB 4.43Å; E429-W473 WeakPolarHBondContact CB-O 3.47Å; E429-W473 PolarHBondContact N-O 3.11Å; E429-W473 PolarHBondContact O-N 3.19Å; W473-V480 HydrophobicContact CB-CG1 3.74Å; W473-V480 HydrophobicContact CD2-CG1 4.18Å; W473-V480 HydrophobicContact CE3-CG1 3.82Å; W473-V480 HydrophobicContact CG-CG1 4.19Å; W473-K481 CarbonylContact C-O 3.59Å; W473-K481 WeakPolarHBondContact CA-O 3.48Å |
| 474 | L | 94.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.2 | 166.3 | -67 | 178.9 | 0 | 0 | 0 | 109 | N426 F427 V428 V480 K481 Y483 | N426-L474 HydrophobicContact CB-CD2 4.03Å; F427-L474 WeakPolarHBondContact O-CD2 3.32Å; V428-L474 HydrophobicContact CG2-CD2 4.06Å; L474-V480 WeakPolarHBondContact O-CA 3.49Å; L474-K481 PolarHBondContact N-O 3.4Å; L474-K481 PolarHBondContact O-N 3.33Å; L474-Y483 HydrophobicContact CD1-CD1 4.36Å; L474-Y483 HydrophobicContact CD1-CD2 3.39Å; L474-Y483 HydrophobicContact CD1-CE2 3.89Å; L474-Y483 HydrophobicContact CD1-CG 3.66Å; L474-Y483 HydrophobicContact CD2-CD1 4.41Å; L474-Y483 HydrophobicContact CD2-CG 4.35Å; L474-Y483 HydrophobicContact CG-CD1 4.3Å; L474-Y483 HydrophobicContact CG-CD2 4.05Å; L474-Y483 HydrophobicContact CG-CG 3.76Å |
| 475 | V | 87.3 | Confident | 92.1 | Very high | 91 Ų | 91 | 63.4 Ų | 63.4 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 105.9 | 172.5 | -175 | 0 | 0 | 0 | 0 | 107.9 | E429 | E429-V475 HydrophobicContact CG-CG2 4.39Å |
| 476 | A | 77.6 | Confident | 91.9 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 169.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D478 G479 | A476-D478 PolarHBondContact O-N 2.95Å; A476-G479 PolarHBondContact N-O 3.05Å; A476-G479 PolarHBondContact O-N 3.32Å |
| 477 | Q | 71.4 | Confident | 91.8 | Very high | 202 Ų | 202 | 65.4 Ų | 65.4 | 94% | 0.944 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.4 | 176.1 | -69.8 | 178 | -11.1 | 0 | 0 | 111.9 | G479 | Q477-G479 VanDerWaalsContact C-N 3.29Å; Q477-G479 PolarHBondContact O-N 3.35Å |
| 478 | D | 74.8 | Confident | 91.6 | Very high | 167 Ų | 167 | 68.7 Ų | 68.7 | 89% | 0.893 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.5 | -178.7 | -52.8 | -36.9 | 0 | 0 | 0 | 113.7 | A476 | A476-D478 PolarHBondContact O-N 2.95Š|
| 479 | G | 85.2 | Confident | 91.6 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.1 | -168.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A476 Q477 | A476-G479 PolarHBondContact N-O 3.05Å; A476-G479 PolarHBondContact O-N 3.32Å; Q477-G479 VanDerWaalsContact C-N 3.29Å; Q477-G479 PolarHBondContact O-N 3.35Å |
| 480 | V | 89.3 | Confident | 91.6 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.8 | -177.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | W473 L474 | W473-V480 HydrophobicContact CB-CG1 3.74Å; W473-V480 HydrophobicContact CD2-CG1 4.18Å; W473-V480 HydrophobicContact CE3-CG1 3.82Å; W473-V480 HydrophobicContact CG-CG1 4.19Å; L474-V480 WeakPolarHBondContact O-CA 3.49Å |
| 481 | K | 92.3 | Very high | 91.7 | Very high | 148 Ų | 148 | 67.1 Ų | 67.1 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.7 | -178.7 | -172.7 | -177.1 | 174.1 | -179.6 | 0 | 110.8 | W473 L474 | W473-K481 CarbonylContact C-O 3.59Å; W473-K481 WeakPolarHBondContact CA-O 3.48Å; L474-K481 PolarHBondContact N-O 3.4Å; L474-K481 PolarHBondContact O-N 3.33Å |
| 482 | S | 94.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 142.6 | 171.4 | 83.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 483 | Y | 95.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 64 Ų | 64 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.1 | -175 | -174.8 | -99.4 | 0 | 0 | 0 | 111.2 | D350 N426 V428 I471 G472 L474 | D350-Y483 PolarHBondContact OD1-OH 2.76Å; D350-Y483 WeakPolarHBondContact OD2-CE1 3.47Å; D350-Y483 PolarHBondContact OD2-OH 3.09Å; N426-Y483 PolarHBondContact ND2-OH 3.28Å; V428-Y483 HydrophobicContact CB-CD1 4.46Å; V428-Y483 HydrophobicContact CG1-CD1 4.06Å; V428-Y483 HydrophobicContact CG2-CD1 3.53Å; V428-Y483 HydrophobicContact CG2-CE1 3.66Å; I471-Y483 WeakPolarHBondContact CA-O 3.25Å; G472-Y483 PolarHBondContact N-O 2.91Å; G472-Y483 PolarHBondContact O-N 3.46Å; L474-Y483 HydrophobicContact CD1-CD1 4.36Å; L474-Y483 HydrophobicContact CD1-CD2 3.39Å; L474-Y483 HydrophobicContact CD1-CE2 3.89Å; L474-Y483 HydrophobicContact CD1-CG 3.66Å; L474-Y483 HydrophobicContact CD2-CD1 4.41Å; L474-Y483 HydrophobicContact CD2-CG 4.35Å; L474-Y483 HydrophobicContact CG-CD1 4.3Å; L474-Y483 HydrophobicContact CG-CD2 4.05Å; L474-Y483 HydrophobicContact CG-CG 3.76Å |
| 484 | H | 96.6 | Very high | 91.7 | Very high | 125 Ų | 125 | 59.8 Ų | 59.8 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 111.9 | 172.9 | -178.4 | -161.1 | 0 | 0 | 0 | 108.5 | G470 I471 S486 | G470-H484 WeakPolarHBondContact O-CA 3.26Å; I471-H484 HydrophobicContact CG1-CB 4.39Å; I471-H484 VanDerWaalsContact CG1-CD2 3.45Å; I471-H484 WeakPolarHBondContact CG1-CD2 3.46Å; H484-S486 PolarHBondContact O-N 3.14Å |
| 485 | S | 96.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | trans | -64.9 | 116.6 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | D350 G470 A487 K546 | D350-S485 WeakPolarHBondContact OD2-CA 3.22Å; D350-S485 WeakPolarHBondContact OD2-CB 3.35Å; D350-S485 PolarHBondContact OD2-OG 3.4Å; G470-S485 PolarHBondContact O-N 2.96Å; S485-A487 VanDerWaalsContact C-N 3.26Å; S485-A487 PolarHBondContact OG-N 3.07Å; S485-K546 PolarHBondContact O-NZ 3.11Å; S485-K546 VanDerWaalsContact O-NZ 3.17Å | ||
| 486 | S | 94 | Very high | 92.3 | Very high | 55 Ų | 55 | 54 Ų | 54 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | trans | -80.5 | -4.3 | 173.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | K319 A320 H484 K488 | K319-S486 WeakPolarHBondContact CB-OG 3.25Å; A320-S486 PolarHBondContact O-OG 3.3Å; H484-S486 PolarHBondContact O-N 3.14Å; S486-K488 PolarHBondContact O-N 2.82Å | ||
| 487 | A | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -60.2 | 121.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A320 A323 S485 K546 | A320-A487 WeakPolarHBondContact O-CA 3.47Å; A320-A487 PolarHBondContact O-N 3.07Å; A323-A487 HydrophobicContact CB-CB 3.66Å; S485-A487 VanDerWaalsContact C-N 3.26Å; S485-A487 PolarHBondContact OG-N 3.07Å; A487-K546 VanDerWaalsContact O-CD 3.23Å; A487-K546 WeakPolarHBondContact O-CD 3.04Å; A487-K546 WeakPolarHBondContact O-CE 3.33Å | ||
| 488 | K | 95.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 32% | 0.317 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -83.9 | -16.3 | 174.8 | -65.5 | -179.7 | 178.3 | -176.6 | 0 | 112.2 | N33 L54 H55 L56 S486 K546 E547 | N33-K488 PolarHBondContact OD1-NZ 2.65Å; L54-K488 HydrophobicContact CD1-CD 3.94Å; L54-K488 HydrophobicContact CD1-CG 4.3Å; H55-K488 PolarHBondContact O-NZ 3.03Å; L56-K488 HydrophobicContact CD2-CB 3.74Å; L56-K488 HydrophobicContact CD2-CD 4.18Å; S486-K488 PolarHBondContact O-N 2.82Å; K488-K546 CarbonylContact O-C 3.53Å; K488-K546 VanDerWaalsContact O-CA 3.29Å; K488-K546 WeakPolarHBondContact O-CA 3.42Å; K488-E547 PolarHBondContact O-N 2.92Å |
| 489 | V | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.7 | 178.4 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | L56 L301 N321 A323 L491 R549 | L56-V489 HydrophobicContact CD2-CG2 4.15Å; L301-V489 HydrophobicContact CD1-CB 4.43Å; L301-V489 HydrophobicContact CD1-CG2 4.27Å; L301-V489 HydrophobicContact CD2-CG2 3.55Å; N321-V489 PolarHBondContact O-N 3.05Å; A323-V489 PolarHBondContact N-O 3.02Å; V489-L491 HydrophobicContact CG1-CD2 4.19Å; V489-R549 HydrophobicContact CG1-CG 3.98Å |
| 490 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.8 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | A323 L325 T492 I541 K546 E547 A548 R549 | A323-V490 HydrophobicContact CB-CG2 4.39Å; A323-V490 CarbonylContact O-C 3.6Å; A323-V490 VanDerWaalsContact O-CA 3.32Å; A323-V490 WeakPolarHBondContact O-CA 3.44Å; L325-V490 HydrophobicContact CD1-CG1 4.4Å; L325-V490 HydrophobicContact CD2-CG1 3.78Å; L325-V490 HydrophobicContact CG-CG1 3.58Å; V490-T492 HydrophobicContact CG1-CG2 4.5Å; V490-I541 HydrophobicContact CB-CG2 4.46Å; V490-I541 HydrophobicContact CG2-CG2 4.4Å; V490-K546 HydrophobicContact CG2-CB 4.03Å; V490-K546 HydrophobicContact CG2-CD 3.79Å; V490-E547 PolarHBondContact N-O 3.4Å; V490-A548 CarbonylContact O-C 3.56Å; V490-A548 WeakPolarHBondContact O-CA 3.3Å; V490-R549 PolarHBondContact O-N 3.08Å |
| 491 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.3 | 171.4 | -53.9 | -175.6 | 0 | 0 | 0 | 109.9 | V294 R297 V298 V322 A323 I324 L325 I335 A339 V489 R549 | V294-L491 HydrophobicContact CG1-CD1 4.45Å; R297-L491 HydrophobicContact CB-CD2 4.14Å; V298-L491 HydrophobicContact CG1-CD1 4.03Å; V298-L491 HydrophobicContact CG1-CD2 4.35Å; V322-L491 HydrophobicContact CG1-CD1 4.05Å; V322-L491 HydrophobicContact CG1-CG 3.9Å; A323-L491 PolarHBondContact O-N 3.48Å; I324-L491 HydrophobicContact CG1-CB 4.24Å; I324-L491 HydrophobicContact CG1-CD1 4.38Å; L325-L491 PolarHBondContact N-O 3.47Å; I335-L491 HydrophobicContact CG2-CB 3.78Å; I335-L491 HydrophobicContact CG2-CD1 3.72Å; I335-L491 HydrophobicContact CG2-CG 4.41Å; A339-L491 HydrophobicContact CB-CD1 3.98Å; V489-L491 HydrophobicContact CG1-CD2 4.19Å; L491-R549 HydrophobicContact CD2-CB 3.85Å |
| 492 | T | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -126.3 | 147.9 | 179.8 | 77.4 | 0 | 0 | 0 | 0 | 111.3 | L325 I335 V490 I494 I541 A548 R549 F550 P551 | L325-T492 HydrophobicContact CD1-CG2 3.91Å; L325-T492 HydrophobicContact CG-CG2 4.33Å; I335-T492 WeakPolarHBondContact CD1-O 3.32Å; V490-T492 HydrophobicContact CG1-CG2 4.5Å; T492-I494 PolarHBondContact O-N 2.86Å; T492-I541 HydrophobicContact CG2-CD1 4.22Å; T492-A548 HydrophobicContact CG2-CB 4.37Å; T492-R549 PolarHBondContact N-O 3.13Å; T492-F550 WeakPolarHBondContact OG1-CD1 3.41Å; T492-P551 WeakPolarHBondContact O-CD 3.34Å | ||
| 493 | G | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 19.7 Ų | 19.7 | 18% | 0.175 | 10% | 0.1 | C | C | . | . | trans | -81.9 | 8.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A496 | G493-A496 WeakPolarHBondContact O-CB 3.39Å; G493-A496 PolarHBondContact O-N 3.29Å | ||
| 494 | I | 95.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 21.8 Ų | 21.8 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 138.7 | -177.9 | -65.5 | 163.7 | 0 | 0 | 0 | 109.6 | T492 L534 D537 F550 L553 | T492-I494 PolarHBondContact O-N 2.86Å; I494-L534 HydrophobicContact CG2-CD2 3.89Å; I494-D537 HydrophobicContact CD1-CB 4.19Å; I494-D537 WeakPolarHBondContact CD1-OD2 2.93Å; I494-F550 HydrophobicContact CB-CD1 4.11Å; I494-F550 HydrophobicContact CB-CE1 4.4Å; I494-F550 HydrophobicContact CD1-CE1 4.02Å; I494-F550 HydrophobicContact CG2-CD1 4.44Å; I494-L553 HydrophobicContact CG2-CD1 4.49Å |
| 495 | G | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -20.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E498 Q499 | G495-E498 VanDerWaalsContact C-OE2 3.32Å; G495-E498 WeakPolarHBondContact CA-OE2 3.43Å; G495-E498 PolarHBondContact N-OE2 3.13Å; G495-E498 VanDerWaalsContact N-OE2 3.13Å; G495-Q499 WeakPolarHBondContact O-CB 3.44Å; G495-Q499 WeakPolarHBondContact O-CG 3.3Å; G495-Q499 PolarHBondContact O-N 2.97Å; G495-Q499 PolarHBondContact O-NE2 3.18Å |
| 496 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D331 G493 L500 F552 L584 | D331-A496 HydrophobicContact CB-CB 4.21Å; G493-A496 WeakPolarHBondContact O-CB 3.39Å; G493-A496 PolarHBondContact O-N 3.29Å; A496-L500 VanDerWaalsContact O-CB 3.22Å; A496-L500 WeakPolarHBondContact O-CB 3.19Å; A496-L500 PolarHBondContact O-N 3.43Å; A496-F552 HydrophobicContact CB-CD1 3.96Å; A496-F552 HydrophobicContact CB-CD2 3.77Å; A496-F552 HydrophobicContact CB-CE1 4.01Å; A496-F552 HydrophobicContact CB-CE2 3.82Å; A496-F552 HydrophobicContact CB-CG 3.84Å; A496-F552 HydrophobicContact CB-CZ 3.94Å; A496-L584 HydrophobicContact CB-CD2 4.5Å |
| 497 | D | 97.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | -178.4 | -76.9 | -77 | 0 | 0 | 0 | 113.2 | Q499 A501 G502 Y503 H506 K581 K601 | D497-Q499 VanDerWaalsContact C-N 3.31Å; D497-Q499 PolarHBondContact O-N 3.4Å; D497-A501 PolarHBondContact O-N 2.93Å; D497-G502 PolarHBondContact O-N 3.47Å; D497-G502 VanDerWaalsContact OD1-CA 3.32Å; D497-G502 WeakPolarHBondContact OD1-CA 2.86Å; D497-Y503 HydrophobicContact CB-CD1 4.37Å; D497-Y503 HydrophobicContact CB-CD2 4.02Å; D497-Y503 HydrophobicContact CB-CE1 3.94Å; D497-Y503 HydrophobicContact CB-CE2 3.55Å; D497-Y503 HydrophobicContact CB-CG 4.39Å; D497-Y503 VanDerWaalsContact CB-CZ 3.49Å; D497-H506 PolarHBondContact O-CE1 3.17Å; D497-H506 VanDerWaalsContact O-CE1 3.32Å; D497-K581 WeakPolarHBondContact OD1-CE 3.15Å; D497-K581 IonicContact OD1-NZ 2.72Å; D497-K581 PolarHBondContact OD1-NZ 2.61Å; D497-K581 IonicContact OD2-NZ 3.21Å; D497-K581 PolarHBondContact OD2-NZ 3.4Å; D497-K581 VanDerWaalsContact OD2-NZ 3.13Å; D497-K601 VanDerWaalsContact OD1-CD 3.24Å; D497-K601 WeakPolarHBondContact OD1-CD 3.46Å; D497-K601 WeakPolarHBondContact OD1-CE 3.46Å; D497-K601 IonicContact OD1-NZ 3.61Å; D497-K601 PolarHBondContact OD1-NZ 3.13Å; D497-K601 IonicContact OD2-NZ 3.37Å; D497-K601 PolarHBondContact OD2-NZ 3.04Å |
| 498 | E | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -36.5 | -179.1 | -66 | 73.2 | -160.2 | 0 | 0 | 111.4 | G495 Y503 I522 E525 L526 I529 | G495-E498 VanDerWaalsContact C-OE2 3.32Å; G495-E498 WeakPolarHBondContact CA-OE2 3.43Å; G495-E498 PolarHBondContact N-OE2 3.13Å; G495-E498 VanDerWaalsContact N-OE2 3.13Å; E498-Y503 HydrophobicContact CG-CE2 4.13Å; E498-Y503 WeakPolarHBondContact OE1-CE2 3.02Å; E498-Y503 PolarHBondContact OE1-OH 3Å; E498-I522 WeakPolarHBondContact O-CD1 3.39Å; E498-I522 WeakPolarHBondContact O-CG2 3.47Å; E498-E525 HydrophobicContact CB-CB 4.25Å; E498-E525 HydrophobicContact CG-CB 4.18Å; E498-L526 HydrophobicContact CB-CD2 3.92Å; E498-I529 HydrophobicContact CG-CD1 4.06Å; E498-I529 HydrophobicContact CG-CG1 4.49Å |
| 499 | Q | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -91.6 | -30.5 | -176.6 | -66.7 | 176.3 | 88.7 | 0 | 0 | 113.9 | G495 D497 L526 F552 L561 | G495-Q499 WeakPolarHBondContact O-CB 3.44Å; G495-Q499 WeakPolarHBondContact O-CG 3.3Å; G495-Q499 PolarHBondContact O-N 2.97Å; G495-Q499 PolarHBondContact O-NE2 3.18Å; D497-Q499 VanDerWaalsContact C-N 3.31Å; D497-Q499 PolarHBondContact O-N 3.4Å; Q499-L526 HydrophobicContact CG-CD2 3.58Å; Q499-F552 PolarHBondContact NE2-O 2.99Å; Q499-L561 HydrophobicContact CB-CD1 3.9Å; Q499-L561 HydrophobicContact CG-CD1 4.47Å |
