| 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 | E | 65.6 | Low | 93.2 | Very high | 207 Ų | 207 | 40.5 Ų | 40.5 | 97% | 0.967 | 20% | 0.198 | S | C | * | . | 0 | 165.7 | 0 | -73.4 | 166.7 | 131.9 | 0 | 0 | 109 | |||||
| 2 | L | 81.4 | Confident | 93.5 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | trans | -80.8 | 139.8 | 172 | -66.9 | 171.4 | 0 | 0 | 0 | 109.1 | L4 F108 T197 K199 | L2-L4 HydrophobicContact CB-CD1 3.54Å; L2-L4 WeakPolarHBondContact O-CD1 3.31Å; L2-F108 HydrophobicContact CD2-CE1 4.27Å; L2-F108 HydrophobicContact CD2-CZ 3.74Å; L2-T197 HydrophobicContact CB-CG2 4.14Å; L2-T197 HydrophobicContact CD1-CG2 4.2Å; L2-T197 HydrophobicContact CD2-CG2 4.4Å; L2-T197 HydrophobicContact CG-CG2 4.49Å; L2-K199 HydrophobicContact CD2-CB 3.75Å; L2-K199 HydrophobicContact CD2-CD 4.14Å; L2-K199 HydrophobicContact CD2-CG 4.02Å | ||
| 3 | C | 90.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.6 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | V198 E210 H214 | C3-V198 PolarHBondContact N-O 3.18Å; C3-V198 VanDerWaalsContact N-O 3.17Å; C3-V198 PolarHBondContact O-N 2.81Å; C3-E210 HydrophobicContact CB-CB 4.08Å; C3-E210 HydrophobicContact CB-CG 4.4Å; C3-H214 PolarHBondContact O-NE2 2.7Å; C3-H214 PolarHBondContact SG-CD2 3.31Å; C3-H214 PolarHBondContact SG-NE2 2.95Å; C3-H214 VanDerWaalsContact SG-NE2 3.4Å |
| 4 | L | 97.1 | Very high | 94 | Very high | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.5 | -177.5 | -74.7 | 77.5 | 0 | 0 | 0 | 111.9 | L2 I132 V136 L195 V196 T197 | L2-L4 HydrophobicContact CB-CD1 3.54Å; L2-L4 WeakPolarHBondContact O-CD1 3.31Å; L4-I132 HydrophobicContact CD2-CG2 3.98Å; L4-V136 HydrophobicContact CB-CG2 3.89Å; L4-V136 HydrophobicContact CD2-CG2 4.24Å; L4-L195 HydrophobicContact CD2-CD1 4.36Å; L4-V196 VanDerWaalsContact CA-O 3.3Å; L4-V196 WeakPolarHBondContact CA-O 3.49Å; L4-T197 HydrophobicContact CD1-CG2 3.85Å; L4-T197 HydrophobicContact CG-CG2 4.02Å |
| 5 | K | 98.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 34 Ų | 34 | 22% | 0.222 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.7 | 168.7 | -59.5 | -172.9 | -171.9 | 175 | 0 | 109.5 | A137 V139 V196 H214 | K5-A137 CarbonylContact C-O 3.52Å; K5-A137 WeakPolarHBondContact CA-O 3.23Å; K5-A137 HydrophobicContact CG-CB 4.29Å; K5-V139 HydrophobicContact CB-CG2 4.35Å; K5-V139 HydrophobicContact CD-CG2 4.33Å; K5-V196 PolarHBondContact N-O 3.06Å; K5-V196 PolarHBondContact O-N 2.65Å; K5-H214 HydrophobicContact CD-CB 3.95Å |
| 6 | Q | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 109.5 | 175.2 | -170.4 | -176.6 | -100.2 | 0 | 0 | 110 | R8 H126 V136 A137 V138 V139 K194 L195 | Q6-R8 VanDerWaalsContact NE2-NE 3.12Å; Q6-H126 PolarHBondContact OE1-ND1 3.02Å; Q6-V136 HydrophobicContact CB-CG1 4.05Å; Q6-A137 PolarHBondContact N-O 3.18Å; Q6-V138 WeakPolarHBondContact O-CA 3.17Å; Q6-V139 PolarHBondContact O-N 2.79Å; Q6-K194 CarbonylContact C-O 3.51Å; Q6-K194 WeakPolarHBondContact CA-O 3.49Å; Q6-L195 HydrophobicContact CB-CD1 4.08Å |
| 7 | N | 98.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.9 | 174 | -62.1 | -86.9 | 0 | 0 | 0 | 109.5 | V139 I141 K194 F221 | N7-V139 CarbonylContact C-O 3.59Å; N7-V139 VanDerWaalsContact CA-O 3.25Å; N7-V139 WeakPolarHBondContact CA-O 3.48Å; N7-V139 WeakPolarHBondContact OD1-CB 3.23Å; N7-V139 WeakPolarHBondContact OD1-CG1 3.46Å; N7-I141 HydrophobicContact CB-CD1 4.02Å; N7-K194 HydrophobicContact CB-CB 4.35Å; N7-K194 PolarHBondContact N-O 3.12Å; N7-K194 PolarHBondContact O-N 3.13Å; N7-F221 HydrophobicContact CB-CD2 3.86Å; N7-F221 HydrophobicContact CB-CE2 4.17Å |
| 8 | R | 98.7 | Very high | 94.9 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.9 | 177.1 | -67.2 | -174.6 | -179.6 | 165.4 | 7.9 | 109.2 | Q6 G120 Q122 E123 V138 V139 I141 A192 Y193 | Q6-R8 VanDerWaalsContact NE2-NE 3.12Å; R8-G120 WeakPolarHBondContact CD-O 3.27Å; R8-G120 PolarHBondContact NH1-O 3Å; R8-Q122 PolarHBondContact NH2-O 3.31Å; R8-E123 IonicContact CZ-OE1 3.95Å; R8-E123 VanDerWaalsContact CZ-OE1 3.29Å; R8-E123 IonicContact NH1-OE1 3.48Å; R8-E123 PolarHBondContact NH1-OE1 2.78Å; R8-E123 IonicContact NH2-OE1 3.65Å; R8-E123 PolarHBondContact NH2-OE1 2.87Å; R8-E123 IonicContact NH2-OE2 3.8Å; R8-E123 PolarHBondContact NH2-OE2 3.08Å; R8-E123 VanDerWaalsContact NH2-OE2 3.08Å; R8-V138 HydrophobicContact CG-CG1 4.11Å; R8-V139 PolarHBondContact N-O 2.95Å; R8-I141 PolarHBondContact O-N 2.91Å; R8-A192 WeakPolarHBondContact CA-O 3.25Å; R8-Y193 HydrophobicContact CG-CD1 3.95Å; R8-Y193 HydrophobicContact CG-CE1 4.17Å |
| 9 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 104.3 | 178.8 | -161.4 | 0 | 0 | 0 | 0 | 109.1 | L11 I141 I143 C191 A192 H225 | V9-L11 HydrophobicContact CG1-CD2 3.96Å; V9-L11 HydrophobicContact CG1-CG 4.2Å; V9-I141 HydrophobicContact CG1-CB 4.46Å; V9-I141 HydrophobicContact CG1-CG2 4.31Å; V9-I141 HydrophobicContact CG2-CB 4.09Å; V9-I141 HydrophobicContact CG2-CD1 4.06Å; V9-I141 HydrophobicContact CG2-CG1 4.49Å; V9-I141 HydrophobicContact CG2-CG2 4.49Å; V9-I143 HydrophobicContact CG1-CG2 4.12Å; V9-C191 CarbonylContact O-C 3.2Å; V9-C191 WeakPolarHBondContact O-CA 3.36Å; V9-A192 HydrophobicContact CB-CB 4.33Å; V9-A192 PolarHBondContact N-O 3.35Å; V9-A192 PolarHBondContact O-N 3.41Å; V9-H225 HydrophobicContact CG1-CB 3.96Å |
| 10 | V | 98.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 140.2 | 171.5 | 176 | 0 | 0 | 0 | 0 | 108.4 | M119 W177 L181 M190 C191 | V10-M119 HydrophobicContact CG1-CE 3.66Å; V10-M119 HydrophobicContact CG1-SD 3.96Å; V10-M119 WeakPolarHBondContact CG2-O 3.46Å; V10-W177 HydrophobicContact CB-CH2 4.34Å; V10-W177 HydrophobicContact CG1-CH2 4.05Å; V10-W177 HydrophobicContact CG1-CZ3 4.34Å; V10-W177 WeakPolarHBondContact O-CH2 3.38Å; V10-L181 HydrophobicContact CG1-CD2 4.36Å; V10-M190 WeakPolarHBondContact CA-O 3.38Å; V10-C191 HydrophobicContact CG2-CB 4.29Å |
| 11 | L | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.2 | -177.4 | -61.7 | 168.9 | 0 | 0 | 0 | 111.9 | V9 C13 Y18 I143 M190 H225 | V9-L11 HydrophobicContact CG1-CD2 3.96Å; V9-L11 HydrophobicContact CG1-CG 4.2Å; L11-C13 PolarHBondContact O-N 3.45Å; L11-Y18 HydrophobicContact CD1-CD2 3.42Å; L11-Y18 VanDerWaalsContact CD1-CD2 3.42Å; L11-Y18 HydrophobicContact CD1-CE2 3.28Å; L11-I143 HydrophobicContact CD2-CD1 3.82Å; L11-I143 HydrophobicContact CD2-CG2 4.26Å; L11-M190 HydrophobicContact CB-CG 4.2Å; L11-M190 HydrophobicContact CB-SD 4.47Å; L11-M190 HydrophobicContact CD1-CE 4.28Å; L11-M190 HydrophobicContact CD1-SD 4.03Å; L11-M190 PolarHBondContact N-O 2.55Å; L11-M190 PolarHBondContact O-N 3.37Å; L11-H225 HydrophobicContact CD2-CB 4.12Å |
| 12 | P | 97.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -82.8 | 53.4 | 174.5 | 37.3 | -37.8 | 0 | 0 | 0 | 111.6 | R170 L173 W177 L181 P188 F229 | P12-R170 WeakPolarHBondContact O-CD 3.32Å; P12-R170 PolarHBondContact O-NH1 3.11Å; P12-L173 HydrophobicContact CG-CD1 4.36Å; P12-L173 HydrophobicContact CG-CD2 4.21Å; P12-W177 HydrophobicContact CB-CZ3 4.33Å; P12-W177 HydrophobicContact CG-CZ3 4.29Å; P12-L181 HydrophobicContact CB-CD1 4.36Å; P12-L181 HydrophobicContact CB-CD2 4.08Å; P12-P188 CarbonylContact C-O 2.92Å; P12-P188 VanDerWaalsContact C-O 3.28Å; P12-F229 HydrophobicContact CB-CE2 4.43Å; P12-F229 HydrophobicContact CG-CD2 3.57Å; P12-F229 HydrophobicContact CG-CE2 3.33Å; P12-F229 HydrophobicContact CG-CZ 4.26Å |
| 13 | C | 96.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -143.8 | 165.2 | 173.9 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | L11 E17 P188 K189 M190 | L11-C13 PolarHBondContact O-N 3.45Å; C13-E17 VanDerWaalsContact CA-OE2 3.24Å; C13-E17 WeakPolarHBondContact CA-OE2 3.36Å; C13-E17 HydrophobicContact CB-CB 4.12Å; C13-E17 WeakPolarHBondContact CB-OE2 3.27Å; C13-P188 PolarHBondContact N-O 3.43Å; C13-P188 CarbonylContact O-C 3.59Å; C13-K189 CarbonylContact O-C 3.57Å; C13-K189 WeakPolarHBondContact O-CA 3.21Å; C13-K189 PolarHBondContact O-N 3.16Å; C13-M190 WeakPolarHBondContact O-CG 3.42Å; C13-M190 PolarHBondContact O-N 2.63Å |
| 14 | S | 97.5 | Very high | 98 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | trans | -80.1 | 169.4 | 174.3 | 91 | 0 | 0 | 0 | 0 | 110.8 | E16 E17 Y18 | S14-E16 VanDerWaalsContact C-N 3.28Å; S14-E16 VanDerWaalsContact CB-OE2 3.26Å; S14-E16 WeakPolarHBondContact CB-OE2 3.43Å; S14-E16 PolarHBondContact OG-N 2.93Å; S14-E16 VanDerWaalsContact OG-N 3.16Å; S14-E16 PolarHBondContact OG-OE2 3.01Å; S14-E17 PolarHBondContact N-OE2 3.46Å; S14-E17 PolarHBondContact OG-N 3.17Å; S14-Y18 WeakPolarHBondContact O-CB 3.43Å; S14-Y18 PolarHBondContact O-N 2.81Å | ||
| 15 | I | 97.5 | Very high | 98 | Very high | 34 Ų | 34 | 22 Ų | 22 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -32.6 | 173.2 | 62 | 177.8 | 0 | 0 | 0 | 111 | Q19 Y91 P117 M190 | I15-Q19 PolarHBondContact O-N 2.53Å; I15-Y91 WeakPolarHBondContact CA-OH 3.43Å; I15-Y91 HydrophobicContact CB-CE1 4.43Å; I15-Y91 VanDerWaalsContact O-CE1 3.23Å; I15-Y91 WeakPolarHBondContact O-CE1 3.36Å; I15-Y91 PolarHBondContact O-OH 3.31Å; I15-P117 HydrophobicContact CG2-CB 4.25Å; I15-M190 HydrophobicContact CG2-CB 3.78Å |
| 16 | E | 97.4 | Very high | 97.9 | Very high | 119 Ų | 119 | 21.6 Ų | 21.6 | 56% | 0.556 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -69.7 | -45.7 | 177.3 | -58.2 | 73.2 | -159 | 0 | 0 | 110.8 | S14 Y18 Q19 | S14-E16 VanDerWaalsContact C-N 3.28Å; S14-E16 VanDerWaalsContact CB-OE2 3.26Å; S14-E16 WeakPolarHBondContact CB-OE2 3.43Å; S14-E16 PolarHBondContact OG-N 2.93Å; S14-E16 VanDerWaalsContact OG-N 3.16Å; S14-E16 PolarHBondContact OG-OE2 3.01Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 2.96Å; E16-Q19 WeakPolarHBondContact O-CB 3.25Å; E16-Q19 PolarHBondContact O-N 2.72Å |
| 17 | E | 98.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 22 Ų | 22 | 20% | 0.201 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.7 | -72.1 | 176.7 | 154.1 | 0 | 0 | 111.4 | C13 S14 Q19 V20 G21 R170 W235 | C13-E17 VanDerWaalsContact CA-OE2 3.24Å; C13-E17 WeakPolarHBondContact CA-OE2 3.36Å; C13-E17 HydrophobicContact CB-CB 4.12Å; C13-E17 WeakPolarHBondContact CB-OE2 3.27Å; S14-E17 PolarHBondContact N-OE2 3.46Å; S14-E17 PolarHBondContact OG-N 3.17Å; E17-Q19 VanDerWaalsContact C-N 3.26Å; E17-Q19 PolarHBondContact O-N 2.94Å; E17-V20 PolarHBondContact O-N 3.03Å; E17-G21 PolarHBondContact O-N 2.85Å; E17-R170 IonicContact OE1-CZ 3.42Å; E17-R170 IonicContact OE1-NH1 3.36Å; E17-R170 PolarHBondContact OE1-NH1 3.15Å; E17-R170 IonicContact OE1-NH2 3.11Å; E17-R170 PolarHBondContact OE1-NH2 2.83Å; E17-R170 IonicContact OE2-CZ 3.51Å; E17-R170 IonicContact OE2-NH1 2.74Å; E17-R170 PolarHBondContact OE2-NH1 3.14Å; E17-R170 IonicContact OE2-NH2 2.84Å; E17-R170 PolarHBondContact OE2-NH2 2.94Å; E17-W235 HydrophobicContact CB-CH2 4.25Å; E17-W235 HydrophobicContact CB-CZ3 3.96Å; E17-W235 VanDerWaalsContact O-CZ3 3.31Å; E17-W235 WeakPolarHBondContact O-CZ3 3.39Å |
| 18 | Y | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 179.3 | -175 | -90.8 | 0 | 0 | 0 | 112.3 | L11 S14 E16 V20 G21 Q22 Y91 H115 M190 K194 H225 L228 | L11-Y18 HydrophobicContact CD1-CD2 3.42Å; L11-Y18 VanDerWaalsContact CD1-CD2 3.42Å; L11-Y18 HydrophobicContact CD1-CE2 3.28Å; S14-Y18 WeakPolarHBondContact O-CB 3.43Å; S14-Y18 PolarHBondContact O-N 2.81Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 2.96Å; Y18-V20 VanDerWaalsContact C-N 3.29Å; Y18-V20 PolarHBondContact O-N 3.26Å; Y18-G21 PolarHBondContact O-N 3.29Å; Y18-Q22 HydrophobicContact CD1-CB 4.11Å; Y18-Q22 HydrophobicContact CE1-CB 3.76Å; Y18-Q22 HydrophobicContact CE1-CG 4.02Å; Y18-Q22 WeakPolarHBondContact O-CB 3.28Å; Y18-Q22 PolarHBondContact O-N 2.99Å; Y18-Y91 HydrophobicContact CD1-CE2 4.03Å; Y18-H115 AromaticContact CD1-CD2 3.54Å; Y18-H115 AromaticContact CD1-NE2 3.91Å; Y18-H115 AromaticContact CE1-CD2 3.2Å; Y18-H115 WeakPolarHBondContact CE1-CD2 3.45Å; Y18-H115 AromaticContact CE1-NE2 3.17Å; Y18-H115 WeakPolarHBondContact CE1-NE2 3.23Å; Y18-H115 AromaticContact CZ-CD2 3.97Å; Y18-H115 AromaticContact CZ-NE2 3.93Å; Y18-M190 VanDerWaalsContact CB-SD 3.54Å; Y18-M190 HydrophobicContact CD1-SD 4.22Å; Y18-M190 HydrophobicContact CD2-SD 3.62Å; Y18-M190 HydrophobicContact CE2-SD 4.37Å; Y18-M190 HydrophobicContact CG-SD 3.51Å; Y18-M190 VanDerWaalsContact CG-SD 3.51Å; Y18-K194 PolarHBondContact OH-NZ 2.87Å; Y18-H225 AromaticContact CE2-CD2 3.83Å; Y18-H225 AromaticContact CE2-NE2 3.85Å; Y18-H225 AromaticContact CZ-NE2 3.8Å; Y18-H225 PolarHBondContact OH-NE2 3.12Å; Y18-L228 HydrophobicContact CD2-CD1 4.08Å; Y18-L228 HydrophobicContact CE2-CD1 3.72Å |
| 19 | Q | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 23.5 Ų | 23.5 | 29% | 0.285 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58 | -44.5 | 177.8 | -172.2 | 177.9 | 8.8 | 0 | 0 | 111.4 | I15 E16 E17 L23 Y91 M240 | I15-Q19 PolarHBondContact O-N 2.53Å; E16-Q19 WeakPolarHBondContact O-CB 3.25Å; E16-Q19 PolarHBondContact O-N 2.72Å; E17-Q19 VanDerWaalsContact C-N 3.26Å; E17-Q19 PolarHBondContact O-N 2.94Å; Q19-L23 WeakPolarHBondContact O-CD1 3.13Å; Q19-L23 WeakPolarHBondContact O-CG 3.47Å; Q19-Y91 HydrophobicContact CB-CD1 3.95Å; Q19-Y91 HydrophobicContact CB-CD2 4.41Å; Q19-Y91 HydrophobicContact CB-CE1 3.81Å; Q19-Y91 HydrophobicContact CB-CE2 4.29Å; Q19-Y91 HydrophobicContact CB-CG 4.25Å; Q19-Y91 HydrophobicContact CG-CD1 3.88Å; Q19-Y91 HydrophobicContact CG-CD2 4.23Å; Q19-Y91 HydrophobicContact CG-CE1 4.27Å; Q19-Y91 HydrophobicContact CG-CG 3.86Å; Q19-M240 HydrophobicContact CG-SD 4.22Å |
| 20 | V | 98.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 11% | 0.109 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.3 | -51.1 | 177 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | E17 Y18 Q22 L23 F24 L238 M240 I243 | E17-V20 PolarHBondContact O-N 3.03Å; Y18-V20 VanDerWaalsContact C-N 3.29Å; Y18-V20 PolarHBondContact O-N 3.26Å; V20-Q22 VanDerWaalsContact C-N 3.3Å; V20-Q22 PolarHBondContact O-N 3.22Å; V20-L23 PolarHBondContact O-N 3.12Å; V20-L23 VanDerWaalsContact O-N 3.17Å; V20-F24 PolarHBondContact O-N 3.25Å; V20-L238 HydrophobicContact CG1-CB 3.81Å; V20-L238 WeakPolarHBondContact CG1-O 3.17Å; V20-M240 HydrophobicContact CG2-SD 4.22Å; V20-I243 HydrophobicContact CG1-CD1 3.88Å; V20-I243 HydrophobicContact CG1-CG1 3.89Å |
| 21 | G | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E17 Y18 S25 W235 | E17-G21 PolarHBondContact O-N 2.85Å; Y18-G21 PolarHBondContact O-N 3.29Å; G21-S25 WeakPolarHBondContact O-CB 3.31Å; G21-S25 PolarHBondContact O-N 3.33Å; G21-S25 PolarHBondContact O-OG 3.31Å; G21-W235 VanDerWaalsContact CA-CE3 3.47Å |
| 22 | Q | 98.2 | Very high | 96 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 175 | -176.1 | -173.9 | 17 | 0 | 0 | 111.2 | Y18 V20 S25 V26 F224 L228 | Y18-Q22 HydrophobicContact CD1-CB 4.11Å; Y18-Q22 HydrophobicContact CE1-CB 3.76Å; Y18-Q22 HydrophobicContact CE1-CG 4.02Å; Y18-Q22 WeakPolarHBondContact O-CB 3.28Å; Y18-Q22 PolarHBondContact O-N 2.99Å; V20-Q22 VanDerWaalsContact C-N 3.3Å; V20-Q22 PolarHBondContact O-N 3.22Å; Q22-S25 PolarHBondContact O-N 2.88Å; Q22-V26 HydrophobicContact CG-CG2 4.42Å; Q22-V26 WeakPolarHBondContact O-CB 3.4Å; Q22-V26 VanDerWaalsContact O-CG2 3.25Å; Q22-V26 WeakPolarHBondContact O-CG2 3.24Å; Q22-V26 PolarHBondContact O-N 3.12Å; Q22-F224 HydrophobicContact CG-CE1 4.33Å; Q22-F224 HydrophobicContact CG-CZ 4.08Å; Q22-L228 HydrophobicContact CB-CD1 4.46Å |
| 23 | L | 97.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | -176.9 | -65.4 | 172.1 | 0 | 0 | 0 | 111.4 | Q19 V20 V26 A27 M240 I243 | Q19-L23 WeakPolarHBondContact O-CD1 3.13Å; Q19-L23 WeakPolarHBondContact O-CG 3.47Å; V20-L23 PolarHBondContact O-N 3.12Å; V20-L23 VanDerWaalsContact O-N 3.17Å; L23-V26 PolarHBondContact O-N 3.41Å; L23-A27 PolarHBondContact O-N 3.24Å; L23-A27 VanDerWaalsContact O-N 3.13Å; L23-M240 HydrophobicContact CD1-CE 3.61Å; L23-M240 HydrophobicContact CD1-SD 4.16Å; L23-I243 HydrophobicContact CB-CG2 3.49Å; L23-I243 VanDerWaalsContact CB-CG2 3.49Å; L23-I243 HydrophobicContact CD1-CG2 3.69Å; L23-I243 HydrophobicContact CG-CG2 4.2Å |
| 24 | F | 97.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.7 | -51.7 | 171.4 | 175.8 | -85.9 | 0 | 0 | 0 | 111.4 | V20 V26 A27 E28 W231 K234 W235 L238 I243 M246 | V20-F24 PolarHBondContact O-N 3.25Å; F24-V26 VanDerWaalsContact C-N 3.3Å; F24-V26 PolarHBondContact O-N 3.15Å; F24-A27 WeakPolarHBondContact O-CB 3.48Å; F24-A27 PolarHBondContact O-N 2.99Å; F24-A27 VanDerWaalsContact O-N 3.11Å; F24-E28 HydrophobicContact CD1-CG 4.22Å; F24-E28 HydrophobicContact CE1-CG 3.67Å; F24-E28 HydrophobicContact CE2-CG 4.4Å; F24-E28 HydrophobicContact CZ-CG 3.76Å; F24-E28 PolarHBondContact O-N 3.27Å; F24-W231 HydrophobicContact CE1-CB 4.12Å; F24-W231 HydrophobicContact CE1-CE3 4.21Å; F24-K234 HydrophobicContact CE1-CB 3.99Å; F24-K234 HydrophobicContact CE1-CD 4.31Å; F24-K234 HydrophobicContact CE2-CB 4.15Å; F24-K234 HydrophobicContact CZ-CB 3.52Å; F24-K234 HydrophobicContact CZ-CD 3.96Å; F24-K234 HydrophobicContact CZ-CG 4.4Å; F24-W235 HydrophobicContact CB-CB 3.75Å; F24-W235 HydrophobicContact CB-CG 4.34Å; F24-W235 HydrophobicContact CD1-CB 3.84Å; F24-W235 AromaticContact CD1-CD1 3.68Å; F24-W235 HydrophobicContact CD1-CG 4.11Å; F24-W235 HydrophobicContact CD2-CB 3.88Å; F24-W235 HydrophobicContact CE1-CB 4.45Å; F24-W235 HydrophobicContact CE2-CB 4.46Å; F24-W235 HydrophobicContact CG-CB 3.54Å; F24-W235 HydrophobicContact CG-CG 4.23Å; F24-L238 HydrophobicContact CD2-CD1 3.66Å; F24-L238 HydrophobicContact CE2-CD1 4.22Å; F24-I243 HydrophobicContact CB-CD1 3.95Å; F24-M246 HydrophobicContact CD2-CE 3.45Å; F24-M246 VanDerWaalsContact CD2-CE 3.45Å; F24-M246 HydrophobicContact CD2-SD 3.94Å; F24-M246 HydrophobicContact CE2-CE 3.56Å; F24-M246 HydrophobicContact CE2-SD 4.29Å |
| 25 | S | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.8 | -32.1 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | G21 Q22 A29 L228 | G21-S25 WeakPolarHBondContact O-CB 3.31Å; G21-S25 PolarHBondContact O-N 3.33Å; G21-S25 PolarHBondContact O-OG 3.31Å; Q22-S25 PolarHBondContact O-N 2.88Å; S25-A29 WeakPolarHBondContact O-CB 3.42Å; S25-A29 PolarHBondContact O-N 2.82Å; S25-L228 WeakPolarHBondContact OG-CA 3.45Å |
| 26 | V | 95.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 28.4 Ų | 28.4 | 26% | 0.255 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 172.7 | 165.1 | 0 | 0 | 0 | 0 | 110.5 | Q22 L23 F24 S30 F224 | Q22-V26 HydrophobicContact CG-CG2 4.42Å; Q22-V26 WeakPolarHBondContact O-CB 3.4Å; Q22-V26 VanDerWaalsContact O-CG2 3.25Å; Q22-V26 WeakPolarHBondContact O-CG2 3.24Å; Q22-V26 PolarHBondContact O-N 3.12Å; L23-V26 PolarHBondContact O-N 3.41Å; F24-V26 VanDerWaalsContact C-N 3.3Å; F24-V26 PolarHBondContact O-N 3.15Å; V26-S30 VanDerWaalsContact O-CB 3.27Å; V26-S30 WeakPolarHBondContact O-CB 3.22Å; V26-S30 PolarHBondContact O-N 3.45Å; V26-S30 PolarHBondContact O-OG 3.41Å; V26-F224 HydrophobicContact CG2-CE2 3.74Å; V26-F224 HydrophobicContact CG2-CZ 3.84Å |
| 27 | A | 94.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 F24 S30 K31 T250 | L23-A27 PolarHBondContact O-N 3.24Å; L23-A27 VanDerWaalsContact O-N 3.13Å; F24-A27 WeakPolarHBondContact O-CB 3.48Å; F24-A27 PolarHBondContact O-N 2.99Å; F24-A27 VanDerWaalsContact O-N 3.11Å; A27-S30 WeakPolarHBondContact O-CB 3.47Å; A27-S30 PolarHBondContact O-N 3.4Å; A27-K31 WeakPolarHBondContact O-CG 3.19Å; A27-K31 PolarHBondContact O-N 2.85Å; A27-T250 HydrophobicContact CB-CG2 3.98Å |