| 500 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 23.7 | -170.8 | -59.2 | 170.5 | 0 | 0 | 0 | 113.1 | F286 A496 G502 L561 K569 K581 L583 L584 | F286-L500 HydrophobicContact CZ-CD1 4.34Å; A496-L500 VanDerWaalsContact O-CB 3.22Å; A496-L500 WeakPolarHBondContact O-CB 3.19Å; A496-L500 PolarHBondContact O-N 3.43Å; L500-G502 PolarHBondContact O-N 2.99Å; L500-L561 HydrophobicContact CD2-CD1 4.19Å; L500-L561 HydrophobicContact CD2-CD2 3.66Å; L500-L561 HydrophobicContact CG-CD1 4.42Å; L500-K569 HydrophobicContact CD2-CB 4.06Å; L500-K569 HydrophobicContact CD2-CG 4.35Å; L500-K581 HydrophobicContact CB-CB 4.08Å; L500-K581 HydrophobicContact CB-CG 3.99Å; L500-K581 VanDerWaalsContact O-CA 3.25Å; L500-K581 WeakPolarHBondContact O-CA 3.24Å; L500-K581 PolarHBondContact O-N 3.02Å; L500-L583 HydrophobicContact CD2-CB 4.46Å; L500-L583 HydrophobicContact CD2-CD2 4.39Å; L500-L584 HydrophobicContact CD1-CB 3.73Å; L500-L584 HydrophobicContact CD1-CD2 4.09Å; L500-L584 HydrophobicContact CD1-CG 4.45Å |
| 501 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D497 H506 L518 I522 A570 L572 | D497-A501 PolarHBondContact O-N 2.93Å; A501-H506 WeakPolarHBondContact CA-ND1 2.88Å; A501-H506 HydrophobicContact CB-CB 4.19Å; A501-L518 HydrophobicContact CB-CD1 4.08Å; A501-L518 HydrophobicContact CB-CD2 4.48Å; A501-I522 HydrophobicContact CB-CD1 4.13Å; A501-A570 HydrophobicContact CB-CB 3.69Å; A501-L572 HydrophobicContact CB-CD1 4.43Å |
| 502 | G | 96.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -78.1 | -31.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D497 L500 H506 K581 K601 | D497-G502 PolarHBondContact O-N 3.47Å; D497-G502 VanDerWaalsContact OD1-CA 3.32Å; D497-G502 WeakPolarHBondContact OD1-CA 2.86Å; L500-G502 PolarHBondContact O-N 2.99Å; G502-H506 PolarHBondContact N-ND1 3.33Å; G502-K581 VanDerWaalsContact CA-CE 3.49Å; G502-K601 WeakPolarHBondContact O-CD 3.23Å | ||
| 503 | Y | 94.7 | Very high | 96.1 | Very high | 46 Ų | 46 | 42 Ų | 42 | 18% | 0.18 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.6 | 145.5 | -176.8 | -62.6 | -62.9 | 0 | 0 | 0 | 113.5 | D497 E498 R505 H506 K601 | D497-Y503 HydrophobicContact CB-CD1 4.37Å; D497-Y503 HydrophobicContact CB-CD2 4.02Å; D497-Y503 HydrophobicContact CB-CE1 3.94Å; D497-Y503 HydrophobicContact CB-CE2 3.55Å; D497-Y503 HydrophobicContact CB-CG 4.39Å; D497-Y503 VanDerWaalsContact CB-CZ 3.49Å; E498-Y503 HydrophobicContact CG-CE2 4.13Å; E498-Y503 WeakPolarHBondContact OE1-CE2 3.02Å; E498-Y503 PolarHBondContact OE1-OH 3Å; Y503-R505 PolarHBondContact O-N 2.99Å; Y503-H506 AromaticContact CD2-CE1 3.36Å; Y503-H506 WeakPolarHBondContact CD2-CE1 3.22Å; Y503-H506 AromaticContact CD2-NE2 3.67Å; Y503-H506 AromaticContact CG-CE1 3.95Å; Y503-H506 PolarHBondContact N-ND1 3.42Å; Y503-H506 VanDerWaalsContact O-CB 3.23Å; Y503-H506 WeakPolarHBondContact O-CB 3.36Å; Y503-H506 PolarHBondContact O-N 3.41Å; Y503-K601 HydrophobicContact CD1-CD 4.32Å |
| 504 | S | 92.2 | Very high | 96 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -57.6 | -33.2 | 175.7 | 53.1 | 0 | 0 | 0 | 0 | 113 | H506 R507 V508 | S504-H506 PolarHBondContact O-N 3.38Å; S504-R507 WeakPolarHBondContact O-CB 3.34Å; S504-R507 PolarHBondContact O-N 3.31Å; S504-R507 VanDerWaalsContact O-N 3.17Å; S504-V508 PolarHBondContact O-N 2.9Å |
| 505 | R | 93.4 | Very high | 96 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -29.4 | 175.1 | 70.3 | -176 | 168 | -148.7 | -7.4 | 113.2 | Y503 R507 V508 R509 E521 E525 R528 | Y503-R505 PolarHBondContact O-N 2.99Å; R505-R507 VanDerWaalsContact C-N 3.33Å; R505-V508 PolarHBondContact O-N 3.08Å; R505-R509 WeakPolarHBondContact O-CG 3.46Å; R505-R509 PolarHBondContact O-N 2.87Å; R505-E521 WeakPolarHBondContact CD-OE1 3.44Å; R505-E521 IonicContact NE-OE1 2.65Å; R505-E525 IonicContact CZ-OE1 3.31Å; R505-E525 IonicContact CZ-OE2 3.78Å; R505-E525 IonicContact NE-OE1 3.96Å; R505-E525 PolarHBondContact NE-OE1 3.23Å; R505-E525 IonicContact NH1-OE1 2.72Å; R505-E525 PolarHBondContact NH1-OE1 3.38Å; R505-E525 IonicContact NH1-OE2 2.61Å; R505-E525 IonicContact NH2-OE1 3.48Å; R505-E525 PolarHBondContact NH2-OE1 3.38Å; R505-E525 IonicContact NH2-OE2 3.54Å; R505-E525 PolarHBondContact NH2-OE2 3.09Å; R505-R528 VanDerWaalsContact NH1-NH2 3.13Å |
| 506 | H | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.1 | -58.8 | 152.4 | 0 | 0 | 0 | 111 | D497 A501 G502 Y503 S504 R509 F510 L518 L572 | D497-H506 PolarHBondContact O-CE1 3.17Å; D497-H506 VanDerWaalsContact O-CE1 3.32Å; A501-H506 WeakPolarHBondContact CA-ND1 2.88Å; A501-H506 HydrophobicContact CB-CB 4.19Å; G502-H506 PolarHBondContact N-ND1 3.33Å; Y503-H506 AromaticContact CD2-CE1 3.36Å; Y503-H506 WeakPolarHBondContact CD2-CE1 3.22Å; Y503-H506 AromaticContact CD2-NE2 3.67Å; Y503-H506 AromaticContact CG-CE1 3.95Å; Y503-H506 PolarHBondContact N-ND1 3.42Å; Y503-H506 VanDerWaalsContact O-CB 3.23Å; Y503-H506 WeakPolarHBondContact O-CB 3.36Å; Y503-H506 PolarHBondContact O-N 3.41Å; S504-H506 PolarHBondContact O-N 3.38Å; H506-R509 PolarHBondContact O-N 2.93Å; H506-F510 WeakPolarHBondContact O-CB 3.18Å; H506-F510 PolarHBondContact O-N 3.32Å; H506-L518 HydrophobicContact CB-CD1 3.65Å; H506-L572 HydrophobicContact CB-CD1 4.3Å |
| 507 | R | 94.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 48 Ų | 48 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.3 | -175.9 | 177.2 | -68.8 | -91.2 | 8.3 | 111.6 | S504 R505 R509 F510 Q511 L572 L574 P575 E580 | S504-R507 WeakPolarHBondContact O-CB 3.34Å; S504-R507 PolarHBondContact O-N 3.31Å; S504-R507 VanDerWaalsContact O-N 3.17Å; R505-R507 VanDerWaalsContact C-N 3.33Å; R507-R509 VanDerWaalsContact C-N 3.35Å; R507-R509 PolarHBondContact O-N 3.36Å; R507-F510 PolarHBondContact O-N 3.06Å; R507-Q511 HydrophobicContact CG-CG 4.43Å; R507-Q511 WeakPolarHBondContact O-CB 3.5Å; R507-Q511 VanDerWaalsContact O-CG 3.26Å; R507-Q511 WeakPolarHBondContact O-CG 3.41Å; R507-Q511 PolarHBondContact O-N 3.46Å; R507-L572 HydrophobicContact CB-CD1 4.46Å; R507-L572 PolarHBondContact NH1-O 3.15Å; R507-L574 PolarHBondContact NH1-O 3.27Å; R507-L574 PolarHBondContact NH2-O 3.39Å; R507-P575 PolarHBondContact NH2-O 3.46Å; R507-E580 IonicContact CZ-OE1 2.82Å; R507-E580 IonicContact NE-OE1 2.82Å; R507-E580 PolarHBondContact NE-OE1 2.81Å; R507-E580 IonicContact NH2-OE1 2.79Å; R507-E580 PolarHBondContact NH2-OE1 3.3Å; R507-E580 IonicContact NH2-OE2 3.22Å; R507-E580 PolarHBondContact NH2-OE2 3.11Å; R507-E580 VanDerWaalsContact NH2-OE2 3.16Å |
| 508 | V | 95.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -47 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | S504 R505 F510 Q511 S512 | S504-V508 PolarHBondContact O-N 2.9Å; R505-V508 PolarHBondContact O-N 3.08Å; V508-F510 PolarHBondContact O-N 3.15Å; V508-Q511 PolarHBondContact O-N 3.16Å; V508-S512 PolarHBondContact O-N 3.41Å; V508-S512 PolarHBondContact O-OG 3.26Å; V508-S512 VanDerWaalsContact O-OG 3.14Å |
| 509 | R | 96.1 | Very high | 95.8 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.5 | -73.4 | -63.8 | -165.4 | -165.6 | -2.2 | 112.8 | R505 H506 R507 S512 H513 E521 | R505-R509 WeakPolarHBondContact O-CG 3.46Å; R505-R509 PolarHBondContact O-N 2.87Å; H506-R509 PolarHBondContact O-N 2.93Å; R507-R509 VanDerWaalsContact C-N 3.35Å; R507-R509 PolarHBondContact O-N 3.36Å; R509-S512 PolarHBondContact O-N 3.33Å; R509-H513 PolarHBondContact O-N 3.49Å; R509-E521 HydrophobicContact CB-CB 4.39Å; R509-E521 HydrophobicContact CG-CB 4.05Å; R509-E521 HydrophobicContact CG-CG 3.89Å; R509-E521 WeakPolarHBondContact CG-OE2 3.22Å; R509-E521 IonicContact CZ-OE2 3.63Å; R509-E521 IonicContact NE-OE2 3.63Å; R509-E521 PolarHBondContact NE-OE2 2.81Å; R509-E521 IonicContact NH2-OE2 3.86Å |
| 510 | F | 96.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 17% | 0.171 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.2 | 172.7 | -99 | 0 | 0 | 0 | 112.3 | H506 R507 V508 S512 G514 L515 L518 L572 T573 | H506-F510 WeakPolarHBondContact O-CB 3.18Å; H506-F510 PolarHBondContact O-N 3.32Å; R507-F510 PolarHBondContact O-N 3.06Å; V508-F510 PolarHBondContact O-N 3.15Å; F510-S512 VanDerWaalsContact C-N 3.29Å; F510-S512 PolarHBondContact O-N 3.26Å; F510-G514 WeakPolarHBondContact O-CA 3.49Å; F510-G514 PolarHBondContact O-N 2.7Å; F510-L515 HydrophobicContact CD2-CD2 4.05Å; F510-L515 HydrophobicContact CE2-CD2 3.66Å; F510-L515 HydrophobicContact CE2-CG 4.07Å; F510-L518 HydrophobicContact CB-CB 4.4Å; F510-L518 HydrophobicContact CD2-CD2 4.41Å; F510-L572 HydrophobicContact CB-CB 4.28Å; F510-L572 HydrophobicContact CB-CD1 3.78Å; F510-L572 HydrophobicContact CD1-CB 3.54Å; F510-L572 HydrophobicContact CE1-CB 3.96Å; F510-L572 HydrophobicContact CG-CB 3.85Å; F510-L572 HydrophobicContact CG-CD1 4.17Å; F510-T573 HydrophobicContact CE1-CG2 3.94Å; F510-T573 HydrophobicContact CZ-CG2 3.76Å |
| 511 | Q | 95.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.6 | -36.2 | 177.4 | -74.1 | 170.5 | -28.6 | 0 | 0 | 112.2 | R507 V508 | R507-Q511 HydrophobicContact CG-CG 4.43Å; R507-Q511 WeakPolarHBondContact O-CB 3.5Å; R507-Q511 VanDerWaalsContact O-CG 3.26Å; R507-Q511 WeakPolarHBondContact O-CG 3.41Å; R507-Q511 PolarHBondContact O-N 3.46Å; V508-Q511 PolarHBondContact O-N 3.16Å |
| 512 | S | 96 | Very high | 95.5 | Very high | 81 Ų | 81 | 54 Ų | 54 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -83.1 | -31.4 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | V508 R509 F510 | V508-S512 PolarHBondContact O-N 3.41Å; V508-S512 PolarHBondContact O-OG 3.26Å; V508-S512 VanDerWaalsContact O-OG 3.14Å; R509-S512 PolarHBondContact O-N 3.33Å; F510-S512 VanDerWaalsContact C-N 3.29Å; F510-S512 PolarHBondContact O-N 3.26Å |
| 513 | H | 95.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 59 Ų | 59 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -140.8 | 13.7 | -166.7 | -57 | 94.5 | 0 | 0 | 0 | 113.9 | R509 G517 | R509-H513 PolarHBondContact O-N 3.49Å; H513-G517 PolarHBondContact O-N 3.13Å |
| 514 | G | 94.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | 61.3 | -156.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F510 E516 G517 L518 | F510-G514 WeakPolarHBondContact O-CA 3.49Å; F510-G514 PolarHBondContact O-N 2.7Å; G514-E516 VanDerWaalsContact C-N 3.31Å; G514-E516 PolarHBondContact O-N 3.23Å; G514-G517 PolarHBondContact O-N 2.69Å; G514-L518 PolarHBondContact O-N 2.68Å |
| 515 | L | 95.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -32.7 | -179.1 | -64.9 | 173 | 0 | 0 | 0 | 112.8 | L248 P249 L253 F510 L518 N519 I566 W567 | L248-L515 HydrophobicContact CD2-CB 3.9Å; P249-L515 HydrophobicContact CG-CD1 3.9Å; L253-L515 HydrophobicContact CD1-CD1 3.88Å; F510-L515 HydrophobicContact CD2-CD2 4.05Å; F510-L515 HydrophobicContact CE2-CD2 3.66Å; F510-L515 HydrophobicContact CE2-CG 4.07Å; L515-L518 PolarHBondContact O-N 2.59Å; L515-N519 WeakPolarHBondContact O-CB 3.41Å; L515-N519 PolarHBondContact O-N 2.67Å; L515-I566 HydrophobicContact CB-CG2 4.42Å; L515-I566 HydrophobicContact CD2-CG2 3.94Å; L515-W567 HydrophobicContact CD1-CE3 4.01Å |
| 516 | E | 95.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 178 | -169.1 | -168.8 | 158.6 | 0 | 0 | 111.3 | L248 G514 L518 N519 K520 | L248-E516 HydrophobicContact CD1-CB 4.17Å; L248-E516 HydrophobicContact CD1-CG 4.41Å; L248-E516 HydrophobicContact CD2-CB 4.28Å; G514-E516 VanDerWaalsContact C-N 3.31Å; G514-E516 PolarHBondContact O-N 3.23Å; E516-L518 VanDerWaalsContact C-N 3.31Å; E516-L518 PolarHBondContact O-N 2.97Å; E516-N519 PolarHBondContact O-N 3.13Å; E516-K520 WeakPolarHBondContact O-CG 3.22Å; E516-K520 PolarHBondContact O-N 2.87Å; E516-K520 VanDerWaalsContact OE1-CE 3.27Å; E516-K520 WeakPolarHBondContact OE1-CE 3.45Å; E516-K520 IonicContact OE1-NZ 3.04Å; E516-K520 PolarHBondContact OE1-NZ 2.99Å |
| 517 | G | 95.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | H513 G514 E521 | H513-G517 PolarHBondContact O-N 3.13Å; G514-G517 PolarHBondContact O-N 2.69Å; G517-E521 WeakPolarHBondContact O-CB 3.36Å; G517-E521 PolarHBondContact O-N 3.2Å |
| 518 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 172.9 | 178.9 | 59.5 | 0 | 0 | 0 | 111.3 | A501 H506 F510 G514 L515 E516 K520 E521 I522 I566 L572 | A501-L518 HydrophobicContact CB-CD1 4.08Å; A501-L518 HydrophobicContact CB-CD2 4.48Å; H506-L518 HydrophobicContact CB-CD1 3.65Å; F510-L518 HydrophobicContact CB-CB 4.4Å; F510-L518 HydrophobicContact CD2-CD2 4.41Å; G514-L518 PolarHBondContact O-N 2.68Å; L515-L518 PolarHBondContact O-N 2.59Å; E516-L518 VanDerWaalsContact C-N 3.31Å; E516-L518 PolarHBondContact O-N 2.97Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 2.67Å; L518-E521 PolarHBondContact O-N 3.27Å; L518-E521 VanDerWaalsContact O-N 3.16Å; L518-I522 HydrophobicContact CD1-CD1 4.45Å; L518-I522 HydrophobicContact CD1-CG1 4.13Å; L518-I522 HydrophobicContact CG-CG1 4.41Å; L518-I522 VanDerWaalsContact O-CG1 3.31Å; L518-I522 WeakPolarHBondContact O-CG1 3.41Å; L518-I522 PolarHBondContact O-N 3.15Å; L518-I566 HydrophobicContact CD2-CD1 4.29Å; L518-I566 HydrophobicContact CD2-CG1 3.51Å; L518-I566 HydrophobicContact CG-CD1 4.45Å; L518-I566 HydrophobicContact CG-CG1 3.87Å; L518-L572 HydrophobicContact CD1-CD1 4.03Å; L518-L572 HydrophobicContact CD2-CD1 3.77Å; L518-L572 HydrophobicContact CD2-CG 4.48Å |
| 519 | N | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -46.7 | 176.9 | -86.2 | -12 | 0 | 0 | 0 | 111.9 | M246 L515 E516 E521 I522 M523 I566 | M246-N519 HydrophobicContact CE-CB 3.66Å; M246-N519 PolarHBondContact O-ND2 2.78Å; M246-N519 HydrophobicContact SD-CB 3.8Å; L515-N519 WeakPolarHBondContact O-CB 3.41Å; L515-N519 PolarHBondContact O-N 2.67Å; E516-N519 PolarHBondContact O-N 3.13Å; N519-E521 VanDerWaalsContact C-N 3.34Å; N519-E521 PolarHBondContact O-N 2.81Å; N519-I522 PolarHBondContact O-N 3.4Å; N519-M523 WeakPolarHBondContact O-CB 3.49Å; N519-M523 PolarHBondContact O-N 3.02Å; N519-I566 WeakPolarHBondContact OD1-CB 3.36Å; N519-I566 VanDerWaalsContact OD1-CG2 3.22Å; N519-I566 WeakPolarHBondContact OD1-CG2 3.41Å |
| 520 | K | 96 | Very high | 94.7 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.6 | -71.7 | 176.8 | -174.9 | 169 | 0 | 112.4 | E516 L518 M524 | E516-K520 WeakPolarHBondContact O-CG 3.22Å; E516-K520 PolarHBondContact O-N 2.87Å; E516-K520 VanDerWaalsContact OE1-CE 3.27Å; E516-K520 WeakPolarHBondContact OE1-CE 3.45Å; E516-K520 IonicContact OE1-NZ 3.04Å; E516-K520 PolarHBondContact OE1-NZ 2.99Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 2.67Å; K520-M524 WeakPolarHBondContact O-CB 3.46Å; K520-M524 PolarHBondContact O-N 2.54Å |
| 521 | E | 96.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 177.6 | -171.1 | 76.2 | -167.2 | 0 | 0 | 111.5 | R505 R509 G517 L518 N519 M524 E525 | R505-E521 WeakPolarHBondContact CD-OE1 3.44Å; R505-E521 IonicContact NE-OE1 2.65Å; R509-E521 HydrophobicContact CB-CB 4.39Å; R509-E521 HydrophobicContact CG-CB 4.05Å; R509-E521 HydrophobicContact CG-CG 3.89Å; R509-E521 WeakPolarHBondContact CG-OE2 3.22Å; R509-E521 IonicContact CZ-OE2 3.63Å; R509-E521 IonicContact NE-OE2 3.63Å; R509-E521 PolarHBondContact NE-OE2 2.81Å; R509-E521 IonicContact NH2-OE2 3.86Å; G517-E521 WeakPolarHBondContact O-CB 3.36Å; G517-E521 PolarHBondContact O-N 3.2Å; L518-E521 PolarHBondContact O-N 3.27Å; L518-E521 VanDerWaalsContact O-N 3.16Å; N519-E521 VanDerWaalsContact C-N 3.34Å; N519-E521 PolarHBondContact O-N 2.81Å; E521-M524 HydrophobicContact CG-CE 4.34Å; E521-M524 PolarHBondContact O-N 3.41Å; E521-M524 VanDerWaalsContact OE1-CE 3.25Å; E521-M524 WeakPolarHBondContact OE1-CE 3.28Å; E521-E525 WeakPolarHBondContact O-CG 3.4Å; E521-E525 PolarHBondContact O-N 2.88Å |
| 522 | I | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 176.3 | -65 | -69.3 | 0 | 0 | 0 | 111 | L244 E498 A501 L518 N519 M524 E525 L526 I566 | L244-I522 HydrophobicContact CD1-CG2 4.47Å; L244-I522 HydrophobicContact CD2-CG2 3.93Å; E498-I522 WeakPolarHBondContact O-CD1 3.39Å; E498-I522 WeakPolarHBondContact O-CG2 3.47Å; A501-I522 HydrophobicContact CB-CD1 4.13Å; L518-I522 HydrophobicContact CD1-CD1 4.45Å; L518-I522 HydrophobicContact CD1-CG1 4.13Å; L518-I522 HydrophobicContact CG-CG1 4.41Å; L518-I522 VanDerWaalsContact O-CG1 3.31Å; L518-I522 WeakPolarHBondContact O-CG1 3.41Å; L518-I522 PolarHBondContact O-N 3.15Å; N519-I522 PolarHBondContact O-N 3.4Å; I522-M524 VanDerWaalsContact C-N 3.28Å; I522-M524 PolarHBondContact O-N 3.11Å; I522-E525 PolarHBondContact O-N 3.31Å; I522-E525 VanDerWaalsContact O-N 3.17Å; I522-L526 HydrophobicContact CG2-CD1 4.1Å; I522-L526 HydrophobicContact CG2-CG 4.44Å; I522-L526 WeakPolarHBondContact O-CG 3.41Å; I522-L526 PolarHBondContact O-N 2.98Å; I522-I566 HydrophobicContact CG1-CD1 4.18Å |
| 523 | M | 94.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 53% | 0.532 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.6 | -43.2 | 176 | -177.8 | -179.9 | 167.2 | 0 | 0 | 111.7 | L244 M246 N519 G527 | L244-M523 HydrophobicContact CD2-CB 3.97Å; M246-M523 HydrophobicContact CE-CB 4.41Å; M246-M523 HydrophobicContact CE-SD 4.09Å; N519-M523 WeakPolarHBondContact O-CB 3.49Å; N519-M523 PolarHBondContact O-N 3.02Å; M523-G527 PolarHBondContact O-N 2.86Å |
| 524 | M | 93.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 177.1 | -179.9 | -82.6 | -58 | 0 | 0 | 112.3 | K520 E521 I522 G527 R528 | K520-M524 WeakPolarHBondContact O-CB 3.46Å; K520-M524 PolarHBondContact O-N 2.54Å; E521-M524 HydrophobicContact CG-CE 4.34Å; E521-M524 PolarHBondContact O-N 3.41Å; E521-M524 VanDerWaalsContact OE1-CE 3.25Å; E521-M524 WeakPolarHBondContact OE1-CE 3.28Å; I522-M524 VanDerWaalsContact C-N 3.28Å; I522-M524 PolarHBondContact O-N 3.11Å; M524-G527 PolarHBondContact O-N 3.01Å; M524-R528 WeakPolarHBondContact O-CG 3.46Å; M524-R528 PolarHBondContact O-N 2.99Å; M524-R528 VanDerWaalsContact SD-CD 3.51Å; M524-R528 HydrophobicContact SD-CG 4.42Å; M524-R528 PolarHBondContact SD-NE 3.39Å; M524-R528 VanDerWaalsContact SD-NE 3.41Å |
| 525 | E | 92.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -48 | 175.8 | -70.6 | -53.5 | 145.3 | 0 | 0 | 112.5 | E498 R505 E521 I522 G527 R528 I529 | E498-E525 HydrophobicContact CB-CB 4.25Å; E498-E525 HydrophobicContact CG-CB 4.18Å; R505-E525 IonicContact CZ-OE1 3.31Å; R505-E525 IonicContact CZ-OE2 3.78Å; R505-E525 IonicContact NE-OE1 3.96Å; R505-E525 PolarHBondContact NE-OE1 3.23Å; R505-E525 IonicContact NH1-OE1 2.72Å; R505-E525 PolarHBondContact NH1-OE1 3.38Å; R505-E525 IonicContact NH1-OE2 2.61Å; R505-E525 IonicContact NH2-OE1 3.48Å; R505-E525 PolarHBondContact NH2-OE1 3.38Å; R505-E525 IonicContact NH2-OE2 3.54Å; R505-E525 PolarHBondContact NH2-OE2 3.09Å; E521-E525 WeakPolarHBondContact O-CG 3.4Å; E521-E525 PolarHBondContact O-N 2.88Å; I522-E525 PolarHBondContact O-N 3.31Å; I522-E525 VanDerWaalsContact O-N 3.17Å; E525-G527 VanDerWaalsContact C-N 3.27Å; E525-G527 PolarHBondContact O-N 2.94Å; E525-R528 WeakPolarHBondContact O-CG 3.12Å; E525-R528 PolarHBondContact O-N 3.44Å; E525-R528 VanDerWaalsContact O-N 3.15Å; E525-R528 IonicContact OE1-CZ 3.66Å; E525-R528 VanDerWaalsContact OE1-CZ 3.25Å; E525-R528 IonicContact OE1-NE 3.16Å; E525-R528 PolarHBondContact OE1-NE 2.71Å; E525-R528 IonicContact OE1-NH2 2.78Å; E525-R528 PolarHBondContact OE1-NH2 3.16Å; E525-R528 IonicContact OE2-CZ 3.53Å; E525-R528 IonicContact OE2-NE 3.16Å; E525-R528 PolarHBondContact OE2-NE 3.15Å; E525-R528 VanDerWaalsContact OE2-NE 3.16Å; E525-R528 IonicContact OE2-NH2 2.74Å; E525-R528 PolarHBondContact OE2-NH2 3.3Å; E525-I529 PolarHBondContact O-N 2.86Å |
| 526 | L | 92.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 178 | -63.6 | 177.8 | 0 | 0 | 0 | 111.4 | L244 E498 Q499 I522 R528 I529 | L244-L526 HydrophobicContact CD2-CD1 4.44Å; E498-L526 HydrophobicContact CB-CD2 3.92Å; Q499-L526 HydrophobicContact CG-CD2 3.58Å; I522-L526 HydrophobicContact CG2-CD1 4.1Å; I522-L526 HydrophobicContact CG2-CG 4.44Å; I522-L526 WeakPolarHBondContact O-CG 3.41Å; I522-L526 PolarHBondContact O-N 2.98Å; L526-R528 VanDerWaalsContact C-N 3.26Å; L526-R528 PolarHBondContact O-N 3.16Å; L526-I529 WeakPolarHBondContact O-CG2 3.43Å |
| 527 | G | 90.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 67% | 0.67 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -66.6 | -21.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M523 M524 E525 | M523-G527 PolarHBondContact O-N 2.86Å; M524-G527 PolarHBondContact O-N 3.01Å; E525-G527 VanDerWaalsContact C-N 3.27Å; E525-G527 PolarHBondContact O-N 2.94Å |
| 528 | R | 91.1 | Very high | 93.5 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -113 | 0.4 | -177.7 | 76 | -177.9 | -174.4 | 174.4 | -0.8 | 115 | R505 M524 E525 L526 S530 S531 R532 | R505-R528 VanDerWaalsContact NH1-NH2 3.13Å; M524-R528 WeakPolarHBondContact O-CG 3.46Å; M524-R528 PolarHBondContact O-N 2.99Å; M524-R528 VanDerWaalsContact SD-CD 3.51Å; M524-R528 HydrophobicContact SD-CG 4.42Å; M524-R528 PolarHBondContact SD-NE 3.39Å; M524-R528 VanDerWaalsContact SD-NE 3.41Å; E525-R528 WeakPolarHBondContact O-CG 3.12Å; E525-R528 PolarHBondContact O-N 3.44Å; E525-R528 VanDerWaalsContact O-N 3.15Å; E525-R528 IonicContact OE1-CZ 3.66Å; E525-R528 VanDerWaalsContact OE1-CZ 3.25Å; E525-R528 IonicContact OE1-NE 3.16Å; E525-R528 PolarHBondContact OE1-NE 2.71Å; E525-R528 IonicContact OE1-NH2 2.78Å; E525-R528 PolarHBondContact OE1-NH2 3.16Å; E525-R528 IonicContact OE2-CZ 3.53Å; E525-R528 IonicContact OE2-NE 3.16Å; E525-R528 PolarHBondContact OE2-NE 3.15Å; E525-R528 VanDerWaalsContact OE2-NE 3.16Å; E525-R528 IonicContact OE2-NH2 2.74Å; E525-R528 PolarHBondContact OE2-NH2 3.3Å; L526-R528 VanDerWaalsContact C-N 3.26Å; L526-R528 PolarHBondContact O-N 3.16Å; R528-S530 PolarHBondContact O-N 3.34Å; R528-S531 PolarHBondContact O-N 3.25Å; R528-S531 PolarHBondContact O-OG 2.56Å; R528-R532 HydrophobicContact CB-CG 4.11Å; R528-R532 HydrophobicContact CG-CB 4.49Å; R528-R532 HydrophobicContact CG-CG 3.77Å; R528-R532 WeakPolarHBondContact O-CB 3.44Å; R528-R532 WeakPolarHBondContact O-CG 3.45Å; R528-R532 PolarHBondContact O-N 3.34Å |
| 529 | I | 93.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -34.3 | -174.3 | -162.7 | 173.7 | 0 | 0 | 0 | 112.4 | E498 E525 L526 S531 N533 L534 L553 | E498-I529 HydrophobicContact CG-CD1 4.06Å; E498-I529 HydrophobicContact CG-CG1 4.49Å; E525-I529 PolarHBondContact O-N 2.86Å; L526-I529 WeakPolarHBondContact O-CG2 3.43Å; I529-S531 PolarHBondContact O-N 3.1Å; I529-N533 HydrophobicContact CG1-CB 4.47Å; I529-N533 PolarHBondContact O-N 3.09Å; I529-N533 VanDerWaalsContact O-N 3.1Å; I529-L534 HydrophobicContact CD1-CD1 4.4Å; I529-L534 HydrophobicContact CG1-CD1 4.04Å; I529-L534 HydrophobicContact CG1-CG 4.21Å; I529-L534 HydrophobicContact CG2-CD1 4.04Å; I529-L534 PolarHBondContact O-N 2.82Å; I529-L553 HydrophobicContact CD1-CD1 3.95Å; I529-L553 HydrophobicContact CD1-CD2 3.9Å |
| 530 | S | 92.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -61.2 | -41.5 | 179.2 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | F138 R528 G535 | F138-S530 WeakPolarHBondContact O-CA 3.32Å; F138-S530 WeakPolarHBondContact O-CB 3.47Å; R528-S530 PolarHBondContact O-N 3.34Å; S530-G535 PolarHBondContact O-N 3.5Å |
| 531 | S | 86.4 | Confident | 93.8 | Very high | 58 Ų | 58 | 27.8 Ų | 27.8 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -93.6 | -24.5 | -176.7 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | R528 I529 | R528-S531 PolarHBondContact O-N 3.25Å; R528-S531 PolarHBondContact O-OG 2.56Å; I529-S531 PolarHBondContact O-N 3.1Å |
| 532 | R | 88.4 | Confident | 93.8 | Very high | 103 Ų | 103 | 26.9 Ų | 26.9 | 39% | 0.389 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -90.6 | -33.2 | -177.7 | -69.8 | -55 | -160.6 | 149.4 | -1.6 | 115.1 | R528 R536 | R528-R532 HydrophobicContact CB-CG 4.11Å; R528-R532 HydrophobicContact CG-CB 4.49Å; R528-R532 HydrophobicContact CG-CG 3.77Å; R528-R532 WeakPolarHBondContact O-CB 3.44Å; R528-R532 WeakPolarHBondContact O-CG 3.45Å; R528-R532 PolarHBondContact O-N 3.34Å; R532-R536 PolarHBondContact O-NH1 2.98Å |
| 533 | N | 88.3 | Confident | 93.9 | Very high | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.118 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -124.2 | -60.2 | -172.4 | -65.5 | 92.4 | 0 | 0 | 0 | 111.4 | I529 G535 R536 D537 | I529-N533 HydrophobicContact CG1-CB 4.47Å; I529-N533 PolarHBondContact O-N 3.09Å; I529-N533 VanDerWaalsContact O-N 3.1Å; N533-G535 PolarHBondContact O-N 2.91Å; N533-R536 PolarHBondContact O-N 3.02Å; N533-D537 WeakPolarHBondContact O-CB 3.41Å; N533-D537 PolarHBondContact O-N 3.05Å |
| 534 | L | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -67.6 | -39.3 | -159.7 | -64.9 | 169 | 0 | 0 | 0 | 113.9 | F138 G139 R140 I494 I529 D537 D538 F550 L553 | F138-L534 HydrophobicContact CB-CD1 4.19Å; F138-L534 WeakPolarHBondContact O-CD1 3.2Å; G139-L534 VanDerWaalsContact O-CB 3.25Å; G139-L534 WeakPolarHBondContact O-CB 3.38Å; R140-L534 HydrophobicContact CG-CD1 4.02Å; R140-L534 HydrophobicContact CG-CD2 4.41Å; I494-L534 HydrophobicContact CG2-CD2 3.89Å; I529-L534 HydrophobicContact CD1-CD1 4.4Å; I529-L534 HydrophobicContact CG1-CD1 4.04Å; I529-L534 HydrophobicContact CG1-CG 4.21Å; I529-L534 HydrophobicContact CG2-CD1 4.04Å; I529-L534 PolarHBondContact O-N 2.82Å; L534-D537 PolarHBondContact O-N 3.48Å; L534-D538 VanDerWaalsContact O-CB 3.24Å; L534-D538 WeakPolarHBondContact O-CB 3.39Å; L534-D538 PolarHBondContact O-N 3.27Å; L534-F550 HydrophobicContact CD2-CD1 3.85Å; L534-F550 HydrophobicContact CD2-CE1 3.53Å; L534-F550 HydrophobicContact CD2-CE2 4.44Å; L534-F550 HydrophobicContact CD2-CG 4.44Å; L534-F550 HydrophobicContact CD2-CZ 3.85Å; L534-L553 HydrophobicContact CD1-CD1 3.8Å; L534-L553 HydrophobicContact CD2-CD1 3.71Å; L534-L553 HydrophobicContact CG-CD1 4.34Å |
| 535 | G | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S530 N533 R539 | S530-G535 PolarHBondContact O-N 3.5Å; N533-G535 PolarHBondContact O-N 2.91Å; G535-R539 WeakPolarHBondContact O-CG 3.33Å; G535-R539 PolarHBondContact O-N 3.36Å |
| 536 | R | 95.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 176.4 | 177.7 | -165 | 65.5 | -131.6 | -11.2 | 110.9 | I449 L452 D457 I460 R532 N533 D538 R539 V540 | I449-R536 HydrophobicContact CG1-CG 4.37Å; I449-R536 HydrophobicContact CG2-CG 4.42Å; L452-R536 HydrophobicContact CD1-CB 3.9Å; D457-R536 IonicContact OD1-NH1 3.39Å; D457-R536 PolarHBondContact OD1-NH1 3.03Å; I460-R536 VanDerWaalsContact CG2-NH2 3.3Å; R532-R536 PolarHBondContact O-NH1 2.98Å; N533-R536 PolarHBondContact O-N 3.02Å; R536-D538 VanDerWaalsContact C-N 3.34Å; R536-D538 PolarHBondContact O-N 3.16Å; R536-R539 PolarHBondContact O-N 2.94Å; R536-V540 WeakPolarHBondContact O-CG2 3.47Å; R536-V540 PolarHBondContact O-N 3.45Å |
| 537 | D | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | -172.6 | -63.6 | -11.2 | 0 | 0 | 0 | 110.9 | I494 N533 L534 V540 I541 | I494-D537 HydrophobicContact CD1-CB 4.19Å; I494-D537 WeakPolarHBondContact CD1-OD2 2.93Å; N533-D537 WeakPolarHBondContact O-CB 3.41Å; N533-D537 PolarHBondContact O-N 3.05Å; L534-D537 PolarHBondContact O-N 3.48Å; D537-V540 WeakPolarHBondContact O-CG2 3.41Å; D537-I541 WeakPolarHBondContact O-CB 3.43Å; D537-I541 WeakPolarHBondContact O-CD1 3.48Å; D537-I541 WeakPolarHBondContact O-CG1 3.38Å; D537-I541 PolarHBondContact O-N 3.4Å |
| 538 | D | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 173.3 | -176.2 | 70.9 | 0 | 0 | 0 | 112.8 | M1 R30 R141 S142 L534 R536 G542 | M1-D538 WeakPolarHBondContact CE-OD1 3.5Å; R30-D538 IonicContact CZ-OD2 3.13Å; R30-D538 PolarHBondContact NH1-O 2.72Å; R30-D538 IonicContact NH1-OD2 2.67Å; R30-D538 IonicContact NH2-OD1 2.98Å; R30-D538 IonicContact NH2-OD2 2.81Å; R30-D538 PolarHBondContact NH2-OD2 3.32Å; R141-D538 WeakPolarHBondContact CD-OD1 3.3Å; R141-D538 IonicContact CZ-OD1 3.96Å; R141-D538 IonicContact NH1-OD1 3.7Å; R141-D538 PolarHBondContact NH1-OD1 2.72Å; S142-D538 PolarHBondContact N-OD2 2.76Å; L534-D538 VanDerWaalsContact O-CB 3.24Å; L534-D538 WeakPolarHBondContact O-CB 3.39Å; L534-D538 PolarHBondContact O-N 3.27Å; R536-D538 VanDerWaalsContact C-N 3.34Å; R536-D538 PolarHBondContact O-N 3.16Å; D538-G542 PolarHBondContact O-N 3.02Å |