| 28 | E | 94.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -44.3 | -179.3 | -68.3 | -65.2 | 109 | 0 | 0 | 112.6 | F24 S30 K31 N32 W231 | F24-E28 HydrophobicContact CD1-CG 4.22Å; F24-E28 HydrophobicContact CE1-CG 3.67Å; F24-E28 HydrophobicContact CE2-CG 4.4Å; F24-E28 HydrophobicContact CZ-CG 3.76Å; F24-E28 PolarHBondContact O-N 3.27Å; E28-S30 VanDerWaalsContact C-N 3.26Å; E28-S30 PolarHBondContact O-N 3.01Å; E28-K31 PolarHBondContact O-N 3.48Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 IonicContact OE1-NZ 2.63Å; E28-K31 PolarHBondContact OE1-NZ 3.22Å; E28-K31 VanDerWaalsContact OE1-NZ 3.11Å; E28-N32 PolarHBondContact O-N 3.12Å; E28-N32 VanDerWaalsContact O-N 3.08Å; E28-N32 PolarHBondContact O-ND2 3.35Å; E28-W231 HydrophobicContact CB-CE3 4.27Å; E28-W231 HydrophobicContact CB-CH2 4.04Å; E28-W231 HydrophobicContact CB-CZ3 3.7Å |
| 29 | A | 91.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S25 K31 N32 E33 F224 | S25-A29 WeakPolarHBondContact O-CB 3.42Å; S25-A29 PolarHBondContact O-N 2.82Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 2.73Å; A29-N32 PolarHBondContact O-N 2.94Å; A29-E33 WeakPolarHBondContact O-CG 3.27Å; A29-E33 PolarHBondContact O-N 3.44Å; A29-E33 VanDerWaalsContact O-N 3.09Å; A29-F224 HydrophobicContact CB-CD2 4.49Å |
| 30 | S | 91.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 112 | V26 A27 E28 E33 T34 I40 L254 | V26-S30 VanDerWaalsContact O-CB 3.27Å; V26-S30 WeakPolarHBondContact O-CB 3.22Å; V26-S30 PolarHBondContact O-N 3.45Å; V26-S30 PolarHBondContact O-OG 3.41Å; A27-S30 WeakPolarHBondContact O-CB 3.47Å; A27-S30 PolarHBondContact O-N 3.4Å; E28-S30 VanDerWaalsContact C-N 3.26Å; E28-S30 PolarHBondContact O-N 3.01Å; S30-E33 PolarHBondContact O-N 3.42Å; S30-T34 WeakPolarHBondContact O-CB 3.49Å; S30-T34 PolarHBondContact O-N 2.9Å; S30-T34 PolarHBondContact O-OG1 3.25Å; S30-I40 WeakPolarHBondContact OG-CD1 3.5Å; S30-L254 VanDerWaalsContact C-CD2 3.49Å; S30-L254 WeakPolarHBondContact O-CD2 3.47Å |
| 31 | K | 91.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 14% | 0.135 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 177.5 | -64.5 | 171.9 | -168.7 | -173.7 | 0 | 111.5 | A27 E28 A29 E33 T34 T250 E253 L254 L257 | A27-K31 WeakPolarHBondContact O-CG 3.19Å; A27-K31 PolarHBondContact O-N 2.85Å; E28-K31 PolarHBondContact O-N 3.48Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 IonicContact OE1-NZ 2.63Å; E28-K31 PolarHBondContact OE1-NZ 3.22Å; E28-K31 VanDerWaalsContact OE1-NZ 3.11Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 2.73Å; K31-E33 PolarHBondContact O-N 3.2Å; K31-T34 PolarHBondContact O-N 3.19Å; K31-T250 VanDerWaalsContact CE-OG1 3.27Å; K31-T250 WeakPolarHBondContact CE-OG1 3.35Å; K31-T250 HydrophobicContact CG-CG2 4.21Å; K31-E253 WeakPolarHBondContact CD-OE2 3.32Å; K31-E253 WeakPolarHBondContact CE-OE2 3.18Å; K31-E253 IonicContact NZ-OE2 2.68Å; K31-E253 PolarHBondContact NZ-OE2 2.93Å; K31-L254 HydrophobicContact CB-CD2 4.46Å; K31-L254 HydrophobicContact CG-CD2 4.05Å; K31-L257 HydrophobicContact CB-CD1 4.37Å |
| 32 | N | 89.3 | Confident | 92 | Very high | 65 Ų | 65 | 23.9 Ų | 23.9 | 35% | 0.348 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.6 | -28 | 177.8 | -69.7 | -22 | 0 | 0 | 0 | 112.9 | E28 A29 G265 | E28-N32 PolarHBondContact O-N 3.12Å; E28-N32 VanDerWaalsContact O-N 3.08Å; E28-N32 PolarHBondContact O-ND2 3.35Å; A29-N32 PolarHBondContact O-N 2.94Å; N32-G265 WeakPolarHBondContact O-CA 3.46Å |
| 33 | E | 88 | Confident | 91.9 | Very high | 48 Ų | 48 | 26 Ų | 26 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -0.1 | -179.6 | -67.7 | -60.2 | 154.1 | 0 | 0 | 114.5 | A29 S30 K31 G39 K67 G265 T266 | A29-E33 WeakPolarHBondContact O-CG 3.27Å; A29-E33 PolarHBondContact O-N 3.44Å; A29-E33 VanDerWaalsContact O-N 3.09Å; S30-E33 PolarHBondContact O-N 3.42Å; K31-E33 PolarHBondContact O-N 3.2Å; E33-G39 VanDerWaalsContact O-CA 3.26Å; E33-G39 WeakPolarHBondContact O-CA 3.46Å; E33-K67 PolarHBondContact O-NZ 3.37Å; E33-K67 IonicContact OE2-NZ 3.37Å; E33-K67 PolarHBondContact OE2-NZ 2.92Å; E33-G265 WeakPolarHBondContact OE2-CA 3.37Å; E33-T266 VanDerWaalsContact CD-N 3.25Å; E33-T266 WeakPolarHBondContact OE1-CB 3.3Å; E33-T266 PolarHBondContact OE1-N 2.97Å; E33-T266 PolarHBondContact OE1-OG1 3.35Å; E33-T266 PolarHBondContact OE2-N 3.11Å |
| 34 | T | 89.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -116.3 | 125.1 | -172.9 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | S30 K31 E38 I40 L254 L257 R258 R264 | S30-T34 WeakPolarHBondContact O-CB 3.49Å; S30-T34 PolarHBondContact O-N 2.9Å; S30-T34 PolarHBondContact O-OG1 3.25Å; K31-T34 PolarHBondContact O-N 3.19Å; T34-E38 WeakPolarHBondContact CA-O 3.5Å; T34-I40 PolarHBondContact OG1-N 3.38Å; T34-L254 HydrophobicContact CG2-CD2 4.14Å; T34-L257 HydrophobicContact CG2-CB 4.32Å; T34-R258 HydrophobicContact CG2-CB 3.82Å; T34-R258 HydrophobicContact CG2-CG 4.46Å; T34-R264 PolarHBondContact O-NE 2.84Å; T34-R264 PolarHBondContact O-NH2 3.3Å | ||
| 35 | G | 89.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | 175.2 | 149.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G37 E38 L257 E262 | G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 2.78Å; G35-E38 PolarHBondContact N-O 2.84Å; G35-E38 PolarHBondContact O-N 2.83Å; G35-E38 VanDerWaalsContact O-N 3.07Å; G35-L257 WeakPolarHBondContact CA-O 3.32Å; G35-E262 CarbonylContact C-O 3.53Å; G35-E262 WeakPolarHBondContact CA-O 3.22Å |
| 36 | G | 83.5 | Confident | 91.5 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 35.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E38 Q260 G261 E262 | G36-E38 VanDerWaalsContact C-N 3.35Å; G36-Q260 PolarHBondContact N-O 3.46Å; G36-G261 WeakPolarHBondContact CA-O 3.47Å; G36-E262 PolarHBondContact N-O 3.11Å |
| 37 | G | 83.5 | Confident | 91.5 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -9.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G35 R258 | G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 2.78Å; G37-R258 WeakPolarHBondContact CA-O 3.43Å; G37-R258 PolarHBondContact N-O 2.53Å |
| 38 | E | 88.5 | Confident | 91.6 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 164.7 | -177.8 | -68.1 | -169.8 | -132 | 0 | 0 | 112.6 | T34 G35 G36 H63 N65 S66 K67 V263 | T34-E38 WeakPolarHBondContact CA-O 3.5Å; G35-E38 PolarHBondContact N-O 2.84Å; G35-E38 PolarHBondContact O-N 2.83Å; G35-E38 VanDerWaalsContact O-N 3.07Å; G36-E38 VanDerWaalsContact C-N 3.35Å; E38-H63 WeakPolarHBondContact CA-O 3.36Å; E38-H63 WeakPolarHBondContact CB-O 3.37Å; E38-N65 HydrophobicContact CG-CB 4.3Å; E38-N65 PolarHBondContact OE2-N 2.85Å; E38-S66 WeakPolarHBondContact OE1-CB 3.4Å; E38-S66 PolarHBondContact OE1-N 2.99Å; E38-S66 PolarHBondContact OE1-OG 3.43Å; E38-S66 PolarHBondContact OE2-N 2.64Å; E38-S66 PolarHBondContact OE2-OG 3.32Å; E38-K67 WeakPolarHBondContact OE2-CG 3.38Å; E38-K67 PolarHBondContact OE2-N 2.7Å; E38-V263 HydrophobicContact CB-CG2 4.48Å; E38-V263 HydrophobicContact CG-CG2 4.4Å |
| 39 | G | 89.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.9 | -141.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E33 H63 | E33-G39 VanDerWaalsContact O-CA 3.26Å; E33-G39 WeakPolarHBondContact O-CA 3.46Å; G39-H63 PolarHBondContact N-O 2.85Å; G39-H63 PolarHBondContact O-N 2.75Å |
| 40 | I | 93.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.8 | -163.6 | -54.7 | -172.7 | 0 | 0 | 0 | 110.8 | S30 T34 V42 K60 I61 Y62 L254 | S30-I40 WeakPolarHBondContact OG-CD1 3.5Å; T34-I40 PolarHBondContact OG1-N 3.38Å; I40-V42 HydrophobicContact CG2-CG2 4.47Å; I40-K60 HydrophobicContact CG2-CB 4.34Å; I40-K60 HydrophobicContact CG2-CD 3.97Å; I40-I61 WeakPolarHBondContact CA-O 3.45Å; I40-Y62 HydrophobicContact CB-CD1 4.42Å; I40-Y62 HydrophobicContact CB-CE1 4.44Å; I40-Y62 HydrophobicContact CD1-CD1 4.28Å; I40-Y62 HydrophobicContact CD1-CE1 3.78Å; I40-Y62 HydrophobicContact CG1-CD1 3.82Å; I40-Y62 HydrophobicContact CG1-CE1 3.81Å; I40-Y62 HydrophobicContact CG2-CD1 4.29Å; I40-Y62 HydrophobicContact CG2-CE1 4.01Å; I40-L254 HydrophobicContact CG2-CD1 4.43Å |
| 41 | E | 93.8 | Very high | 91.6 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.7 | 170.1 | 172.9 | 175.7 | -167.1 | 0 | 0 | 109.4 | L43 K60 I61 H63 R258 | E41-L43 HydrophobicContact CG-CD2 4.05Å; E41-K60 CarbonylContact O-C 3.49Å; E41-K60 WeakPolarHBondContact O-CA 3.33Å; E41-K60 WeakPolarHBondContact O-CB 3.2Å; E41-I61 HydrophobicContact CB-CB 4.29Å; E41-I61 PolarHBondContact N-O 3.45Å; E41-I61 PolarHBondContact O-N 3.08Å; E41-H63 IonicContact OE2-CD2 3.72Å; E41-H63 IonicContact OE2-CE1 2.71Å; E41-H63 PolarHBondContact OE2-CE1 2.88Å; E41-H63 IonicContact OE2-NE2 2.64Å; E41-H63 PolarHBondContact OE2-NE2 3.32Å; E41-R258 IonicContact OE1-NH2 3.95Å; E41-R258 IonicContact OE2-CZ 3.52Å; E41-R258 IonicContact OE2-NE 2.78Å; E41-R258 IonicContact OE2-NH2 3.45Å; E41-R258 PolarHBondContact OE2-NH2 3.41Å |
| 42 | V | 94.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.2 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | I40 N45 K60 Q251 L254 | I40-V42 HydrophobicContact CG2-CG2 4.47Å; V42-N45 HydrophobicContact CG1-CB 4.32Å; V42-K60 HydrophobicContact CG2-CD 4.38Å; V42-K60 HydrophobicContact CG2-CG 4.22Å; V42-Q251 HydrophobicContact CB-CB 4.45Å; V42-Q251 HydrophobicContact CB-CG 4.05Å; V42-Q251 HydrophobicContact CG1-CG 4.42Å; V42-Q251 PolarHBondContact O-NE2 3.04Å; V42-L254 HydrophobicContact CG2-CD1 4Å |
| 43 | L | 94.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 38% | 0.382 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -39.6 | 178.8 | -63.9 | -174.8 | 0 | 0 | 0 | 112.6 | E41 H59 I61 | E41-L43 HydrophobicContact CG-CD2 4.05Å; L43-H59 WeakPolarHBondContact CA-O 3.4Å; L43-H59 HydrophobicContact CB-CB 4.48Å; L43-H59 WeakPolarHBondContact CB-O 3.36Å; L43-H59 PolarHBondContact N-O 3.43Å; L43-I61 HydrophobicContact CD1-CD1 3.52Å; L43-I61 HydrophobicContact CD1-CG1 3.8Å; L43-I61 HydrophobicContact CD2-CD1 4.32Å; L43-I61 HydrophobicContact CG-CD1 4.09Å; L43-I61 HydrophobicContact CG-CG1 4.18Å |
| 44 | K | 95.2 | Very high | 92 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.1 | 179.2 | -65.8 | 179.8 | 154.3 | -131.7 | 0 | 110.3 | E46 Y57 T58 H59 | K44-E46 IonicContact NZ-OE1 3.7Å; K44-E46 PolarHBondContact NZ-OE1 3.46Å; K44-Y57 HydrophobicContact CB-CD1 4.42Å; K44-Y57 HydrophobicContact CB-CE1 4.17Å; K44-Y57 HydrophobicContact CD-CD1 4.5Å; K44-Y57 HydrophobicContact CD-CE1 3.83Å; K44-T58 CarbonylContact O-C 3.56Å; K44-T58 VanDerWaalsContact O-CA 3.24Å; K44-T58 WeakPolarHBondContact O-CA 3.35Å; K44-H59 HydrophobicContact CB-CB 3.97Å; K44-H59 HydrophobicContact CD-CB 4.44Å; K44-H59 HydrophobicContact CG-CB 4.39Å; K44-H59 PolarHBondContact N-O 3.4Å; K44-H59 VanDerWaalsContact N-O 3.11Å; K44-H59 PolarHBondContact O-N 3.07Å |
| 45 | N | 94.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 93.9 | 166.8 | -178.6 | 12.3 | 0 | 0 | 0 | 107.4 | V42 Q56 Y57 T58 E247 | V42-N45 HydrophobicContact CG1-CB 4.32Å; N45-Q56 WeakPolarHBondContact OD1-CG 3.5Å; N45-Q56 PolarHBondContact OD1-NE2 3.27Å; N45-Y57 WeakPolarHBondContact CA-O 3.41Å; N45-T58 HydrophobicContact CB-CG2 4.33Å; N45-E247 PolarHBondContact ND2-OE2 3.08Å |
| 46 | E | 94.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.7 | -171.4 | 61.5 | -168.6 | 167.3 | 0 | 0 | 111.4 | K44 Y57 | K44-E46 IonicContact NZ-OE1 3.7Å; K44-E46 PolarHBondContact NZ-OE1 3.46Å; E46-Y57 HydrophobicContact CG-CD1 4.19Å; E46-Y57 PolarHBondContact N-O 3.21Å; E46-Y57 PolarHBondContact O-N 3.41Å |
| 47 | P | 95.7 | Very high | 93.2 | Very high | 104 Ų | 104 | 63.5 Ų | 63.5 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 149 | 171.2 | 28.4 | -34.4 | 0 | 0 | 0 | 110.4 | G55 | P47-G55 CarbonylContact C-O 3.56Å; P47-G55 WeakPolarHBondContact CA-O 2.96Å |
| 48 | Y | 96.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155 | 172.9 | 79.9 | -81 | 0 | 0 | 0 | 111.7 | K50 E53 K54 G55 W88 | Y48-K50 HydrophobicContact CD2-CB 4.22Å; Y48-E53 HydrophobicContact CE2-CG 4.37Å; Y48-E53 WeakPolarHBondContact CE2-OE1 3.31Å; Y48-E53 PolarHBondContact OH-OE1 3.4Å; Y48-K54 WeakPolarHBondContact O-CA 3.27Å; Y48-G55 VanDerWaalsContact CD1-C 3.41Å; Y48-G55 WeakPolarHBondContact CD1-O 3.37Å; Y48-G55 VanDerWaalsContact CE1-C 3.43Å; Y48-G55 PolarHBondContact N-O 3.01Å; Y48-G55 PolarHBondContact O-N 2.84Å; Y48-G55 VanDerWaalsContact O-N 3.08Å; Y48-W88 HydrophobicContact CE1-CB 4.15Å; Y48-W88 AromaticContact CE2-CD1 3.87Å; Y48-W88 AromaticContact CZ-CD1 3.8Å |
| 49 | E | 95.7 | Very high | 94.3 | Very high | 127 Ų | 127 | 63.3 Ų | 63.3 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 121.5 | 168.8 | 179 | 164.7 | -177.8 | 0 | 0 | 108.2 | E53 K54 | E49-E53 CarbonylContact C-O 3.6Å; E49-E53 VanDerWaalsContact CA-O 3.31Å; E49-E53 WeakPolarHBondContact CA-O 3.47Å; E49-K54 HydrophobicContact CB-CG 4.18Å; E49-K54 HydrophobicContact CG-CD 4.48Å; E49-K54 HydrophobicContact CG-CG 3.87Å; E49-K54 WeakPolarHBondContact OE1-CE 3.24Å; E49-K54 IonicContact OE1-NZ 3.98Å; E49-K54 PolarHBondContact OE1-NZ 3.37Å; E49-K54 WeakPolarHBondContact OE2-CE 3.34Å; E49-K54 IonicContact OE2-NZ 2.88Å; E49-K54 PolarHBondContact OE2-NZ 3.19Å |
| 50 | K | 91.6 | Very high | 94.6 | Very high | 135 Ų | 135 | 64.2 Ų | 64.2 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 128.9 | 179.9 | -175.2 | 177.3 | 177.5 | -177.2 | 0 | 110.4 | Y48 G52 E53 | Y48-K50 HydrophobicContact CD2-CB 4.22Å; K50-G52 PolarHBondContact O-N 2.98Å; K50-G52 VanDerWaalsContact O-N 3.08Å; K50-E53 PolarHBondContact N-O 3.27Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 2.78Å |
| 51 | D | 91.3 | Very high | 94.7 | Very high | 155 Ų | 155 | 64.1 Ų | 64.1 | 83% | 0.829 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 33.1 | 176.4 | -54.1 | -38.9 | 0 | 0 | 0 | 113.6 | E53 | D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 3.13Å |
| 52 | G | 88.4 | Confident | 94.7 | Very high | 67 Ų | 67 | 64.1 Ų | 64.1 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -7.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | K50 | K50-G52 PolarHBondContact O-N 2.98Å; K50-G52 VanDerWaalsContact O-N 3.08Å |
| 53 | E | 92.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.3 | 170.5 | -170.5 | -177.6 | 81.7 | 0 | 0 | 109.8 | Y48 E49 K50 D51 A90 | Y48-E53 HydrophobicContact CE2-CG 4.37Å; Y48-E53 WeakPolarHBondContact CE2-OE1 3.31Å; Y48-E53 PolarHBondContact OH-OE1 3.4Å; E49-E53 CarbonylContact C-O 3.6Å; E49-E53 VanDerWaalsContact CA-O 3.31Å; E49-E53 WeakPolarHBondContact CA-O 3.47Å; K50-E53 PolarHBondContact N-O 3.27Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 2.78Å; D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 3.13Å; E53-A90 HydrophobicContact CG-CB 3.54Å |
| 54 | K | 95.3 | Very high | 94.1 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142.6 | 176.4 | -61.1 | -176.8 | -165.8 | -124.9 | 0 | 109.4 | Y48 E49 A90 | Y48-K54 WeakPolarHBondContact O-CA 3.27Å; E49-K54 HydrophobicContact CB-CG 4.18Å; E49-K54 HydrophobicContact CG-CD 4.48Å; E49-K54 HydrophobicContact CG-CG 3.87Å; E49-K54 WeakPolarHBondContact OE1-CE 3.24Å; E49-K54 IonicContact OE1-NZ 3.98Å; E49-K54 PolarHBondContact OE1-NZ 3.37Å; E49-K54 WeakPolarHBondContact OE2-CE 3.34Å; E49-K54 IonicContact OE2-NZ 2.88Å; E49-K54 PolarHBondContact OE2-NZ 3.19Å; K54-A90 WeakPolarHBondContact O-CB 3.32Å |
| 55 | G | 95.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | -161.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P47 Y48 N89 | P47-G55 CarbonylContact C-O 3.56Å; P47-G55 WeakPolarHBondContact CA-O 2.96Å; Y48-G55 VanDerWaalsContact CD1-C 3.41Å; Y48-G55 WeakPolarHBondContact CD1-O 3.37Å; Y48-G55 VanDerWaalsContact CE1-C 3.43Å; Y48-G55 PolarHBondContact N-O 3.01Å; Y48-G55 PolarHBondContact O-N 2.84Å; Y48-G55 VanDerWaalsContact O-N 3.08Å; G55-N89 CarbonylContact C-O 3.58Å; G55-N89 WeakPolarHBondContact CA-O 3.29Å |
| 56 | Q | 96.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.2 | 172.8 | -161.4 | 74.5 | 13.6 | 0 | 0 | 110.1 | N45 N89 R244 | N45-Q56 WeakPolarHBondContact OD1-CG 3.5Å; N45-Q56 PolarHBondContact OD1-NE2 3.27Å; Q56-N89 HydrophobicContact CB-CB 4.49Å; Q56-N89 PolarHBondContact N-O 2.72Å; Q56-N89 PolarHBondContact O-N 3.29Å; Q56-R244 VanDerWaalsContact OE1-NH2 3.15Å |
| 57 | Y | 97.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131 | 171.3 | 173.1 | -101.6 | 0 | 0 | 0 | 109.4 | K44 N45 E46 H59 K86 A87 W88 | K44-Y57 HydrophobicContact CB-CD1 4.42Å; K44-Y57 HydrophobicContact CB-CE1 4.17Å; K44-Y57 HydrophobicContact CD-CD1 4.5Å; K44-Y57 HydrophobicContact CD-CE1 3.83Å; N45-Y57 WeakPolarHBondContact CA-O 3.41Å; E46-Y57 HydrophobicContact CG-CD1 4.19Å; E46-Y57 PolarHBondContact N-O 3.21Å; E46-Y57 PolarHBondContact O-N 3.41Å; Y57-H59 HydrophobicContact CE1-CB 3.99Å; Y57-K86 HydrophobicContact CE2-CB 4.14Å; Y57-K86 HydrophobicContact CE2-CG 4.48Å; Y57-K86 WeakPolarHBondContact OH-CD 3.45Å; Y57-K86 WeakPolarHBondContact OH-CG 3.4Å; Y57-A87 WeakPolarHBondContact CA-O 3.39Å; Y57-A87 WeakPolarHBondContact CD2-O 3.27Å; Y57-W88 AromaticContact CD2-CD1 3.85Å; Y57-W88 HydrophobicContact CD2-CD2 4.16Å; Y57-W88 AromaticContact CD2-CE2 3.7Å; Y57-W88 HydrophobicContact CD2-CG 4.26Å; Y57-W88 HydrophobicContact CD2-CZ2 4.18Å; Y57-W88 AromaticContact CD2-NE1 3.47Å; Y57-W88 HydrophobicContact CE2-CD2 4.35Å; Y57-W88 AromaticContact CE2-CE2 3.69Å; Y57-W88 HydrophobicContact CE2-CH2 4.29Å; Y57-W88 AromaticContact CE2-CZ2 3.67Å; Y57-W88 HydrophobicContact CE2-CZ2 3.67Å; Y57-W88 AromaticContact CE2-NE1 3.87Å |
| 58 | T | 96.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.3 | 170.9 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | K44 N45 K86 A87 | K44-T58 CarbonylContact O-C 3.56Å; K44-T58 VanDerWaalsContact O-CA 3.24Å; K44-T58 WeakPolarHBondContact O-CA 3.35Å; N45-T58 HydrophobicContact CB-CG2 4.33Å; T58-K86 WeakPolarHBondContact O-CA 3.42Å; T58-A87 PolarHBondContact N-O 2.81Å; T58-A87 PolarHBondContact O-N 3.5Å |
| 59 | H | 97.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 116 | 167.8 | -176.2 | -172.8 | 0 | 0 | 0 | 108.1 | L43 K44 Y57 H84 E85 K86 | L43-H59 WeakPolarHBondContact CA-O 3.4Å; L43-H59 HydrophobicContact CB-CB 4.48Å; L43-H59 WeakPolarHBondContact CB-O 3.36Å; L43-H59 PolarHBondContact N-O 3.43Å; K44-H59 HydrophobicContact CB-CB 3.97Å; K44-H59 HydrophobicContact CD-CB 4.44Å; K44-H59 HydrophobicContact CG-CB 4.39Å; K44-H59 PolarHBondContact N-O 3.4Å; K44-H59 VanDerWaalsContact N-O 3.11Å; K44-H59 PolarHBondContact O-N 3.07Å; Y57-H59 HydrophobicContact CE1-CB 3.99Å; H59-H84 AromaticContact CE1-ND1 3.75Å; H59-H84 AromaticContact NE2-CG 3.88Å; H59-H84 AromaticContact NE2-ND1 3.15Å; H59-H84 PolarHBondContact NE2-ND1 3.16Å; H59-H84 VanDerWaalsContact NE2-ND1 3.15Å; H59-E85 CarbonylContact C-O 3.58Å; H59-E85 VanDerWaalsContact CA-O 3.32Å; H59-E85 WeakPolarHBondContact CA-O 3.5Å; H59-E85 PolarHBondContact CD2-O 3.47Å; H59-K86 HydrophobicContact CB-CG 4.48Å |
| 60 | K | 96.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 156.2 | 177.2 | -53.7 | -179.5 | -175 | 172.8 | 0 | 111.2 | I40 E41 V42 Y62 E85 | I40-K60 HydrophobicContact CG2-CB 4.34Å; I40-K60 HydrophobicContact CG2-CD 3.97Å; E41-K60 CarbonylContact O-C 3.49Å; E41-K60 WeakPolarHBondContact O-CA 3.33Å; E41-K60 WeakPolarHBondContact O-CB 3.2Å; V42-K60 HydrophobicContact CG2-CD 4.38Å; V42-K60 HydrophobicContact CG2-CG 4.22Å; K60-Y62 HydrophobicContact CB-CE1 4.33Å; K60-E85 HydrophobicContact CB-CB 4.34Å; K60-E85 PolarHBondContact N-O 2.87Å; K60-E85 PolarHBondContact O-N 3.41Å |
| 61 | I | 94.9 | Very high | 89 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.7 | 169.6 | -64.3 | -179.9 | 0 | 0 | 0 | 108.6 | I40 E41 L43 H63 V82 F83 | I40-I61 WeakPolarHBondContact CA-O 3.45Å; E41-I61 HydrophobicContact CB-CB 4.29Å; E41-I61 PolarHBondContact N-O 3.45Å; E41-I61 PolarHBondContact O-N 3.08Å; L43-I61 HydrophobicContact CD1-CD1 3.52Å; L43-I61 HydrophobicContact CD1-CG1 3.8Å; L43-I61 HydrophobicContact CD2-CD1 4.32Å; L43-I61 HydrophobicContact CG-CD1 4.09Å; L43-I61 HydrophobicContact CG-CG1 4.18Å; I61-H63 WeakPolarHBondContact CG2-NE2 3.48Å; I61-V82 HydrophobicContact CG2-CG1 3.33Å; I61-F83 CarbonylContact C-O 3.57Å; I61-F83 WeakPolarHBondContact CA-O 3.37Å |