| 539 | R | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.3 | -48.3 | 176.4 | -73.9 | -173.9 | -61.7 | -106.2 | 1.6 | 112.6 | S142 L144 V159 E172 L448 I449 Q450 G535 R536 G542 D543 | S142-R539 PolarHBondContact OG-NH1 2.67Å; L144-R539 VanDerWaalsContact CD2-NH1 3.29Å; V159-R539 HydrophobicContact CB-CG 4.47Å; V159-R539 HydrophobicContact CG2-CG 4.42Å; E172-R539 IonicContact OE1-NH1 3.76Å; E172-R539 IonicContact OE2-CZ 2.61Å; E172-R539 IonicContact OE2-NH1 3.29Å; E172-R539 PolarHBondContact OE2-NH1 3.39Å; E172-R539 IonicContact OE2-NH2 3.64Å; L448-R539 HydrophobicContact CB-CB 4.46Å; L448-R539 VanDerWaalsContact O-CB 3.32Å; L448-R539 WeakPolarHBondContact O-CB 3.39Å; L448-R539 WeakPolarHBondContact O-CD 3.42Å; L448-R539 PolarHBondContact O-NE 2.95Å; I449-R539 PolarHBondContact O-NH2 3.24Å; Q450-R539 PolarHBondContact O-NE 2.8Å; Q450-R539 VanDerWaalsContact O-NE 3.09Å; Q450-R539 PolarHBondContact O-NH1 3.29Å; Q450-R539 PolarHBondContact O-NH2 3.03Å; G535-R539 WeakPolarHBondContact O-CG 3.33Å; G535-R539 PolarHBondContact O-N 3.36Å; R536-R539 PolarHBondContact O-N 2.94Å; R539-G542 PolarHBondContact O-N 3.48Å; R539-D543 PolarHBondContact O-N 3.29Å; R539-D543 VanDerWaalsContact O-N 3.15Å |
| 540 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -71 | -35.4 | -176.7 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | I445 L448 I449 V464 W465 R536 D537 | I445-V540 HydrophobicContact CG2-CG1 4.47Å; L448-V540 HydrophobicContact CB-CG1 3.87Å; I449-V540 HydrophobicContact CG1-CG1 4.35Å; V464-V540 HydrophobicContact CB-CG2 3.97Å; V464-V540 HydrophobicContact CG1-CG2 3.65Å; W465-V540 HydrophobicContact CB-CB 3.97Å; W465-V540 HydrophobicContact CB-CG1 4.46Å; W465-V540 HydrophobicContact CG-CB 4.39Å; R536-V540 WeakPolarHBondContact O-CG2 3.47Å; R536-V540 PolarHBondContact O-N 3.45Å; D537-V540 WeakPolarHBondContact O-CG2 3.41Å |
| 541 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -71.7 | -42.7 | 174.8 | -64.8 | 170 | 0 | 0 | 0 | 110.1 | L325 V464 V490 T492 D537 D543 H544 K546 A548 | L325-I541 HydrophobicContact CD1-CD1 4.27Å; V464-I541 HydrophobicContact CG1-CD1 3.74Å; V464-I541 HydrophobicContact CG1-CG1 3.53Å; V490-I541 HydrophobicContact CB-CG2 4.46Å; V490-I541 HydrophobicContact CG2-CG2 4.4Å; T492-I541 HydrophobicContact CG2-CD1 4.22Å; D537-I541 WeakPolarHBondContact O-CB 3.43Å; D537-I541 WeakPolarHBondContact O-CD1 3.48Å; D537-I541 WeakPolarHBondContact O-CG1 3.38Å; D537-I541 PolarHBondContact O-N 3.4Å; I541-D543 PolarHBondContact O-N 3.45Å; I541-H544 PolarHBondContact O-N 2.91Å; I541-K546 CarbonylContact C-O 3.46Å; I541-K546 HydrophobicContact CG2-CB 4.05Å; I541-A548 HydrophobicContact CB-CB 4.43Å; I541-A548 HydrophobicContact CD1-CB 3.61Å; I541-A548 HydrophobicContact CG2-CB 4.19Å |
| 542 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.8 | -27.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1 Q29 R30 D538 R539 H544 G545 K546 | M1-G542 VanDerWaalsContact SD-CA 3.54Å; Q29-G542 CarbonylContact C-O 3.53Å; R30-G542 VanDerWaalsContact CA-O 3.24Å; R30-G542 WeakPolarHBondContact CA-O 3.36Å; D538-G542 PolarHBondContact O-N 3.02Å; R539-G542 PolarHBondContact O-N 3.48Å; G542-H544 PolarHBondContact O-N 3.48Å; G542-G545 PolarHBondContact O-N 3.08Å; G542-K546 WeakPolarHBondContact CA-O 3.49Å |
| 543 | D | 98 | Very high | 96.9 | Very high | 4 Ų | 4 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20 | 178.2 | -166 | 47.8 | 0 | 0 | 0 | 114.8 | Q29 R444 L448 W465 R539 I541 | Q29-D543 WeakPolarHBondContact CB-OD1 2.67Å; Q29-D543 PolarHBondContact NE2-O 3.26Å; Q29-D543 VanDerWaalsContact NE2-O 3.15Å; R444-D543 IonicContact CZ-OD1 3.45Å; R444-D543 IonicContact CZ-OD2 3.91Å; R444-D543 IonicContact NE-OD1 2.98Å; R444-D543 PolarHBondContact NE-OD1 2.87Å; R444-D543 IonicContact NE-OD2 3.99Å; R444-D543 PolarHBondContact NE-OD2 2.99Å; R444-D543 IonicContact NH2-OD1 3.05Å; R444-D543 PolarHBondContact NH2-OD1 3.28Å; L448-D543 HydrophobicContact CD1-CB 3.56Å; L448-D543 VanDerWaalsContact CD1-CG 3.46Å; L448-D543 WeakPolarHBondContact CD1-OD2 3.43Å; L448-D543 HydrophobicContact CD2-CB 4.3Å; W465-D543 PolarHBondContact NE1-OD2 3.37Å; R539-D543 PolarHBondContact O-N 3.29Å; R539-D543 VanDerWaalsContact O-N 3.15Å; I541-D543 PolarHBondContact O-N 3.45Å |
| 544 | H | 98 | Very high | 97.4 | Very high | 46 Ų | 46 | 4.1 Ų | 4.1 | 21% | 0.213 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.9 | 177.5 | -63.4 | -57.8 | 0 | 0 | 0 | 113.4 | W465 S468 R469 I541 G542 K546 | W465-H544 AromaticContact CD1-NE2 3.69Å; W465-H544 AromaticContact CD2-CE1 3.9Å; W465-H544 AromaticContact CD2-NE2 3.39Å; W465-H544 AromaticContact CE2-CE1 3.38Å; W465-H544 AromaticContact CE2-NE2 3.24Å; W465-H544 AromaticContact CE3-NE2 3.92Å; W465-H544 AromaticContact CG-NE2 3.71Å; W465-H544 AromaticContact CH2-CE1 3.73Å; W465-H544 AromaticContact CZ2-CE1 3.31Å; W465-H544 WeakPolarHBondContact CZ2-CE1 2.92Å; W465-H544 AromaticContact CZ2-NE2 3.69Å; W465-H544 AromaticContact NE1-CE1 3.78Å; W465-H544 AromaticContact NE1-NE2 3.43Å; W465-H544 PolarHBondContact NE1-NE2 3.17Å; W465-H544 PolarHBondContact O-NE2 3.49Å; W465-H544 VanDerWaalsContact O-NE2 3.11Å; S468-H544 PolarHBondContact OG-CD2 3.48Å; R469-H544 PolarHBondContact N-CD2 2.91Å; I541-H544 PolarHBondContact O-N 2.91Å; G542-H544 PolarHBondContact O-N 3.48Å; H544-K546 VanDerWaalsContact C-N 3.26Å; H544-K546 HydrophobicContact CB-CD 4.47Å; H544-K546 HydrophobicContact CB-CG 4.22Å; H544-K546 PolarHBondContact O-N 3.28Å |
| 545 | G | 97.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 4.2 Ų | 4.2 | 8% | 0.082 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 36.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q29 L54 G542 | Q29-G545 WeakPolarHBondContact O-CA 3.48Å; Q29-G545 PolarHBondContact O-N 3.3Å; Q29-G545 VanDerWaalsContact O-N 3.13Å; L54-G545 WeakPolarHBondContact CD1-O 3.45Å; L54-G545 VanDerWaalsContact CD2-O 3.31Å; L54-G545 WeakPolarHBondContact CD2-O 2.98Å; G542-G545 PolarHBondContact O-N 3.08Å |
| 546 | K | 97.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.035 | 4% | 0.037 | C | C | . | . | trans | -124.9 | 145.1 | -179.9 | -60.9 | -169 | -177.6 | -168.2 | 0 | 111 | M1 S468 S485 A487 K488 V490 I541 G542 H544 | M1-K546 WeakPolarHBondContact CE-O 3.35Å; S468-K546 VanDerWaalsContact O-CD 3.25Å; S468-K546 WeakPolarHBondContact O-CD 3.48Å; S468-K546 VanDerWaalsContact O-CE 3.31Å; S468-K546 WeakPolarHBondContact O-CE 3.34Å; S468-K546 PolarHBondContact O-NZ 3.47Å; S468-K546 VanDerWaalsContact O-NZ 3.09Å; S485-K546 PolarHBondContact O-NZ 3.11Å; S485-K546 VanDerWaalsContact O-NZ 3.17Å; A487-K546 VanDerWaalsContact O-CD 3.23Å; A487-K546 WeakPolarHBondContact O-CD 3.04Å; A487-K546 WeakPolarHBondContact O-CE 3.33Å; K488-K546 CarbonylContact O-C 3.53Å; K488-K546 VanDerWaalsContact O-CA 3.29Å; K488-K546 WeakPolarHBondContact O-CA 3.42Å; V490-K546 HydrophobicContact CG2-CB 4.03Å; V490-K546 HydrophobicContact CG2-CD 3.79Å; I541-K546 CarbonylContact C-O 3.46Å; I541-K546 HydrophobicContact CG2-CB 4.05Å; G542-K546 WeakPolarHBondContact CA-O 3.49Å; H544-K546 VanDerWaalsContact C-N 3.26Å; H544-K546 HydrophobicContact CB-CD 4.47Å; H544-K546 HydrophobicContact CB-CG 4.22Å; H544-K546 PolarHBondContact O-N 3.28Å | ||
| 547 | E | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.8 | 177.4 | 178.2 | 172.9 | 86.5 | 0 | 0 | 112 | M1 L54 L56 E78 R141 K488 V490 R549 | M1-E547 WeakPolarHBondContact CA-OE2 3.39Å; M1-E547 HydrophobicContact CB-CB 3.85Å; M1-E547 HydrophobicContact CB-CG 3.91Å; M1-E547 WeakPolarHBondContact CB-OE2 3.17Å; M1-E547 PolarHBondContact N-OE2 3.13Å; L54-E547 HydrophobicContact CD2-CB 4.29Å; L56-E547 HydrophobicContact CD1-CB 3.59Å; L56-E547 HydrophobicContact CD1-CG 4.02Å; L56-E547 WeakPolarHBondContact CD1-OE1 3.49Å; L56-E547 WeakPolarHBondContact CD1-OE2 3.13Å; E78-E547 WeakPolarHBondContact CG-OE1 3.46Å; E78-E547 WeakPolarHBondContact CG-OE2 3.46Å; R141-E547 IonicContact CZ-OE2 2.79Å; R141-E547 IonicContact NE-OE2 3.9Å; R141-E547 IonicContact NH2-OE1 2.74Å; R141-E547 IonicContact NH2-OE2 2.67Å; R141-E547 PolarHBondContact NH2-OE2 3.03Å; K488-E547 PolarHBondContact O-N 2.92Å; V490-E547 PolarHBondContact N-O 3.4Å; E547-R549 HydrophobicContact CG-CG 4.29Å; E547-R549 IonicContact OE1-CZ 3.38Å; E547-R549 VanDerWaalsContact OE1-CZ 3.29Å; E547-R549 IonicContact OE1-NE 3.66Å; E547-R549 PolarHBondContact OE1-NE 3.23Å; E547-R549 IonicContact OE1-NH2 3.31Å; E547-R549 PolarHBondContact OE1-NH2 3.35Å |
| 548 | A | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111 | R141 V490 T492 I541 F550 | R141-A548 PolarHBondContact NH1-O 3.18Å; R141-A548 PolarHBondContact NH2-O 2.91Å; V490-A548 CarbonylContact O-C 3.56Å; V490-A548 WeakPolarHBondContact O-CA 3.3Å; T492-A548 HydrophobicContact CG2-CB 4.37Å; I541-A548 HydrophobicContact CB-CB 4.43Å; I541-A548 HydrophobicContact CD1-CB 3.61Å; I541-A548 HydrophobicContact CG2-CB 4.19Å; A548-F550 HydrophobicContact CB-CE1 4.2Å; A548-F550 HydrophobicContact CB-CE2 3.98Å; A548-F550 HydrophobicContact CB-CZ 3.56Å |
| 549 | R | 97.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 8 Ų | 8 | 1% | 0.011 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.9 | 170 | -62.2 | -172.5 | 179.3 | -168.4 | -11.5 | 110.4 | E78 F80 R297 V489 V490 L491 T492 E547 P551 | E78-R549 IonicContact OE2-NH2 3.44Å; F80-R549 HydrophobicContact CZ-CG 4.49Å; R297-R549 VanDerWaalsContact C-NH1 3.32Å; R297-R549 HydrophobicContact CB-CB 4.25Å; R297-R549 HydrophobicContact CG-CB 4.1Å; R297-R549 VanDerWaalsContact O-CD 3.25Å; R297-R549 WeakPolarHBondContact O-CD 3.26Å; R297-R549 PolarHBondContact O-NH1 3.07Å; V489-R549 HydrophobicContact CG1-CG 3.98Å; V490-R549 PolarHBondContact O-N 3.08Å; L491-R549 HydrophobicContact CD2-CB 3.85Å; T492-R549 PolarHBondContact N-O 3.13Å; E547-R549 HydrophobicContact CG-CG 4.29Å; E547-R549 IonicContact OE1-CZ 3.38Å; E547-R549 VanDerWaalsContact OE1-CZ 3.29Å; E547-R549 IonicContact OE1-NE 3.66Å; E547-R549 PolarHBondContact OE1-NE 3.23Å; E547-R549 IonicContact OE1-NH2 3.31Å; E547-R549 PolarHBondContact OE1-NH2 3.35Å; R549-P551 WeakPolarHBondContact O-CD 3.47Å |
| 550 | F | 97.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.013 | 5% | 0.05 | C | C | . | . | trans | -123 | 85.5 | -166.3 | -50.6 | -86.2 | 0 | 0 | 0 | 110.9 | R140 R297 T492 I494 L534 A548 F552 L553 D554 | R140-F550 HydrophobicContact CB-CD2 4.01Å; R140-F550 HydrophobicContact CB-CE2 3.9Å; R140-F550 HydrophobicContact CG-CD2 3.81Å; R140-F550 HydrophobicContact CG-CE2 4.13Å; R140-F550 HydrophobicContact CG-CG 4.41Å; R297-F550 VanDerWaalsContact NE-C 3.27Å; R297-F550 PolarHBondContact NE-O 2.77Å; R297-F550 VanDerWaalsContact NE-O 3.09Å; R297-F550 PolarHBondContact NH2-O 2.89Å; T492-F550 WeakPolarHBondContact OG1-CD1 3.41Å; I494-F550 HydrophobicContact CB-CD1 4.11Å; I494-F550 HydrophobicContact CB-CE1 4.4Å; I494-F550 HydrophobicContact CD1-CE1 4.02Å; I494-F550 HydrophobicContact CG2-CD1 4.44Å; L534-F550 HydrophobicContact CD2-CD1 3.85Å; L534-F550 HydrophobicContact CD2-CE1 3.53Å; L534-F550 HydrophobicContact CD2-CE2 4.44Å; L534-F550 HydrophobicContact CD2-CG 4.44Å; L534-F550 HydrophobicContact CD2-CZ 3.85Å; A548-F550 HydrophobicContact CB-CE1 4.2Å; A548-F550 HydrophobicContact CB-CE2 3.98Å; A548-F550 HydrophobicContact CB-CZ 3.56Å; F550-F552 VanDerWaalsContact C-N 3.32Å; F550-F552 PolarHBondContact O-N 3.17Å; F550-L553 HydrophobicContact CB-CB 3.88Å; F550-L553 HydrophobicContact CB-CD1 4.14Å; F550-L553 HydrophobicContact CB-CG 4.27Å; F550-L553 HydrophobicContact CD1-CD1 4.45Å; F550-L553 HydrophobicContact CG-CD1 4.38Å; F550-L553 CarbonylContact O-C 3.57Å; F550-L553 PolarHBondContact O-N 3.36Å; F550-L553 VanDerWaalsContact O-N 3.15Å; F550-D554 PolarHBondContact O-N 3.34Å | ||
| 551 | P | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -59.2 | -39.2 | -179.1 | -26.1 | 35.3 | 0 | 0 | 0 | 113.7 | L290 V294 I335 T492 R549 L553 D554 | L290-P551 HydrophobicContact CD1-CB 3.94Å; V294-P551 HydrophobicContact CG2-CB 3.73Å; V294-P551 HydrophobicContact CG2-CG 3.93Å; I335-P551 HydrophobicContact CD1-CG 4.14Å; I335-P551 HydrophobicContact CG1-CG 4.37Å; T492-P551 WeakPolarHBondContact O-CD 3.34Å; R549-P551 WeakPolarHBondContact O-CD 3.47Å; P551-L553 PolarHBondContact O-N 2.93Å; P551-D554 WeakPolarHBondContact O-CB 3.5Å; P551-D554 PolarHBondContact O-N 2.93Å |
| 552 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -70 | -16.4 | 177.8 | -70.7 | -75.4 | 0 | 0 | 0 | 113.8 | F286 L290 D331 I335 A496 Q499 F550 V558 L584 | F286-F552 HydrophobicContact CZ-CE1 4.06Å; L290-F552 HydrophobicContact CD1-CD1 4.09Å; L290-F552 HydrophobicContact CD1-CE1 4.13Å; L290-F552 HydrophobicContact CD1-CG 4.46Å; L290-F552 HydrophobicContact CD2-CD1 4.46Å; L290-F552 HydrophobicContact CD2-CE1 3.72Å; L290-F552 HydrophobicContact CD2-CZ 3.95Å; D331-F552 HydrophobicContact CB-CE2 4.23Å; I335-F552 HydrophobicContact CD1-CD2 3.94Å; I335-F552 HydrophobicContact CD1-CE2 3.62Å; I335-F552 HydrophobicContact CG1-CD2 4.49Å; I335-F552 HydrophobicContact CG1-CE2 3.84Å; A496-F552 HydrophobicContact CB-CD1 3.96Å; A496-F552 HydrophobicContact CB-CD2 3.77Å; A496-F552 HydrophobicContact CB-CE1 4.01Å; A496-F552 HydrophobicContact CB-CE2 3.82Å; A496-F552 HydrophobicContact CB-CG 3.84Å; A496-F552 HydrophobicContact CB-CZ 3.94Å; Q499-F552 PolarHBondContact NE2-O 2.99Å; F550-F552 VanDerWaalsContact C-N 3.32Å; F550-F552 PolarHBondContact O-N 3.17Å; F552-V558 WeakPolarHBondContact O-CG2 3.21Å; F552-L584 HydrophobicContact CE1-CD1 4.06Å; F552-L584 HydrophobicContact CE1-CD2 4.36Å; F552-L584 HydrophobicContact CZ-CD1 3.94Å; F552-L584 HydrophobicContact CZ-CD2 4.07Å |
| 553 | L | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -107 | 28.2 | 175 | -58.5 | 176 | 0 | 0 | 0 | 111.3 | R140 I494 I529 L534 F550 P551 V558 | R140-L553 HydrophobicContact CG-CD1 4.37Å; R140-L553 PolarHBondContact NH1-O 3.34Å; I494-L553 HydrophobicContact CG2-CD1 4.49Å; I529-L553 HydrophobicContact CD1-CD1 3.95Å; I529-L553 HydrophobicContact CD1-CD2 3.9Å; L534-L553 HydrophobicContact CD1-CD1 3.8Å; L534-L553 HydrophobicContact CD2-CD1 3.71Å; L534-L553 HydrophobicContact CG-CD1 4.34Å; F550-L553 HydrophobicContact CB-CB 3.88Å; F550-L553 HydrophobicContact CB-CD1 4.14Å; F550-L553 HydrophobicContact CB-CG 4.27Å; F550-L553 HydrophobicContact CD1-CD1 4.45Å; F550-L553 HydrophobicContact CG-CD1 4.38Å; F550-L553 CarbonylContact O-C 3.57Å; F550-L553 PolarHBondContact O-N 3.36Å; F550-L553 VanDerWaalsContact O-N 3.15Å; P551-L553 PolarHBondContact O-N 2.93Å; L553-V558 HydrophobicContact CD2-CG2 4.4Å |
| 554 | D | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | trans | -69.9 | 137.3 | 160.6 | -167.4 | -91.2 | 0 | 0 | 0 | 109.5 | A293 R297 F550 P551 N556 V557 V558 | A293-D554 HydrophobicContact CB-CB 3.54Å; R297-D554 IonicContact CZ-OD2 2.76Å; R297-D554 IonicContact NH1-OD2 3.09Å; R297-D554 PolarHBondContact NH1-OD2 3.44Å; R297-D554 VanDerWaalsContact NH2-CB 3.3Å; R297-D554 IonicContact NH2-OD2 3.34Å; R297-D554 PolarHBondContact NH2-OD2 3.28Å; F550-D554 PolarHBondContact O-N 3.34Å; P551-D554 WeakPolarHBondContact O-CB 3.5Å; P551-D554 PolarHBondContact O-N 2.93Å; D554-N556 PolarHBondContact O-N 3.34Å; D554-N556 WeakPolarHBondContact OD1-CB 3.34Å; D554-N556 PolarHBondContact OD1-N 3.27Å; D554-N556 PolarHBondContact OD1-ND2 3.08Å; D554-V557 HydrophobicContact CB-CB 4.01Å; D554-V557 HydrophobicContact CB-CG2 3.81Å; D554-V557 PolarHBondContact O-N 2.6Å; D554-V558 VanDerWaalsContact O-CG2 3.31Å; D554-V558 WeakPolarHBondContact O-CG2 3.33Å; D554-V558 PolarHBondContact O-N 3.06Å | ||
| 555 | E | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -54.6 | -37.9 | -179.2 | -67.7 | 77.1 | -178.2 | 0 | 0 | 111.3 | Q116 G117 F138 R140 P240 V241 S559 | Q116-E555 HydrophobicContact CB-CG 4.23Å; Q116-E555 HydrophobicContact CG-CB 4.39Å; Q116-E555 HydrophobicContact CG-CG 4.13Å; G117-E555 PolarHBondContact N-OE1 2.67Å; F138-E555 HydrophobicContact CE2-CG 4.29Å; R140-E555 IonicContact CZ-OE1 2.81Å; R140-E555 VanDerWaalsContact CZ-OE1 3.26Å; R140-E555 IonicContact NH1-OE1 2.69Å; R140-E555 PolarHBondContact NH1-OE1 3.17Å; R140-E555 IonicContact NH1-OE2 3.67Å; R140-E555 PolarHBondContact NH1-OE2 2.99Å; R140-E555 IonicContact NH2-OE1 3.78Å; R140-E555 PolarHBondContact NH2-OE1 2.78Å; P240-E555 HydrophobicContact CB-CG 3.93Å; P240-E555 HydrophobicContact CG-CG 4.1Å; V241-E555 HydrophobicContact CG1-CB 4.33Å; E555-S559 VanDerWaalsContact O-CB 3.26Å; E555-S559 WeakPolarHBondContact O-CB 3.42Å; E555-S559 PolarHBondContact O-N 2.74Å; E555-S559 PolarHBondContact O-OG 3.19Å |
| 556 | N | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 11.3 Ų | 11.3 | 33% | 0.326 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -76.9 | -36.7 | 179 | -55.3 | -71.4 | 0 | 0 | 0 | 112.1 | V289 D554 S559 F560 | V289-N556 HydrophobicContact CG2-CB 3.75Å; D554-N556 PolarHBondContact O-N 3.34Å; D554-N556 WeakPolarHBondContact OD1-CB 3.34Å; D554-N556 PolarHBondContact OD1-N 3.27Å; D554-N556 PolarHBondContact OD1-ND2 3.08Å; N556-S559 PolarHBondContact O-N 2.91Å; N556-F560 WeakPolarHBondContact O-CB 3.45Å; N556-F560 PolarHBondContact O-N 3.32Å |
| 557 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 175 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | F286 V289 L290 A293 D554 S559 F560 L561 | F286-V557 HydrophobicContact CE2-CG1 4.35Å; V289-V557 HydrophobicContact CG1-CG2 4.23Å; V289-V557 HydrophobicContact CG2-CG2 4.02Å; L290-V557 HydrophobicContact CB-CG2 4.47Å; L290-V557 HydrophobicContact CD1-CG1 4.4Å; L290-V557 HydrophobicContact CD1-CG2 4.18Å; A293-V557 HydrophobicContact CB-CG2 3.63Å; D554-V557 HydrophobicContact CB-CB 4.01Å; D554-V557 HydrophobicContact CB-CG2 3.81Å; D554-V557 PolarHBondContact O-N 2.6Å; V557-S559 VanDerWaalsContact C-N 3.33Å; V557-F560 PolarHBondContact O-N 3.37Å; V557-L561 HydrophobicContact CG1-CD1 4.06Å; V557-L561 HydrophobicContact CG1-CG 4.47Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.49Å; V557-L561 PolarHBondContact O-N 3.41Å |
| 558 | V | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | F138 V241 F552 L553 D554 L561 N562 | F138-V558 HydrophobicContact CE1-CB 4.44Å; F138-V558 HydrophobicContact CE1-CG1 3.99Å; F138-V558 HydrophobicContact CE1-CG2 4.03Å; F138-V558 HydrophobicContact CE2-CG2 4.35Å; F138-V558 HydrophobicContact CZ-CB 3.89Å; F138-V558 HydrophobicContact CZ-CG1 3.85Å; F138-V558 HydrophobicContact CZ-CG2 3.6Å; V241-V558 HydrophobicContact CB-CG1 4.25Å; V241-V558 HydrophobicContact CG1-CB 4.03Å; V241-V558 HydrophobicContact CG1-CG1 3.91Å; V241-V558 HydrophobicContact CG2-CG1 4.42Å; F552-V558 WeakPolarHBondContact O-CG2 3.21Å; L553-V558 HydrophobicContact CD2-CG2 4.4Å; D554-V558 VanDerWaalsContact O-CG2 3.31Å; D554-V558 WeakPolarHBondContact O-CG2 3.33Å; D554-V558 PolarHBondContact O-N 3.06Å; V558-L561 PolarHBondContact O-N 3.13Å; V558-N562 WeakPolarHBondContact O-CB 3.31Å; V558-N562 VanDerWaalsContact O-CG 3.22Å; V558-N562 PolarHBondContact O-N 2.91Å |
| 559 | S | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 16.5 Ų | 16.5 | 17% | 0.168 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | V241 V242 E555 N556 V557 N562 S563 | V241-S559 VanDerWaalsContact CA-OG 3.27Å; V241-S559 WeakPolarHBondContact CA-OG 3.4Å; V242-S559 VanDerWaalsContact CG2-O 3.27Å; V242-S559 WeakPolarHBondContact CG2-O 3.24Å; V242-S559 PolarHBondContact N-OG 3.02Å; E555-S559 VanDerWaalsContact O-CB 3.26Å; E555-S559 WeakPolarHBondContact O-CB 3.42Å; E555-S559 PolarHBondContact O-N 2.74Å; E555-S559 PolarHBondContact O-OG 3.19Å; N556-S559 PolarHBondContact O-N 2.91Å; V557-S559 VanDerWaalsContact C-N 3.33Å; S559-N562 PolarHBondContact O-N 3.34Å; S559-S563 PolarHBondContact O-N 3.35Å |
| 560 | F | 98.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 13% | 0.127 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -52.1 | 174.6 | 172.6 | -94.7 | 0 | 0 | 0 | 110.6 | V282 Q285 F286 V289 N556 V557 N562 S563 L564 L583 | V282-F560 HydrophobicContact CG1-CZ 4.1Å; V282-F560 WeakPolarHBondContact O-CZ 3.36Å; Q285-F560 HydrophobicContact CB-CD2 4.46Å; Q285-F560 HydrophobicContact CB-CE2 3.57Å; Q285-F560 HydrophobicContact CB-CZ 3.93Å; F286-F560 HydrophobicContact CB-CD1 4.37Å; F286-F560 HydrophobicContact CB-CE1 3.5Å; F286-F560 VanDerWaalsContact CB-CE1 3.5Å; F286-F560 HydrophobicContact CB-CZ 3.93Å; F286-F560 AromaticContact CD2-CD1 3.86Å; F286-F560 HydrophobicContact CD2-CD1 3.86Å; F286-F560 AromaticContact CD2-CE1 3.7Å; F286-F560 HydrophobicContact CD2-CE1 3.7Å; F286-F560 AromaticContact CG-CE1 3.99Å; F286-F560 HydrophobicContact CG-CE1 3.99Å; V289-F560 HydrophobicContact CG1-CB 4.09Å; V289-F560 HydrophobicContact CG1-CD1 4.05Å; V289-F560 HydrophobicContact CG1-CG 4.01Å; N556-F560 WeakPolarHBondContact O-CB 3.45Å; N556-F560 PolarHBondContact O-N 3.32Å; V557-F560 PolarHBondContact O-N 3.37Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.98Å; F560-S563 WeakPolarHBondContact O-CB 3.32Å; F560-S563 PolarHBondContact O-N 3.44Å; F560-S563 VanDerWaalsContact O-N 3.14Å; F560-S563 PolarHBondContact O-OG 3.31Å; F560-L564 HydrophobicContact CD1-CD1 4.39Å; F560-L564 HydrophobicContact CE1-CD1 3.66Å; F560-L564 HydrophobicContact CE1-CG 4.42Å; F560-L564 HydrophobicContact CZ-CD1 3.85Å; F560-L564 HydrophobicContact CZ-CD2 4.47Å; F560-L564 HydrophobicContact CZ-CG 4.41Å; F560-L564 PolarHBondContact O-N 2.78Å; F560-L583 HydrophobicContact CE1-CD2 4.36Å |
| 561 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 178.3 | -70.5 | 179.1 | 0 | 0 | 0 | 111.8 | F286 Q499 L500 V557 V558 S563 L564 K569 L583 | F286-L561 HydrophobicContact CD2-CD2 3.93Å; F286-L561 HydrophobicContact CD2-CG 4.48Å; F286-L561 HydrophobicContact CE2-CD1 4.08Å; F286-L561 HydrophobicContact CE2-CD2 3.72Å; F286-L561 HydrophobicContact CE2-CG 4.08Å; F286-L561 HydrophobicContact CZ-CD2 4.47Å; Q499-L561 HydrophobicContact CB-CD1 3.9Å; Q499-L561 HydrophobicContact CG-CD1 4.47Å; L500-L561 HydrophobicContact CD2-CD1 4.19Å; L500-L561 HydrophobicContact CD2-CD2 3.66Å; L500-L561 HydrophobicContact CG-CD1 4.42Å; V557-L561 HydrophobicContact CG1-CD1 4.06Å; V557-L561 HydrophobicContact CG1-CG 4.47Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.49Å; V557-L561 PolarHBondContact O-N 3.41Å; V558-L561 PolarHBondContact O-N 3.13Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 2.91Å; L561-L564 PolarHBondContact O-N 3.31Å; L561-K569 WeakPolarHBondContact O-CE 2.82Å; L561-K569 PolarHBondContact O-NZ 3.27Å; L561-L583 HydrophobicContact CD2-CD2 3.8Å |
| 562 | N | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.9 | -32.5 | 177.3 | -80.9 | -2.2 | 0 | 0 | 0 | 112.3 | V242 N245 V558 S559 F560 L564 | V242-N562 HydrophobicContact CG2-CB 3.8Å; V242-N562 WeakPolarHBondContact O-CB 3.09Å; V242-N562 PolarHBondContact O-ND2 3.11Å; N245-N562 WeakPolarHBondContact CB-O 3.38Å; N245-N562 PolarHBondContact N-O 3.3Å; V558-N562 WeakPolarHBondContact O-CB 3.31Å; V558-N562 VanDerWaalsContact O-CG 3.22Å; V558-N562 PolarHBondContact O-N 2.91Å; S559-N562 PolarHBondContact O-N 3.34Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.98Å; N562-L564 VanDerWaalsContact C-N 3.32Å; N562-L564 PolarHBondContact O-N 2.72Å |
| 563 | S | 97.8 | Very high | 97 | Very high | 64 Ų | 64 | 21.8 Ų | 21.8 | 45% | 0.448 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -67 | -31.8 | 177.9 | 77.3 | 0 | 0 | 0 | 0 | 113.3 | N245 S559 F560 L561 | N245-S563 PolarHBondContact ND2-O 2.98Å; S559-S563 PolarHBondContact O-N 3.35Å; F560-S563 WeakPolarHBondContact O-CB 3.32Å; F560-S563 PolarHBondContact O-N 3.44Å; F560-S563 VanDerWaalsContact O-N 3.14Å; F560-S563 PolarHBondContact O-OG 3.31Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 2.91Å |
| 564 | L | 98.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 22 Ų | 22 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -75.1 | 141.5 | -179.8 | -57.8 | 178.4 | 0 | 0 | 0 | 111.2 | V282 F560 L561 N562 K569 L583 | V282-L564 HydrophobicContact CG1-CD1 3.67Å; V282-L564 HydrophobicContact CG1-CD2 4.03Å; F560-L564 HydrophobicContact CD1-CD1 4.39Å; F560-L564 HydrophobicContact CE1-CD1 3.66Å; F560-L564 HydrophobicContact CE1-CG 4.42Å; F560-L564 HydrophobicContact CZ-CD1 3.85Å; F560-L564 HydrophobicContact CZ-CD2 4.47Å; F560-L564 HydrophobicContact CZ-CG 4.41Å; F560-L564 PolarHBondContact O-N 2.78Å; L561-L564 PolarHBondContact O-N 3.31Å; N562-L564 VanDerWaalsContact C-N 3.32Å; N562-L564 PolarHBondContact O-N 2.72Å; L564-K569 HydrophobicContact CB-CG 4.37Å; L564-K569 WeakPolarHBondContact O-CE 3.32Å; L564-K569 PolarHBondContact O-NZ 2.95Å; L564-L583 HydrophobicContact CD1-CD2 3.75Å |
| 565 | P | 96.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 8% | 0.084 | 13% | 0.129 | C | C | . | . | trans | -67.8 | 155.1 | 167.9 | 30.8 | -34.9 | 0 | 0 | 0 | 111.1 | W567 E568 | P565-W567 VanDerWaalsContact C-N 3.26Å; P565-W567 HydrophobicContact CB-CD2 3.7Å; P565-W567 HydrophobicContact CB-CE3 3.79Å; P565-W567 HydrophobicContact CB-CH2 3.36Å; P565-W567 HydrophobicContact CB-CZ2 3.23Å; P565-W567 HydrophobicContact CB-CZ3 3.62Å; P565-W567 HydrophobicContact CG-CD2 4.06Å; P565-W567 VanDerWaalsContact CG-CE2 3.4Å; P565-W567 HydrophobicContact CG-CH2 4.14Å; P565-W567 HydrophobicContact CG-CZ2 3.47Å; P565-W567 VanDerWaalsContact CG-CZ2 3.47Å; P565-W567 PolarHBondContact O-N 3.16Å; P565-E568 HydrophobicContact CG-CB 4.42Å; P565-E568 HydrophobicContact CG-CG 3.96Å; P565-E568 WeakPolarHBondContact CG-OE1 3.25Å; P565-E568 PolarHBondContact O-N 3.42Å; P565-E568 VanDerWaalsContact O-N 3.13Å | ||
| 566 | I | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -28.6 | -171.6 | -169.6 | 59.2 | 0 | 0 | 0 | 114.2 | L515 L518 N519 I522 E568 K569 A570 | L515-I566 HydrophobicContact CB-CG2 4.42Å; L515-I566 HydrophobicContact CD2-CG2 3.94Å; L518-I566 HydrophobicContact CD2-CD1 4.29Å; L518-I566 HydrophobicContact CD2-CG1 3.51Å; L518-I566 HydrophobicContact CG-CD1 4.45Å; L518-I566 HydrophobicContact CG-CG1 3.87Å; N519-I566 WeakPolarHBondContact OD1-CB 3.36Å; N519-I566 VanDerWaalsContact OD1-CG2 3.22Å; N519-I566 WeakPolarHBondContact OD1-CG2 3.41Å; I522-I566 HydrophobicContact CG1-CD1 4.18Å; I566-E568 VanDerWaalsContact C-N 3.28Å; I566-E568 PolarHBondContact O-N 2.97Å; I566-K569 HydrophobicContact CD1-CB 4.37Å; I566-K569 HydrophobicContact CD1-CD 4.13Å; I566-K569 PolarHBondContact O-N 3.03Å; I566-K569 VanDerWaalsContact O-N 3.11Å; I566-A570 PolarHBondContact O-N 3.27Å |
| 567 | W | 94.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 27.5 Ų | 27.5 | 22% | 0.223 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.1 | -20.2 | 179 | 57.3 | 83.6 | 0 | 0 | 0 | 113.6 | M247 P249 L253 L515 P565 A570 | M247-W567 HydrophobicContact CB-CH2 4.42Å; M247-W567 WeakPolarHBondContact O-CZ3 3.46Å; P249-W567 HydrophobicContact CB-CH2 4.27Å; P249-W567 HydrophobicContact CB-CZ2 4.43Å; P249-W567 HydrophobicContact CB-CZ3 4.41Å; P249-W567 VanDerWaalsContact CD-CZ3 3.47Å; P249-W567 HydrophobicContact CG-CZ3 4.37Å; L253-W567 HydrophobicContact CD1-CB 3.76Å; L253-W567 HydrophobicContact CD1-CD2 4.21Å; L253-W567 HydrophobicContact CD1-CG 3.87Å; L253-W567 HydrophobicContact CD2-CG 4.2Å; L515-W567 HydrophobicContact CD1-CE3 4.01Å; P565-W567 VanDerWaalsContact C-N 3.26Å; P565-W567 HydrophobicContact CB-CD2 3.7Å; P565-W567 HydrophobicContact CB-CE3 3.79Å; P565-W567 HydrophobicContact CB-CH2 3.36Å; P565-W567 HydrophobicContact CB-CZ2 3.23Å; P565-W567 HydrophobicContact CB-CZ3 3.62Å; P565-W567 HydrophobicContact CG-CD2 4.06Å; P565-W567 VanDerWaalsContact CG-CE2 3.4Å; P565-W567 HydrophobicContact CG-CH2 4.14Å; P565-W567 HydrophobicContact CG-CZ2 3.47Å; P565-W567 VanDerWaalsContact CG-CZ2 3.47Å; P565-W567 PolarHBondContact O-N 3.16Å; W567-A570 WeakPolarHBondContact CA-O 3.19Å |
| 568 | E | 95.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 27.6 Ų | 27.6 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -81 | -19.8 | 171.3 | -70.4 | -176.9 | -141.1 | 0 | 0 | 112 | H278 P565 I566 | H278-E568 IonicContact NE2-OE1 3.37Å; H278-E568 IonicContact NE2-OE2 3.25Å; H278-E568 PolarHBondContact NE2-OE2 3.22Å; P565-E568 HydrophobicContact CG-CB 4.42Å; P565-E568 HydrophobicContact CG-CG 3.96Å; P565-E568 WeakPolarHBondContact CG-OE1 3.25Å; P565-E568 PolarHBondContact O-N 3.42Å; P565-E568 VanDerWaalsContact O-N 3.13Å; I566-E568 VanDerWaalsContact C-N 3.28Å; I566-E568 PolarHBondContact O-N 2.97Å |
| 569 | K | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -88.2 | -39.2 | 178.6 | -56.4 | 174.3 | -149.2 | 178.8 | 0 | 112 | L500 L561 L564 I566 L582 L583 | L500-K569 HydrophobicContact CD2-CB 4.06Å; L500-K569 HydrophobicContact CD2-CG 4.35Å; L561-K569 WeakPolarHBondContact O-CE 2.82Å; L561-K569 PolarHBondContact O-NZ 3.27Å; L564-K569 HydrophobicContact CB-CG 4.37Å; L564-K569 WeakPolarHBondContact O-CE 3.32Å; L564-K569 PolarHBondContact O-NZ 2.95Å; I566-K569 HydrophobicContact CD1-CB 4.37Å; I566-K569 HydrophobicContact CD1-CD 4.13Å; I566-K569 PolarHBondContact O-N 3.03Å; I566-K569 VanDerWaalsContact O-N 3.11Å; K569-L582 PolarHBondContact O-N 3.29Å; K569-L582 VanDerWaalsContact O-N 3.07Å; K569-L583 PolarHBondContact O-N 2.96Å; K569-L583 VanDerWaalsContact O-N 3.13Å |