| 62 | Y | 93.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.3 | 170.9 | -56.8 | -33.9 | 0 | 0 | 0 | 110 | I40 K60 V82 F83 E85 | I40-Y62 HydrophobicContact CB-CD1 4.42Å; I40-Y62 HydrophobicContact CB-CE1 4.44Å; I40-Y62 HydrophobicContact CD1-CD1 4.28Å; I40-Y62 HydrophobicContact CD1-CE1 3.78Å; I40-Y62 HydrophobicContact CG1-CD1 3.82Å; I40-Y62 HydrophobicContact CG1-CE1 3.81Å; I40-Y62 HydrophobicContact CG2-CD1 4.29Å; I40-Y62 HydrophobicContact CG2-CE1 4.01Å; K60-Y62 HydrophobicContact CB-CE1 4.33Å; Y62-V82 WeakPolarHBondContact O-CA 3.47Å; Y62-F83 HydrophobicContact CD2-CB 4.49Å; Y62-F83 PolarHBondContact N-O 3.46Å; Y62-F83 PolarHBondContact O-N 2.87Å; Y62-E85 HydrophobicContact CD2-CB 4.46Å; Y62-E85 HydrophobicContact CE2-CB 3.79Å; Y62-E85 HydrophobicContact CE2-CG 4.39Å; Y62-E85 PolarHBondContact OH-OE1 2.57Å; Y62-E85 PolarHBondContact OH-OE2 3.21Å |
| 63 | H | 91.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 100.4 | 176 | -60.5 | -83.1 | 0 | 0 | 0 | 108.5 | E38 G39 E41 I61 | E38-H63 WeakPolarHBondContact CA-O 3.36Å; E38-H63 WeakPolarHBondContact CB-O 3.37Å; G39-H63 PolarHBondContact N-O 2.85Å; G39-H63 PolarHBondContact O-N 2.75Å; E41-H63 IonicContact OE2-CD2 3.72Å; E41-H63 IonicContact OE2-CE1 2.71Å; E41-H63 PolarHBondContact OE2-CE1 2.88Å; E41-H63 IonicContact OE2-NE2 2.64Å; E41-H63 PolarHBondContact OE2-NE2 3.32Å; I61-H63 WeakPolarHBondContact CG2-NE2 3.48Å |
| 64 | L | 84.8 | Confident | 87.1 | Confident | 50 Ų | 50 | 45.7 Ų | 45.7 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | trans | -116.6 | 29.8 | -166.4 | -57.7 | -179 | 0 | 0 | 0 | 114.4 | K67 V68 L81 F83 | L64-K67 HydrophobicContact CD2-CD 4.47Å; L64-K67 PolarHBondContact O-N 2.88Å; L64-V68 HydrophobicContact CB-CG1 3.87Å; L64-V68 HydrophobicContact CD1-CG1 4.49Å; L64-V68 WeakPolarHBondContact O-CG1 3.24Å; L64-V68 PolarHBondContact O-N 3.34Å; L64-L81 PolarHBondContact N-O 3.1Å; L64-L81 VanDerWaalsContact N-O 3.14Å; L64-F83 HydrophobicContact CD1-CD2 3.78Å; L64-F83 HydrophobicContact CD1-CE2 4.03Å; L64-F83 HydrophobicContact CG-CD2 4.33Å | ||
| 65 | N | 81.4 | Confident | 86 | Confident | 97 Ų | 97 | 41.7 Ų | 41.7 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -64.8 | -169.1 | -166.2 | 23.9 | 0 | 0 | 0 | 113.8 | E38 R73 | E38-N65 HydrophobicContact CG-CB 4.3Å; E38-N65 PolarHBondContact OE2-N 2.85Å; N65-R73 PolarHBondContact O-NE 3.2Å |
| 66 | S | 80.4 | Confident | 85 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.6 | 179.1 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | E38 R73 | E38-S66 WeakPolarHBondContact OE1-CB 3.4Å; E38-S66 PolarHBondContact OE1-N 2.99Å; E38-S66 PolarHBondContact OE1-OG 3.43Å; E38-S66 PolarHBondContact OE2-N 2.64Å; E38-S66 PolarHBondContact OE2-OG 3.32Å; S66-R73 VanDerWaalsContact C-NH2 3.27Å; S66-R73 PolarHBondContact O-NH2 3.35Å |
| 67 | K | 81.7 | Confident | 84.1 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.5 | -180 | -70.8 | -175.7 | 171.3 | -157.9 | 0 | 115.2 | E33 E38 L64 R264 A268 | E33-K67 PolarHBondContact O-NZ 3.37Å; E33-K67 IonicContact OE2-NZ 3.37Å; E33-K67 PolarHBondContact OE2-NZ 2.92Å; E38-K67 WeakPolarHBondContact OE2-CG 3.38Å; E38-K67 PolarHBondContact OE2-N 2.7Å; L64-K67 HydrophobicContact CD2-CD 4.47Å; L64-K67 PolarHBondContact O-N 2.88Å; K67-R264 WeakPolarHBondContact CE-O 3.15Å; K67-R264 PolarHBondContact NZ-O 3.14Å; K67-A268 PolarHBondContact O-N 3.32Å |
| 68 | V | 80.4 | Confident | 83 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -87 | 156.7 | 177.3 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | L64 V72 R73 L81 | L64-V68 HydrophobicContact CB-CG1 3.87Å; L64-V68 HydrophobicContact CD1-CG1 4.49Å; L64-V68 WeakPolarHBondContact O-CG1 3.24Å; L64-V68 PolarHBondContact O-N 3.34Å; V68-V72 HydrophobicContact CB-CB 4.24Å; V68-V72 HydrophobicContact CB-CG1 4.21Å; V68-V72 HydrophobicContact CG2-CB 4.2Å; V68-V72 HydrophobicContact CG2-CG1 4.13Å; V68-R73 HydrophobicContact CG2-CG 3.56Å; V68-R73 PolarHBondContact O-NE 3.08Å; V68-R73 PolarHBondContact O-NH2 2.86Å; V68-L81 HydrophobicContact CG2-CD1 3.49Å; V68-L81 VanDerWaalsContact CG2-CD1 3.49Å; V68-L81 HydrophobicContact CG2-CD2 4.02Å; V68-L81 HydrophobicContact CG2-CG 4.35Å |
| 69 | P | 78.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | trans | -57.3 | 151.4 | 175.9 | -23.8 | 31.8 | 0 | 0 | 0 | 113.8 | F71 V72 R73 F212 A268 | P69-F71 VanDerWaalsContact C-N 3.26Å; P69-F71 HydrophobicContact CB-CD1 3.51Å; P69-F71 HydrophobicContact CB-CE1 3.31Å; P69-F71 HydrophobicContact CB-CG 4.43Å; P69-F71 HydrophobicContact CB-CZ 4.11Å; P69-F71 HydrophobicContact CG-CD1 4.4Å; P69-F71 HydrophobicContact CG-CE1 3.72Å; P69-F71 HydrophobicContact CG-CZ 4.18Å; P69-F71 PolarHBondContact O-N 2.71Å; P69-V72 HydrophobicContact CB-CG2 4.26Å; P69-V72 HydrophobicContact CG-CG2 4.24Å; P69-V72 WeakPolarHBondContact O-CB 3.19Å; P69-V72 PolarHBondContact O-N 2.9Å; P69-R73 PolarHBondContact O-N 3.36Å; P69-F212 HydrophobicContact CG-CE1 3.76Å; P69-F212 HydrophobicContact CG-CE2 3.6Å; P69-F212 HydrophobicContact CG-CZ 3.15Å; P69-A268 WeakPolarHBondContact CA-O 3.17Å; P69-A268 HydrophobicContact CG-CB 4.15Å; P69-A268 WeakPolarHBondContact CG-O 3.38Å | ||
| 70 | G | 77.5 | Confident | 81 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.8 | -36 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | V72 R73 L74 | G70-V72 VanDerWaalsContact C-N 3.28Å; G70-V72 PolarHBondContact O-N 3.12Å; G70-R73 PolarHBondContact O-N 3.24Å; G70-L74 PolarHBondContact O-N 2.85Å |
| 71 | F | 76.6 | Confident | 80.4 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -28 | 177.5 | 75.9 | -95.6 | 0 | 0 | 0 | 113 | P69 V209 F212 | P69-F71 VanDerWaalsContact C-N 3.26Å; P69-F71 HydrophobicContact CB-CD1 3.51Å; P69-F71 HydrophobicContact CB-CE1 3.31Å; P69-F71 HydrophobicContact CB-CG 4.43Å; P69-F71 HydrophobicContact CB-CZ 4.11Å; P69-F71 HydrophobicContact CG-CD1 4.4Å; P69-F71 HydrophobicContact CG-CE1 3.72Å; P69-F71 HydrophobicContact CG-CZ 4.18Å; P69-F71 PolarHBondContact O-N 2.71Å; F71-V209 HydrophobicContact CE2-CG2 4.13Å; F71-F212 HydrophobicContact CZ-CD1 4.34Å; F71-F212 HydrophobicContact CZ-CD2 4.46Å; F71-F212 HydrophobicContact CZ-CG 4.2Å |
| 72 | V | 78.1 | Confident | 80.2 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.2 | -40.1 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | V68 P69 G70 L74 I75 A76 L81 | V68-V72 HydrophobicContact CB-CB 4.24Å; V68-V72 HydrophobicContact CB-CG1 4.21Å; V68-V72 HydrophobicContact CG2-CB 4.2Å; V68-V72 HydrophobicContact CG2-CG1 4.13Å; P69-V72 HydrophobicContact CB-CG2 4.26Å; P69-V72 HydrophobicContact CG-CG2 4.24Å; P69-V72 WeakPolarHBondContact O-CB 3.19Å; P69-V72 PolarHBondContact O-N 2.9Å; G70-V72 VanDerWaalsContact C-N 3.28Å; G70-V72 PolarHBondContact O-N 3.12Å; V72-L74 VanDerWaalsContact C-N 3.34Å; V72-L74 PolarHBondContact O-N 3.01Å; V72-I75 VanDerWaalsContact O-CG1 3.24Å; V72-I75 WeakPolarHBondContact O-CG1 3.39Å; V72-I75 PolarHBondContact O-N 3.13Å; V72-A76 VanDerWaalsContact O-CB 3.22Å; V72-A76 WeakPolarHBondContact O-CB 3.33Å; V72-A76 PolarHBondContact O-N 3.17Å; V72-L81 HydrophobicContact CG1-CD2 3.93Å |
| 73 | R | 78.8 | Confident | 80.2 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 176.2 | -57.2 | -171.7 | -146.5 | 172.6 | 6.9 | 112.5 | N65 S66 V68 P69 G70 I75 A76 L81 | N65-R73 PolarHBondContact O-NE 3.2Å; S66-R73 VanDerWaalsContact C-NH2 3.27Å; S66-R73 PolarHBondContact O-NH2 3.35Å; V68-R73 HydrophobicContact CG2-CG 3.56Å; V68-R73 PolarHBondContact O-NE 3.08Å; V68-R73 PolarHBondContact O-NH2 2.86Å; P69-R73 PolarHBondContact O-N 3.36Å; G70-R73 PolarHBondContact O-N 3.24Å; R73-I75 PolarHBondContact O-N 3.43Å; R73-A76 PolarHBondContact O-N 3.41Å; R73-A76 VanDerWaalsContact O-O 3.1Å; R73-L81 HydrophobicContact CG-CD1 4.05Å |
| 74 | L | 75.7 | Confident | 80.4 | Confident | 156 Ų | 156 | 51.9 Ų | 51.9 | 82% | 0.817 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -28.9 | -178.2 | -171.1 | 66.7 | 0 | 0 | 0 | 113.2 | G70 V72 | G70-L74 PolarHBondContact O-N 2.85Å; V72-L74 VanDerWaalsContact C-N 3.34Å; V72-L74 PolarHBondContact O-N 3.01Å |
| 75 | I | 72.7 | Confident | 81.1 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -101 | -12.2 | -178 | 65.8 | 176.7 | 0 | 0 | 0 | 113.1 | V72 R73 F200 W202 L205 | V72-I75 VanDerWaalsContact O-CG1 3.24Å; V72-I75 WeakPolarHBondContact O-CG1 3.39Å; V72-I75 PolarHBondContact O-N 3.13Å; R73-I75 PolarHBondContact O-N 3.43Å; I75-F200 HydrophobicContact CD1-CZ 4.36Å; I75-W202 HydrophobicContact CB-CH2 4.22Å; I75-W202 HydrophobicContact CB-CZ2 4.14Å; I75-W202 VanDerWaalsContact O-CH2 3.3Å; I75-W202 WeakPolarHBondContact O-CH2 3.4Å; I75-L205 HydrophobicContact CD1-CD1 3.59Å; I75-L205 HydrophobicContact CG2-CD1 4.06Å |
| 76 | A | 75.4 | Confident | 81.9 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -95.4 | 121.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V72 R73 S80 L81 | V72-A76 VanDerWaalsContact O-CB 3.22Å; V72-A76 WeakPolarHBondContact O-CB 3.33Å; V72-A76 PolarHBondContact O-N 3.17Å; R73-A76 PolarHBondContact O-N 3.41Å; R73-A76 VanDerWaalsContact O-O 3.1Å; A76-S80 WeakPolarHBondContact CB-OG 3.23Å; A76-L81 HydrophobicContact CB-CD1 4.45Å; A76-L81 HydrophobicContact CB-CD2 3.66Å; A76-L81 HydrophobicContact CB-CG 3.93Å |
| 77 | P | 77.7 | Confident | 82.7 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 154.1 | 169.8 | -25.2 | 34 | 0 | 0 | 0 | 112.2 | G79 S80 Y102 | P77-G79 PolarHBondContact O-N 3.31Å; P77-S80 WeakPolarHBondContact CD-OG 3.2Å; P77-S80 VanDerWaalsContact O-CB 3.26Å; P77-S80 WeakPolarHBondContact O-CB 3.26Å; P77-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-OG 3.25Å; P77-Y102 HydrophobicContact CG-CD2 4.19Å; P77-Y102 HydrophobicContact CG-CE1 4.07Å; P77-Y102 HydrophobicContact CG-CE2 3.63Å |
| 78 | E | 73.7 | Confident | 83.5 | Confident | 202 Ų | 202 | 50.7 Ų | 50.7 | 94% | 0.944 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 132.3 | 176.1 | -169.3 | 175.1 | -176.2 | 0 | 0 | 110.8 | S80 | E78-S80 VanDerWaalsContact C-N 3.26Å; E78-S80 PolarHBondContact O-N 2.9Å |
| 79 | G | 71.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -2.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P77 L81 V82 | P77-G79 PolarHBondContact O-N 3.31Å; G79-L81 VanDerWaalsContact C-N 3.31Å; G79-L81 PolarHBondContact O-N 3.38Å; G79-V82 WeakPolarHBondContact O-CG2 3.4Å |
| 80 | S | 80.2 | Confident | 85.2 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | trans | -84 | -1.5 | -179.6 | 87.7 | 0 | 0 | 0 | 0 | 114.3 | A76 P77 E78 V82 N100 | A76-S80 WeakPolarHBondContact CB-OG 3.23Å; P77-S80 WeakPolarHBondContact CD-OG 3.2Å; P77-S80 VanDerWaalsContact O-CB 3.26Å; P77-S80 WeakPolarHBondContact O-CB 3.26Å; P77-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-OG 3.25Å; E78-S80 VanDerWaalsContact C-N 3.26Å; E78-S80 PolarHBondContact O-N 2.9Å; S80-V82 PolarHBondContact O-N 3.31Å; S80-N100 PolarHBondContact O-ND2 2.61Å | ||
| 81 | L | 84.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | trans | -89.5 | 39.6 | 179 | -64.7 | 171.8 | 0 | 0 | 0 | 112.3 | L64 V68 V72 R73 A76 G79 F83 | L64-L81 PolarHBondContact N-O 3.1Å; L64-L81 VanDerWaalsContact N-O 3.14Å; V68-L81 HydrophobicContact CG2-CD1 3.49Å; V68-L81 VanDerWaalsContact CG2-CD1 3.49Å; V68-L81 HydrophobicContact CG2-CD2 4.02Å; V68-L81 HydrophobicContact CG2-CG 4.35Å; V72-L81 HydrophobicContact CG1-CD2 3.93Å; R73-L81 HydrophobicContact CG-CD1 4.05Å; A76-L81 HydrophobicContact CB-CD1 4.45Å; A76-L81 HydrophobicContact CB-CD2 3.66Å; A76-L81 HydrophobicContact CB-CG 3.93Å; G79-L81 VanDerWaalsContact C-N 3.31Å; G79-L81 PolarHBondContact O-N 3.38Å; L81-F83 HydrophobicContact CD2-CE2 4.42Å | ||
| 82 | V | 90 | Very high | 87.1 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.8 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | I61 Y62 G79 S80 N100 | I61-V82 HydrophobicContact CG2-CG1 3.33Å; Y62-V82 WeakPolarHBondContact O-CA 3.47Å; G79-V82 WeakPolarHBondContact O-CG2 3.4Å; S80-V82 PolarHBondContact O-N 3.31Å; V82-N100 PolarHBondContact O-ND2 3.22Å |
| 83 | F | 93.4 | Very high | 88 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.6 | -176.9 | -62.6 | -95.5 | 0 | 0 | 0 | 110.3 | I61 Y62 L64 L81 V98 T99 N100 M103 F107 | I61-F83 CarbonylContact C-O 3.57Å; I61-F83 WeakPolarHBondContact CA-O 3.37Å; Y62-F83 HydrophobicContact CD2-CB 4.49Å; Y62-F83 PolarHBondContact N-O 3.46Å; Y62-F83 PolarHBondContact O-N 2.87Å; L64-F83 HydrophobicContact CD1-CD2 3.78Å; L64-F83 HydrophobicContact CD1-CE2 4.03Å; L64-F83 HydrophobicContact CG-CD2 4.33Å; L81-F83 HydrophobicContact CD2-CE2 4.42Å; F83-V98 HydrophobicContact CB-CG1 3.82Å; F83-V98 HydrophobicContact CD1-CG1 4.3Å; F83-V98 HydrophobicContact CG-CG1 4.47Å; F83-T99 CarbonylContact C-O 3.54Å; F83-T99 WeakPolarHBondContact CA-O 3.14Å; F83-N100 HydrophobicContact CD1-CB 3.9Å; F83-N100 HydrophobicContact CE1-CB 3.92Å; F83-M103 HydrophobicContact CE1-CE 3.98Å; F83-M103 HydrophobicContact CZ-CE 4.48Å; F83-F107 HydrophobicContact CD1-CD1 4.42Å; F83-F107 AromaticContact CD1-CE1 3.53Å; F83-F107 HydrophobicContact CD1-CE1 3.53Å; F83-F107 AromaticContact CD1-CZ 3.81Å; F83-F107 HydrophobicContact CD1-CZ 3.81Å; F83-F107 HydrophobicContact CE1-CD1 4.31Å; F83-F107 AromaticContact CE1-CE1 3.58Å; F83-F107 HydrophobicContact CE1-CE1 3.58Å; F83-F107 HydrophobicContact CE1-CE2 4.33Å; F83-F107 AromaticContact CE1-CZ 3.56Å; F83-F107 HydrophobicContact CE1-CZ 3.56Å |
| 84 | H | 96.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.4 | 178.8 | -71.8 | -125.1 | 0 | 0 | 0 | 108.3 | H59 V98 T99 E101 | H59-H84 AromaticContact CE1-ND1 3.75Å; H59-H84 AromaticContact NE2-CG 3.88Å; H59-H84 AromaticContact NE2-ND1 3.15Å; H59-H84 PolarHBondContact NE2-ND1 3.16Å; H59-H84 VanDerWaalsContact NE2-ND1 3.15Å; H84-V98 CarbonylContact O-C 3.51Å; H84-V98 VanDerWaalsContact O-CA 3.28Å; H84-V98 WeakPolarHBondContact O-CA 3.34Å; H84-T99 PolarHBondContact N-O 3.06Å; H84-T99 PolarHBondContact O-N 2.71Å; H84-E101 IonicContact CE1-OE1 3.36Å; H84-E101 IonicContact NE2-OE1 3.26Å |
| 85 | E | 97.8 | Very high | 90 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.1 | 168.6 | -178.9 | -175.8 | 91.8 | 0 | 0 | 109.5 | H59 K60 Y62 T96 V98 | H59-E85 CarbonylContact C-O 3.58Å; H59-E85 VanDerWaalsContact CA-O 3.32Å; H59-E85 WeakPolarHBondContact CA-O 3.5Å; H59-E85 PolarHBondContact CD2-O 3.47Å; K60-E85 HydrophobicContact CB-CB 4.34Å; K60-E85 PolarHBondContact N-O 2.87Å; K60-E85 PolarHBondContact O-N 3.41Å; Y62-E85 HydrophobicContact CD2-CB 4.46Å; Y62-E85 HydrophobicContact CE2-CB 3.79Å; Y62-E85 HydrophobicContact CE2-CG 4.39Å; Y62-E85 PolarHBondContact OH-OE1 2.57Å; Y62-E85 PolarHBondContact OH-OE2 3.21Å; E85-T96 HydrophobicContact CG-CG2 3.41Å; E85-T96 VanDerWaalsContact CG-CG2 3.41Å; E85-V98 HydrophobicContact CB-CG2 4.29Å; E85-V98 HydrophobicContact CG-CG2 4.26Å |
| 86 | K | 98.2 | Very high | 91.2 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.4 | 166.9 | -65.8 | 179.1 | -179.6 | 174.7 | 0 | 108.8 | Y57 T58 H59 W88 T96 I97 | Y57-K86 HydrophobicContact CE2-CB 4.14Å; Y57-K86 HydrophobicContact CE2-CG 4.48Å; Y57-K86 WeakPolarHBondContact OH-CD 3.45Å; Y57-K86 WeakPolarHBondContact OH-CG 3.4Å; T58-K86 WeakPolarHBondContact O-CA 3.42Å; H59-K86 HydrophobicContact CB-CG 4.48Å; K86-W88 HydrophobicContact CB-CH2 3.71Å; K86-W88 HydrophobicContact CB-CZ3 3.78Å; K86-W88 HydrophobicContact CD-CH2 4.34Å; K86-T96 CarbonylContact O-C 3.6Å; K86-T96 WeakPolarHBondContact O-CA 3.19Å; K86-I97 PolarHBondContact N-O 2.94Å; K86-I97 PolarHBondContact O-N 3.26Å |
| 87 | A | 97.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y57 T58 R95 T96 | Y57-A87 WeakPolarHBondContact CA-O 3.39Å; Y57-A87 WeakPolarHBondContact CD2-O 3.27Å; T58-A87 PolarHBondContact N-O 2.81Å; T58-A87 PolarHBondContact O-N 3.5Å; A87-R95 CarbonylContact C-O 3.57Å; A87-R95 VanDerWaalsContact CA-O 3.31Å; A87-R95 WeakPolarHBondContact CA-O 3.33Å; A87-T96 HydrophobicContact CB-CG2 4.17Å; A87-T96 WeakPolarHBondContact CB-OG1 3.43Å |
| 88 | W | 98.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 27% | 0.269 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 98.2 | 174 | -68.3 | -91.5 | 0 | 0 | 0 | 107.3 | Y48 Y57 K86 C94 R95 I97 | Y48-W88 HydrophobicContact CE1-CB 4.15Å; Y48-W88 AromaticContact CE2-CD1 3.87Å; Y48-W88 AromaticContact CZ-CD1 3.8Å; Y57-W88 AromaticContact CD2-CD1 3.85Å; Y57-W88 HydrophobicContact CD2-CD2 4.16Å; Y57-W88 AromaticContact CD2-CE2 3.7Å; Y57-W88 HydrophobicContact CD2-CG 4.26Å; Y57-W88 HydrophobicContact CD2-CZ2 4.18Å; Y57-W88 AromaticContact CD2-NE1 3.47Å; Y57-W88 HydrophobicContact CE2-CD2 4.35Å; Y57-W88 AromaticContact CE2-CE2 3.69Å; Y57-W88 HydrophobicContact CE2-CH2 4.29Å; Y57-W88 AromaticContact CE2-CZ2 3.67Å; Y57-W88 HydrophobicContact CE2-CZ2 3.67Å; Y57-W88 AromaticContact CE2-NE1 3.87Å; K86-W88 HydrophobicContact CB-CH2 3.71Å; K86-W88 HydrophobicContact CB-CZ3 3.78Å; K86-W88 HydrophobicContact CD-CH2 4.34Å; W88-C94 WeakPolarHBondContact O-CA 3.13Å; W88-R95 PolarHBondContact N-O 3.45Å; W88-R95 PolarHBondContact O-N 2.97Å; W88-I97 HydrophobicContact CH2-CD1 4.49Å; W88-I97 HydrophobicContact CZ3-CB 4.45Å; W88-I97 HydrophobicContact CZ3-CD1 3.92Å; W88-I97 HydrophobicContact CZ3-CG1 4.11Å |
| 89 | N | 97.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 93 | -177.2 | -173.8 | -3.1 | 0 | 0 | 0 | 110 | G55 Q56 Y91 | G55-N89 CarbonylContact C-O 3.58Å; G55-N89 WeakPolarHBondContact CA-O 3.29Å; Q56-N89 HydrophobicContact CB-CB 4.49Å; Q56-N89 PolarHBondContact N-O 2.72Å; Q56-N89 PolarHBondContact O-N 3.29Å; N89-Y91 PolarHBondContact OD1-N 2.78Å |
| 90 | A | 97.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 33 Ų | 33 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 58.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E53 K54 Y93 | E53-A90 HydrophobicContact CG-CB 3.54Å; K54-A90 WeakPolarHBondContact O-CB 3.32Å; A90-Y93 CarbonylContact C-O 3.56Å; A90-Y93 WeakPolarHBondContact CA-O 3.2Å; A90-Y93 PolarHBondContact N-O 2.67Å; A90-Y93 PolarHBondContact O-N 2.94Å |
| 91 | Y | 97 | Very high | 95.8 | Very high | 40 Ų | 40 | 39 Ų | 39 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 129.2 | -173 | -164.5 | -93.3 | 0 | 0 | 0 | 111.7 | I15 Y18 Q19 N89 Y93 H115 | I15-Y91 WeakPolarHBondContact CA-OH 3.43Å; I15-Y91 HydrophobicContact CB-CE1 4.43Å; I15-Y91 VanDerWaalsContact O-CE1 3.23Å; I15-Y91 WeakPolarHBondContact O-CE1 3.36Å; I15-Y91 PolarHBondContact O-OH 3.31Å; Y18-Y91 HydrophobicContact CD1-CE2 4.03Å; Q19-Y91 HydrophobicContact CB-CD1 3.95Å; Q19-Y91 HydrophobicContact CB-CD2 4.41Å; Q19-Y91 HydrophobicContact CB-CE1 3.81Å; Q19-Y91 HydrophobicContact CB-CE2 4.29Å; Q19-Y91 HydrophobicContact CB-CG 4.25Å; Q19-Y91 HydrophobicContact CG-CD1 3.88Å; Q19-Y91 HydrophobicContact CG-CD2 4.23Å; Q19-Y91 HydrophobicContact CG-CE1 4.27Å; Q19-Y91 HydrophobicContact CG-CG 3.86Å; N89-Y91 PolarHBondContact OD1-N 2.78Å; Y91-Y93 PolarHBondContact N-O 3.22Å; Y91-H115 AromaticContact CD2-ND1 3.75Å; Y91-H115 HydrophobicContact CE2-CB 3.94Å; Y91-H115 AromaticContact CE2-CE1 3.73Å; Y91-H115 AromaticContact CE2-CG 3.46Å; Y91-H115 VanDerWaalsContact CE2-CG 3.46Å; Y91-H115 AromaticContact CE2-ND1 3.27Å; Y91-H115 VanDerWaalsContact CE2-ND1 3.27Å; Y91-H115 WeakPolarHBondContact CE2-ND1 3.25Å; Y91-H115 AromaticContact CZ-CG 3.91Å; Y91-H115 WeakPolarHBondContact OH-CB 3.41Å |
| 92 | P | 97.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.4 | 6.4 | 18.7 | 35.1 | -36.9 | 0 | 0 | 0 | 116.1 | W114 H115 | P92-W114 HydrophobicContact CG-CZ3 4.16Å; P92-H115 HydrophobicContact CB-CB 4.19Å; P92-H115 PolarHBondContact O-N 3.23Å; P92-H115 PolarHBondContact O-ND1 3.25Å |