| 570 | A | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | trans | -150.1 | 143.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A501 I566 W567 L572 G579 | A501-A570 HydrophobicContact CB-CB 3.69Å; I566-A570 PolarHBondContact O-N 3.27Å; W567-A570 WeakPolarHBondContact CA-O 3.19Å; A570-L572 HydrophobicContact CB-CD2 4.36Å; A570-G579 WeakPolarHBondContact CA-O 3.34Å | ||
| 571 | N | 94.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 20% | 0.203 | 13% | 0.128 | C | C | . | . | trans | -123.9 | 89.8 | 172.4 | -175.4 | -10.8 | 0 | 0 | 0 | 110 | T573 L574 G579 L582 | N571-T573 PolarHBondContact O-N 3.01Å; N571-T573 VanDerWaalsContact O-N 3.16Å; N571-T573 WeakPolarHBondContact OD1-CB 3.48Å; N571-T573 PolarHBondContact OD1-N 3.48Å; N571-T573 PolarHBondContact OD1-OG1 2.94Å; N571-L574 HydrophobicContact CB-CD1 3.88Å; N571-L574 HydrophobicContact CB-CG 4.19Å; N571-L574 WeakPolarHBondContact O-CB 3.25Å; N571-L574 PolarHBondContact O-N 3.32Å; N571-L574 VanDerWaalsContact O-N 3.1Å; N571-G579 PolarHBondContact N-O 3.39Å; N571-G579 WeakPolarHBondContact O-CA 3.36Å; N571-L582 HydrophobicContact CB-CD2 3.81Å | ||
| 572 | L | 94.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 6.9 | -174.4 | -56 | -177.3 | 0 | 0 | 0 | 113.9 | A501 H506 R507 F510 L518 A570 E580 | A501-L572 HydrophobicContact CB-CD1 4.43Å; H506-L572 HydrophobicContact CB-CD1 4.3Å; R507-L572 HydrophobicContact CB-CD1 4.46Å; R507-L572 PolarHBondContact NH1-O 3.15Å; F510-L572 HydrophobicContact CB-CB 4.28Å; F510-L572 HydrophobicContact CB-CD1 3.78Å; F510-L572 HydrophobicContact CD1-CB 3.54Å; F510-L572 HydrophobicContact CE1-CB 3.96Å; F510-L572 HydrophobicContact CG-CB 3.85Å; F510-L572 HydrophobicContact CG-CD1 4.17Å; L518-L572 HydrophobicContact CD1-CD1 4.03Å; L518-L572 HydrophobicContact CD2-CD1 3.77Å; L518-L572 HydrophobicContact CD2-CG 4.48Å; A570-L572 HydrophobicContact CB-CD2 4.36Å; L572-E580 HydrophobicContact CD2-CB 4.45Å; L572-E580 HydrophobicContact CD2-CG 3.89Å |
| 573 | T | 91 | Very high | 94.2 | Very high | 72 Ų | 72 | 25.6 Ų | 25.6 | 44% | 0.442 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.1 | 163.8 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | F510 N571 | F510-T573 HydrophobicContact CE1-CG2 3.94Å; F510-T573 HydrophobicContact CZ-CG2 3.76Å; N571-T573 PolarHBondContact O-N 3.01Å; N571-T573 VanDerWaalsContact O-N 3.16Å; N571-T573 WeakPolarHBondContact OD1-CB 3.48Å; N571-T573 PolarHBondContact OD1-N 3.48Å; N571-T573 PolarHBondContact OD1-OG1 2.94Å |
| 574 | L | 89.9 | Confident | 94.3 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -76.7 | 157.6 | 177.6 | -59.9 | 173.9 | 0 | 0 | 0 | 111.5 | C257 F273 R507 N571 I578 | C257-L574 HydrophobicContact CB-CD2 3.96Å; F273-L574 HydrophobicContact CE2-CD1 3.97Å; F273-L574 HydrophobicContact CZ-CD1 3.73Å; R507-L574 PolarHBondContact NH1-O 3.27Å; R507-L574 PolarHBondContact NH2-O 3.39Å; N571-L574 HydrophobicContact CB-CD1 3.88Å; N571-L574 HydrophobicContact CB-CG 4.19Å; N571-L574 WeakPolarHBondContact O-CB 3.25Å; N571-L574 PolarHBondContact O-N 3.32Å; N571-L574 VanDerWaalsContact O-N 3.1Å; L574-I578 HydrophobicContact CB-CB 4.35Å; L574-I578 HydrophobicContact CB-CG2 4.12Å; L574-I578 HydrophobicContact CD1-CG2 3.71Å; L574-I578 HydrophobicContact CG-CG2 4.49Å |
| 575 | P | 89.3 | Confident | 94.3 | Very high | 31 Ų | 31 | 21.9 Ų | 21.9 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 159.3 | 177.6 | -26.5 | 35.4 | 0 | 0 | 0 | 114 | R507 G577 I578 G579 | R507-P575 PolarHBondContact NH2-O 3.46Å; P575-G577 PolarHBondContact O-N 3.07Å; P575-I578 PolarHBondContact O-N 3.03Å; P575-I578 VanDerWaalsContact O-N 3.14Å; P575-G579 PolarHBondContact O-N 3.24Å; P575-G579 VanDerWaalsContact O-N 3.09Å |
| 576 | R | 89.7 | Confident | 94.3 | Very high | 151 Ų | 151 | 21.5 Ų | 21.5 | 57% | 0.57 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 132.5 | 175.6 | -172.4 | -175.4 | 176 | -176.4 | -2.3 | 110.1 | E580 P600 K601 | R576-E580 WeakPolarHBondContact CA-OE2 3.17Å; R576-P600 HydrophobicContact CG-CB 4.2Å; R576-K601 PolarHBondContact NH2-O 2.97Å |
| 577 | G | 86.2 | Confident | 94.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -3.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | P575 E580 R585 | P575-G577 PolarHBondContact O-N 3.07Å; G577-E580 PolarHBondContact N-OE2 3.26Å; G577-R585 WeakPolarHBondContact O-CD 3.27Å; G577-R585 PolarHBondContact O-NE 3.12Å; G577-R585 PolarHBondContact O-NH1 3.09Å |
| 578 | I | 89.6 | Confident | 94.6 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -53.5 | 170.2 | -57.9 | -65.7 | 0 | 0 | 0 | 109.9 | P265 T269 L270 L574 P575 L582 R585 L598 | P265-I578 HydrophobicContact CB-CD1 3.64Å; P265-I578 HydrophobicContact CB-CG1 3.43Å; P265-I578 VanDerWaalsContact CB-CG1 3.43Å; T269-I578 HydrophobicContact CG2-CG2 4.14Å; L270-I578 HydrophobicContact CD2-CD1 4.28Å; L270-I578 HydrophobicContact CD2-CG2 4.01Å; L270-I578 HydrophobicContact CG-CD1 4.16Å; L574-I578 HydrophobicContact CB-CB 4.35Å; L574-I578 HydrophobicContact CB-CG2 4.12Å; L574-I578 HydrophobicContact CD1-CG2 3.71Å; L574-I578 HydrophobicContact CG-CG2 4.49Å; P575-I578 PolarHBondContact O-N 3.03Å; P575-I578 VanDerWaalsContact O-N 3.14Å; I578-L582 HydrophobicContact CG2-CD1 4.45Å; I578-R585 WeakPolarHBondContact O-CD 3.37Å; I578-L598 HydrophobicContact CD1-CD2 3.45Å; I578-L598 VanDerWaalsContact CD1-CD2 3.45Å |
| 579 | G | 93.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -67.9 | -40.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A570 N571 P575 | A570-G579 WeakPolarHBondContact CA-O 3.34Å; N571-G579 PolarHBondContact N-O 3.39Å; N571-G579 WeakPolarHBondContact O-CA 3.36Å; P575-G579 PolarHBondContact O-N 3.24Å; P575-G579 VanDerWaalsContact O-N 3.09Å |
| 580 | E | 95.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 134.2 | 175.6 | -57.8 | 87 | 172.3 | 0 | 0 | 110.5 | R507 L572 R576 G577 L582 R585 | R507-E580 IonicContact CZ-OE1 2.82Å; R507-E580 IonicContact NE-OE1 2.82Å; R507-E580 PolarHBondContact NE-OE1 2.81Å; R507-E580 IonicContact NH2-OE1 2.79Å; R507-E580 PolarHBondContact NH2-OE1 3.3Å; R507-E580 IonicContact NH2-OE2 3.22Å; R507-E580 PolarHBondContact NH2-OE2 3.11Å; R507-E580 VanDerWaalsContact NH2-OE2 3.16Å; L572-E580 HydrophobicContact CD2-CB 4.45Å; L572-E580 HydrophobicContact CD2-CG 3.89Å; R576-E580 WeakPolarHBondContact CA-OE2 3.17Å; G577-E580 PolarHBondContact N-OE2 3.26Å; E580-L582 PolarHBondContact O-N 3.03Å; E580-R585 PolarHBondContact O-NE 3.31Å |
| 581 | K | 97.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 35.7 | 179.9 | -43.9 | -177.7 | 177.9 | -175.3 | 0 | 113.8 | I330 D331 D497 L500 G502 L583 L584 R585 | I330-K581 HydrophobicContact CG2-CD 4.24Å; D331-K581 IonicContact OD1-NZ 3.96Å; D331-K581 PolarHBondContact OD1-NZ 2.7Å; D331-K581 IonicContact OD2-NZ 2.67Å; D331-K581 PolarHBondContact OD2-NZ 3.39Å; D497-K581 WeakPolarHBondContact OD1-CE 3.15Å; D497-K581 IonicContact OD1-NZ 2.72Å; D497-K581 PolarHBondContact OD1-NZ 2.61Å; D497-K581 IonicContact OD2-NZ 3.21Å; D497-K581 PolarHBondContact OD2-NZ 3.4Å; D497-K581 VanDerWaalsContact OD2-NZ 3.13Å; L500-K581 HydrophobicContact CB-CB 4.08Å; L500-K581 HydrophobicContact CB-CG 3.99Å; L500-K581 VanDerWaalsContact O-CA 3.25Å; L500-K581 WeakPolarHBondContact O-CA 3.24Å; L500-K581 PolarHBondContact O-N 3.02Å; G502-K581 VanDerWaalsContact CA-CE 3.49Å; K581-L583 VanDerWaalsContact C-N 3.28Å; K581-L583 PolarHBondContact O-N 3.49Å; K581-L584 HydrophobicContact CB-CB 4.2Å; K581-L584 HydrophobicContact CD-CD2 4.21Å; K581-L584 PolarHBondContact O-N 3.5Å; K581-R585 WeakPolarHBondContact O-CG 3.43Å; K581-R585 PolarHBondContact O-N 3.3Å |
| 582 | L | 97.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -50.5 | -47.3 | -175.7 | -179.2 | 60.7 | 0 | 0 | 0 | 112 | L270 F273 K569 N571 I578 E580 L584 R585 L586 | L270-L582 HydrophobicContact CD2-CD1 3.81Å; F273-L582 HydrophobicContact CD2-CD1 4.5Å; F273-L582 HydrophobicContact CE1-CD2 4.26Å; F273-L582 HydrophobicContact CZ-CD2 4.4Å; K569-L582 PolarHBondContact O-N 3.29Å; K569-L582 VanDerWaalsContact O-N 3.07Å; N571-L582 HydrophobicContact CB-CD2 3.81Å; I578-L582 HydrophobicContact CG2-CD1 4.45Å; E580-L582 PolarHBondContact O-N 3.03Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.15Å; L582-R585 WeakPolarHBondContact O-CB 3.34Å; L582-R585 PolarHBondContact O-N 3.48Å; L582-R585 VanDerWaalsContact O-N 3.08Å; L582-L586 HydrophobicContact CD1-CD1 4.08Å; L582-L586 HydrophobicContact CD1-CG 4.11Å; L582-L586 HydrophobicContact CG-CD1 3.94Å; L582-L586 HydrophobicContact CG-CG 4.39Å; L582-L586 WeakPolarHBondContact O-CG 3.39Å; L582-L586 PolarHBondContact O-N 2.87Å |
| 583 | L | 98.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -43.6 | 177.9 | 178.8 | 59.7 | 0 | 0 | 0 | 112.7 | V282 I283 F286 L500 F560 L561 L564 K569 K581 L586 A587 | V282-L583 HydrophobicContact CG1-CD1 3.98Å; I283-L583 HydrophobicContact CG1-CD1 3.88Å; F286-L583 HydrophobicContact CB-CD1 4.28Å; F286-L583 HydrophobicContact CB-CD2 4.3Å; F286-L583 HydrophobicContact CB-CG 4.39Å; F286-L583 HydrophobicContact CD1-CD1 4.32Å; F286-L583 HydrophobicContact CD1-CD2 4.18Å; F286-L583 HydrophobicContact CD1-CG 3.81Å; F286-L583 HydrophobicContact CD2-CD2 4.3Å; F286-L583 HydrophobicContact CE1-CG 4.28Å; F286-L583 HydrophobicContact CG-CD1 4.48Å; F286-L583 HydrophobicContact CG-CD2 3.99Å; F286-L583 HydrophobicContact CG-CG 4.08Å; L500-L583 HydrophobicContact CD2-CB 4.46Å; L500-L583 HydrophobicContact CD2-CD2 4.39Å; F560-L583 HydrophobicContact CE1-CD2 4.36Å; L561-L583 HydrophobicContact CD2-CD2 3.8Å; L564-L583 HydrophobicContact CD1-CD2 3.75Å; K569-L583 PolarHBondContact O-N 2.96Å; K569-L583 VanDerWaalsContact O-N 3.13Å; K581-L583 VanDerWaalsContact C-N 3.28Å; K581-L583 PolarHBondContact O-N 3.49Å; L583-L586 PolarHBondContact O-N 2.65Å; L583-A587 WeakPolarHBondContact O-CB 3.44Å; L583-A587 PolarHBondContact O-N 3.45Å |
| 584 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.1 | -30.8 | 177.7 | -179 | 65.8 | 0 | 0 | 0 | 112.6 | F286 I330 D331 V334 A496 L500 F552 K581 L582 A588 | F286-L584 HydrophobicContact CE1-CB 4.28Å; F286-L584 HydrophobicContact CE1-CD1 3.87Å; F286-L584 HydrophobicContact CZ-CD1 4.29Å; I330-L584 HydrophobicContact CD1-CG 4.35Å; I330-L584 HydrophobicContact CG1-CG 4.25Å; I330-L584 HydrophobicContact CG2-CD2 4.01Å; D331-L584 WeakPolarHBondContact OD1-CD2 3.25Å; V334-L584 HydrophobicContact CB-CD1 3.97Å; V334-L584 HydrophobicContact CG1-CD1 3.84Å; V334-L584 HydrophobicContact CG2-CD1 3.76Å; V334-L584 HydrophobicContact CG2-CG 4.38Å; A496-L584 HydrophobicContact CB-CD2 4.5Å; L500-L584 HydrophobicContact CD1-CB 3.73Å; L500-L584 HydrophobicContact CD1-CD2 4.09Å; L500-L584 HydrophobicContact CD1-CG 4.45Å; F552-L584 HydrophobicContact CE1-CD1 4.06Å; F552-L584 HydrophobicContact CE1-CD2 4.36Å; F552-L584 HydrophobicContact CZ-CD1 3.94Å; F552-L584 HydrophobicContact CZ-CD2 4.07Å; K581-L584 HydrophobicContact CB-CB 4.2Å; K581-L584 HydrophobicContact CD-CD2 4.21Å; K581-L584 PolarHBondContact O-N 3.5Å; L582-L584 VanDerWaalsContact C-N 3.33Å; L582-L584 PolarHBondContact O-N 3.15Å; L584-A588 WeakPolarHBondContact O-CB 2.96Å; L584-A588 PolarHBondContact O-N 3.43Å |
| 585 | R | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 173.3 | -67.4 | -179.8 | -173.2 | -76.5 | -1.8 | 111.9 | L270 I330 G577 I578 E580 K581 L582 A588 V589 A597 L599 | L270-R585 HydrophobicContact CD1-CB 4.18Å; L270-R585 HydrophobicContact CD2-CB 4.22Å; I330-R585 VanDerWaalsContact CD1-CA 3.46Å; I330-R585 HydrophobicContact CD1-CB 4.02Å; I330-R585 HydrophobicContact CD1-CG 3.48Å; I330-R585 VanDerWaalsContact CD1-CG 3.48Å; G577-R585 WeakPolarHBondContact O-CD 3.27Å; G577-R585 PolarHBondContact O-NE 3.12Å; G577-R585 PolarHBondContact O-NH1 3.09Å; I578-R585 WeakPolarHBondContact O-CD 3.37Å; E580-R585 PolarHBondContact O-NE 3.31Å; K581-R585 WeakPolarHBondContact O-CG 3.43Å; K581-R585 PolarHBondContact O-N 3.3Å; L582-R585 WeakPolarHBondContact O-CB 3.34Å; L582-R585 PolarHBondContact O-N 3.48Å; L582-R585 VanDerWaalsContact O-N 3.08Å; R585-A588 WeakPolarHBondContact O-CB 3.45Å; R585-A588 PolarHBondContact O-N 2.95Å; R585-V589 WeakPolarHBondContact O-CG2 3.38Å; R585-V589 PolarHBondContact O-N 3.08Å; R585-V589 VanDerWaalsContact O-N 3.08Å; R585-A597 WeakPolarHBondContact CD-O 3.48Å; R585-A597 WeakPolarHBondContact CG-O 3.44Å; R585-A597 PolarHBondContact NH1-O 3.09Å; R585-L599 PolarHBondContact NH1-O 2.82Å; R585-L599 PolarHBondContact NH2-O 2.97Å |
| 586 | L | 97.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 176 | -62.3 | 171.3 | 0 | 0 | 0 | 111.1 | L270 F273 L274 I279 I283 L582 L583 A588 V589 E590 | L270-L586 HydrophobicContact CB-CD2 3.96Å; L270-L586 HydrophobicContact CD2-CD2 3.9Å; L270-L586 HydrophobicContact CG-CD2 4.49Å; L270-L586 WeakPolarHBondContact O-CD2 3.21Å; F273-L586 HydrophobicContact CB-CD1 3.84Å; F273-L586 HydrophobicContact CB-CD2 3.74Å; F273-L586 HydrophobicContact CB-CG 4.47Å; F273-L586 HydrophobicContact CG-CD1 4.36Å; F273-L586 HydrophobicContact CG-CD2 4.44Å; L274-L586 HydrophobicContact CD2-CB 4.18Å; L274-L586 HydrophobicContact CD2-CD2 4.1Å; L274-L586 HydrophobicContact CG-CD2 4.23Å; I279-L586 HydrophobicContact CG2-CD1 3.9Å; I283-L586 HydrophobicContact CD1-CB 3.44Å; I283-L586 VanDerWaalsContact CD1-CB 3.44Å; I283-L586 HydrophobicContact CD1-CD1 3.98Å; I283-L586 HydrophobicContact CD1-CG 4.26Å; I283-L586 HydrophobicContact CG1-CB 3.88Å; L582-L586 HydrophobicContact CD1-CD1 4.08Å; L582-L586 HydrophobicContact CD1-CG 4.11Å; L582-L586 HydrophobicContact CG-CD1 3.94Å; L582-L586 HydrophobicContact CG-CG 4.39Å; L582-L586 WeakPolarHBondContact O-CG 3.39Å; L582-L586 PolarHBondContact O-N 2.87Å; L583-L586 PolarHBondContact O-N 2.65Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.32Å; L586-V589 PolarHBondContact O-N 3.03Å; L586-E590 PolarHBondContact O-N 3.19Å |
| 587 | A | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I283 F286 I287 L583 V589 E590 L591 | I283-A587 HydrophobicContact CG2-CB 4.08Å; F286-A587 HydrophobicContact CD1-CB 3.89Å; F286-A587 HydrophobicContact CE1-CB 4.22Å; I287-A587 HydrophobicContact CD1-CB 4.13Å; I287-A587 HydrophobicContact CG1-CB 3.78Å; L583-A587 WeakPolarHBondContact O-CB 3.44Å; L583-A587 PolarHBondContact O-N 3.45Å; A587-V589 VanDerWaalsContact C-N 3.3Å; A587-V589 PolarHBondContact O-N 3.18Å; A587-E590 PolarHBondContact O-N 2.99Å; A587-L591 WeakPolarHBondContact O-CB 3.25Å; A587-L591 WeakPolarHBondContact O-CG 3.46Å; A587-L591 PolarHBondContact O-N 3.07Å |
| 588 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I330 V334 L584 R585 L586 L591 G592 L593 A597 | I330-A588 HydrophobicContact CD1-CB 3.75Å; I330-A588 HydrophobicContact CG1-CB 3.96Å; V334-A588 HydrophobicContact CG2-CB 3.75Å; L584-A588 WeakPolarHBondContact O-CB 2.96Å; L584-A588 PolarHBondContact O-N 3.43Å; R585-A588 WeakPolarHBondContact O-CB 3.45Å; R585-A588 PolarHBondContact O-N 2.95Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.32Å; A588-L591 CarbonylContact O-C 3.52Å; A588-L591 WeakPolarHBondContact O-CB 3.21Å; A588-L591 PolarHBondContact O-N 3.41Å; A588-G592 PolarHBondContact O-N 2.68Å; A588-L593 HydrophobicContact CB-CB 4.09Å; A588-L593 HydrophobicContact CB-CD1 3.89Å; A588-L593 WeakPolarHBondContact O-CA 3.23Å; A588-L593 VanDerWaalsContact O-CB 3.22Å; A588-L593 WeakPolarHBondContact O-CB 3.5Å; A588-L593 PolarHBondContact O-N 3.49Å; A588-A597 HydrophobicContact CB-CB 3.99Å |
| 589 | V | 97 | Very high | 96.2 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | L270 L274 R585 L586 A587 L591 G592 L593 A597 | L270-V589 HydrophobicContact CB-CG2 4.4Å; L270-V589 HydrophobicContact CD1-CG2 3.85Å; L274-V589 HydrophobicContact CD1-CB 4.28Å; L274-V589 HydrophobicContact CD1-CG1 3.66Å; R585-V589 WeakPolarHBondContact O-CG2 3.38Å; R585-V589 PolarHBondContact O-N 3.08Å; R585-V589 VanDerWaalsContact O-N 3.08Å; L586-V589 PolarHBondContact O-N 3.03Å; A587-V589 VanDerWaalsContact C-N 3.3Å; A587-V589 PolarHBondContact O-N 3.18Å; V589-L591 PolarHBondContact O-N 3.17Å; V589-G592 PolarHBondContact O-N 3.29Å; V589-L593 WeakPolarHBondContact CA-O 3.22Å; V589-A597 HydrophobicContact CG2-CB 3.84Å |
| 590 | E | 96.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 20.9 Ų | 20.9 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.2 | -28.7 | 175.1 | -74.1 | -68.2 | 149.6 | 0 | 0 | 112.5 | L274 I283 I287 L586 A587 G592 | L274-E590 HydrophobicContact CD2-CG 4.07Å; I283-E590 HydrophobicContact CG2-CB 4.3Å; I283-E590 HydrophobicContact CG2-CG 3.87Å; I287-E590 HydrophobicContact CD1-CB 3.76Å; L586-E590 PolarHBondContact O-N 3.19Å; A587-E590 PolarHBondContact O-N 2.99Å; E590-G592 PolarHBondContact O-N 3.16Å |
| 591 | L | 97.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 2.3 | 172.9 | -66.3 | 173.6 | 0 | 0 | 0 | 113.7 | I287 V334 T337 L338 R341 A587 A588 V589 | I287-L591 HydrophobicContact CD1-CD2 4.27Å; I287-L591 HydrophobicContact CD1-CG 4.17Å; I287-L591 HydrophobicContact CG1-CD2 4.49Å; I287-L591 HydrophobicContact CG1-CG 4.44Å; I287-L591 HydrophobicContact CG2-CD2 3.95Å; V334-L591 HydrophobicContact CB-CD1 4.46Å; V334-L591 HydrophobicContact CG1-CD1 3.8Å; V334-L591 HydrophobicContact CG2-CD1 4.29Å; T337-L591 HydrophobicContact CG2-CB 4.14Å; L338-L591 HydrophobicContact CD2-CD1 4.21Å; L338-L591 HydrophobicContact CD2-CD2 3.89Å; L338-L591 HydrophobicContact CG-CD1 4.23Å; R341-L591 VanDerWaalsContact CZ-CD2 3.43Å; A587-L591 WeakPolarHBondContact O-CB 3.25Å; A587-L591 WeakPolarHBondContact O-CG 3.46Å; A587-L591 PolarHBondContact O-N 3.07Å; A588-L591 CarbonylContact O-C 3.52Å; A588-L591 WeakPolarHBondContact O-CB 3.21Å; A588-L591 PolarHBondContact O-N 3.41Å; V589-L591 PolarHBondContact O-N 3.17Å |
| 592 | G | 96.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 40% | 0.402 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 6.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A588 V589 E590 | A588-G592 PolarHBondContact O-N 2.68Å; V589-G592 PolarHBondContact O-N 3.29Å; E590-G592 PolarHBondContact O-N 3.16Å |
| 593 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -79.3 | 148.5 | 173.5 | -56.4 | 172 | 0 | 0 | 0 | 110.4 | M333 V334 E415 V419 A588 V589 | M333-L593 HydrophobicContact CB-CD1 3.91Å; M333-L593 HydrophobicContact CE-CD2 3.69Å; V334-L593 HydrophobicContact CG2-CD1 4.05Å; E415-L593 HydrophobicContact CG-CD2 3.92Å; V419-L593 HydrophobicContact CG2-CD2 4.28Å; A588-L593 HydrophobicContact CB-CB 4.09Å; A588-L593 HydrophobicContact CB-CD1 3.89Å; A588-L593 WeakPolarHBondContact O-CA 3.23Å; A588-L593 VanDerWaalsContact O-CB 3.22Å; A588-L593 WeakPolarHBondContact O-CB 3.5Å; A588-L593 PolarHBondContact O-N 3.49Å; V589-L593 WeakPolarHBondContact CA-O 3.22Å | ||
| 594 | T | 92.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | trans | -128.7 | -83.1 | -171.8 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | E415 S596 A597 | E415-T594 VanDerWaalsContact OE1-CA 3.28Å; E415-T594 WeakPolarHBondContact OE1-CA 3.43Å; E415-T594 WeakPolarHBondContact OE1-CB 3.47Å; E415-T594 PolarHBondContact OE1-N 3.36Å; E415-T594 PolarHBondContact OE1-OG1 3.14Å; T594-S596 VanDerWaalsContact C-N 3.33Å; T594-S596 PolarHBondContact O-N 3.16Å; T594-A597 WeakPolarHBondContact O-CB 3.35Å; T594-A597 PolarHBondContact O-N 2.82Å; T594-A597 VanDerWaalsContact O-N 3.11Å | ||
| 595 | A | 93.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 33 Ų | 33 | 50% | 0.504 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61 | -42.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E415 A597 L598 L599 | E415-A595 PolarHBondContact OE1-N 3.39Å; A595-A597 VanDerWaalsContact C-N 3.25Å; A595-A597 PolarHBondContact O-N 2.79Å; A595-L598 PolarHBondContact O-N 2.96Å; A595-L598 VanDerWaalsContact O-N 3.13Å; A595-L599 PolarHBondContact O-N 2.99Å |
| 596 | S | 94.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -28.2 | 178.6 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | E415 T594 L598 L599 | E415-S596 WeakPolarHBondContact OE2-CB 3.27Å; E415-S596 PolarHBondContact OE2-N 2.83Å; E415-S596 PolarHBondContact OE2-OG 3.07Å; T594-S596 VanDerWaalsContact C-N 3.33Å; T594-S596 PolarHBondContact O-N 3.16Å; S596-L598 PolarHBondContact O-N 3.28Å; S596-L599 PolarHBondContact O-N 3.19Å |
| 597 | A | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -21.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L270 I330 R585 A588 V589 T594 A595 | L270-A597 HydrophobicContact CD1-CB 4.27Å; I330-A597 HydrophobicContact CD1-CB 4.47Å; R585-A597 WeakPolarHBondContact CD-O 3.48Å; R585-A597 WeakPolarHBondContact CG-O 3.44Å; R585-A597 PolarHBondContact NH1-O 3.09Å; A588-A597 HydrophobicContact CB-CB 3.99Å; V589-A597 HydrophobicContact CG2-CB 3.84Å; T594-A597 WeakPolarHBondContact O-CB 3.35Å; T594-A597 PolarHBondContact O-N 2.82Å; T594-A597 VanDerWaalsContact O-N 3.11Å; A595-A597 VanDerWaalsContact C-N 3.25Å; A595-A597 PolarHBondContact O-N 2.79Å |
| 598 | L | 94.3 | Very high | 94 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -102.7 | -6.2 | -178.9 | -59.1 | 174.4 | 0 | 0 | 0 | 113.1 | R267 L270 I578 A595 S596 P600 | R267-L598 HydrophobicContact CB-CD1 4.44Å; L270-L598 HydrophobicContact CD1-CD2 3.65Å; L270-L598 HydrophobicContact CG-CD2 4.21Å; I578-L598 HydrophobicContact CD1-CD2 3.45Å; I578-L598 VanDerWaalsContact CD1-CD2 3.45Å; A595-L598 PolarHBondContact O-N 2.96Å; A595-L598 VanDerWaalsContact O-N 3.13Å; S596-L598 PolarHBondContact O-N 3.28Å; L598-P600 VanDerWaalsContact O-CD 3.31Å; L598-P600 WeakPolarHBondContact O-CD 2.94Å |
| 599 | L | 93.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 124.8 | -177.3 | -72.3 | 177.5 | 0 | 0 | 0 | 111.3 | T408 R585 A595 S596 | T408-L599 HydrophobicContact CG2-CD1 4.03Å; T408-L599 HydrophobicContact CG2-CD2 4.45Å; R585-L599 PolarHBondContact NH1-O 2.82Å; R585-L599 PolarHBondContact NH2-O 2.97Å; A595-L599 PolarHBondContact O-N 2.99Å; S596-L599 PolarHBondContact O-N 3.19Å |
| 600 | P | 92.9 | Very high | 93.5 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 144.7 | 171.5 | -25.3 | 36.1 | 0 | 0 | 0 | 111.6 | R576 L598 R602 | R576-P600 HydrophobicContact CG-CB 4.2Å; L598-P600 VanDerWaalsContact O-CD 3.31Å; L598-P600 WeakPolarHBondContact O-CD 2.94Å; P600-R602 PolarHBondContact O-N 2.77Å |
| 601 | K | 93.2 | Very high | 93 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 19% | 0.191 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 130.5 | 173.4 | -172.1 | -148.8 | 168.4 | 54.6 | 0 | 110.3 | D497 G502 Y503 R576 | D497-K601 VanDerWaalsContact OD1-CD 3.24Å; D497-K601 WeakPolarHBondContact OD1-CD 3.46Å; D497-K601 WeakPolarHBondContact OD1-CE 3.46Å; D497-K601 IonicContact OD1-NZ 3.61Å; D497-K601 PolarHBondContact OD1-NZ 3.13Å; D497-K601 IonicContact OD2-NZ 3.37Å; D497-K601 PolarHBondContact OD2-NZ 3.04Å; G502-K601 WeakPolarHBondContact O-CD 3.23Å; Y503-K601 HydrophobicContact CD1-CD 4.32Å; R576-K601 PolarHBondContact NH2-O 2.97Å |
| 602 | R | 92.6 | Very high | 92.3 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | trans | -119.5 | 135.9 | 162.5 | -171.7 | 175.3 | -67.5 | 129.7 | -6 | 108.9 | P404 P600 F606 G607 | P404-R602 VanDerWaalsContact CB-CZ 3.44Å; P600-R602 PolarHBondContact O-N 2.77Å; R602-F606 HydrophobicContact CG-CB 4.29Å; R602-G607 VanDerWaalsContact CD-CA 3.44Å | ||
| 603 | A | 90.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -75.5 | 142.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q605 F606 G607 | A603-Q605 PolarHBondContact O-N 3.32Å; A603-Q605 VanDerWaalsContact O-N 3.15Å; A603-F606 HydrophobicContact CB-CD2 3.86Å; A603-F606 HydrophobicContact CB-CE2 4.27Å; A603-F606 PolarHBondContact O-N 3.03Å; A603-G607 PolarHBondContact O-N 3.13Å | ||
| 604 | M | 91.7 | Very high | 90 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 30% | 0.3 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -51.9 | -41.3 | -174.2 | -176.6 | -177.5 | -75.9 | 0 | 0 | 112.6 | A463 V464 F606 G607 S608 | A463-M604 HydrophobicContact CB-CG 4.06Å; A463-M604 HydrophobicContact CB-SD 3.74Å; V464-M604 HydrophobicContact CG2-CE 4.5Å; V464-M604 HydrophobicContact CG2-SD 3.95Å; M604-F606 PolarHBondContact O-N 3.06Å; M604-F606 VanDerWaalsContact O-N 3.16Å; M604-G607 PolarHBondContact O-N 2.86Å; M604-G607 VanDerWaalsContact O-N 3.15Å; M604-S608 WeakPolarHBondContact O-CB 3.46Å; M604-S608 PolarHBondContact O-N 2.88Å; M604-S608 PolarHBondContact O-OG 2.84Å |
| 605 | Q | 90 | Very high | 88.5 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -27.8 | -179.6 | 71.2 | -175.6 | 5.8 | 0 | 0 | 114.5 | A603 I610 A611 | A603-Q605 PolarHBondContact O-N 3.32Å; A603-Q605 VanDerWaalsContact O-N 3.15Å; Q605-I610 HydrophobicContact CB-CG2 3.95Å; Q605-I610 WeakPolarHBondContact O-CG2 3.18Å; Q605-I610 PolarHBondContact O-N 3.44Å; Q605-A611 HydrophobicContact CB-CB 4.23Å; Q605-A611 HydrophobicContact CG-CB 4.25Å; Q605-A611 WeakPolarHBondContact O-CB 3.31Å; Q605-A611 PolarHBondContact O-N 2.97Å; Q605-A611 VanDerWaalsContact O-N 3.07Å |
| 606 | F | 91.9 | Very high | 87.1 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -91.1 | -33.9 | 176.5 | -57.9 | -59.7 | 0 | 0 | 0 | 111.5 | R602 A603 M604 R609 A611 | R602-F606 HydrophobicContact CG-CB 4.29Å; A603-F606 HydrophobicContact CB-CD2 3.86Å; A603-F606 HydrophobicContact CB-CE2 4.27Å; A603-F606 PolarHBondContact O-N 3.03Å; M604-F606 PolarHBondContact O-N 3.06Å; M604-F606 VanDerWaalsContact O-N 3.16Å; F606-R609 PolarHBondContact O-N 3.44Å; F606-A611 HydrophobicContact CD1-CB 4.04Å; F606-A611 HydrophobicContact CE1-CB 4.12Å |
| 607 | G | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P404 D405 R602 A603 M604 R609 | P404-G607 VanDerWaalsContact CD-O 3.27Å; P404-G607 WeakPolarHBondContact CD-O 3.44Å; D405-G607 PolarHBondContact N-O 3.35Å; D405-G607 WeakPolarHBondContact OD1-CA 3.35Å; D405-G607 WeakPolarHBondContact OD2-CA 3.44Å; R602-G607 VanDerWaalsContact CD-CA 3.44Å; A603-G607 PolarHBondContact O-N 3.13Å; M604-G607 PolarHBondContact O-N 2.86Å; M604-G607 VanDerWaalsContact O-N 3.15Å; G607-R609 VanDerWaalsContact C-N 3.28Å |
| 608 | S | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -78.6 | -11.8 | 173.8 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | F356 M604 I610 | F356-S608 WeakPolarHBondContact CB-O 3.09Å; F356-S608 WeakPolarHBondContact CD2-OG 3.45Å; F356-S608 PolarHBondContact N-O 3.48Å; M604-S608 WeakPolarHBondContact O-CB 3.46Å; M604-S608 PolarHBondContact O-N 2.88Å; M604-S608 PolarHBondContact O-OG 2.84Å; S608-I610 VanDerWaalsContact C-N 3.34Å; S608-I610 PolarHBondContact O-N 2.87Å; S608-I610 PolarHBondContact OG-N 2.97Å |
| 609 | R | 93.3 | Very high | 85.2 | Confident | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 68.2 | 9.7 | -173.4 | -65.6 | -167.3 | -176.9 | 179.2 | 2.9 | 117.3 | S402 V403 F606 G607 A611 K612 M613 | S402-R609 PolarHBondContact O-NH2 3.4Å; S402-R609 VanDerWaalsContact O-NH2 3.11Å; V403-R609 HydrophobicContact CB-CG 4Å; V403-R609 HydrophobicContact CG1-CB 4.27Å; V403-R609 HydrophobicContact CG1-CG 3.96Å; F606-R609 PolarHBondContact O-N 3.44Å; G607-R609 VanDerWaalsContact C-N 3.28Å; R609-A611 VanDerWaalsContact C-N 3.28Å; R609-A611 PolarHBondContact O-N 2.65Å; R609-K612 PolarHBondContact O-N 3.1Å; R609-M613 PolarHBondContact O-N 3.2Å |
| 610 | I | 91.6 | Very high | 84.7 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.7 | -42.5 | 175.2 | -173.7 | 167.6 | 0 | 0 | 0 | 112.8 | F356 L437 C462 Q605 S608 K612 M613 | F356-I610 HydrophobicContact CB-CB 4.44Å; F356-I610 HydrophobicContact CD1-CB 4.2Å; F356-I610 HydrophobicContact CD1-CD1 4.33Å; F356-I610 HydrophobicContact CD1-CG1 4.22Å; F356-I610 HydrophobicContact CD2-CB 3.6Å; F356-I610 HydrophobicContact CD2-CG1 4.43Å; F356-I610 HydrophobicContact CD2-CG2 4.46Å; F356-I610 HydrophobicContact CE1-CB 4.39Å; F356-I610 HydrophobicContact CE1-CD1 3.82Å; F356-I610 HydrophobicContact CE1-CG1 4.21Å; F356-I610 HydrophobicContact CE2-CB 3.81Å; F356-I610 HydrophobicContact CE2-CD1 4.15Å; F356-I610 HydrophobicContact CE2-CG1 4.41Å; F356-I610 HydrophobicContact CE2-CG2 4.42Å; F356-I610 HydrophobicContact CG-CB 3.81Å; F356-I610 HydrophobicContact CG-CG1 4.33Å; F356-I610 HydrophobicContact CZ-CB 4.21Å; F356-I610 HydrophobicContact CZ-CD1 3.71Å; F356-I610 HydrophobicContact CZ-CG1 4.3Å; L437-I610 HydrophobicContact CD1-CD1 4.17Å; L437-I610 HydrophobicContact CD2-CD1 4Å; L437-I610 HydrophobicContact CD2-CG1 3.99Å; C462-I610 HydrophobicContact CB-CD1 3.47Å; C462-I610 VanDerWaalsContact CB-CD1 3.47Å; Q605-I610 HydrophobicContact CB-CG2 3.95Å; Q605-I610 WeakPolarHBondContact O-CG2 3.18Å; Q605-I610 PolarHBondContact O-N 3.44Å; S608-I610 VanDerWaalsContact C-N 3.34Å; S608-I610 PolarHBondContact O-N 2.87Å; S608-I610 PolarHBondContact OG-N 2.97Å; I610-K612 PolarHBondContact O-N 2.63Å; I610-K612 VanDerWaalsContact O-N 3.09Å; I610-M613 WeakPolarHBondContact O-CB 3.41Å; I610-M613 PolarHBondContact O-N 3.22Å |