| 93 | Y | 98.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.8 | 172.1 | 178.4 | -106 | 0 | 0 | 0 | 111.1 | A90 Y91 R95 E112 T113 W114 | A90-Y93 CarbonylContact C-O 3.56Å; A90-Y93 WeakPolarHBondContact CA-O 3.2Å; A90-Y93 PolarHBondContact N-O 2.67Å; A90-Y93 PolarHBondContact O-N 2.94Å; Y91-Y93 PolarHBondContact N-O 3.22Å; Y93-R95 HydrophobicContact CE1-CB 4.02Å; Y93-R95 VanDerWaalsContact OH-CZ 3.31Å; Y93-R95 PolarHBondContact OH-NE 3.17Å; Y93-R95 VanDerWaalsContact OH-NE 3.14Å; Y93-R95 PolarHBondContact OH-NH2 3.18Å; Y93-E112 HydrophobicContact CE2-CB 4.28Å; Y93-E112 PolarHBondContact OH-OE1 3.14Å; Y93-T113 WeakPolarHBondContact CA-O 3.12Å; Y93-T113 VanDerWaalsContact CD2-O 3.28Å; Y93-T113 WeakPolarHBondContact CD2-O 3.49Å; Y93-W114 AromaticContact CD2-CD1 3.98Å; Y93-W114 AromaticContact CD2-CD2 3.93Å; Y93-W114 HydrophobicContact CD2-CD2 3.93Å; Y93-W114 AromaticContact CD2-CE2 3.58Å; Y93-W114 HydrophobicContact CD2-CG 4.18Å; Y93-W114 AromaticContact CD2-CZ2 3.97Å; Y93-W114 HydrophobicContact CD2-CZ2 3.97Å; Y93-W114 AromaticContact CD2-NE1 3.61Å; Y93-W114 AromaticContact CE2-NE1 3.94Å; Y93-W114 HydrophobicContact CG-CZ2 4.21Å |
| 94 | C | 97.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.6 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | W88 E112 T113 | W88-C94 WeakPolarHBondContact O-CA 3.13Å; C94-E112 WeakPolarHBondContact O-CA 3.38Å; C94-T113 PolarHBondContact N-O 3.27Å; C94-T113 PolarHBondContact O-N 3.42Å |
| 95 | R | 98.2 | Very high | 95.7 | Very high | 93 Ų | 93 | 55.1 Ų | 55.1 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.8 | 172.8 | 179.3 | -179.2 | -67.8 | 140.7 | -1 | 109.6 | A87 W88 Y93 I97 E112 | A87-R95 CarbonylContact C-O 3.57Å; A87-R95 VanDerWaalsContact CA-O 3.31Å; A87-R95 WeakPolarHBondContact CA-O 3.33Å; W88-R95 PolarHBondContact N-O 3.45Å; W88-R95 PolarHBondContact O-N 2.97Å; Y93-R95 HydrophobicContact CE1-CB 4.02Å; Y93-R95 VanDerWaalsContact OH-CZ 3.31Å; Y93-R95 PolarHBondContact OH-NE 3.17Å; Y93-R95 VanDerWaalsContact OH-NE 3.14Å; Y93-R95 PolarHBondContact OH-NH2 3.18Å; R95-I97 HydrophobicContact CG-CG1 4.4Å; R95-E112 HydrophobicContact CG-CG 4.17Å; R95-E112 IonicContact CZ-OE1 3.87Å; R95-E112 IonicContact NE-OE1 2.71Å; R95-E112 PolarHBondContact NE-OE1 2.86Å; R95-E112 IonicContact NH2-OE1 3.21Å; R95-E112 PolarHBondContact NH2-OE1 3.42Å |
| 96 | T | 98.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.8 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | E85 K86 A87 V98 K110 I111 | E85-T96 HydrophobicContact CG-CG2 3.41Å; E85-T96 VanDerWaalsContact CG-CG2 3.41Å; K86-T96 CarbonylContact O-C 3.6Å; K86-T96 WeakPolarHBondContact O-CA 3.19Å; A87-T96 HydrophobicContact CB-CG2 4.17Å; A87-T96 WeakPolarHBondContact CB-OG1 3.43Å; T96-V98 HydrophobicContact CG2-CG2 4.44Å; T96-K110 CarbonylContact O-C 3.28Å; T96-K110 WeakPolarHBondContact O-CA 3.33Å; T96-I111 PolarHBondContact N-O 3.33Å; T96-I111 PolarHBondContact O-N 3.35Å |
| 97 | I | 98.2 | Very high | 95.3 | Very high | 50 Ų | 50 | 53 Ų | 53 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.8 | 176.1 | -53.9 | 178.7 | 0 | 0 | 0 | 108.1 | K86 W88 R95 T99 I109 K110 | K86-I97 PolarHBondContact N-O 2.94Å; K86-I97 PolarHBondContact O-N 3.26Å; W88-I97 HydrophobicContact CH2-CD1 4.49Å; W88-I97 HydrophobicContact CZ3-CB 4.45Å; W88-I97 HydrophobicContact CZ3-CD1 3.92Å; W88-I97 HydrophobicContact CZ3-CG1 4.11Å; R95-I97 HydrophobicContact CG-CG1 4.4Å; I97-T99 HydrophobicContact CG2-CG2 3.96Å; I97-I109 CarbonylContact C-O 3.57Å; I97-I109 WeakPolarHBondContact CA-O 3.35Å; I97-K110 HydrophobicContact CG1-CG 4.32Å |
| 98 | V | 97.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.8 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | F83 H84 E85 T96 F107 F108 I109 | F83-V98 HydrophobicContact CB-CG1 3.82Å; F83-V98 HydrophobicContact CD1-CG1 4.3Å; F83-V98 HydrophobicContact CG-CG1 4.47Å; H84-V98 CarbonylContact O-C 3.51Å; H84-V98 VanDerWaalsContact O-CA 3.28Å; H84-V98 WeakPolarHBondContact O-CA 3.34Å; E85-V98 HydrophobicContact CB-CG2 4.29Å; E85-V98 HydrophobicContact CG-CG2 4.26Å; T96-V98 HydrophobicContact CG2-CG2 4.44Å; V98-F107 HydrophobicContact CG1-CE1 4.49Å; V98-F108 VanDerWaalsContact O-CA 3.27Å; V98-F108 WeakPolarHBondContact O-CA 3.28Å; V98-I109 HydrophobicContact CB-CB 4.11Å; V98-I109 HydrophobicContact CG2-CB 4.49Å; V98-I109 PolarHBondContact N-O 2.86Å; V98-I109 PolarHBondContact O-N 3.32Å |
| 99 | T | 96.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 164 | 180 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | F83 H84 I97 | F83-T99 CarbonylContact C-O 3.54Å; F83-T99 WeakPolarHBondContact CA-O 3.14Å; H84-T99 PolarHBondContact N-O 3.06Å; H84-T99 PolarHBondContact O-N 2.71Å; I97-T99 HydrophobicContact CG2-CG2 3.96Å |
| 100 | N | 93.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.7 | 177.1 | 175.5 | -96.8 | 0 | 0 | 0 | 109.1 | S80 V82 F83 Y102 M103 K104 F107 | S80-N100 PolarHBondContact O-ND2 2.61Å; V82-N100 PolarHBondContact O-ND2 3.22Å; F83-N100 HydrophobicContact CD1-CB 3.9Å; F83-N100 HydrophobicContact CE1-CB 3.92Å; N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.48Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.44Å; N100-Y102 PolarHBondContact OD1-N 3.36Å; N100-M103 HydrophobicContact CB-CB 4.31Å; N100-M103 HydrophobicContact CB-CE 3.55Å; N100-M103 PolarHBondContact O-N 3.08Å; N100-M103 WeakPolarHBondContact OD1-CG 3.37Å; N100-M103 PolarHBondContact OD1-N 3.11Å; N100-K104 PolarHBondContact O-N 3.07Å; N100-F107 HydrophobicContact CB-CD1 3.62Å; N100-F107 HydrophobicContact CB-CE1 4.07Å; N100-F107 HydrophobicContact CB-CG 4.41Å |
| 101 | E | 90.8 | Very high | 95.3 | Very high | 143 Ų | 143 | 53.6 Ų | 53.6 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -37.6 | -172.8 | -63.1 | -165.8 | 157.7 | 0 | 0 | 112.8 | H84 K104 | H84-E101 IonicContact CE1-OE1 3.36Å; H84-E101 IonicContact NE2-OE1 3.26Å; E101-K104 WeakPolarHBondContact O-CG 3.39Å |
| 102 | Y | 89.4 | Confident | 95.4 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -45.6 | 179 | 172.6 | -107.2 | 0 | 0 | 0 | 111.9 | P77 N100 W202 | P77-Y102 HydrophobicContact CG-CD2 4.19Å; P77-Y102 HydrophobicContact CG-CE1 4.07Å; P77-Y102 HydrophobicContact CG-CE2 3.63Å; N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 3.48Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.44Å; N100-Y102 PolarHBondContact OD1-N 3.36Å; Y102-W202 HydrophobicContact CE1-CH2 4.03Å; Y102-W202 HydrophobicContact CE1-CZ3 4.11Å |
| 103 | M | 89.3 | Confident | 95.5 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.6 | -177.8 | -67.7 | -172.3 | -78 | 0 | 0 | 114 | F83 N100 D105 S106 F107 F200 | F83-M103 HydrophobicContact CE1-CE 3.98Å; F83-M103 HydrophobicContact CZ-CE 4.48Å; N100-M103 HydrophobicContact CB-CB 4.31Å; N100-M103 HydrophobicContact CB-CE 3.55Å; N100-M103 PolarHBondContact O-N 3.08Å; N100-M103 WeakPolarHBondContact OD1-CG 3.37Å; N100-M103 PolarHBondContact OD1-N 3.11Å; M103-D105 PolarHBondContact O-N 2.68Å; M103-S106 WeakPolarHBondContact O-CB 3.35Å; M103-S106 PolarHBondContact O-N 2.87Å; M103-F107 HydrophobicContact CB-CB 3.53Å; M103-F107 HydrophobicContact CE-CB 3.61Å; M103-F107 HydrophobicContact CE-CD1 3.78Å; M103-F107 HydrophobicContact CE-CD2 3.72Å; M103-F107 HydrophobicContact CE-CE1 4.36Å; M103-F107 HydrophobicContact CE-CE2 4.25Å; M103-F107 HydrophobicContact CE-CG 3.4Å; M103-F107 HydrophobicContact CG-CB 4.22Å; M103-F107 HydrophobicContact SD-CB 3.69Å; M103-F107 HydrophobicContact SD-CD2 4.33Å; M103-F107 HydrophobicContact SD-CG 4.09Å; M103-F200 HydrophobicContact CE-CE2 4.49Å; M103-F200 HydrophobicContact SD-CD2 3.85Å; M103-F200 HydrophobicContact SD-CE2 3.46Å; M103-F200 WeakPolarHBondContact SD-CE2 3.21Å |
| 104 | K | 90.8 | Very high | 95.5 | Very high | 158 Ų | 158 | 53.1 Ų | 53.1 | 69% | 0.687 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | 48.8 | -133.3 | -179.2 | -55.5 | -179.2 | -179.4 | 179.4 | 0 | 110.9 | N100 E101 S106 F107 | N100-K104 PolarHBondContact O-N 3.07Å; E101-K104 WeakPolarHBondContact O-CG 3.39Å; K104-S106 PolarHBondContact O-N 3.33Å; K104-S106 VanDerWaalsContact O-N 3.08Å; K104-F107 PolarHBondContact O-N 2.92Å |
| 105 | D | 92.3 | Very high | 95.5 | Very high | 137 Ų | 137 | 52.8 Ų | 52.8 | 73% | 0.733 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -67.1 | -7.9 | 179.9 | -58.3 | -41.4 | 0 | 0 | 0 | 114.3 | M103 F107 K199 | M103-D105 PolarHBondContact O-N 2.68Å; D105-F107 VanDerWaalsContact C-N 3.25Å; D105-K199 WeakPolarHBondContact O-CE 3.31Å; D105-K199 PolarHBondContact O-NZ 3.33Å |
| 106 | S | 91.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -77.3 | -12.6 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | M103 K104 F200 K201 | M103-S106 WeakPolarHBondContact O-CB 3.35Å; M103-S106 PolarHBondContact O-N 2.87Å; K104-S106 PolarHBondContact O-N 3.33Å; K104-S106 VanDerWaalsContact O-N 3.08Å; S106-F200 CarbonylContact O-C 3.59Å; S106-F200 VanDerWaalsContact O-CA 3.32Å; S106-F200 WeakPolarHBondContact O-CA 3.42Å; S106-K201 PolarHBondContact O-N 2.8Å |
| 107 | F | 93.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132.4 | 178.1 | 172.8 | -96 | 0 | 0 | 0 | 112.9 | F83 V98 N100 M103 K104 D105 I109 K199 F200 I213 | F83-F107 HydrophobicContact CD1-CD1 4.42Å; F83-F107 AromaticContact CD1-CE1 3.53Å; F83-F107 HydrophobicContact CD1-CE1 3.53Å; F83-F107 AromaticContact CD1-CZ 3.81Å; F83-F107 HydrophobicContact CD1-CZ 3.81Å; F83-F107 HydrophobicContact CE1-CD1 4.31Å; F83-F107 AromaticContact CE1-CE1 3.58Å; F83-F107 HydrophobicContact CE1-CE1 3.58Å; F83-F107 HydrophobicContact CE1-CE2 4.33Å; F83-F107 AromaticContact CE1-CZ 3.56Å; F83-F107 HydrophobicContact CE1-CZ 3.56Å; V98-F107 HydrophobicContact CG1-CE1 4.49Å; N100-F107 HydrophobicContact CB-CD1 3.62Å; N100-F107 HydrophobicContact CB-CE1 4.07Å; N100-F107 HydrophobicContact CB-CG 4.41Å; M103-F107 HydrophobicContact CB-CB 3.53Å; M103-F107 HydrophobicContact CE-CB 3.61Å; M103-F107 HydrophobicContact CE-CD1 3.78Å; M103-F107 HydrophobicContact CE-CD2 3.72Å; M103-F107 HydrophobicContact CE-CE1 4.36Å; M103-F107 HydrophobicContact CE-CE2 4.25Å; M103-F107 HydrophobicContact CE-CG 3.4Å; M103-F107 HydrophobicContact CG-CB 4.22Å; M103-F107 HydrophobicContact SD-CB 3.69Å; M103-F107 HydrophobicContact SD-CD2 4.33Å; M103-F107 HydrophobicContact SD-CG 4.09Å; K104-F107 PolarHBondContact O-N 2.92Å; D105-F107 VanDerWaalsContact C-N 3.25Å; F107-I109 HydrophobicContact CE2-CD1 4.23Å; F107-I109 HydrophobicContact CE2-CG1 4.01Å; F107-I109 HydrophobicContact CZ-CD1 3.76Å; F107-I109 HydrophobicContact CZ-CG1 3.72Å; F107-K199 VanDerWaalsContact CA-O 3.27Å; F107-K199 WeakPolarHBondContact CA-O 3.24Å; F107-F200 AromaticContact CD2-CD2 3.94Å; F107-F200 HydrophobicContact CD2-CD2 3.94Å; F107-I213 HydrophobicContact CE2-CD1 3.85Å |
| 108 | F | 96.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 155.3 | 154.7 | 67 | -102.4 | 0 | 0 | 0 | 111 | L2 V98 K110 T197 K199 | L2-F108 HydrophobicContact CD2-CE1 4.27Å; L2-F108 HydrophobicContact CD2-CZ 3.74Å; V98-F108 VanDerWaalsContact O-CA 3.27Å; V98-F108 WeakPolarHBondContact O-CA 3.28Å; F108-K110 HydrophobicContact CD2-CB 4Å; F108-K110 HydrophobicContact CE2-CB 4.09Å; F108-T197 HydrophobicContact CE2-CG2 3.78Å; F108-T197 HydrophobicContact CZ-CG2 4.22Å; F108-K199 HydrophobicContact CD1-CB 3.63Å; F108-K199 HydrophobicContact CD1-CD 3.62Å; F108-K199 HydrophobicContact CD1-CG 4.24Å; F108-K199 HydrophobicContact CD2-CB 4.32Å; F108-K199 HydrophobicContact CE1-CB 3.46Å; F108-K199 VanDerWaalsContact CE1-CB 3.46Å; F108-K199 HydrophobicContact CE1-CD 3.26Å; F108-K199 HydrophobicContact CE1-CG 4Å; F108-K199 HydrophobicContact CE2-CB 4.15Å; F108-K199 HydrophobicContact CG-CB 4.07Å; F108-K199 HydrophobicContact CZ-CB 3.72Å; F108-K199 HydrophobicContact CZ-CD 4.16Å; F108-K199 PolarHBondContact N-O 2.99Å; F108-K199 PolarHBondContact O-N 3.3Å |
| 109 | I | 97.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.6 | 160.9 | -52.9 | 168.1 | 0 | 0 | 0 | 106.3 | I97 V98 F107 I111 V196 T197 V198 I213 | I97-I109 CarbonylContact C-O 3.57Å; I97-I109 WeakPolarHBondContact CA-O 3.35Å; V98-I109 HydrophobicContact CB-CB 4.11Å; V98-I109 HydrophobicContact CG2-CB 4.49Å; V98-I109 PolarHBondContact N-O 2.86Å; V98-I109 PolarHBondContact O-N 3.32Å; F107-I109 HydrophobicContact CE2-CD1 4.23Å; F107-I109 HydrophobicContact CE2-CG1 4.01Å; F107-I109 HydrophobicContact CZ-CD1 3.76Å; F107-I109 HydrophobicContact CZ-CG1 3.72Å; I109-I111 HydrophobicContact CG2-CG1 4.19Å; I109-V196 HydrophobicContact CG2-CG1 4.14Å; I109-T197 WeakPolarHBondContact CA-O 3.47Å; I109-V198 HydrophobicContact CG2-CG2 4.46Å; I109-I213 HydrophobicContact CD1-CD1 4.41Å; I109-I213 HydrophobicContact CD1-CG2 3.51Å; I109-I213 HydrophobicContact CG1-CG2 3.9Å |
| 110 | K | 98.5 | Very high | 95.4 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.1 | 175.1 | 178.2 | -179.6 | 60.6 | 148 | 0 | 108.5 | T96 I97 F108 E112 V196 T197 | T96-K110 CarbonylContact O-C 3.28Å; T96-K110 WeakPolarHBondContact O-CA 3.33Å; I97-K110 HydrophobicContact CG1-CG 4.32Å; F108-K110 HydrophobicContact CD2-CB 4Å; F108-K110 HydrophobicContact CE2-CB 4.09Å; K110-E112 HydrophobicContact CD-CG 4.17Å; K110-E112 VanDerWaalsContact CE-OE2 3.23Å; K110-E112 WeakPolarHBondContact CE-OE2 3.43Å; K110-E112 HydrophobicContact CG-CG 4.08Å; K110-E112 IonicContact NZ-OE2 2.82Å; K110-E112 PolarHBondContact NZ-OE2 2.7Å; K110-V196 CarbonylContact O-C 3.15Å; K110-V196 WeakPolarHBondContact O-CA 3.38Å; K110-T197 PolarHBondContact N-O 3.45Å; K110-T197 PolarHBondContact O-N 3.47Å |
| 111 | I | 98.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.1 | 177.1 | -52.1 | 169.6 | 0 | 0 | 0 | 107 | T96 I109 K194 L195 V196 E217 F221 | T96-I111 PolarHBondContact N-O 3.33Å; T96-I111 PolarHBondContact O-N 3.35Å; I109-I111 HydrophobicContact CG2-CG1 4.19Å; I111-K194 HydrophobicContact CG2-CB 4.44Å; I111-L195 WeakPolarHBondContact CA-O 3.15Å; I111-V196 HydrophobicContact CG1-CG2 4.4Å; I111-E217 WeakPolarHBondContact CD1-OE2 3.19Å; I111-F221 HydrophobicContact CD1-CE1 4.47Å; I111-F221 HydrophobicContact CD1-CZ 4.14Å; I111-F221 HydrophobicContact CG2-CZ 4.17Å |
| 112 | E | 98.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129 | 172.5 | -65.9 | 179.3 | 101.4 | 0 | 0 | 107.4 | Y93 C94 R95 K110 H126 K194 L195 | Y93-E112 HydrophobicContact CE2-CB 4.28Å; Y93-E112 PolarHBondContact OH-OE1 3.14Å; C94-E112 WeakPolarHBondContact O-CA 3.38Å; R95-E112 HydrophobicContact CG-CG 4.17Å; R95-E112 IonicContact CZ-OE1 3.87Å; R95-E112 IonicContact NE-OE1 2.71Å; R95-E112 PolarHBondContact NE-OE1 2.86Å; R95-E112 IonicContact NH2-OE1 3.21Å; R95-E112 PolarHBondContact NH2-OE1 3.42Å; K110-E112 HydrophobicContact CD-CG 4.17Å; K110-E112 VanDerWaalsContact CE-OE2 3.23Å; K110-E112 WeakPolarHBondContact CE-OE2 3.43Å; K110-E112 HydrophobicContact CG-CG 4.08Å; K110-E112 IonicContact NZ-OE2 2.82Å; K110-E112 PolarHBondContact NZ-OE2 2.7Å; E112-H126 PolarHBondContact O-NE2 3.3Å; E112-K194 CarbonylContact O-C 3.46Å; E112-L195 PolarHBondContact N-O 3.09Å; E112-L195 PolarHBondContact O-N 3.37Å |
| 113 | T | 98.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.6 | -176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | Y93 C94 H115 A192 Y193 K194 | Y93-T113 WeakPolarHBondContact CA-O 3.12Å; Y93-T113 VanDerWaalsContact CD2-O 3.28Å; Y93-T113 WeakPolarHBondContact CD2-O 3.49Å; C94-T113 PolarHBondContact N-O 3.27Å; C94-T113 PolarHBondContact O-N 3.42Å; T113-H115 WeakPolarHBondContact CG2-CE1 3.36Å; T113-H115 VanDerWaalsContact CG2-NE2 3.28Å; T113-H115 WeakPolarHBondContact CG2-NE2 3.33Å; T113-A192 HydrophobicContact CG2-CB 4.45Å; T113-Y193 VanDerWaalsContact CA-O 3.27Å; T113-Y193 WeakPolarHBondContact CA-O 3.36Å; T113-K194 HydrophobicContact CG2-CG 3.86Å |
| 114 | W | 98.8 | Very high | 96.7 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.8 | 160.5 | -83.9 | 105 | 0 | 0 | 0 | 110.5 | P92 Y93 K116 V125 H126 Y193 | P92-W114 HydrophobicContact CG-CZ3 4.16Å; Y93-W114 AromaticContact CD2-CD1 3.98Å; Y93-W114 AromaticContact CD2-CD2 3.93Å; Y93-W114 HydrophobicContact CD2-CD2 3.93Å; Y93-W114 AromaticContact CD2-CE2 3.58Å; Y93-W114 HydrophobicContact CD2-CG 4.18Å; Y93-W114 AromaticContact CD2-CZ2 3.97Å; Y93-W114 HydrophobicContact CD2-CZ2 3.97Å; Y93-W114 AromaticContact CD2-NE1 3.61Å; Y93-W114 AromaticContact CE2-NE1 3.94Å; Y93-W114 HydrophobicContact CG-CZ2 4.21Å; W114-K116 HydrophobicContact CB-CG 4.39Å; W114-V125 HydrophobicContact CB-CG2 4.22Å; W114-H126 AromaticContact CD1-CD2 3.57Å; W114-H126 AromaticContact CD1-NE2 3.57Å; W114-Y193 PolarHBondContact N-O 3.49Å; W114-Y193 VanDerWaalsContact N-O 3.1Å; W114-Y193 PolarHBondContact O-N 3.05Å |
| 115 | H | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.4 | 168.2 | -50.2 | 88.3 | 0 | 0 | 0 | 108 | Y18 Y91 P92 T113 | Y18-H115 AromaticContact CD1-CD2 3.54Å; Y18-H115 AromaticContact CD1-NE2 3.91Å; Y18-H115 AromaticContact CE1-CD2 3.2Å; Y18-H115 WeakPolarHBondContact CE1-CD2 3.45Å; Y18-H115 AromaticContact CE1-NE2 3.17Å; Y18-H115 WeakPolarHBondContact CE1-NE2 3.23Å; Y18-H115 AromaticContact CZ-CD2 3.97Å; Y18-H115 AromaticContact CZ-NE2 3.93Å; Y91-H115 AromaticContact CD2-ND1 3.75Å; Y91-H115 HydrophobicContact CE2-CB 3.94Å; Y91-H115 AromaticContact CE2-CE1 3.73Å; Y91-H115 AromaticContact CE2-CG 3.46Å; Y91-H115 VanDerWaalsContact CE2-CG 3.46Å; Y91-H115 AromaticContact CE2-ND1 3.27Å; Y91-H115 VanDerWaalsContact CE2-ND1 3.27Å; Y91-H115 WeakPolarHBondContact CE2-ND1 3.25Å; Y91-H115 AromaticContact CZ-CG 3.91Å; Y91-H115 WeakPolarHBondContact OH-CB 3.41Å; P92-H115 HydrophobicContact CB-CB 4.19Å; P92-H115 PolarHBondContact O-N 3.23Å; P92-H115 PolarHBondContact O-ND1 3.25Å; T113-H115 WeakPolarHBondContact CG2-CE1 3.36Å; T113-H115 VanDerWaalsContact CG2-NE2 3.28Å; T113-H115 WeakPolarHBondContact CG2-NE2 3.33Å |
| 116 | K | 98.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144 | -175.9 | -60.2 | -64.2 | -172.8 | -173.1 | 0 | 110.6 | W114 D118 M190 C191 Y193 | W114-K116 HydrophobicContact CB-CG 4.39Å; K116-D118 PolarHBondContact O-N 3.21Å; K116-M190 CarbonylContact O-C 3.34Å; K116-M190 VanDerWaalsContact O-CA 3.23Å; K116-M190 WeakPolarHBondContact O-CA 3.17Å; K116-M190 WeakPolarHBondContact O-CB 3.28Å; K116-C191 PolarHBondContact N-O 3.36Å; K116-C191 PolarHBondContact O-N 2.83Å; K116-Y193 HydrophobicContact CB-CD2 4.35Å; K116-Y193 HydrophobicContact CB-CE2 3.94Å; K116-Y193 HydrophobicContact CG-CD2 4.05Å; K116-Y193 HydrophobicContact CG-CE2 3.96Å |
| 117 | P | 97.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -80.8 | 59.9 | 178.3 | 35.2 | -36.5 | 0 | 0 | 0 | 111 | I15 | I15-P117 HydrophobicContact CG2-CB 4.25Š|
| 118 | D | 96.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -142 | -173.8 | 179.3 | 69.8 | 27.1 | 0 | 0 | 0 | 112.2 | K116 G120 Q122 M190 C191 Y193 | K116-D118 PolarHBondContact O-N 3.21Å; D118-G120 PolarHBondContact OD1-N 2.81Å; D118-Q122 WeakPolarHBondContact OD2-CG 3.49Å; D118-Q122 PolarHBondContact OD2-NE2 3.16Å; D118-M190 CarbonylContact O-C 3.55Å; D118-M190 WeakPolarHBondContact O-CA 3.41Å; D118-C191 PolarHBondContact O-N 3.04Å; D118-C191 VanDerWaalsContact OD1-CB 3.31Å; D118-C191 WeakPolarHBondContact OD1-CB 3.16Å; D118-Y193 WeakPolarHBondContact OD1-CE2 3.3Å; D118-Y193 PolarHBondContact OD1-OH 3.24Å; D118-Y193 VanDerWaalsContact OD1-OH 3.12Å; D118-Y193 PolarHBondContact OD2-OH 2.83Å; D118-Y193 VanDerWaalsContact OD2-OH 3.13Å |
| 119 | M | 97.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 22% | 0.222 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -101.7 | 23.8 | -179.3 | -63.5 | -61 | -70.3 | 0 | 0 | 113.3 | V10 K178 L181 A182 K189 | V10-M119 HydrophobicContact CG1-CE 3.66Å; V10-M119 HydrophobicContact CG1-SD 3.96Å; V10-M119 WeakPolarHBondContact CG2-O 3.46Å; M119-K178 HydrophobicContact CE-CB 4.46Å; M119-K178 WeakPolarHBondContact CE-O 3.46Å; M119-L181 HydrophobicContact CE-CB 4.2Å; M119-L181 HydrophobicContact CE-CD2 4.07Å; M119-L181 HydrophobicContact CE-CG 4.17Å; M119-L181 HydrophobicContact SD-CD2 4.17Å; M119-L181 HydrophobicContact SD-CG 4.24Å; M119-A182 HydrophobicContact CE-CB 4.19Å; M119-A182 HydrophobicContact CG-CB 4.44Å; M119-K189 HydrophobicContact CG-CD 4.06Å; M119-K189 HydrophobicContact SD-CB 3.83Å; M119-K189 HydrophobicContact SD-CD 3.56Å; M119-K189 VanDerWaalsContact SD-CD 3.56Å; M119-K189 HydrophobicContact SD-CG 4.04Å |
| 120 | G | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 83.2 | 20.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R8 D118 C191 Y193 | R8-G120 WeakPolarHBondContact CD-O 3.27Å; R8-G120 PolarHBondContact NH1-O 3Å; D118-G120 PolarHBondContact OD1-N 2.81Å; G120-C191 WeakPolarHBondContact CA-SG 3.48Å; G120-Y193 WeakPolarHBondContact CA-OH 3.48Å |
| 121 | T | 96.2 | Very high | 97.4 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 64% | 0.644 | 30% | 0.303 | S | S | * | . | trans | -91.1 | -17.6 | -173.3 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | E123 Y193 | T121-E123 PolarHBondContact O-N 3Å; T121-Y193 PolarHBondContact N-OH 3Å; T121-Y193 VanDerWaalsContact N-OH 3.12Å | ||
| 122 | Q | 97.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | trans | -66.6 | 131.3 | 176.7 | -64 | -177.9 | 57.9 | 0 | 0 | 112.5 | R8 D118 V125 Y193 | R8-Q122 PolarHBondContact NH2-O 3.31Å; D118-Q122 WeakPolarHBondContact OD2-CG 3.49Å; D118-Q122 PolarHBondContact OD2-NE2 3.16Å; Q122-V125 HydrophobicContact CB-CG1 3.3Å; Q122-V125 HydrophobicContact CG-CG1 4.31Å; Q122-Y193 HydrophobicContact CB-CE1 4.39Å; Q122-Y193 WeakPolarHBondContact CB-OH 3.16Å; Q122-Y193 PolarHBondContact N-OH 2.84Å; Q122-Y193 VanDerWaalsContact O-CE1 3.3Å; Q122-Y193 WeakPolarHBondContact O-CE1 3.46Å | ||
| 123 | E | 97.8 | Very high | 97.1 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -91.5 | 142.3 | 173.6 | -67.6 | -54.2 | 128.1 | 0 | 0 | 111.1 | R8 T121 V125 W133 | R8-E123 IonicContact CZ-OE1 3.95Å; R8-E123 VanDerWaalsContact CZ-OE1 3.29Å; R8-E123 IonicContact NH1-OE1 3.48Å; R8-E123 PolarHBondContact NH1-OE1 2.78Å; R8-E123 IonicContact NH2-OE1 3.65Å; R8-E123 PolarHBondContact NH2-OE1 2.87Å; R8-E123 IonicContact NH2-OE2 3.8Å; R8-E123 PolarHBondContact NH2-OE2 3.08Å; R8-E123 VanDerWaalsContact NH2-OE2 3.08Å; T121-E123 PolarHBondContact O-N 3Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.26Å; E123-W133 WeakPolarHBondContact OE2-CZ2 3.17Å |
| 124 | N | 97.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | trans | 45.7 | 46.9 | 176.6 | -162.5 | 9.8 | 0 | 0 | 0 | 115.1 | H126 K127 V128 W133 | N124-H126 PolarHBondContact O-N 2.82Å; N124-K127 PolarHBondContact O-N 3.4Å; N124-K127 PolarHBondContact OD1-N 3.05Å; N124-V128 PolarHBondContact ND2-O 3.13Å; N124-V128 PolarHBondContact OD1-N 3.27Å; N124-W133 HydrophobicContact CB-CD2 3.62Å; N124-W133 HydrophobicContact CB-CE3 4Å; N124-W133 HydrophobicContact CB-CG 4.05Å; N124-W133 HydrophobicContact CB-CH2 4.32Å; N124-W133 HydrophobicContact CB-CZ2 3.96Å; N124-W133 HydrophobicContact CB-CZ3 4.33Å | ||
| 125 | V | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.5 | -178.7 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | W114 Q122 E123 K127 Y193 | W114-V125 HydrophobicContact CB-CG2 4.22Å; Q122-V125 HydrophobicContact CB-CG1 3.3Å; Q122-V125 HydrophobicContact CG-CG1 4.31Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.26Å; V125-K127 VanDerWaalsContact C-N 3.3Å; V125-Y193 HydrophobicContact CG1-CD1 4.05Å; V125-Y193 HydrophobicContact CG1-CE1 3.96Å; V125-Y193 HydrophobicContact CG1-CE2 4.46Å; V125-Y193 HydrophobicContact CG1-CG 4.32Å; V125-Y193 HydrophobicContact CG2-CD1 3.78Å; V125-Y193 HydrophobicContact CG2-CD2 4.39Å; V125-Y193 HydrophobicContact CG2-CG 3.69Å |
| 126 | H | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 14% | 0.139 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.9 | 177.7 | -65.7 | 92.3 | 0 | 0 | 0 | 113.4 | Q6 E112 W114 N124 V128 Y193 L195 | Q6-H126 PolarHBondContact OE1-ND1 3.02Å; E112-H126 PolarHBondContact O-NE2 3.3Å; W114-H126 AromaticContact CD1-CD2 3.57Å; W114-H126 AromaticContact CD1-NE2 3.57Å; N124-H126 PolarHBondContact O-N 2.82Å; H126-V128 HydrophobicContact CB-CG2 3.95Å; H126-V128 PolarHBondContact O-N 2.98Å; H126-Y193 PolarHBondContact CE1-O 3.5Å; H126-L195 HydrophobicContact CB-CD2 3.88Å |
| 127 | K | 97.6 | Very high | 96.6 | Very high | 186 Ų | 186 | 70.4 Ų | 70.4 | 81% | 0.809 | 38% | 0.381 | S | S | * | . | trans | 53.7 | 40.9 | -177 | -54 | 179.8 | -179.1 | 179.7 | 0 | 112.2 | N124 V125 | N124-K127 PolarHBondContact O-N 3.4Å; N124-K127 PolarHBondContact OD1-N 3.05Å; V125-K127 VanDerWaalsContact C-N 3.3Å | ||
| 128 | V | 96.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | trans | -61.1 | 143.1 | 170.7 | 180 | 0 | 0 | 0 | 0 | 108.3 | N124 H126 S130 I132 W133 L195 | N124-V128 PolarHBondContact ND2-O 3.13Å; N124-V128 PolarHBondContact OD1-N 3.27Å; H126-V128 HydrophobicContact CB-CG2 3.95Å; H126-V128 PolarHBondContact O-N 2.98Å; V128-S130 PolarHBondContact O-N 3.4Å; V128-I132 HydrophobicContact CG1-CB 3.76Å; V128-I132 HydrophobicContact CG1-CG2 3.67Å; V128-W133 HydrophobicContact CB-CE3 4.27Å; V128-W133 HydrophobicContact CG2-CE3 4.48Å; V128-L195 HydrophobicContact CG2-CD2 3.57Å | ||
| 129 | D | 96 | Very high | 96.7 | Very high | 95 Ų | 95 | 68.7 Ų | 68.7 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -51.9 | 136.7 | 176.3 | -179.3 | -91.6 | 0 | 0 | 0 | 111.5 | S131 I132 W133 | D129-S131 PolarHBondContact O-N 3.27Å; D129-S131 VanDerWaalsContact O-N 3.14Å; D129-S131 WeakPolarHBondContact OD1-CA 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.49Å; D129-S131 PolarHBondContact OD1-N 2.83Å; D129-S131 PolarHBondContact OD1-OG 3.2Å; D129-I132 HydrophobicContact CB-CD1 4.4Å; D129-I132 PolarHBondContact O-N 2.96Å; D129-W133 PolarHBondContact O-N 2.84Å | ||
| 130 | S | 95.4 | Very high | 96.8 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.3 | -31.9 | -174.8 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | V128 I132 K134 | V128-S130 PolarHBondContact O-N 3.4Å; S130-I132 VanDerWaalsContact C-N 3.29Å; S130-I132 PolarHBondContact O-N 2.9Å; S130-K134 PolarHBondContact O-N 3.08Å |
| 131 | S | 94.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70 | -26.5 | 178 | 75 | 0 | 0 | 0 | 0 | 112.9 | D129 K134 | D129-S131 PolarHBondContact O-N 3.27Å; D129-S131 VanDerWaalsContact O-N 3.14Å; D129-S131 WeakPolarHBondContact OD1-CA 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.49Å; D129-S131 PolarHBondContact OD1-N 2.83Å; D129-S131 PolarHBondContact OD1-OG 3.2Å; S131-K134 WeakPolarHBondContact O-CE 3.2Å; S131-K134 WeakPolarHBondContact O-CG 3.46Å |
| 132 | I | 94.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 66.6 Ų | 66.6 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -87.6 | -45.1 | 174 | -60.4 | 173.7 | 0 | 0 | 0 | 109.4 | L4 V128 D129 S130 K134 N135 V136 | L4-I132 HydrophobicContact CD2-CG2 3.98Å; V128-I132 HydrophobicContact CG1-CB 3.76Å; V128-I132 HydrophobicContact CG1-CG2 3.67Å; D129-I132 HydrophobicContact CB-CD1 4.4Å; D129-I132 PolarHBondContact O-N 2.96Å; S130-I132 VanDerWaalsContact C-N 3.29Å; S130-I132 PolarHBondContact O-N 2.9Å; I132-K134 VanDerWaalsContact C-N 3.25Å; I132-K134 PolarHBondContact O-N 2.88Å; I132-N135 PolarHBondContact O-N 3.12Å; I132-V136 HydrophobicContact CG2-CG2 4.48Å |
| 133 | W | 96.8 | Very high | 97 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 17% | 0.167 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.8 | -38.1 | -175.3 | -179.5 | -105.9 | 0 | 0 | 0 | 113.1 | E123 N124 V128 D129 N135 V136 V138 | E123-W133 WeakPolarHBondContact OE2-CZ2 3.17Å; N124-W133 HydrophobicContact CB-CD2 3.62Å; N124-W133 HydrophobicContact CB-CE3 4Å; N124-W133 HydrophobicContact CB-CG 4.05Å; N124-W133 HydrophobicContact CB-CH2 4.32Å; N124-W133 HydrophobicContact CB-CZ2 3.96Å; N124-W133 HydrophobicContact CB-CZ3 4.33Å; V128-W133 HydrophobicContact CB-CE3 4.27Å; V128-W133 HydrophobicContact CG2-CE3 4.48Å; D129-W133 PolarHBondContact O-N 2.84Å; W133-N135 PolarHBondContact O-N 3.41Å; W133-V136 HydrophobicContact CD2-CB 4.5Å; W133-V136 HydrophobicContact CE3-CB 3.97Å; W133-V136 HydrophobicContact CE3-CG1 4.2Å; W133-V136 HydrophobicContact CE3-CG2 4Å; W133-V136 HydrophobicContact CH2-CG1 4.45Å; W133-V136 HydrophobicContact CZ3-CB 4.14Å; W133-V136 HydrophobicContact CZ3-CG1 3.87Å; W133-V136 HydrophobicContact CZ3-CG2 4.47Å; W133-V136 WeakPolarHBondContact O-CB 3.41Å; W133-V136 PolarHBondContact O-N 3.24Å; W133-V138 HydrophobicContact CH2-CG2 4.46Å; W133-V138 HydrophobicContact CZ2-CG2 4.45Å |
| 134 | K | 95.6 | Very high | 97 | Very high | 154 Ų | 154 | 57.9 Ų | 57.9 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.3 | 177.4 | 71.9 | -176.2 | -173.3 | 179 | 0 | 114.4 | S130 S131 I132 | S130-K134 PolarHBondContact O-N 3.08Å; S131-K134 WeakPolarHBondContact O-CE 3.2Å; S131-K134 WeakPolarHBondContact O-CG 3.46Å; I132-K134 VanDerWaalsContact C-N 3.25Å; I132-K134 PolarHBondContact O-N 2.88Å |
| 135 | N | 94.9 | Very high | 97.1 | Very high | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1.8 | 179.9 | -62.9 | -33.8 | 0 | 0 | 0 | 112.6 | I132 W133 A137 | I132-N135 PolarHBondContact O-N 3.12Å; W133-N135 PolarHBondContact O-N 3.41Å; N135-A137 PolarHBondContact O-N 2.74Å |
| 136 | V | 97.1 | Very high | 97 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -79 | 114.4 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | L4 Q6 I132 W133 V138 L195 | L4-V136 HydrophobicContact CB-CG2 3.89Å; L4-V136 HydrophobicContact CD2-CG2 4.24Å; Q6-V136 HydrophobicContact CB-CG1 4.05Å; I132-V136 HydrophobicContact CG2-CG2 4.48Å; W133-V136 HydrophobicContact CD2-CB 4.5Å; W133-V136 HydrophobicContact CE3-CB 3.97Å; W133-V136 HydrophobicContact CE3-CG1 4.2Å; W133-V136 HydrophobicContact CE3-CG2 4Å; W133-V136 HydrophobicContact CH2-CG1 4.45Å; W133-V136 HydrophobicContact CZ3-CB 4.14Å; W133-V136 HydrophobicContact CZ3-CG1 3.87Å; W133-V136 HydrophobicContact CZ3-CG2 4.47Å; W133-V136 WeakPolarHBondContact O-CB 3.41Å; W133-V136 PolarHBondContact O-N 3.24Å; V136-V138 PolarHBondContact O-N 2.96Å; V136-L195 HydrophobicContact CG1-CD1 4Å | ||
| 137 | A | 96.9 | Very high | 97 | Very high | 48 Ų | 48 | 66 Ų | 66 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K5 Q6 N135 | K5-A137 CarbonylContact C-O 3.52Å; K5-A137 WeakPolarHBondContact CA-O 3.23Å; K5-A137 HydrophobicContact CG-CB 4.29Å; Q6-A137 PolarHBondContact N-O 3.18Å; N135-A137 PolarHBondContact O-N 2.74Å |
| 138 | V | 98.1 | Very high | 97 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 34% | 0.339 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.6 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | Q6 R8 W133 V136 | Q6-V138 WeakPolarHBondContact O-CA 3.17Å; R8-V138 HydrophobicContact CG-CG1 4.11Å; W133-V138 HydrophobicContact CH2-CG2 4.46Å; W133-V138 HydrophobicContact CZ2-CG2 4.45Å; V136-V138 PolarHBondContact O-N 2.96Å |
| 139 | V | 98.2 | Very high | 97 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 102.8 | -176.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | K5 Q6 N7 R8 K218 | K5-V139 HydrophobicContact CB-CG2 4.35Å; K5-V139 HydrophobicContact CD-CG2 4.33Å; Q6-V139 PolarHBondContact O-N 2.79Å; N7-V139 CarbonylContact C-O 3.59Å; N7-V139 VanDerWaalsContact CA-O 3.25Å; N7-V139 WeakPolarHBondContact CA-O 3.48Å; N7-V139 WeakPolarHBondContact OD1-CB 3.23Å; N7-V139 WeakPolarHBondContact OD1-CG1 3.46Å; R8-V139 PolarHBondContact N-O 2.95Å; V139-K218 HydrophobicContact CG1-CD 3.93Å; V139-K218 HydrophobicContact CG1-CG 4.36Å |
| 140 | P | 98 | Very high | 96.9 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 138.2 | 173.5 | 29 | -32.7 | 0 | 0 | 0 | 109.9 | ||
| 141 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.3 | 168.6 | -63.9 | -178.9 | 0 | 0 | 0 | 107.5 | N7 R8 V9 K218 F221 | N7-I141 HydrophobicContact CB-CD1 4.02Å; R8-I141 PolarHBondContact O-N 2.91Å; V9-I141 HydrophobicContact CG1-CB 4.46Å; V9-I141 HydrophobicContact CG1-CG2 4.31Å; V9-I141 HydrophobicContact CG2-CB 4.09Å; V9-I141 HydrophobicContact CG2-CD1 4.06Å; V9-I141 HydrophobicContact CG2-CG1 4.49Å; V9-I141 HydrophobicContact CG2-CG2 4.49Å; I141-K218 HydrophobicContact CD1-CG 4.3Å; I141-K218 HydrophobicContact CG1-CG 4.48Å; I141-F221 HydrophobicContact CD1-CB 3.47Å; I141-F221 VanDerWaalsContact CD1-CB 3.47Å; I141-F221 HydrophobicContact CD1-CD2 4.21Å; I141-F221 HydrophobicContact CD1-CG 4.37Å |
| 142 | D | 98.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 57 Ų | 57 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | trans | -112.3 | 109.9 | 174 | -162.3 | -31.3 | 0 | 0 | 0 | 109.6 | A144 D145 W177 K178 | D142-A144 PolarHBondContact O-N 3.48Å; D142-A144 PolarHBondContact OD1-N 2.8Å; D142-A144 VanDerWaalsContact OD1-N 3.08Å; D142-D145 HydrophobicContact CB-CB 3.69Å; D142-D145 PolarHBondContact O-N 2.9Å; D142-W177 PolarHBondContact OD1-NE1 3.26Å; D142-K178 VanDerWaalsContact CB-NZ 3.31Å; D142-K178 IonicContact OD1-NZ 3.58Å; D142-K178 WeakPolarHBondContact OD2-CE 3.44Å; D142-K178 IonicContact OD2-NZ 2.83Å; D142-K178 PolarHBondContact OD2-NZ 2.84Å | ||
| 143 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.7 | -176.3 | 60.1 | 163.1 | 0 | 0 | 0 | 112.7 | V9 L11 P160 L173 W177 H225 R226 F229 | V9-I143 HydrophobicContact CG1-CG2 4.12Å; L11-I143 HydrophobicContact CD2-CD1 3.82Å; L11-I143 HydrophobicContact CD2-CG2 4.26Å; I143-P160 HydrophobicContact CB-CG 4.32Å; I143-P160 HydrophobicContact CD1-CB 4.47Å; I143-P160 HydrophobicContact CD1-CG 4.31Å; I143-P160 HydrophobicContact CG1-CG 4.49Å; I143-P160 WeakPolarHBondContact O-CG 3.48Å; I143-L173 HydrophobicContact CD1-CD1 3.56Å; I143-L173 HydrophobicContact CG1-CD1 3.85Å; I143-W177 HydrophobicContact CG1-CH2 4.34Å; I143-W177 HydrophobicContact CG1-CZ2 3.97Å; I143-H225 HydrophobicContact CG2-CB 3.62Å; I143-R226 HydrophobicContact CB-CG 3.95Å; I143-R226 HydrophobicContact CG2-CG 4.38Å; I143-R226 VanDerWaalsContact O-CG 3.28Å; I143-R226 WeakPolarHBondContact O-CG 3.47Å; I143-R226 PolarHBondContact O-NH1 2.81Å; I143-F229 HydrophobicContact CD1-CB 4.05Å; I143-F229 HydrophobicContact CD1-CG 4.27Å |
| 144 | A | 98.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D142 R146 L173 | D142-A144 PolarHBondContact O-N 3.48Å; D142-A144 PolarHBondContact OD1-N 2.8Å; D142-A144 VanDerWaalsContact OD1-N 3.08Å; A144-R146 PolarHBondContact O-N 3.07Å; A144-L173 HydrophobicContact CB-CB 3.68Å; A144-L173 WeakPolarHBondContact CB-O 3.24Å |
| 145 | D | 98.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | -79.9 | 103.2 | -175.3 | -178.4 | -1.2 | 0 | 0 | 0 | 111.4 | D142 S147 Q148 | D142-D145 HydrophobicContact CB-CB 3.69Å; D142-D145 PolarHBondContact O-N 2.9Å; D145-S147 VanDerWaalsContact CG-OG 3.22Å; D145-S147 PolarHBondContact O-N 2.86Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 VanDerWaalsContact OD1-CB 3.29Å; D145-S147 WeakPolarHBondContact OD1-CB 3.08Å; D145-S147 PolarHBondContact OD1-N 2.94Å; D145-S147 PolarHBondContact OD1-OG 3.26Å; D145-S147 PolarHBondContact OD2-OG 2.87Å; D145-Q148 HydrophobicContact CB-CG 4.16Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.37Å; D145-Q148 PolarHBondContact OD2-NE2 2.82Å | ||
| 146 | R | 97.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -55.5 | -29 | 177.9 | 179.8 | 60.8 | -171 | 85.8 | -8.3 | 113.1 | A144 Q148 V149 Y154 | A144-R146 PolarHBondContact O-N 3.07Å; R146-Q148 PolarHBondContact O-N 2.93Å; R146-V149 PolarHBondContact NH1-O 3.23Å; R146-V149 PolarHBondContact O-N 2.69Å; R146-Y154 VanDerWaalsContact CD-CD2 3.43Å; R146-Y154 VanDerWaalsContact CD-CE2 3.4Å; R146-Y154 VanDerWaalsContact NH2-CG 3.34Å |
| 147 | S | 97.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -69.9 | -17.8 | -178.8 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | D145 V149 | D145-S147 VanDerWaalsContact CG-OG 3.22Å; D145-S147 PolarHBondContact O-N 2.86Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 VanDerWaalsContact OD1-CB 3.29Å; D145-S147 WeakPolarHBondContact OD1-CB 3.08Å; D145-S147 PolarHBondContact OD1-N 2.94Å; D145-S147 PolarHBondContact OD1-OG 3.26Å; D145-S147 PolarHBondContact OD2-OG 2.87Å; S147-V149 VanDerWaalsContact C-N 3.3Å |
| 148 | Q | 97.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -85.9 | -2.4 | 177.8 | -63.8 | -177.6 | 36.2 | 0 | 0 | 113.5 | D145 R146 T222 | D145-Q148 HydrophobicContact CB-CG 4.16Å; D145-Q148 PolarHBondContact O-N 2.84Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.37Å; D145-Q148 PolarHBondContact OD2-NE2 2.82Å; R146-Q148 PolarHBondContact O-N 2.93Å; Q148-T222 HydrophobicContact CB-CG2 4.33Å |
| 149 | V | 97 | Very high | 96.8 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -111.8 | 131.1 | -178.9 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | R146 S147 D153 T222 | R146-V149 PolarHBondContact NH1-O 3.23Å; R146-V149 PolarHBondContact O-N 2.69Å; S147-V149 VanDerWaalsContact C-N 3.3Å; V149-D153 HydrophobicContact CG1-CB 4.02Å; V149-T222 HydrophobicContact CG2-CG2 3.93Å |
| 150 | S | 94.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | trans | -66.4 | 159.8 | 176.1 | 75.3 | 0 | 0 | 0 | 0 | 111.2 | S152 D153 Y154 | S150-S152 VanDerWaalsContact C-N 3.27Å; S150-S152 PolarHBondContact O-N 2.85Å; S150-S152 PolarHBondContact OG-OG 2.88Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å; S150-D153 PolarHBondContact O-N 2.75Å; S150-D153 WeakPolarHBondContact OG-CB 3.29Å; S150-D153 PolarHBondContact OG-N 2.7Å; S150-D153 VanDerWaalsContact OG-N 3.13Å; S150-D153 PolarHBondContact OG-OD2 3.41Å; S150-Y154 PolarHBondContact O-N 3.23Å | ||
| 151 | A | 94 | Very high | 96.8 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 73% | 0.727 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -35.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 152 | S | 91.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.9 | -180 | 52 | 0 | 0 | 0 | 0 | 114 | S150 | S150-S152 VanDerWaalsContact C-N 3.27Å; S150-S152 PolarHBondContact O-N 2.85Å; S150-S152 PolarHBondContact OG-OG 2.88Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å |
| 153 | D | 93.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -15.7 | 179.2 | -60.9 | -29.1 | 0 | 0 | 0 | 113.1 | V149 S150 K155 R219 N223 | V149-D153 HydrophobicContact CG1-CB 4.02Å; S150-D153 PolarHBondContact O-N 2.75Å; S150-D153 WeakPolarHBondContact OG-CB 3.29Å; S150-D153 PolarHBondContact OG-N 2.7Å; S150-D153 VanDerWaalsContact OG-N 3.13Å; S150-D153 PolarHBondContact OG-OD2 3.41Å; D153-K155 PolarHBondContact O-N 3.21Å; D153-R219 IonicContact OD1-CZ 3.08Å; D153-R219 IonicContact OD1-NE 2.81Å; D153-R219 PolarHBondContact OD1-NE 3.15Å; D153-R219 IonicContact OD1-NH2 2.87Å; D153-R219 PolarHBondContact OD1-NH2 2.93Å; D153-R219 IonicContact OD2-CZ 3.56Å; D153-R219 IonicContact OD2-NE 3.29Å; D153-R219 PolarHBondContact OD2-NE 2.87Å; D153-R219 IonicContact OD2-NH2 3.29Å; D153-R219 PolarHBondContact OD2-NH2 2.95Å; D153-N223 VanDerWaalsContact CG-ND2 3.31Å; D153-N223 PolarHBondContact OD2-ND2 3.15Å |
| 154 | Y | 96.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 26% | 0.263 | 33% | 0.334 | S | S | . | . | trans | -72 | 122.5 | -171.7 | 178.2 | -101.6 | 0 | 0 | 0 | 111.6 | R146 S150 P156 D159 | R146-Y154 VanDerWaalsContact CD-CD2 3.43Å; R146-Y154 VanDerWaalsContact CD-CE2 3.4Å; R146-Y154 VanDerWaalsContact NH2-CG 3.34Å; S150-Y154 PolarHBondContact O-N 3.23Å; Y154-P156 HydrophobicContact CE1-CG 4.01Å; Y154-D159 HydrophobicContact CE2-CB 4.07Å; Y154-D159 WeakPolarHBondContact CE2-OD2 3.33Å; Y154-D159 PolarHBondContact OH-OD2 2.9Å | ||