| 611 | A | 86.1 | Confident | 84.5 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -16.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q605 F606 R609 | Q605-A611 HydrophobicContact CB-CB 4.23Å; Q605-A611 HydrophobicContact CG-CB 4.25Å; Q605-A611 WeakPolarHBondContact O-CB 3.31Å; Q605-A611 PolarHBondContact O-N 2.97Å; Q605-A611 VanDerWaalsContact O-N 3.07Å; F606-A611 HydrophobicContact CD1-CB 4.04Å; F606-A611 HydrophobicContact CE1-CB 4.12Å; R609-A611 VanDerWaalsContact C-N 3.28Å; R609-A611 PolarHBondContact O-N 2.65Å |
| 612 | K | 82.1 | Confident | 84.4 | Confident | 158 Ų | 158 | 76.6 Ų | 76.6 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -100.5 | -9.5 | 176.6 | -71.3 | -169.4 | 175.1 | -172.3 | 0 | 112.9 | R609 I610 | R609-K612 PolarHBondContact O-N 3.1Å; I610-K612 PolarHBondContact O-N 2.63Å; I610-K612 VanDerWaalsContact O-N 3.09Å |
| 613 | M | 77.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.1 | -40.6 | -171.8 | -140.8 | 177.9 | 43.4 | 0 | 0 | 110.5 | F356 M434 L437 R609 I610 | F356-M613 HydrophobicContact CB-CE 4.28Å; F356-M613 HydrophobicContact CB-SD 3.65Å; F356-M613 HydrophobicContact CD1-CE 3.81Å; F356-M613 HydrophobicContact CD1-SD 4.23Å; F356-M613 HydrophobicContact CG-CE 4.48Å; F356-M613 HydrophobicContact CG-SD 4.43Å; M434-M613 HydrophobicContact CB-CE 4.36Å; M434-M613 HydrophobicContact CB-SD 4.41Å; M434-M613 HydrophobicContact CE-CB 3.77Å; M434-M613 HydrophobicContact CE-CE 3.96Å; M434-M613 HydrophobicContact CE-CG 3.44Å; M434-M613 VanDerWaalsContact CE-CG 3.44Å; M434-M613 WeakPolarHBondContact CE-O 3.48Å; M434-M613 HydrophobicContact CE-SD 4.19Å; M434-M613 HydrophobicContact SD-CE 3.71Å; M434-M613 HydrophobicContact SD-CG 4.44Å; L437-M613 HydrophobicContact CB-CE 3.75Å; L437-M613 HydrophobicContact CD2-CE 3.12Å; L437-M613 HydrophobicContact CG-CE 4.02Å; R609-M613 PolarHBondContact O-N 3.2Å; I610-M613 WeakPolarHBondContact O-CB 3.41Å; I610-M613 PolarHBondContact O-N 3.22Å |
| 614 | E | 67.5 | Low | 84.2 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -108.1 | 105.7 | 176.4 | -63.9 | -179.2 | 133 | 0 | 0 | 108.9 | M434 Q438 R441 N616 R626 | M434-E614 HydrophobicContact CE-CG 3.47Å; M434-E614 VanDerWaalsContact CE-CG 3.47Å; M434-E614 HydrophobicContact SD-CG 3.66Å; Q438-E614 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E614 PolarHBondContact NE2-OE1 2.92Å; R441-E614 IonicContact CZ-OE1 3.19Å; R441-E614 IonicContact CZ-OE2 3.81Å; R441-E614 VanDerWaalsContact CZ-OE2 3.24Å; R441-E614 IonicContact NH1-OE1 2.84Å; R441-E614 IonicContact NH1-OE2 3.81Å; R441-E614 PolarHBondContact NH1-OE2 3.44Å; R441-E614 VanDerWaalsContact NH2-CD 3.27Å; R441-E614 IonicContact NH2-OE1 2.68Å; R441-E614 PolarHBondContact NH2-OE1 2.81Å; R441-E614 IonicContact NH2-OE2 2.85Å; R441-E614 PolarHBondContact NH2-OE2 2.96Å; E614-N616 VanDerWaalsContact C-N 3.33Å; E614-N616 PolarHBondContact O-N 3.16Å; E614-R626 VanDerWaalsContact OE2-CD 3.25Å; E614-R626 WeakPolarHBondContact OE2-CD 3.44Å; E614-R626 IonicContact OE2-NE 3.98Å |
| 615 | K | 60.3 | Low | 83.8 | Confident | 206 Ų | 206 | 73.8 Ų | 73.8 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | trans | -69.6 | 82.3 | -178.4 | -72.5 | -176.5 | 180 | 178.4 | 0 | 111.4 | ||||
| 616 | N | 64.9 | Low | 83.7 | Confident | 89 Ų | 89 | 74.9 Ų | 74.9 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -119 | 143.9 | 172.9 | -66 | -7 | 0 | 0 | 0 | 110.6 | E614 E618 R626 | E614-N616 VanDerWaalsContact C-N 3.33Å; E614-N616 PolarHBondContact O-N 3.16Å; N616-E618 HydrophobicContact CB-CG 4.12Å; N616-E618 WeakPolarHBondContact CB-OE2 2.97Å; N616-E618 PolarHBondContact ND2-OE2 2.79Å; N616-E618 PolarHBondContact O-N 2.8Å; N616-R626 PolarHBondContact ND2-NH1 2.97Å | ||
| 617 | N | 74.4 | Confident | 83.3 | Confident | 178 Ų | 178 | 69.9 Ų | 69.9 | 95% | 0.952 | 36% | 0.358 | S | S | * | . | trans | -78.7 | 27.9 | 176 | -75.6 | -13.1 | 0 | 0 | 0 | 113 | ||||
| 618 | E | 83.3 | Confident | 82.5 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | trans | -82.5 | 140.8 | -178.2 | -66.1 | 164 | 111.5 | 0 | 0 | 111 | V455 N616 R626 | V455-E618 HydrophobicContact CG2-CB 4Å; N616-E618 HydrophobicContact CB-CG 4.12Å; N616-E618 WeakPolarHBondContact CB-OE2 2.97Å; N616-E618 PolarHBondContact ND2-OE2 2.79Å; N616-E618 PolarHBondContact O-N 2.8Å; E618-R626 IonicContact OE1-NH1 3.87Å; E618-R626 IonicContact OE2-CZ 3.63Å; E618-R626 IonicContact OE2-NH1 2.95Å; E618-R626 PolarHBondContact OE2-NH1 3.43Å | ||
| 619 | K | 85.4 | Confident | 81.2 | Confident | 146 Ų | 146 | 79 Ų | 79 | 64% | 0.635 | 40% | 0.402 | S | S | * | . | trans | -82.3 | 154.2 | 172.3 | -58.3 | 176.2 | -179.2 | 174.3 | 0 | 109.8 | S621 D622 | K619-S621 PolarHBondContact O-N 3.31Å; K619-S621 VanDerWaalsContact O-N 3.13Å; K619-D622 WeakPolarHBondContact CB-OD2 3.36Å; K619-D622 PolarHBondContact N-OD2 3.32Å; K619-D622 WeakPolarHBondContact O-CB 3.18Å; K619-D622 PolarHBondContact O-N 2.87Å | ||
| 620 | A | 84.2 | Confident | 79.3 | Confident | 46 Ų | 46 | 79.1 Ų | 79.1 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L456 | L456-A620 HydrophobicContact CB-CB 4.18Å; L456-A620 WeakPolarHBondContact CB-O 3.37Å; L456-A620 PolarHBondContact N-O 3.22Å |
| 621 | S | 88.9 | Confident | 77.1 | Confident | 93 Ų | 93 | 80.9 Ų | 80.9 | 65% | 0.65 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.7 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | K619 | K619-S621 PolarHBondContact O-N 3.31Å; K619-S621 VanDerWaalsContact O-N 3.13Å |
| 622 | D | 90.4 | Very high | 74.8 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -71.5 | 148.5 | -176.3 | -62.9 | -13.9 | 0 | 0 | 0 | 109.8 | T454 V455 K619 C624 | T454-D622 CarbonylContact C-O 3.46Å; T454-D622 VanDerWaalsContact CA-O 3.25Å; T454-D622 WeakPolarHBondContact CA-O 3.46Å; V455-D622 PolarHBondContact N-O 3.4Å; K619-D622 WeakPolarHBondContact CB-OD2 3.36Å; K619-D622 PolarHBondContact N-OD2 3.32Å; K619-D622 WeakPolarHBondContact O-CB 3.18Å; K619-D622 PolarHBondContact O-N 2.87Å; D622-C624 PolarHBondContact O-N 3.48Å |
| 623 | K | 89.2 | Confident | 72.8 | Confident | 113 Ų | 113 | 85.8 Ų | 85.8 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 125.8 | 173.3 | -161.7 | -176.8 | -164.4 | -178.6 | 0 | 109.1 | D453 G625 | D453-K623 WeakPolarHBondContact OD2-CE 3.4Å; D453-K623 IonicContact OD2-NZ 3.66Å; K623-G625 PolarHBondContact O-N 2.88Å |
| 624 | C | 88.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.007 | 46% | 0.464 | C | S | . | . | trans | -82.2 | 105.6 | -176.8 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | D453 V455 D458 D622 R626 L627 | D453-C624 WeakPolarHBondContact O-CB 3.38Å; D453-C624 PolarHBondContact O-N 2.92Å; V455-C624 HydrophobicContact CG2-CB 4.05Å; D458-C624 HydrophobicContact CB-CB 4.3Å; D622-C624 PolarHBondContact O-N 3.48Å; C624-R626 PolarHBondContact O-N 3.31Å; C624-R626 VanDerWaalsContact O-N 3.16Å; C624-R626 VanDerWaalsContact SG-CZ 3.55Å; C624-R626 PolarHBondContact SG-NH2 3.43Å; C624-R626 VanDerWaalsContact SG-NH2 3.39Å; C624-L627 HydrophobicContact CB-CD1 4.01Å; C624-L627 HydrophobicContact CB-CG 4.06Å; C624-L627 PolarHBondContact O-N 2.87Å | ||
| 625 | G | 84.9 | Confident | 69.3 | Low | 42 Ų | 42 | 91.4 Ų | 91.4 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -60.4 | -23.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K623 L627 Q628 | K623-G625 PolarHBondContact O-N 2.88Å; G625-L627 VanDerWaalsContact C-N 3.29Å; G625-L627 PolarHBondContact O-N 2.92Å; G625-Q628 WeakPolarHBondContact O-CB 3.26Å; G625-Q628 PolarHBondContact O-N 2.83Å |
| 626 | R | 87.1 | Confident | 68 | Low | 41 Ų | 41 | 85 Ų | 85 | 16% | 0.155 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -74.3 | -16.9 | -177.8 | -54.5 | 178 | -64.7 | -87.2 | -0.5 | 114 | R441 D458 E614 N616 E618 C624 Q628 | R441-R626 VanDerWaalsContact NH1-CD 3.27Å; R441-R626 VanDerWaalsContact NH1-NE 3.19Å; D458-R626 IonicContact OD2-CZ 2.86Å; D458-R626 IonicContact OD2-NE 2.91Å; D458-R626 PolarHBondContact OD2-NE 2.84Å; D458-R626 IonicContact OD2-NH2 2.6Å; D458-R626 PolarHBondContact OD2-NH2 3.38Å; E614-R626 VanDerWaalsContact OE2-CD 3.25Å; E614-R626 WeakPolarHBondContact OE2-CD 3.44Å; E614-R626 IonicContact OE2-NE 3.98Å; N616-R626 PolarHBondContact ND2-NH1 2.97Å; E618-R626 IonicContact OE1-NH1 3.87Å; E618-R626 IonicContact OE2-CZ 3.63Å; E618-R626 IonicContact OE2-NH1 2.95Å; E618-R626 PolarHBondContact OE2-NH1 3.43Å; C624-R626 PolarHBondContact O-N 3.31Å; C624-R626 VanDerWaalsContact O-N 3.16Å; C624-R626 VanDerWaalsContact SG-CZ 3.55Å; C624-R626 PolarHBondContact SG-NH2 3.43Å; C624-R626 VanDerWaalsContact SG-NH2 3.39Å; R626-Q628 VanDerWaalsContact C-N 3.35Å |
| 627 | L | 84.3 | Confident | 66.7 | Low | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.016 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -87 | -6.1 | 174.6 | -64 | 178.4 | 0 | 0 | 0 | 112.6 | Q162 R441 C446 I449 D458 C624 G625 | Q162-L627 PolarHBondContact NE2-O 3.13Å; R441-L627 HydrophobicContact CG-CD2 4.31Å; C446-L627 HydrophobicContact CB-CD2 4.26Å; I449-L627 HydrophobicContact CD1-CD1 4.46Å; I449-L627 HydrophobicContact CD1-CD2 3.79Å; I449-L627 HydrophobicContact CG2-CD1 4.01Å; D458-L627 HydrophobicContact CB-CD1 3.98Å; D458-L627 HydrophobicContact CB-CD2 4.17Å; D458-L627 HydrophobicContact CB-CG 4.08Å; D458-L627 WeakPolarHBondContact OD1-CD2 3.2Å; C624-L627 HydrophobicContact CB-CD1 4.01Å; C624-L627 HydrophobicContact CB-CG 4.06Å; C624-L627 PolarHBondContact O-N 2.87Å; G625-L627 VanDerWaalsContact C-N 3.29Å; G625-L627 PolarHBondContact O-N 2.92Å |
| 628 | Q | 75.8 | Confident | 64.7 | Low | 103 Ų | 103 | 84.7 Ų | 84.7 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -85.6 | 124.7 | 178.6 | -60.4 | -179.2 | 7.9 | 0 | 0 | 110.2 | G625 R626 I630 | G625-Q628 WeakPolarHBondContact O-CB 3.26Å; G625-Q628 PolarHBondContact O-N 2.83Å; R626-Q628 VanDerWaalsContact C-N 3.35Å; Q628-I630 PolarHBondContact O-N 3.47Å |
| 629 | I | 64.5 | Low | 62.5 | Low | 88 Ų | 88 | 89.6 Ų | 89.6 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | trans | -75.5 | 110.9 | 166.4 | -68.4 | 171 | 0 | 0 | 0 | 107.3 | Q162 H447 S631 | Q162-I629 HydrophobicContact CB-CD1 4.22Å; Q162-I629 HydrophobicContact CG-CD1 4.35Å; H447-I629 WeakPolarHBondContact CE1-CD1 3.39Å; I629-S631 PolarHBondContact O-N 3.34Å | ||
| 630 | I | 53.4 | Low | 60.1 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 60% | 0.595 | 48% | 0.477 | S | S | * | . | trans | -72.3 | 112.3 | 166.1 | -57 | 173.2 | 0 | 0 | 0 | 105.5 | Q628 L632 N634 L635 | Q628-I630 PolarHBondContact O-N 3.47Å; I630-L632 PolarHBondContact O-N 2.87Å; I630-N634 HydrophobicContact CG2-CB 4.04Å; I630-L635 HydrophobicContact CG2-CD1 4.36Å | ||
| 631 | S | 45.5 | Very low | 57.9 | Low | 47 Ų | 47 | 93.8 Ų | 93.8 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | trans | -56.4 | 137 | 170.3 | 66.7 | 0 | 0 | 0 | 0 | 108.4 | I629 E633 N634 | I629-S631 PolarHBondContact O-N 3.34Å; S631-E633 PolarHBondContact O-N 3.38Å; S631-N634 PolarHBondContact O-N 3.14Å; S631-N634 PolarHBondContact OG-ND2 3.27Å | ||
| 632 | L | 39.2 | Very low | 55.6 | Low | 149 Ų | 149 | 98.3 Ų | 98.3 | 78% | 0.78 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.7 | -21.1 | 177.3 | -85.1 | 142.6 | 0 | 0 | 0 | 112.6 | I630 N634 L635 | I630-L632 PolarHBondContact O-N 2.87Å; L632-N634 VanDerWaalsContact C-N 3.35Å; L632-N634 PolarHBondContact O-N 3.2Å; L632-L635 PolarHBondContact O-N 3.17Å |
| 633 | E | 38.7 | Very low | 52.9 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -31.9 | 173.3 | -67.1 | 176.7 | 156.7 | 0 | 0 | 113.6 | S631 L635 S636 | S631-E633 PolarHBondContact O-N 3.38Å; E633-L635 VanDerWaalsContact C-N 3.34Å; E633-S636 PolarHBondContact O-N 2.75Å |
| 634 | N | 36.6 | Very low | 51.1 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.4 | -15.9 | 179.4 | -76.8 | -29.5 | 0 | 0 | 0 | 113.6 | I630 S631 L632 | I630-N634 HydrophobicContact CG2-CB 4.04Å; S631-N634 PolarHBondContact O-N 3.14Å; S631-N634 PolarHBondContact OG-ND2 3.27Å; L632-N634 VanDerWaalsContact C-N 3.35Å; L632-N634 PolarHBondContact O-N 3.2Å |
| 635 | L | 36.8 | Very low | 49.1 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.1 | -24.5 | 172.9 | -91.7 | 145.1 | 0 | 0 | 0 | 112.4 | I630 L632 E633 | I630-L635 HydrophobicContact CG2-CD1 4.36Å; L632-L635 PolarHBondContact O-N 3.17Å; E633-L635 VanDerWaalsContact C-N 3.34Å |
| 636 | S | 32.9 | Very low | 47.1 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.2 | -39.7 | 174.4 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | E633 Q638 K639 E640 | E633-S636 PolarHBondContact O-N 2.75Å; S636-Q638 PolarHBondContact O-N 3.08Å; S636-K639 PolarHBondContact O-N 3.12Å; S636-E640 PolarHBondContact O-N 3.02Å |
| 637 | I | 37 | Very low | 44.8 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 55% | 0.554 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.1 | -32.1 | -175.6 | -60.2 | 172 | 0 | 0 | 0 | 111.8 | K639 T641 | I637-K639 VanDerWaalsContact C-N 3.33Å; I637-K639 PolarHBondContact O-N 3.26Å; I637-T641 PolarHBondContact O-OG1 3.01Å |
| 638 | Q | 32.9 | Very low | 42.3 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.6 | -15.4 | 176 | -80.4 | -169.4 | -10.6 | 0 | 0 | 114.4 | S636 | S636-Q638 PolarHBondContact O-N 3.08Å |
| 639 | K | 35.6 | Very low | 40.1 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 74% | 0.735 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -86.7 | -20.4 | 173.5 | -82.7 | -174 | 174.9 | -178.8 | 0 | 113.3 | S636 I637 | S636-K639 PolarHBondContact O-N 3.12Å; I637-K639 VanDerWaalsContact C-N 3.33Å; I637-K639 PolarHBondContact O-N 3.26Å |
| 640 | E | 34.9 | Very low | 38.3 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -90.9 | -10.6 | 178.4 | -74.4 | -176.9 | 163.1 | 0 | 0 | 114.3 | S636 | S636-E640 PolarHBondContact O-N 3.02Å |
| 641 | T | 37.9 | Very low | 37.2 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -94 | 8 | 174.9 | 14.6 | 0 | 0 | 0 | 0 | 114.4 | I637 | I637-T641 PolarHBondContact O-OG1 3.01Š|
| 642 | K | 41 | Very low | 36.5 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -127.2 | 61.9 | 169.5 | -77.4 | -171.3 | 177.4 | -178.5 | 0 | 110.7 | ||||
| 643 | L | 34.3 | Very low | 36.2 | Very low | 229 Ų | 229 | 139.2 Ų | 139.2 | 100% | 1.199 | 70% | 0.697 | S | S | * | * | trans | -133.2 | 0 | 156.8 | -97 | 160.9 | 0 | 0 | 0 | 109 |
Retrieved 643 of 643 residues in 4237.2 ms
(Link to these results)