| 155 | K | 95.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | trans | -124.3 | 128.1 | 169.5 | -49.9 | -171.2 | -152.1 | 151.7 | 0 | 109.6 | D153 D157 E158 D159 | D153-K155 PolarHBondContact O-N 3.21Å; K155-D157 VanDerWaalsContact C-N 3.25Å; K155-D157 WeakPolarHBondContact CB-OD1 3.44Å; K155-D157 PolarHBondContact O-N 2.99Å; K155-E158 HydrophobicContact CB-CB 4.2Å; K155-E158 HydrophobicContact CB-CG 4.19Å; K155-E158 HydrophobicContact CD-CG 4.41Å; K155-E158 IonicContact NZ-OE1 2.73Å; K155-E158 PolarHBondContact NZ-OE1 2.68Å; K155-E158 IonicContact NZ-OE2 3.32Å; K155-E158 PolarHBondContact NZ-OE2 2.86Å; K155-E158 CarbonylContact O-C 3.58Å; K155-E158 PolarHBondContact O-N 3.43Å; K155-E158 VanDerWaalsContact O-N 3.07Å; K155-D159 PolarHBondContact O-N 3.46Å | ||
| 156 | P | 96.4 | Very high | 96.7 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59 | -32.9 | -178.6 | -25.9 | 34.2 | 0 | 0 | 0 | 114.4 | Y154 E158 D159 | Y154-P156 HydrophobicContact CE1-CG 4.01Å; P156-E158 VanDerWaalsContact C-N 3.28Å; P156-E158 PolarHBondContact O-N 3.32Å; P156-D159 PolarHBondContact O-N 3.41Å |
| 157 | D | 96.4 | Very high | 96.7 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -78.4 | -9.8 | 178.4 | 61.4 | -49.2 | 0 | 0 | 0 | 113.7 | K155 | K155-D157 VanDerWaalsContact C-N 3.25Å; K155-D157 WeakPolarHBondContact CB-OD1 3.44Å; K155-D157 PolarHBondContact O-N 2.99Å |
| 158 | E | 97.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -112 | 26.5 | 172.9 | -57.5 | 175.3 | 179 | 0 | 0 | 110.6 | K155 P156 P160 R226 Q227 | K155-E158 HydrophobicContact CB-CB 4.2Å; K155-E158 HydrophobicContact CB-CG 4.19Å; K155-E158 HydrophobicContact CD-CG 4.41Å; K155-E158 IonicContact NZ-OE1 2.73Å; K155-E158 PolarHBondContact NZ-OE1 2.68Å; K155-E158 IonicContact NZ-OE2 3.32Å; K155-E158 PolarHBondContact NZ-OE2 2.86Å; K155-E158 CarbonylContact O-C 3.58Å; K155-E158 PolarHBondContact O-N 3.43Å; K155-E158 VanDerWaalsContact O-N 3.07Å; P156-E158 VanDerWaalsContact C-N 3.28Å; P156-E158 PolarHBondContact O-N 3.32Å; E158-P160 WeakPolarHBondContact O-CD 3.47Å; E158-R226 PolarHBondContact O-NE 2.88Å; E158-R226 PolarHBondContact O-NH2 3.47Å; E158-Q227 HydrophobicContact CB-CG 4.14Å; E158-Q227 VanDerWaalsContact CD-NE2 3.34Å; E158-Q227 HydrophobicContact CG-CG 3.94Å; E158-Q227 PolarHBondContact OE1-NE2 2.71Å; E158-Q227 WeakPolarHBondContact OE2-CG 3.3Å; E158-Q227 PolarHBondContact OE2-NE2 3.39Å |
| 159 | D | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.032 | 35% | 0.351 | C | S | . | . | trans | -104.9 | 106.4 | 177.3 | -164.5 | 9.8 | 0 | 0 | 0 | 113.6 | Y154 K155 P156 A161 N162 F163 R226 C230 | Y154-D159 HydrophobicContact CE2-CB 4.07Å; Y154-D159 WeakPolarHBondContact CE2-OD2 3.33Å; Y154-D159 PolarHBondContact OH-OD2 2.9Å; K155-D159 PolarHBondContact O-N 3.46Å; P156-D159 PolarHBondContact O-N 3.41Å; D159-A161 PolarHBondContact O-N 2.74Å; D159-A161 VanDerWaalsContact O-N 3.1Å; D159-A161 PolarHBondContact OD1-N 3.36Å; D159-N162 HydrophobicContact CB-CB 4.32Å; D159-N162 CarbonylContact O-C 3.52Å; D159-N162 PolarHBondContact O-N 3.42Å; D159-N162 PolarHBondContact OD2-ND2 3.31Å; D159-F163 WeakPolarHBondContact O-CB 3.34Å; D159-F163 PolarHBondContact O-N 3.06Å; D159-R226 VanDerWaalsContact CA-NH2 3.27Å; D159-R226 IonicContact OD1-CZ 3.8Å; D159-R226 VanDerWaalsContact OD1-CZ 3.29Å; D159-R226 IonicContact OD1-NH1 2.81Å; D159-R226 PolarHBondContact OD1-NH1 3.05Å; D159-R226 IonicContact OD1-NH2 2.7Å; D159-R226 PolarHBondContact OD1-NH2 2.73Å; D159-R226 IonicContact OD2-NH2 2.75Å; D159-C230 VanDerWaalsContact C-SG 3.56Å | ||
| 160 | P | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.4 | 175.8 | -29.7 | 38.7 | 0 | 0 | 0 | 114.5 | I143 E158 N162 L173 R226 F229 | I143-P160 HydrophobicContact CB-CG 4.32Å; I143-P160 HydrophobicContact CD1-CB 4.47Å; I143-P160 HydrophobicContact CD1-CG 4.31Å; I143-P160 HydrophobicContact CG1-CG 4.49Å; I143-P160 WeakPolarHBondContact O-CG 3.48Å; E158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-N162 PolarHBondContact O-N 3.27Å; P160-L173 HydrophobicContact CB-CB 4.31Å; P160-L173 HydrophobicContact CB-CD1 3.67Å; P160-L173 HydrophobicContact CB-CG 4.02Å; P160-L173 PolarHBondContact O-N 2.9Å; P160-R226 HydrophobicContact CG-CB 4.06Å; P160-R226 HydrophobicContact CG-CG 3.98Å; P160-F229 HydrophobicContact CB-CD1 3.5Å; P160-F229 HydrophobicContact CB-CE1 3.9Å; P160-F229 HydrophobicContact CB-CG 4.41Å; P160-F229 HydrophobicContact CG-CB 4.39Å; P160-F229 HydrophobicContact CG-CD1 3.88Å |
| 161 | A | 98.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | D159 P172 | D159-A161 PolarHBondContact O-N 2.74Å; D159-A161 VanDerWaalsContact O-N 3.1Å; D159-A161 PolarHBondContact OD1-N 3.36Å; A161-P172 WeakPolarHBondContact O-CB 3.36Å |
| 162 | N | 97.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 59.5 Ų | 59.5 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -6.8 | 178.8 | -64.1 | -46.4 | 0 | 0 | 0 | 113.1 | D159 P160 | D159-N162 HydrophobicContact CB-CB 4.32Å; D159-N162 CarbonylContact O-C 3.52Å; D159-N162 PolarHBondContact O-N 3.42Å; D159-N162 PolarHBondContact OD2-ND2 3.31Å; P160-N162 PolarHBondContact O-N 3.27Å |
| 163 | F | 98.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | trans | -98.4 | 131.4 | -175.3 | 175 | -94.2 | 0 | 0 | 0 | 112.2 | D159 G171 P172 F229 C230 I232 | D159-F163 WeakPolarHBondContact O-CB 3.34Å; D159-F163 PolarHBondContact O-N 3.06Å; F163-G171 WeakPolarHBondContact O-CA 3.33Å; F163-P172 WeakPolarHBondContact O-CA 3.37Å; F163-F229 HydrophobicContact CD1-CD1 4.01Å; F163-F229 AromaticContact CD1-CE1 3.73Å; F163-F229 HydrophobicContact CD1-CE1 3.73Å; F163-F229 HydrophobicContact CD1-CZ 4.45Å; F163-F229 HydrophobicContact CE1-CE1 4.45Å; F163-C230 HydrophobicContact CB-CB 4.44Å; F163-C230 HydrophobicContact CD1-CB 4.46Å; F163-C230 HydrophobicContact CD2-CB 4.25Å; F163-C230 WeakPolarHBondContact CE2-O 3.43Å; F163-C230 HydrophobicContact CG-CB 4.11Å; F163-C230 VanDerWaalsContact CZ-O 3.25Å; F163-C230 WeakPolarHBondContact CZ-O 3.49Å; F163-I232 HydrophobicContact CE1-CG2 3.64Å; F163-I232 HydrophobicContact CZ-CG2 3.95Å | ||
| 164 | K | 98.2 | Very high | 97.2 | Very high | 129 Ų | 129 | 59.6 Ų | 59.6 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | trans | -125 | 122.2 | 169.1 | -177.4 | 164.6 | -171.3 | 172.7 | 0 | 110.1 | V166 G169 R170 G171 | K164-V166 PolarHBondContact O-N 2.91Å; K164-G169 WeakPolarHBondContact CE-O 3.46Å; K164-R170 WeakPolarHBondContact CA-O 3.49Å; K164-G171 WeakPolarHBondContact CD-O 3.29Å; K164-G171 VanDerWaalsContact CG-O 3.27Å; K164-G171 WeakPolarHBondContact CG-O 3.18Å | ||
| 165 | S | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -64.7 | 128.9 | 176.2 | 167 | 0 | 0 | 0 | 0 | 110.7 | K167 T168 G169 R170 D233 | S165-K167 PolarHBondContact OG-N 3.08Å; S165-T168 WeakPolarHBondContact CB-OG1 3.39Å; S165-T168 WeakPolarHBondContact OG-CB 3.12Å; S165-T168 PolarHBondContact OG-N 2.65Å; S165-T168 PolarHBondContact OG-OG1 3.15Å; S165-G169 WeakPolarHBondContact O-CA 3.4Å; S165-G169 PolarHBondContact O-N 2.89Å; S165-R170 PolarHBondContact N-O 2.89Å; S165-D233 WeakPolarHBondContact CA-OD2 3.39Å; S165-D233 WeakPolarHBondContact CB-OD1 3.47Å; S165-D233 PolarHBondContact OG-OD1 2.9Å | ||
| 166 | V | 98.3 | Very high | 97.2 | Very high | 136 Ų | 136 | 61 Ų | 61 | 82% | 0.824 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -34.2 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | K164 D233 | K164-V166 PolarHBondContact O-N 2.91Å; V166-D233 PolarHBondContact N-OD1 3.11Å; V166-D233 PolarHBondContact N-OD2 2.82Å |
| 167 | K | 97.8 | Very high | 97.2 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -36.5 | -176.6 | -63.9 | -173.3 | 174.7 | 179.3 | 0 | 113.6 | S165 D233 V236 D237 | S165-K167 PolarHBondContact OG-N 3.08Å; K167-D233 WeakPolarHBondContact CB-OD1 3.32Å; K167-D233 HydrophobicContact CD-CB 4.28Å; K167-D233 WeakPolarHBondContact CD-O 3.38Å; K167-D233 WeakPolarHBondContact CE-O 3.16Å; K167-D233 HydrophobicContact CG-CB 4.31Å; K167-D233 PolarHBondContact N-OD1 2.7Å; K167-D233 VanDerWaalsContact N-OD1 3.08Å; K167-D233 PolarHBondContact NZ-O 2.81Å; K167-V236 HydrophobicContact CB-CG1 4.28Å; K167-V236 HydrophobicContact CD-CG1 3.95Å; K167-D237 VanDerWaalsContact CD-OD2 3.23Å; K167-D237 WeakPolarHBondContact CD-OD2 3.26Å; K167-D237 VanDerWaalsContact CE-OD2 3.31Å; K167-D237 WeakPolarHBondContact CE-OD2 3.41Å; K167-D237 IonicContact NZ-OD2 3.47Å; K167-D237 PolarHBondContact NZ-OD2 3.29Å |
| 168 | T | 95.7 | Very high | 97.2 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -16.1 | -173.9 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | S165 R170 I232 V236 | S165-T168 WeakPolarHBondContact CB-OG1 3.39Å; S165-T168 WeakPolarHBondContact OG-CB 3.12Å; S165-T168 PolarHBondContact OG-N 2.65Å; S165-T168 PolarHBondContact OG-OG1 3.15Å; T168-R170 PolarHBondContact O-N 2.83Å; T168-R170 WeakPolarHBondContact OG1-CB 3.46Å; T168-R170 VanDerWaalsContact OG1-CG 3.31Å; T168-R170 WeakPolarHBondContact OG1-CG 3.44Å; T168-R170 PolarHBondContact OG1-N 2.77Å; T168-I232 HydrophobicContact CG2-CD1 4.17Å; T168-I232 HydrophobicContact CG2-CG1 4.37Å; T168-V236 HydrophobicContact CG2-CB 4.48Å; T168-V236 HydrophobicContact CG2-CG1 4.23Å; T168-V236 HydrophobicContact CG2-CG2 3.92Å |
| 169 | G | 95.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | trans | 71.9 | -0.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K164 S165 | K164-G169 WeakPolarHBondContact CE-O 3.46Å; S165-G169 WeakPolarHBondContact O-CA 3.4Å; S165-G169 PolarHBondContact O-N 2.89Å | ||
| 170 | R | 95.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 15% | 0.151 | 35% | 0.347 | C | S | . | . | trans | -69.8 | 144.8 | 180 | -61.5 | 176.5 | -162.1 | 168.4 | 12.6 | 111.3 | P12 E17 K164 S165 T168 F229 | P12-R170 WeakPolarHBondContact O-CD 3.32Å; P12-R170 PolarHBondContact O-NH1 3.11Å; E17-R170 IonicContact OE1-CZ 3.42Å; E17-R170 IonicContact OE1-NH1 3.36Å; E17-R170 PolarHBondContact OE1-NH1 3.15Å; E17-R170 IonicContact OE1-NH2 3.11Å; E17-R170 PolarHBondContact OE1-NH2 2.83Å; E17-R170 IonicContact OE2-CZ 3.51Å; E17-R170 IonicContact OE2-NH1 2.74Å; E17-R170 PolarHBondContact OE2-NH1 3.14Å; E17-R170 IonicContact OE2-NH2 2.84Å; E17-R170 PolarHBondContact OE2-NH2 2.94Å; K164-R170 WeakPolarHBondContact CA-O 3.49Å; S165-R170 PolarHBondContact N-O 2.89Å; T168-R170 PolarHBondContact O-N 2.83Å; T168-R170 WeakPolarHBondContact OG1-CB 3.46Å; T168-R170 VanDerWaalsContact OG1-CG 3.31Å; T168-R170 WeakPolarHBondContact OG1-CG 3.44Å; T168-R170 PolarHBondContact OG1-N 2.77Å; R170-F229 HydrophobicContact CB-CE2 4.26Å; R170-F229 HydrophobicContact CB-CZ 4.38Å | ||
| 171 | G | 96 | Very high | 96.7 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | 81.8 | 171.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F163 K164 | F163-G171 WeakPolarHBondContact O-CA 3.33Å; K164-G171 WeakPolarHBondContact CD-O 3.29Å; K164-G171 VanDerWaalsContact CG-O 3.27Å; K164-G171 WeakPolarHBondContact CG-O 3.18Å | ||
| 172 | P | 97.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | cis | -62.5 | 152.9 | -6.4 | 28 | -34 | 0 | 0 | 0 | 113 | A161 F163 E174 | A161-P172 WeakPolarHBondContact O-CB 3.36Å; F163-P172 WeakPolarHBondContact O-CA 3.37Å; P172-E174 PolarHBondContact O-N 2.97Å | ||
| 173 | L | 98 | Very high | 96.1 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | trans | -86.7 | 96.1 | 177.2 | -58.2 | -172 | 0 | 0 | 0 | 109.8 | P12 I143 A144 P160 W177 F229 | P12-L173 HydrophobicContact CG-CD1 4.36Å; P12-L173 HydrophobicContact CG-CD2 4.21Å; I143-L173 HydrophobicContact CD1-CD1 3.56Å; I143-L173 HydrophobicContact CG1-CD1 3.85Å; A144-L173 HydrophobicContact CB-CB 3.68Å; A144-L173 WeakPolarHBondContact CB-O 3.24Å; P160-L173 HydrophobicContact CB-CB 4.31Å; P160-L173 HydrophobicContact CB-CD1 3.67Å; P160-L173 HydrophobicContact CB-CG 4.02Å; P160-L173 PolarHBondContact O-N 2.9Å; L173-W177 HydrophobicContact CB-CB 4.11Å; L173-W177 HydrophobicContact CB-CD2 4.34Å; L173-W177 HydrophobicContact CB-CG 3.93Å; L173-W177 HydrophobicContact CD1-CD2 4.14Å; L173-W177 HydrophobicContact CD1-CE3 4.29Å; L173-W177 HydrophobicContact CD1-CZ2 4.47Å; L173-W177 HydrophobicContact CD2-CB 4.27Å; L173-W177 HydrophobicContact CD2-CD2 4.29Å; L173-W177 HydrophobicContact CD2-CE3 4.14Å; L173-W177 HydrophobicContact CD2-CG 4.39Å; L173-W177 HydrophobicContact CG-CD2 4.5Å; L173-F229 HydrophobicContact CD1-CD1 4.26Å; L173-F229 HydrophobicContact CD1-CE1 4.04Å; L173-F229 HydrophobicContact CD1-CE2 4.5Å; L173-F229 HydrophobicContact CD1-CZ 4.17Å; L173-F229 HydrophobicContact CD2-CE1 4.29Å; L173-F229 HydrophobicContact CD2-CE2 4.36Å; L173-F229 HydrophobicContact CD2-CZ 3.82Å; L173-F229 HydrophobicContact CG-CE1 3.82Å; L173-F229 HydrophobicContact CG-CZ 3.88Å | ||
| 174 | E | 96 | Very high | 95.4 | Very high | 107 Ų | 107 | 64.9 Ų | 64.9 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | trans | -69 | 164.2 | 175.6 | -64.4 | -61.6 | 160.7 | 0 | 0 | 112.1 | P172 T176 W177 | P172-E174 PolarHBondContact O-N 2.97Å; E174-T176 PolarHBondContact O-N 2.84Å; E174-W177 WeakPolarHBondContact O-CB 3.35Å; E174-W177 PolarHBondContact O-N 3.32Å | ||
| 175 | P | 95.7 | Very high | 94.5 | Very high | 118 Ų | 118 | 65 Ų | 65 | 77% | 0.766 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.5 | -179.3 | -29.2 | 36.5 | 0 | 0 | 0 | 115.4 | ||
| 176 | T | 95.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 72.2 Ų | 72.2 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | E174 K178 Q179 D180 | E174-T176 PolarHBondContact O-N 2.84Å; T176-K178 PolarHBondContact O-N 3.02Å; T176-Q179 VanDerWaalsContact CA-OE1 3.23Å; T176-Q179 WeakPolarHBondContact O-CA 3.48Å; T176-Q179 WeakPolarHBondContact O-CB 3.5Å; T176-Q179 PolarHBondContact O-N 2.78Å; T176-Q179 PolarHBondContact O-OE1 2.95Å; T176-D180 PolarHBondContact O-N 3.49Å; T176-D180 VanDerWaalsContact O-N 3.12Å; T176-D180 PolarHBondContact OG1-OD2 2.96Å |
| 177 | W | 97.1 | Very high | 93 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.045 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.6 | -32.6 | -168.4 | 75.9 | -86 | 0 | 0 | 0 | 114.2 | V10 P12 D142 I143 L173 E174 L181 | V10-W177 HydrophobicContact CB-CH2 4.34Å; V10-W177 HydrophobicContact CG1-CH2 4.05Å; V10-W177 HydrophobicContact CG1-CZ3 4.34Å; V10-W177 WeakPolarHBondContact O-CH2 3.38Å; P12-W177 HydrophobicContact CB-CZ3 4.33Å; P12-W177 HydrophobicContact CG-CZ3 4.29Å; D142-W177 PolarHBondContact OD1-NE1 3.26Å; I143-W177 HydrophobicContact CG1-CH2 4.34Å; I143-W177 HydrophobicContact CG1-CZ2 3.97Å; L173-W177 HydrophobicContact CB-CB 4.11Å; L173-W177 HydrophobicContact CB-CD2 4.34Å; L173-W177 HydrophobicContact CB-CG 3.93Å; L173-W177 HydrophobicContact CD1-CD2 4.14Å; L173-W177 HydrophobicContact CD1-CE3 4.29Å; L173-W177 HydrophobicContact CD1-CZ2 4.47Å; L173-W177 HydrophobicContact CD2-CB 4.27Å; L173-W177 HydrophobicContact CD2-CD2 4.29Å; L173-W177 HydrophobicContact CD2-CE3 4.14Å; L173-W177 HydrophobicContact CD2-CG 4.39Å; L173-W177 HydrophobicContact CG-CD2 4.5Å; E174-W177 WeakPolarHBondContact O-CB 3.35Å; E174-W177 PolarHBondContact O-N 3.32Å; W177-L181 HydrophobicContact CE3-CB 4.48Å; W177-L181 HydrophobicContact CE3-CD2 4.14Å; W177-L181 HydrophobicContact CZ3-CD2 3.65Å; W177-L181 WeakPolarHBondContact O-CB 3.35Å; W177-L181 PolarHBondContact O-N 3.01Å |
| 178 | K | 96.3 | Very high | 92.8 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 177 | -70 | 178.7 | 178.6 | 163.4 | 0 | 112.7 | M119 D142 T176 A182 | M119-K178 HydrophobicContact CE-CB 4.46Å; M119-K178 WeakPolarHBondContact CE-O 3.46Å; D142-K178 VanDerWaalsContact CB-NZ 3.31Å; D142-K178 IonicContact OD1-NZ 3.58Å; D142-K178 WeakPolarHBondContact OD2-CE 3.44Å; D142-K178 IonicContact OD2-NZ 2.83Å; D142-K178 PolarHBondContact OD2-NZ 2.84Å; T176-K178 PolarHBondContact O-N 3.02Å; K178-A182 WeakPolarHBondContact O-CB 3.46Å; K178-A182 PolarHBondContact O-N 3.14Å |
| 179 | Q | 95 | Very high | 92.7 | Very high | 125 Ų | 125 | 64 Ų | 64 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.7 | -42.2 | 175.9 | -64.8 | 126.5 | 5.9 | 0 | 0 | 110 | T176 A182 S183 | T176-Q179 VanDerWaalsContact CA-OE1 3.23Å; T176-Q179 WeakPolarHBondContact O-CA 3.48Å; T176-Q179 WeakPolarHBondContact O-CB 3.5Å; T176-Q179 PolarHBondContact O-N 2.78Å; T176-Q179 PolarHBondContact O-OE1 2.95Å; Q179-A182 PolarHBondContact O-N 2.98Å; Q179-S183 PolarHBondContact O-N 2.52Å; Q179-S183 PolarHBondContact O-OG 2.85Å |
| 180 | D | 93.6 | Very high | 92.9 | Very high | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.3 | -57.2 | -34.9 | 0 | 0 | 0 | 111.4 | T176 S183 T184 | T176-D180 PolarHBondContact O-N 3.49Å; T176-D180 VanDerWaalsContact O-N 3.12Å; T176-D180 PolarHBondContact OG1-OD2 2.96Å; D180-S183 PolarHBondContact O-N 2.86Å; D180-S183 PolarHBondContact O-OG 3.19Å; D180-T184 WeakPolarHBondContact O-CB 3.36Å; D180-T184 PolarHBondContact O-N 2.85Å; D180-T184 PolarHBondContact O-OG1 2.99Å |
| 181 | L | 94.4 | Very high | 93 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 174.6 | -176.3 | 62.4 | 0 | 0 | 0 | 112.2 | V10 P12 M119 W177 C187 K189 | V10-L181 HydrophobicContact CG1-CD2 4.36Å; P12-L181 HydrophobicContact CB-CD1 4.36Å; P12-L181 HydrophobicContact CB-CD2 4.08Å; M119-L181 HydrophobicContact CE-CB 4.2Å; M119-L181 HydrophobicContact CE-CD2 4.07Å; M119-L181 HydrophobicContact CE-CG 4.17Å; M119-L181 HydrophobicContact SD-CD2 4.17Å; M119-L181 HydrophobicContact SD-CG 4.24Å; W177-L181 HydrophobicContact CE3-CB 4.48Å; W177-L181 HydrophobicContact CE3-CD2 4.14Å; W177-L181 HydrophobicContact CZ3-CD2 3.65Å; W177-L181 WeakPolarHBondContact O-CB 3.35Å; W177-L181 PolarHBondContact O-N 3.01Å; L181-C187 HydrophobicContact CD1-CB 3.79Å; L181-C187 WeakPolarHBondContact CD1-SG 3.41Å; L181-K189 HydrophobicContact CD1-CB 4.09Å; L181-K189 HydrophobicContact CD2-CB 3.91Å; L181-K189 HydrophobicContact CG-CB 3.92Å; L181-K189 PolarHBondContact O-NZ 2.91Å |
| 182 | A | 93.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M119 K178 Q179 K189 | M119-A182 HydrophobicContact CE-CB 4.19Å; M119-A182 HydrophobicContact CG-CB 4.44Å; K178-A182 WeakPolarHBondContact O-CB 3.46Å; K178-A182 PolarHBondContact O-N 3.14Å; Q179-A182 PolarHBondContact O-N 2.98Å; A182-K189 PolarHBondContact O-NZ 2.92Å |
| 183 | S | 90.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -80.3 | -22 | -177.8 | 64.6 | 0 | 0 | 0 | 0 | 114 | Q179 D180 | Q179-S183 PolarHBondContact O-N 2.52Å; Q179-S183 PolarHBondContact O-OG 2.85Å; D180-S183 PolarHBondContact O-N 2.86Å; D180-S183 PolarHBondContact O-OG 3.19Å |
| 184 | T | 85.8 | Confident | 93.2 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | trans | -82.6 | 129.3 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | D180 C187 K189 | D180-T184 WeakPolarHBondContact O-CB 3.36Å; D180-T184 PolarHBondContact O-N 2.85Å; D180-T184 PolarHBondContact O-OG1 2.99Å; T184-C187 HydrophobicContact CG2-CB 3.82Å; T184-K189 PolarHBondContact O-NZ 3.35Å | ||
| 185 | T | 79.3 | Confident | 93.3 | Very high | 130 Ų | 130 | 51.7 Ų | 51.7 | 80% | 0.798 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -81.2 | -35.4 | 178.1 | -31.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 186 | D | 79.6 | Confident | 93.5 | Very high | 155 Ų | 155 | 46 Ų | 46 | 83% | 0.829 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -89 | -11.4 | -169.7 | -57.1 | -34.5 | 0 | 0 | 0 | 114 | ||
| 187 | C | 83.9 | Confident | 93.6 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -91.9 | 121.5 | 178.5 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | L181 T184 | L181-C187 HydrophobicContact CD1-CB 3.79Å; L181-C187 WeakPolarHBondContact CD1-SG 3.41Å; T184-C187 HydrophobicContact CG2-CB 3.82Å |
| 188 | P | 92.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | trans | -68.6 | 145.3 | -178.2 | 30.8 | -36 | 0 | 0 | 0 | 110.6 | P12 C13 | P12-P188 CarbonylContact C-O 2.92Å; P12-P188 VanDerWaalsContact C-O 3.28Å; C13-P188 PolarHBondContact N-O 3.43Å; C13-P188 CarbonylContact O-C 3.59Å | ||
| 189 | K | 95.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | trans | -142 | 144.6 | -175.4 | 61.3 | -165.7 | 128.9 | -154.9 | 0 | 111.3 | C13 M119 L181 A182 T184 | C13-K189 CarbonylContact O-C 3.57Å; C13-K189 WeakPolarHBondContact O-CA 3.21Å; C13-K189 PolarHBondContact O-N 3.16Å; M119-K189 HydrophobicContact CG-CD 4.06Å; M119-K189 HydrophobicContact SD-CB 3.83Å; M119-K189 HydrophobicContact SD-CD 3.56Å; M119-K189 VanDerWaalsContact SD-CD 3.56Å; M119-K189 HydrophobicContact SD-CG 4.04Å; L181-K189 HydrophobicContact CD1-CB 4.09Å; L181-K189 HydrophobicContact CD2-CB 3.91Å; L181-K189 HydrophobicContact CG-CB 3.92Å; L181-K189 PolarHBondContact O-NZ 2.91Å; A182-K189 PolarHBondContact O-NZ 2.92Å; T184-K189 PolarHBondContact O-NZ 3.35Å | ||
| 190 | M | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161.5 | 175.1 | 64 | 123.5 | -55.9 | 0 | 0 | 111.1 | V10 L11 C13 I15 Y18 K116 D118 A192 | V10-M190 WeakPolarHBondContact CA-O 3.38Å; L11-M190 HydrophobicContact CB-CG 4.2Å; L11-M190 HydrophobicContact CB-SD 4.47Å; L11-M190 HydrophobicContact CD1-CE 4.28Å; L11-M190 HydrophobicContact CD1-SD 4.03Å; L11-M190 PolarHBondContact N-O 2.55Å; L11-M190 PolarHBondContact O-N 3.37Å; C13-M190 WeakPolarHBondContact O-CG 3.42Å; C13-M190 PolarHBondContact O-N 2.63Å; I15-M190 HydrophobicContact CG2-CB 3.78Å; Y18-M190 VanDerWaalsContact CB-SD 3.54Å; Y18-M190 HydrophobicContact CD1-SD 4.22Å; Y18-M190 HydrophobicContact CD2-SD 3.62Å; Y18-M190 HydrophobicContact CE2-SD 4.37Å; Y18-M190 HydrophobicContact CG-SD 3.51Å; Y18-M190 VanDerWaalsContact CG-SD 3.51Å; K116-M190 CarbonylContact O-C 3.34Å; K116-M190 VanDerWaalsContact O-CA 3.23Å; K116-M190 WeakPolarHBondContact O-CA 3.17Å; K116-M190 WeakPolarHBondContact O-CB 3.28Å; D118-M190 CarbonylContact O-C 3.55Å; D118-M190 WeakPolarHBondContact O-CA 3.41Å; M190-A192 HydrophobicContact CE-CB 3.9Å |
| 191 | C | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.9 | 169 | -173 | 0 | 0 | 0 | 0 | 111.9 | V9 V10 K116 D118 G120 Y193 | V9-C191 CarbonylContact O-C 3.2Å; V9-C191 WeakPolarHBondContact O-CA 3.36Å; V10-C191 HydrophobicContact CG2-CB 4.29Å; K116-C191 PolarHBondContact N-O 3.36Å; K116-C191 PolarHBondContact O-N 2.83Å; D118-C191 PolarHBondContact O-N 3.04Å; D118-C191 VanDerWaalsContact OD1-CB 3.31Å; D118-C191 WeakPolarHBondContact OD1-CB 3.16Å; G120-C191 WeakPolarHBondContact CA-SG 3.48Å; C191-Y193 HydrophobicContact CB-CD2 4.27Å; C191-Y193 HydrophobicContact CB-CE2 3.73Å |
| 192 | A | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | R8 V9 T113 M190 K194 | R8-A192 WeakPolarHBondContact CA-O 3.25Å; V9-A192 HydrophobicContact CB-CB 4.33Å; V9-A192 PolarHBondContact N-O 3.35Å; V9-A192 PolarHBondContact O-N 3.41Å; T113-A192 HydrophobicContact CG2-CB 4.45Å; M190-A192 HydrophobicContact CE-CB 3.9Å; A192-K194 HydrophobicContact CB-CG 4.34Å; A192-K194 PolarHBondContact O-N 3.33Å |
| 193 | Y | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 96.5 | 175.3 | -67.1 | -99.1 | 0 | 0 | 0 | 108.5 | R8 T113 W114 K116 D118 G120 T121 Q122 V125 H126 C191 | R8-Y193 HydrophobicContact CG-CD1 3.95Å; R8-Y193 HydrophobicContact CG-CE1 4.17Å; T113-Y193 VanDerWaalsContact CA-O 3.27Å; T113-Y193 WeakPolarHBondContact CA-O 3.36Å; W114-Y193 PolarHBondContact N-O 3.49Å; W114-Y193 VanDerWaalsContact N-O 3.1Å; W114-Y193 PolarHBondContact O-N 3.05Å; K116-Y193 HydrophobicContact CB-CD2 4.35Å; K116-Y193 HydrophobicContact CB-CE2 3.94Å; K116-Y193 HydrophobicContact CG-CD2 4.05Å; K116-Y193 HydrophobicContact CG-CE2 3.96Å; D118-Y193 WeakPolarHBondContact OD1-CE2 3.3Å; D118-Y193 PolarHBondContact OD1-OH 3.24Å; D118-Y193 VanDerWaalsContact OD1-OH 3.12Å; D118-Y193 PolarHBondContact OD2-OH 2.83Å; D118-Y193 VanDerWaalsContact OD2-OH 3.13Å; G120-Y193 WeakPolarHBondContact CA-OH 3.48Å; T121-Y193 PolarHBondContact N-OH 3Å; T121-Y193 VanDerWaalsContact N-OH 3.12Å; Q122-Y193 HydrophobicContact CB-CE1 4.39Å; Q122-Y193 WeakPolarHBondContact CB-OH 3.16Å; Q122-Y193 PolarHBondContact N-OH 2.84Å; Q122-Y193 VanDerWaalsContact O-CE1 3.3Å; Q122-Y193 WeakPolarHBondContact O-CE1 3.46Å; V125-Y193 HydrophobicContact CG1-CD1 4.05Å; V125-Y193 HydrophobicContact CG1-CE1 3.96Å; V125-Y193 HydrophobicContact CG1-CE2 4.46Å; V125-Y193 HydrophobicContact CG1-CG 4.32Å; V125-Y193 HydrophobicContact CG2-CD1 3.78Å; V125-Y193 HydrophobicContact CG2-CD2 4.39Å; V125-Y193 HydrophobicContact CG2-CG 3.69Å; H126-Y193 PolarHBondContact CE1-O 3.5Å; C191-Y193 HydrophobicContact CB-CD2 4.27Å; C191-Y193 HydrophobicContact CB-CE2 3.73Å |
| 194 | K | 98.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 96.4 | -177.2 | -53.8 | -166.3 | -177.8 | -54.8 | 0 | 110.3 | Q6 N7 Y18 I111 E112 T113 A192 V196 F221 H225 | Q6-K194 CarbonylContact C-O 3.51Å; Q6-K194 WeakPolarHBondContact CA-O 3.49Å; N7-K194 HydrophobicContact CB-CB 4.35Å; N7-K194 PolarHBondContact N-O 3.12Å; N7-K194 PolarHBondContact O-N 3.13Å; Y18-K194 PolarHBondContact OH-NZ 2.87Å; I111-K194 HydrophobicContact CG2-CB 4.44Å; E112-K194 CarbonylContact O-C 3.46Å; T113-K194 HydrophobicContact CG2-CG 3.86Å; A192-K194 HydrophobicContact CB-CG 4.34Å; A192-K194 PolarHBondContact O-N 3.33Å; K194-V196 PolarHBondContact O-N 2.81Å; K194-F221 HydrophobicContact CB-CE2 3.97Å; K194-F221 HydrophobicContact CB-CZ 4.27Å; K194-F221 HydrophobicContact CD-CD1 3.91Å; K194-F221 HydrophobicContact CD-CD2 4.05Å; K194-F221 HydrophobicContact CD-CE1 3.82Å; K194-F221 HydrophobicContact CD-CE2 3.94Å; K194-F221 HydrophobicContact CD-CG 4.05Å; K194-F221 HydrophobicContact CD-CZ 3.84Å; K194-H225 WeakPolarHBondContact CE-CE1 3.35Å |
| 195 | L | 98.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 109.7 | 173.9 | -178.6 | 67.5 | 0 | 0 | 0 | 109.7 | L4 Q6 I111 E112 H126 V128 V136 | L4-L195 HydrophobicContact CD2-CD1 4.36Å; Q6-L195 HydrophobicContact CB-CD1 4.08Å; I111-L195 WeakPolarHBondContact CA-O 3.15Å; E112-L195 PolarHBondContact N-O 3.09Å; E112-L195 PolarHBondContact O-N 3.37Å; H126-L195 HydrophobicContact CB-CD2 3.88Å; V128-L195 HydrophobicContact CG2-CD2 3.57Å; V136-L195 HydrophobicContact CG1-CD1 4Å |
| 196 | V | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.4 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | L4 K5 I109 K110 I111 K194 V198 H214 E217 F221 | L4-V196 VanDerWaalsContact CA-O 3.3Å; L4-V196 WeakPolarHBondContact CA-O 3.49Å; K5-V196 PolarHBondContact N-O 3.06Å; K5-V196 PolarHBondContact O-N 2.65Å; I109-V196 HydrophobicContact CG2-CG1 4.14Å; K110-V196 CarbonylContact O-C 3.15Å; K110-V196 WeakPolarHBondContact O-CA 3.38Å; I111-V196 HydrophobicContact CG1-CG2 4.4Å; K194-V196 PolarHBondContact O-N 2.81Å; V196-V198 HydrophobicContact CG1-CG2 3.94Å; V196-H214 PolarHBondContact O-CE1 2.95Å; V196-E217 HydrophobicContact CG1-CG 4.2Å; V196-F221 HydrophobicContact CG2-CE2 3.71Å; V196-F221 HydrophobicContact CG2-CZ 4Å |
| 197 | T | 98.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.4 | 170.3 | -52.3 | 0 | 0 | 0 | 0 | 108.4 | L2 L4 F108 I109 K110 | L2-T197 HydrophobicContact CB-CG2 4.14Å; L2-T197 HydrophobicContact CD1-CG2 4.2Å; L2-T197 HydrophobicContact CD2-CG2 4.4Å; L2-T197 HydrophobicContact CG-CG2 4.49Å; L4-T197 HydrophobicContact CD1-CG2 3.85Å; L4-T197 HydrophobicContact CG-CG2 4.02Å; F108-T197 HydrophobicContact CE2-CG2 3.78Å; F108-T197 HydrophobicContact CZ-CG2 4.22Å; I109-T197 WeakPolarHBondContact CA-O 3.47Å; K110-T197 PolarHBondContact N-O 3.45Å; K110-T197 PolarHBondContact O-N 3.47Å |
| 198 | V | 97 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.9 | 175.2 | -173 | 0 | 0 | 0 | 0 | 109 | C3 I109 V196 E210 I213 H214 | C3-V198 PolarHBondContact N-O 3.18Å; C3-V198 VanDerWaalsContact N-O 3.17Å; C3-V198 PolarHBondContact O-N 2.81Å; I109-V198 HydrophobicContact CG2-CG2 4.46Å; V196-V198 HydrophobicContact CG1-CG2 3.94Å; V198-E210 HydrophobicContact CG1-CB 4.35Å; V198-E210 HydrophobicContact CG1-CG 4.02Å; V198-I213 HydrophobicContact CG1-CB 4.14Å; V198-I213 HydrophobicContact CG1-CD1 3.65Å; V198-I213 HydrophobicContact CG1-CG2 4.02Å; V198-I213 HydrophobicContact CG2-CB 4.26Å; V198-I213 HydrophobicContact CG2-CG2 3.6Å; V198-H214 WeakPolarHBondContact CG2-NE2 3.44Å |
| 199 | K | 95.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 27% | 0.274 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.9 | 165.9 | -177.9 | -178.8 | -179.8 | -168.7 | 0 | 107.9 | L2 D105 F107 F108 | L2-K199 HydrophobicContact CD2-CB 3.75Å; L2-K199 HydrophobicContact CD2-CD 4.14Å; L2-K199 HydrophobicContact CD2-CG 4.02Å; D105-K199 WeakPolarHBondContact O-CE 3.31Å; D105-K199 PolarHBondContact O-NZ 3.33Å; F107-K199 VanDerWaalsContact CA-O 3.27Å; F107-K199 WeakPolarHBondContact CA-O 3.24Å; F108-K199 HydrophobicContact CD1-CB 3.63Å; F108-K199 HydrophobicContact CD1-CD 3.62Å; F108-K199 HydrophobicContact CD1-CG 4.24Å; F108-K199 HydrophobicContact CD2-CB 4.32Å; F108-K199 HydrophobicContact CE1-CB 3.46Å; F108-K199 VanDerWaalsContact CE1-CB 3.46Å; F108-K199 HydrophobicContact CE1-CD 3.26Å; F108-K199 HydrophobicContact CE1-CG 4Å; F108-K199 HydrophobicContact CE2-CB 4.15Å; F108-K199 HydrophobicContact CG-CB 4.07Å; F108-K199 HydrophobicContact CZ-CB 3.72Å; F108-K199 HydrophobicContact CZ-CD 4.16Å; F108-K199 PolarHBondContact N-O 2.99Å; F108-K199 PolarHBondContact O-N 3.3Å |
| 200 | F | 92.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 101.7 | 168.4 | 179 | -94.2 | 0 | 0 | 0 | 109.8 | I75 M103 S106 F107 W202 L205 Q206 V209 E210 | I75-F200 HydrophobicContact CD1-CZ 4.36Å; M103-F200 HydrophobicContact CE-CE2 4.49Å; M103-F200 HydrophobicContact SD-CD2 3.85Å; M103-F200 HydrophobicContact SD-CE2 3.46Å; M103-F200 WeakPolarHBondContact SD-CE2 3.21Å; S106-F200 CarbonylContact O-C 3.59Å; S106-F200 VanDerWaalsContact O-CA 3.32Å; S106-F200 WeakPolarHBondContact O-CA 3.42Å; F107-F200 AromaticContact CD2-CD2 3.94Å; F107-F200 HydrophobicContact CD2-CD2 3.94Å; F200-W202 HydrophobicContact CD1-CB 4.04Å; F200-W202 HydrophobicContact CE1-CB 3.31Å; F200-W202 HydrophobicContact CE1-CG 4.22Å; F200-W202 HydrophobicContact CE2-CE3 4.16Å; F200-W202 HydrophobicContact CZ-CB 3.65Å; F200-W202 HydrophobicContact CZ-CD2 4.16Å; F200-W202 AromaticContact CZ-CE3 3.74Å; F200-W202 HydrophobicContact CZ-CE3 3.74Å; F200-W202 HydrophobicContact CZ-CG 4.18Å; F200-W202 PolarHBondContact O-N 2.88Å; F200-L205 HydrophobicContact CE1-CB 3.97Å; F200-Q206 WeakPolarHBondContact O-CB 3.08Å; F200-Q206 WeakPolarHBondContact O-CG 3.34Å; F200-V209 HydrophobicContact CB-CG1 4.19Å; F200-V209 HydrophobicContact CD1-CB 3.49Å; F200-V209 VanDerWaalsContact CD1-CB 3.49Å; F200-V209 HydrophobicContact CD1-CG1 3.67Å; F200-V209 HydrophobicContact CD1-CG2 3.96Å; F200-V209 HydrophobicContact CD2-CB 4.49Å; F200-V209 HydrophobicContact CD2-CG1 3.75Å; F200-V209 HydrophobicContact CE1-CB 3.63Å; F200-V209 HydrophobicContact CE1-CG1 3.88Å; F200-V209 HydrophobicContact CE1-CG2 3.52Å; F200-V209 HydrophobicContact CE2-CG1 3.94Å; F200-V209 HydrophobicContact CG-CB 3.96Å; F200-V209 HydrophobicContact CG-CG1 3.61Å; F200-V209 HydrophobicContact CZ-CB 4.2Å; F200-V209 HydrophobicContact CZ-CG1 4.02Å; F200-V209 HydrophobicContact CZ-CG2 3.92Å; F200-E210 HydrophobicContact CB-CG 4Å; F200-E210 PolarHBondContact N-OE1 3.41Å; F200-E210 VanDerWaalsContact N-OE1 3.13Å |
| 201 | K | 91.6 | Very high | 93.6 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | trans | -97.7 | 85.4 | -175.7 | -170.1 | -177.1 | 178.6 | -176.7 | 0 | 110.5 | S106 | S106-K201 PolarHBondContact O-N 2.8Š| ||
| 202 | W | 86.4 | Confident | 93.3 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 31% | 0.311 | 25% | 0.249 | S | C | . | . | trans | -133.9 | 128.7 | 173.3 | -157.4 | -57.1 | 0 | 0 | 0 | 110.4 | I75 Y102 F200 G204 L205 Q206 | I75-W202 HydrophobicContact CB-CH2 4.22Å; I75-W202 HydrophobicContact CB-CZ2 4.14Å; I75-W202 VanDerWaalsContact O-CH2 3.3Å; I75-W202 WeakPolarHBondContact O-CH2 3.4Å; Y102-W202 HydrophobicContact CE1-CH2 4.03Å; Y102-W202 HydrophobicContact CE1-CZ3 4.11Å; F200-W202 HydrophobicContact CD1-CB 4.04Å; F200-W202 HydrophobicContact CE1-CB 3.31Å; F200-W202 HydrophobicContact CE1-CG 4.22Å; F200-W202 HydrophobicContact CE2-CE3 4.16Å; F200-W202 HydrophobicContact CZ-CB 3.65Å; F200-W202 HydrophobicContact CZ-CD2 4.16Å; F200-W202 AromaticContact CZ-CE3 3.74Å; F200-W202 HydrophobicContact CZ-CE3 3.74Å; F200-W202 HydrophobicContact CZ-CG 4.18Å; F200-W202 PolarHBondContact O-N 2.88Å; W202-G204 PolarHBondContact O-N 3.49Å; W202-L205 HydrophobicContact CB-CB 4.37Å; W202-L205 PolarHBondContact O-N 2.92Å; W202-L205 VanDerWaalsContact O-N 3.16Å; W202-Q206 PolarHBondContact O-N 3.3Å; W202-Q206 VanDerWaalsContact O-N 3.14Å | ||
| 203 | W | 86.5 | Confident | 93.1 | Very high | 248 Ų | 248 | 52.1 Ų | 52.1 | 94% | 0.939 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 126.1 | -177.3 | -174.6 | 83.7 | 0 | 0 | 0 | 111.2 | L205 | W203-L205 VanDerWaalsContact C-N 3.27Å; W203-L205 PolarHBondContact O-N 3.38Å |
| 204 | G | 87.3 | Confident | 93 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 72% | 0.722 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -9.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | W202 | W202-G204 PolarHBondContact O-N 3.49Š|
| 205 | L | 88.3 | Confident | 92.8 | Very high | 43 Ų | 43 | 57.4 Ų | 57.4 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -10.9 | -175.4 | -64.8 | 178 | 0 | 0 | 0 | 114.6 | I75 F200 W202 W203 T207 K208 V209 | I75-L205 HydrophobicContact CD1-CD1 3.59Å; I75-L205 HydrophobicContact CG2-CD1 4.06Å; F200-L205 HydrophobicContact CE1-CB 3.97Å; W202-L205 HydrophobicContact CB-CB 4.37Å; W202-L205 PolarHBondContact O-N 2.92Å; W202-L205 VanDerWaalsContact O-N 3.16Å; W203-L205 VanDerWaalsContact C-N 3.27Å; W203-L205 PolarHBondContact O-N 3.38Å; L205-T207 PolarHBondContact O-N 3Å; L205-K208 PolarHBondContact O-N 2.93Å; L205-V209 HydrophobicContact CB-CG2 4.24Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 3.31Å |
| 206 | Q | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -44.3 | -67.5 | -175.8 | 175.3 | 157.8 | -1.7 | 0 | 0 | 113.7 | F200 W202 K208 V209 E210 | F200-Q206 WeakPolarHBondContact O-CB 3.08Å; F200-Q206 WeakPolarHBondContact O-CG 3.34Å; W202-Q206 PolarHBondContact O-N 3.3Å; W202-Q206 VanDerWaalsContact O-N 3.14Å; Q206-K208 VanDerWaalsContact C-N 3.31Å; Q206-K208 PolarHBondContact O-N 3.33Å; Q206-V209 PolarHBondContact O-N 2.88Å; Q206-E210 HydrophobicContact CG-CG 4.37Å; Q206-E210 PolarHBondContact NE2-OE1 2.79Å; Q206-E210 WeakPolarHBondContact O-CB 3.42Å; Q206-E210 WeakPolarHBondContact O-CG 3.46Å; Q206-E210 PolarHBondContact O-N 2.59Å |
| 207 | T | 91.4 | Very high | 92.6 | Very high | 97 Ų | 97 | 59.7 Ų | 59.7 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | -173.9 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | L205 N211 | L205-T207 PolarHBondContact O-N 3Å; T207-N211 WeakPolarHBondContact O-CB 3.34Å; T207-N211 PolarHBondContact O-N 2.95Å; T207-N211 PolarHBondContact O-ND2 2.89Å |
| 208 | K | 90.4 | Very high | 92.6 | Very high | 126 Ų | 126 | 63 Ų | 63 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 179.7 | -175.7 | 177.5 | 178.7 | -179.6 | 0 | 110.9 | L205 Q206 F212 | L205-K208 PolarHBondContact O-N 2.93Å; Q206-K208 VanDerWaalsContact C-N 3.31Å; Q206-K208 PolarHBondContact O-N 3.33Å; K208-F212 WeakPolarHBondContact O-CB 3.4Å; K208-F212 PolarHBondContact O-N 2.81Å |
| 209 | V | 90.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.5 | -40.4 | -178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | F71 F200 L205 Q206 N211 F212 I213 | F71-V209 HydrophobicContact CE2-CG2 4.13Å; F200-V209 HydrophobicContact CB-CG1 4.19Å; F200-V209 HydrophobicContact CD1-CB 3.49Å; F200-V209 VanDerWaalsContact CD1-CB 3.49Å; F200-V209 HydrophobicContact CD1-CG1 3.67Å; F200-V209 HydrophobicContact CD1-CG2 3.96Å; F200-V209 HydrophobicContact CD2-CB 4.49Å; F200-V209 HydrophobicContact CD2-CG1 3.75Å; F200-V209 HydrophobicContact CE1-CB 3.63Å; F200-V209 HydrophobicContact CE1-CG1 3.88Å; F200-V209 HydrophobicContact CE1-CG2 3.52Å; F200-V209 HydrophobicContact CE2-CG1 3.94Å; F200-V209 HydrophobicContact CG-CB 3.96Å; F200-V209 HydrophobicContact CG-CG1 3.61Å; F200-V209 HydrophobicContact CZ-CB 4.2Å; F200-V209 HydrophobicContact CZ-CG1 4.02Å; F200-V209 HydrophobicContact CZ-CG2 3.92Å; L205-V209 HydrophobicContact CB-CG2 4.24Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 3.31Å; Q206-V209 PolarHBondContact O-N 2.88Å; V209-N211 VanDerWaalsContact C-N 3.33Å; V209-N211 PolarHBondContact O-N 2.85Å; V209-F212 PolarHBondContact O-N 3.08Å; V209-I213 HydrophobicContact CG1-CD1 3.76Å; V209-I213 HydrophobicContact CG1-CG1 4.31Å; V209-I213 VanDerWaalsContact O-CG1 3.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 2.89Å |
| 210 | E | 93.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175.9 | -72.1 | 177.1 | 165.1 | 0 | 0 | 111.4 | C3 V198 F200 Q206 I213 H214 | C3-E210 HydrophobicContact CB-CB 4.08Å; C3-E210 HydrophobicContact CB-CG 4.4Å; V198-E210 HydrophobicContact CG1-CB 4.35Å; V198-E210 HydrophobicContact CG1-CG 4.02Å; F200-E210 HydrophobicContact CB-CG 4Å; F200-E210 PolarHBondContact N-OE1 3.41Å; F200-E210 VanDerWaalsContact N-OE1 3.13Å; Q206-E210 HydrophobicContact CG-CG 4.37Å; Q206-E210 PolarHBondContact NE2-OE1 2.79Å; Q206-E210 WeakPolarHBondContact O-CB 3.42Å; Q206-E210 WeakPolarHBondContact O-CG 3.46Å; Q206-E210 PolarHBondContact O-N 2.59Å; E210-I213 PolarHBondContact O-N 2.79Å; E210-H214 PolarHBondContact O-CD2 3.15Å; E210-H214 PolarHBondContact O-N 2.87Å; E210-H214 VanDerWaalsContact O-N 3.15Å |
| 211 | N | 93.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 176 | -76.3 | -27.2 | 0 | 0 | 0 | 112.4 | T207 V209 I213 H214 E215 | T207-N211 WeakPolarHBondContact O-CB 3.34Å; T207-N211 PolarHBondContact O-N 2.95Å; T207-N211 PolarHBondContact O-ND2 2.89Å; V209-N211 VanDerWaalsContact C-N 3.33Å; V209-N211 PolarHBondContact O-N 2.85Å; N211-I213 VanDerWaalsContact C-N 3.33Å; N211-I213 PolarHBondContact O-N 2.86Å; N211-H214 WeakPolarHBondContact O-CB 3.36Å; N211-H214 PolarHBondContact O-N 3.45Å; N211-E215 WeakPolarHBondContact O-CG 3.43Å; N211-E215 PolarHBondContact O-N 3.21Å |
| 212 | F | 92.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.7 | 171 | -99.4 | 0 | 0 | 0 | 111.8 | P69 F71 K208 V209 H214 E215 Q216 A268 | P69-F212 HydrophobicContact CG-CE1 3.76Å; P69-F212 HydrophobicContact CG-CE2 3.6Å; P69-F212 HydrophobicContact CG-CZ 3.15Å; F71-F212 HydrophobicContact CZ-CD1 4.34Å; F71-F212 HydrophobicContact CZ-CD2 4.46Å; F71-F212 HydrophobicContact CZ-CG 4.2Å; K208-F212 WeakPolarHBondContact O-CB 3.4Å; K208-F212 PolarHBondContact O-N 2.81Å; V209-F212 PolarHBondContact O-N 3.08Å; F212-H214 VanDerWaalsContact C-N 3.34Å; F212-H214 PolarHBondContact O-N 2.77Å; F212-E215 WeakPolarHBondContact O-CB 3.31Å; F212-E215 PolarHBondContact O-N 2.85Å; F212-E215 VanDerWaalsContact O-N 3.15Å; F212-Q216 HydrophobicContact CD1-CG 4.31Å; F212-Q216 HydrophobicContact CD2-CG 4.4Å; F212-Q216 HydrophobicContact CE1-CG 3.72Å; F212-Q216 HydrophobicContact CE2-CG 3.84Å; F212-Q216 VanDerWaalsContact CE2-NE2 3.27Å; F212-Q216 HydrophobicContact CZ-CG 3.42Å; F212-Q216 VanDerWaalsContact CZ-CG 3.42Å; F212-Q216 WeakPolarHBondContact O-CG 3.31Å; F212-Q216 PolarHBondContact O-N 2.77Å; F212-A268 HydrophobicContact CZ-CB 4.09Å |
| 213 | I | 94 | Very high | 93.8 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 177.1 | -70.2 | 164.9 | 0 | 0 | 0 | 110.5 | F107 I109 V198 V209 E210 N211 E215 Q216 E217 | F107-I213 HydrophobicContact CE2-CD1 3.85Å; I109-I213 HydrophobicContact CD1-CD1 4.41Å; I109-I213 HydrophobicContact CD1-CG2 3.51Å; I109-I213 HydrophobicContact CG1-CG2 3.9Å; V198-I213 HydrophobicContact CG1-CB 4.14Å; V198-I213 HydrophobicContact CG1-CD1 3.65Å; V198-I213 HydrophobicContact CG1-CG2 4.02Å; V198-I213 HydrophobicContact CG2-CB 4.26Å; V198-I213 HydrophobicContact CG2-CG2 3.6Å; V209-I213 HydrophobicContact CG1-CD1 3.76Å; V209-I213 HydrophobicContact CG1-CG1 4.31Å; V209-I213 VanDerWaalsContact O-CG1 3.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 2.89Å; E210-I213 PolarHBondContact O-N 2.79Å; N211-I213 VanDerWaalsContact C-N 3.33Å; N211-I213 PolarHBondContact O-N 2.86Å; I213-E215 VanDerWaalsContact C-N 3.26Å; I213-E215 PolarHBondContact O-N 2.82Å; I213-Q216 PolarHBondContact O-N 3.17Å; I213-Q216 VanDerWaalsContact O-N 3.17Å; I213-E217 HydrophobicContact CG2-CG 4.2Å; I213-E217 WeakPolarHBondContact O-CG 3.28Å; I213-E217 PolarHBondContact O-N 2.81Å |
| 214 | H | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 176.9 | -85.6 | -68.2 | 0 | 0 | 0 | 113.1 | C3 K5 V196 V198 E210 N211 F212 K218 | C3-H214 PolarHBondContact O-NE2 2.7Å; C3-H214 PolarHBondContact SG-CD2 3.31Å; C3-H214 PolarHBondContact SG-NE2 2.95Å; C3-H214 VanDerWaalsContact SG-NE2 3.4Å; K5-H214 HydrophobicContact CD-CB 3.95Å; V196-H214 PolarHBondContact O-CE1 2.95Å; V198-H214 WeakPolarHBondContact CG2-NE2 3.44Å; E210-H214 PolarHBondContact O-CD2 3.15Å; E210-H214 PolarHBondContact O-N 2.87Å; E210-H214 VanDerWaalsContact O-N 3.15Å; N211-H214 WeakPolarHBondContact O-CB 3.36Å; N211-H214 PolarHBondContact O-N 3.45Å; F212-H214 VanDerWaalsContact C-N 3.34Å; F212-H214 PolarHBondContact O-N 2.77Å; H214-K218 WeakPolarHBondContact O-CB 3.33Å; H214-K218 PolarHBondContact O-N 2.68Å |
| 215 | E | 95.5 | Very high | 94.9 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 174.7 | -71.5 | 169.3 | -176.8 | 0 | 0 | 111.8 | N211 F212 I213 K218 R219 | N211-E215 WeakPolarHBondContact O-CG 3.43Å; N211-E215 PolarHBondContact O-N 3.21Å; F212-E215 WeakPolarHBondContact O-CB 3.31Å; F212-E215 PolarHBondContact O-N 2.85Å; F212-E215 VanDerWaalsContact O-N 3.15Å; I213-E215 VanDerWaalsContact C-N 3.26Å; I213-E215 PolarHBondContact O-N 2.82Å; E215-K218 PolarHBondContact O-N 3.43Å; E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 PolarHBondContact O-N 2.8Å |
| 216 | Q | 94.7 | Very high | 95.4 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 174.9 | -61.7 | -47.3 | -62.7 | 0 | 0 | 112 | F212 I213 K218 R219 I220 | F212-Q216 HydrophobicContact CD1-CG 4.31Å; F212-Q216 HydrophobicContact CD2-CG 4.4Å; F212-Q216 HydrophobicContact CE1-CG 3.72Å; F212-Q216 HydrophobicContact CE2-CG 3.84Å; F212-Q216 VanDerWaalsContact CE2-NE2 3.27Å; F212-Q216 HydrophobicContact CZ-CG 3.42Å; F212-Q216 VanDerWaalsContact CZ-CG 3.42Å; F212-Q216 WeakPolarHBondContact O-CG 3.31Å; F212-Q216 PolarHBondContact O-N 2.77Å; I213-Q216 PolarHBondContact O-N 3.17Å; I213-Q216 VanDerWaalsContact O-N 3.17Å; Q216-K218 VanDerWaalsContact C-N 3.34Å; Q216-K218 PolarHBondContact O-N 2.92Å; Q216-R219 WeakPolarHBondContact O-CB 3.47Å; Q216-R219 PolarHBondContact O-N 3.17Å; Q216-I220 WeakPolarHBondContact O-CB 3.48Å; Q216-I220 VanDerWaalsContact O-CG1 3.25Å; Q216-I220 WeakPolarHBondContact O-CG1 3.28Å; Q216-I220 PolarHBondContact O-N 3.1Å |
| 217 | E | 97.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 175 | -72.3 | -67.2 | 163.9 | 0 | 0 | 111.2 | I111 V196 I213 R219 I220 F221 | I111-E217 WeakPolarHBondContact CD1-OE2 3.19Å; V196-E217 HydrophobicContact CG1-CG 4.2Å; I213-E217 HydrophobicContact CG2-CG 4.2Å; I213-E217 WeakPolarHBondContact O-CG 3.28Å; I213-E217 PolarHBondContact O-N 2.81Å; E217-R219 PolarHBondContact O-N 3.12Å; E217-I220 PolarHBondContact O-N 3.19Å; E217-F221 HydrophobicContact CB-CE2 4.3Å; E217-F221 HydrophobicContact CB-CZ 4.43Å; E217-F221 WeakPolarHBondContact O-CB 3.46Å; E217-F221 VanDerWaalsContact O-CD2 3.3Å; E217-F221 WeakPolarHBondContact O-CD2 3.42Å; E217-F221 WeakPolarHBondContact O-CG 3.47Å; E217-F221 PolarHBondContact O-N 3.21Å; E217-F221 WeakPolarHBondContact OE2-CZ 3.45Å |
| 218 | K | 98.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 32% | 0.322 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 173.4 | -174.7 | -172.1 | 177.1 | -172.7 | 0 | 111.1 | V139 I141 H214 E215 Q216 F221 T222 | V139-K218 HydrophobicContact CG1-CD 3.93Å; V139-K218 HydrophobicContact CG1-CG 4.36Å; I141-K218 HydrophobicContact CD1-CG 4.3Å; I141-K218 HydrophobicContact CG1-CG 4.48Å; H214-K218 WeakPolarHBondContact O-CB 3.33Å; H214-K218 PolarHBondContact O-N 2.68Å; E215-K218 PolarHBondContact O-N 3.43Å; Q216-K218 VanDerWaalsContact C-N 3.34Å; Q216-K218 PolarHBondContact O-N 2.92Å; K218-F221 PolarHBondContact O-N 3.17Å; K218-T222 PolarHBondContact O-N 2.96Å; K218-T222 PolarHBondContact O-OG1 2.83Å |
| 219 | R | 97 | Very high | 96.5 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 177.3 | -179.6 | -174.2 | -179 | -169.6 | 2.2 | 111.5 | D153 E215 Q216 E217 T222 N223 T266 S267 | D153-R219 IonicContact OD1-CZ 3.08Å; D153-R219 IonicContact OD1-NE 2.81Å; D153-R219 PolarHBondContact OD1-NE 3.15Å; D153-R219 IonicContact OD1-NH2 2.87Å; D153-R219 PolarHBondContact OD1-NH2 2.93Å; D153-R219 IonicContact OD2-CZ 3.56Å; D153-R219 IonicContact OD2-NE 3.29Å; D153-R219 PolarHBondContact OD2-NE 2.87Å; D153-R219 IonicContact OD2-NH2 3.29Å; D153-R219 PolarHBondContact OD2-NH2 2.95Å; E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 PolarHBondContact O-N 2.8Å; Q216-R219 WeakPolarHBondContact O-CB 3.47Å; Q216-R219 PolarHBondContact O-N 3.17Å; E217-R219 PolarHBondContact O-N 3.12Å; R219-T222 PolarHBondContact O-N 2.97Å; R219-N223 PolarHBondContact O-N 2.83Å; R219-N223 PolarHBondContact O-ND2 3.02Å; R219-T266 VanDerWaalsContact CZ-CG2 3.44Å; R219-T266 VanDerWaalsContact NH2-CG2 3.31Å; R219-S267 PolarHBondContact NH1-O 3.33Å |
| 220 | I | 96.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 28.8 Ų | 28.8 | 47% | 0.472 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 177.2 | -70.2 | 164.5 | 0 | 0 | 0 | 109.9 | Q216 E217 T222 N223 F224 | Q216-I220 WeakPolarHBondContact O-CB 3.48Å; Q216-I220 VanDerWaalsContact O-CG1 3.25Å; Q216-I220 WeakPolarHBondContact O-CG1 3.28Å; Q216-I220 PolarHBondContact O-N 3.1Å; E217-I220 PolarHBondContact O-N 3.19Å; I220-T222 PolarHBondContact O-N 2.97Å; I220-N223 PolarHBondContact O-N 3.32Å; I220-F224 WeakPolarHBondContact O-CB 3.27Å; I220-F224 PolarHBondContact O-N 3.41Å |
| 221 | F | 98.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 8% | 0.075 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 178.8 | -62.7 | -22 | 0 | 0 | 0 | 112.1 | N7 I111 I141 K194 V196 E217 K218 H225 | N7-F221 HydrophobicContact CB-CD2 3.86Å; N7-F221 HydrophobicContact CB-CE2 4.17Å; I111-F221 HydrophobicContact CD1-CE1 4.47Å; I111-F221 HydrophobicContact CD1-CZ 4.14Å; I111-F221 HydrophobicContact CG2-CZ 4.17Å; I141-F221 HydrophobicContact CD1-CB 3.47Å; I141-F221 VanDerWaalsContact CD1-CB 3.47Å; I141-F221 HydrophobicContact CD1-CD2 4.21Å; I141-F221 HydrophobicContact CD1-CG 4.37Å; K194-F221 HydrophobicContact CB-CE2 3.97Å; K194-F221 HydrophobicContact CB-CZ 4.27Å; K194-F221 HydrophobicContact CD-CD1 3.91Å; K194-F221 HydrophobicContact CD-CD2 4.05Å; K194-F221 HydrophobicContact CD-CE1 3.82Å; K194-F221 HydrophobicContact CD-CE2 3.94Å; K194-F221 HydrophobicContact CD-CG 4.05Å; K194-F221 HydrophobicContact CD-CZ 3.84Å; V196-F221 HydrophobicContact CG2-CE2 3.71Å; V196-F221 HydrophobicContact CG2-CZ 4Å; E217-F221 HydrophobicContact CB-CE2 4.3Å; E217-F221 HydrophobicContact CB-CZ 4.43Å; E217-F221 WeakPolarHBondContact O-CB 3.46Å; E217-F221 VanDerWaalsContact O-CD2 3.3Å; E217-F221 WeakPolarHBondContact O-CD2 3.42Å; E217-F221 WeakPolarHBondContact O-CG 3.47Å; E217-F221 PolarHBondContact O-N 3.21Å; E217-F221 WeakPolarHBondContact OE2-CZ 3.45Å; K218-F221 PolarHBondContact O-N 3.17Å; F221-H225 PolarHBondContact O-N 2.9Å; F221-H225 VanDerWaalsContact O-N 3.15Å; F221-H225 PolarHBondContact O-ND1 2.92Å |
| 222 | T | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.7 | -54 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | Q148 V149 K218 R219 I220 R226 | Q148-T222 HydrophobicContact CB-CG2 4.33Å; V149-T222 HydrophobicContact CG2-CG2 3.93Å; K218-T222 PolarHBondContact O-N 2.96Å; K218-T222 PolarHBondContact O-OG1 2.83Å; R219-T222 PolarHBondContact O-N 2.97Å; I220-T222 PolarHBondContact O-N 2.97Å; T222-R226 VanDerWaalsContact O-CG 3.24Å; T222-R226 WeakPolarHBondContact O-CG 3.46Å; T222-R226 PolarHBondContact O-N 3.08Å; T222-R226 VanDerWaalsContact O-N 3.16Å |
| 223 | N | 98.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 11% | 0.107 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -43.5 | -175.4 | -64.2 | -17.4 | 0 | 0 | 0 | 111.5 | D153 R219 I220 H225 R226 Q227 | D153-N223 VanDerWaalsContact CG-ND2 3.31Å; D153-N223 PolarHBondContact OD2-ND2 3.15Å; R219-N223 PolarHBondContact O-N 2.83Å; R219-N223 PolarHBondContact O-ND2 3.02Å; I220-N223 PolarHBondContact O-N 3.32Å; N223-H225 PolarHBondContact O-N 2.82Å; N223-R226 PolarHBondContact O-N 3.44Å; N223-Q227 WeakPolarHBondContact O-CG 3.42Å; N223-Q227 PolarHBondContact O-N 2.83Å |
| 224 | F | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 178.7 | 176.6 | -94.4 | 0 | 0 | 0 | 112.4 | Q22 V26 A29 I220 Q227 L228 | Q22-F224 HydrophobicContact CG-CE1 4.33Å; Q22-F224 HydrophobicContact CG-CZ 4.08Å; V26-F224 HydrophobicContact CG2-CE2 3.74Å; V26-F224 HydrophobicContact CG2-CZ 3.84Å; A29-F224 HydrophobicContact CB-CD2 4.49Å; I220-F224 WeakPolarHBondContact O-CB 3.27Å; I220-F224 PolarHBondContact O-N 3.41Å; F224-Q227 PolarHBondContact O-N 2.99Å; F224-L228 HydrophobicContact CE1-CD1 3.83Å; F224-L228 HydrophobicContact CZ-CD1 4.26Å; F224-L228 WeakPolarHBondContact O-CB 3.46Å; F224-L228 PolarHBondContact O-N 3.38Å |
| 225 | H | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.9 | -26 | -176.8 | -67.3 | 94.2 | 0 | 0 | 0 | 113.1 | V9 L11 Y18 I143 K194 F221 N223 F229 | V9-H225 HydrophobicContact CG1-CB 3.96Å; L11-H225 HydrophobicContact CD2-CB 4.12Å; Y18-H225 AromaticContact CE2-CD2 3.83Å; Y18-H225 AromaticContact CE2-NE2 3.85Å; Y18-H225 AromaticContact CZ-NE2 3.8Å; Y18-H225 PolarHBondContact OH-NE2 3.12Å; I143-H225 HydrophobicContact CG2-CB 3.62Å; K194-H225 WeakPolarHBondContact CE-CE1 3.35Å; F221-H225 PolarHBondContact O-N 2.9Å; F221-H225 VanDerWaalsContact O-N 3.15Å; F221-H225 PolarHBondContact O-ND1 2.92Å; N223-H225 PolarHBondContact O-N 2.82Å; H225-F229 PolarHBondContact O-N 3.26Å; H225-F229 VanDerWaalsContact O-N 3.14Å |
| 226 | R | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -48.9 | 168.7 | -75 | 172.8 | 59.1 | 87.2 | -4.4 | 111.2 | I143 E158 D159 P160 T222 N223 F229 C230 | I143-R226 HydrophobicContact CB-CG 3.95Å; I143-R226 HydrophobicContact CG2-CG 4.38Å; I143-R226 VanDerWaalsContact O-CG 3.28Å; I143-R226 WeakPolarHBondContact O-CG 3.47Å; I143-R226 PolarHBondContact O-NH1 2.81Å; E158-R226 PolarHBondContact O-NE 2.88Å; E158-R226 PolarHBondContact O-NH2 3.47Å; D159-R226 VanDerWaalsContact CA-NH2 3.27Å; D159-R226 IonicContact OD1-CZ 3.8Å; D159-R226 VanDerWaalsContact OD1-CZ 3.29Å; D159-R226 IonicContact OD1-NH1 2.81Å; D159-R226 PolarHBondContact OD1-NH1 3.05Å; D159-R226 IonicContact OD1-NH2 2.7Å; D159-R226 PolarHBondContact OD1-NH2 2.73Å; D159-R226 IonicContact OD2-NH2 2.75Å; P160-R226 HydrophobicContact CG-CB 4.06Å; P160-R226 HydrophobicContact CG-CG 3.98Å; T222-R226 VanDerWaalsContact O-CG 3.24Å; T222-R226 WeakPolarHBondContact O-CG 3.46Å; T222-R226 PolarHBondContact O-N 3.08Å; T222-R226 VanDerWaalsContact O-N 3.16Å; N223-R226 PolarHBondContact O-N 3.44Å; R226-F229 PolarHBondContact O-N 3.21Å; R226-C230 PolarHBondContact O-N 2.77Å; R226-C230 PolarHBondContact O-SG 2.96Å |
| 227 | Q | 98.5 | Very high | 98.2 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -48 | 174.8 | -74.3 | 170.6 | -3.1 | 0 | 0 | 111.7 | E158 N223 F224 F229 C230 W231 | E158-Q227 HydrophobicContact CB-CG 4.14Å; E158-Q227 VanDerWaalsContact CD-NE2 3.34Å; E158-Q227 HydrophobicContact CG-CG 3.94Å; E158-Q227 PolarHBondContact OE1-NE2 2.71Å; E158-Q227 WeakPolarHBondContact OE2-CG 3.3Å; E158-Q227 PolarHBondContact OE2-NE2 3.39Å; N223-Q227 WeakPolarHBondContact O-CG 3.42Å; N223-Q227 PolarHBondContact O-N 2.83Å; F224-Q227 PolarHBondContact O-N 2.99Å; Q227-F229 VanDerWaalsContact C-N 3.28Å; Q227-F229 PolarHBondContact O-N 3.44Å; Q227-C230 CarbonylContact O-C 3.55Å; Q227-C230 PolarHBondContact O-N 3.04Å; Q227-C230 VanDerWaalsContact O-N 3.13Å; Q227-W231 HydrophobicContact CB-CD2 4.17Å; Q227-W231 HydrophobicContact CB-CE3 4.03Å; Q227-W231 HydrophobicContact CB-CH2 3.69Å; Q227-W231 HydrophobicContact CB-CZ2 3.81Å; Q227-W231 HydrophobicContact CB-CZ3 3.8Å; Q227-W231 HydrophobicContact CG-CH2 3.94Å; Q227-W231 HydrophobicContact CG-CZ2 3.84Å; Q227-W231 WeakPolarHBondContact O-CB 3.48Å; Q227-W231 PolarHBondContact O-N 3.14Å |
| 228 | L | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.6 | -46.6 | 177.6 | -177.9 | 155.2 | 0 | 0 | 0 | 111.7 | Y18 Q22 S25 F224 W231 I232 W235 | Y18-L228 HydrophobicContact CD2-CD1 4.08Å; Y18-L228 HydrophobicContact CE2-CD1 3.72Å; Q22-L228 HydrophobicContact CB-CD1 4.46Å; S25-L228 WeakPolarHBondContact OG-CA 3.45Å; F224-L228 HydrophobicContact CE1-CD1 3.83Å; F224-L228 HydrophobicContact CZ-CD1 4.26Å; F224-L228 WeakPolarHBondContact O-CB 3.46Å; F224-L228 PolarHBondContact O-N 3.38Å; L228-W231 PolarHBondContact O-N 3.34Å; L228-I232 PolarHBondContact O-N 2.94Å; L228-W235 HydrophobicContact CD2-CZ2 3.83Å; L228-W235 HydrophobicContact CG-CZ2 4.45Å; L228-W235 PolarHBondContact O-NE1 3.3Å |
| 229 | F | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.022 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 177.6 | 179.7 | -101 | 0 | 0 | 0 | 112.3 | P12 I143 P160 F163 R170 L173 H225 R226 Q227 W231 I232 | P12-F229 HydrophobicContact CB-CE2 4.43Å; P12-F229 HydrophobicContact CG-CD2 3.57Å; P12-F229 HydrophobicContact CG-CE2 3.33Å; P12-F229 HydrophobicContact CG-CZ 4.26Å; I143-F229 HydrophobicContact CD1-CB 4.05Å; I143-F229 HydrophobicContact CD1-CG 4.27Å; P160-F229 HydrophobicContact CB-CD1 3.5Å; P160-F229 HydrophobicContact CB-CE1 3.9Å; P160-F229 HydrophobicContact CB-CG 4.41Å; P160-F229 HydrophobicContact CG-CB 4.39Å; P160-F229 HydrophobicContact CG-CD1 3.88Å; F163-F229 HydrophobicContact CD1-CD1 4.01Å; F163-F229 AromaticContact CD1-CE1 3.73Å; F163-F229 HydrophobicContact CD1-CE1 3.73Å; F163-F229 HydrophobicContact CD1-CZ 4.45Å; F163-F229 HydrophobicContact CE1-CE1 4.45Å; R170-F229 HydrophobicContact CB-CE2 4.26Å; R170-F229 HydrophobicContact CB-CZ 4.38Å; L173-F229 HydrophobicContact CD1-CD1 4.26Å; L173-F229 HydrophobicContact CD1-CE1 4.04Å; L173-F229 HydrophobicContact CD1-CE2 4.5Å; L173-F229 HydrophobicContact CD1-CZ 4.17Å; L173-F229 HydrophobicContact CD2-CE1 4.29Å; L173-F229 HydrophobicContact CD2-CE2 4.36Å; L173-F229 HydrophobicContact CD2-CZ 3.82Å; L173-F229 HydrophobicContact CG-CE1 3.82Å; L173-F229 HydrophobicContact CG-CZ 3.88Å; H225-F229 PolarHBondContact O-N 3.26Å; H225-F229 VanDerWaalsContact O-N 3.14Å; R226-F229 PolarHBondContact O-N 3.21Å; Q227-F229 VanDerWaalsContact C-N 3.28Å; Q227-F229 PolarHBondContact O-N 3.44Å; F229-W231 PolarHBondContact O-N 3.01Å; F229-I232 VanDerWaalsContact O-CB 3.29Å; F229-I232 WeakPolarHBondContact O-CB 3.46Å; F229-I232 VanDerWaalsContact O-CG2 3.24Å; F229-I232 WeakPolarHBondContact O-CG2 3.34Å; F229-I232 PolarHBondContact O-N 2.96Å; F229-I232 VanDerWaalsContact O-N 3.08Å |
| 230 | C | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.4 | -18.3 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 113 | D159 F163 R226 Q227 | D159-C230 VanDerWaalsContact C-SG 3.56Å; F163-C230 HydrophobicContact CB-CB 4.44Å; F163-C230 HydrophobicContact CD1-CB 4.46Å; F163-C230 HydrophobicContact CD2-CB 4.25Å; F163-C230 WeakPolarHBondContact CE2-O 3.43Å; F163-C230 HydrophobicContact CG-CB 4.11Å; F163-C230 VanDerWaalsContact CZ-O 3.25Å; F163-C230 WeakPolarHBondContact CZ-O 3.49Å; R226-C230 PolarHBondContact O-N 2.77Å; R226-C230 PolarHBondContact O-SG 2.96Å; Q227-C230 CarbonylContact O-C 3.55Å; Q227-C230 PolarHBondContact O-N 3.04Å; Q227-C230 VanDerWaalsContact O-N 3.13Å |
| 231 | W | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 34 Ų | 34 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7.1 | 175.3 | -62.2 | -17.7 | 0 | 0 | 0 | 113.7 | F24 E28 Q227 L228 F229 D233 K234 W235 | F24-W231 HydrophobicContact CE1-CB 4.12Å; F24-W231 HydrophobicContact CE1-CE3 4.21Å; E28-W231 HydrophobicContact CB-CE3 4.27Å; E28-W231 HydrophobicContact CB-CH2 4.04Å; E28-W231 HydrophobicContact CB-CZ3 3.7Å; Q227-W231 HydrophobicContact CB-CD2 4.17Å; Q227-W231 HydrophobicContact CB-CE3 4.03Å; Q227-W231 HydrophobicContact CB-CH2 3.69Å; Q227-W231 HydrophobicContact CB-CZ2 3.81Å; Q227-W231 HydrophobicContact CB-CZ3 3.8Å; Q227-W231 HydrophobicContact CG-CH2 3.94Å; Q227-W231 HydrophobicContact CG-CZ2 3.84Å; Q227-W231 WeakPolarHBondContact O-CB 3.48Å; Q227-W231 PolarHBondContact O-N 3.14Å; L228-W231 PolarHBondContact O-N 3.34Å; F229-W231 PolarHBondContact O-N 3.01Å; W231-D233 PolarHBondContact O-N 2.95Å; W231-D233 VanDerWaalsContact O-N 3.12Å; W231-K234 HydrophobicContact CB-CD 4.26Å; W231-K234 HydrophobicContact CG-CD 4.31Å; W231-K234 WeakPolarHBondContact O-CA 3.44Å; W231-K234 VanDerWaalsContact O-CB 3.27Å; W231-K234 WeakPolarHBondContact O-CB 3.36Å; W231-K234 PolarHBondContact O-N 2.78Å; W231-W235 VanDerWaalsContact C-CD1 3.47Å; W231-W235 PolarHBondContact O-N 2.87Å; W231-W235 PolarHBondContact O-NE1 3.05Å |
| 232 | I | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -51 | -40.3 | -177.1 | -168.1 | 166.1 | 0 | 0 | 0 | 113.3 | F163 T168 L228 F229 K234 W235 V236 | F163-I232 HydrophobicContact CE1-CG2 3.64Å; F163-I232 HydrophobicContact CZ-CG2 3.95Å; T168-I232 HydrophobicContact CG2-CD1 4.17Å; T168-I232 HydrophobicContact CG2-CG1 4.37Å; L228-I232 PolarHBondContact O-N 2.94Å; F229-I232 VanDerWaalsContact O-CB 3.29Å; F229-I232 WeakPolarHBondContact O-CB 3.46Å; F229-I232 VanDerWaalsContact O-CG2 3.24Å; F229-I232 WeakPolarHBondContact O-CG2 3.34Å; F229-I232 PolarHBondContact O-N 2.96Å; F229-I232 VanDerWaalsContact O-N 3.08Å; I232-K234 PolarHBondContact O-N 3.24Å; I232-K234 VanDerWaalsContact O-N 3.14Å; I232-W235 HydrophobicContact CB-CZ2 3.87Å; I232-W235 HydrophobicContact CD1-CH2 4.1Å; I232-W235 HydrophobicContact CD1-CZ2 4.18Å; I232-W235 HydrophobicContact CG1-CH2 3.78Å; I232-W235 HydrophobicContact CG1-CZ2 3.63Å; I232-W235 HydrophobicContact CG1-CZ3 4.4Å; I232-W235 PolarHBondContact O-N 3.31Å; I232-W235 VanDerWaalsContact O-N 3.15Å; I232-V236 HydrophobicContact CG1-CB 3.95Å; I232-V236 HydrophobicContact CG1-CG2 4.31Å; I232-V236 VanDerWaalsContact O-CB 3.23Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG1 3.28Å; I232-V236 WeakPolarHBondContact O-CG1 3.45Å; I232-V236 PolarHBondContact O-N 2.77Å |
| 233 | D | 98.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -20.6 | 178.7 | -71 | -22 | 0 | 0 | 0 | 113.3 | S165 V166 K167 W231 | S165-D233 WeakPolarHBondContact CA-OD2 3.39Å; S165-D233 WeakPolarHBondContact CB-OD1 3.47Å; S165-D233 PolarHBondContact OG-OD1 2.9Å; V166-D233 PolarHBondContact N-OD1 3.11Å; V166-D233 PolarHBondContact N-OD2 2.82Å; K167-D233 WeakPolarHBondContact CB-OD1 3.32Å; K167-D233 HydrophobicContact CD-CB 4.28Å; K167-D233 WeakPolarHBondContact CD-O 3.38Å; K167-D233 WeakPolarHBondContact CE-O 3.16Å; K167-D233 HydrophobicContact CG-CB 4.31Å; K167-D233 PolarHBondContact N-OD1 2.7Å; K167-D233 VanDerWaalsContact N-OD1 3.08Å; K167-D233 PolarHBondContact NZ-O 2.81Å; W231-D233 PolarHBondContact O-N 2.95Å; W231-D233 VanDerWaalsContact O-N 3.12Å |
| 234 | K | 98.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 50% | 0.504 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -84.1 | -27.1 | 177.7 | -56.9 | -177.4 | 179.2 | 176.7 | 0 | 112.9 | F24 W231 I232 | F24-K234 HydrophobicContact CE1-CB 3.99Å; F24-K234 HydrophobicContact CE1-CD 4.31Å; F24-K234 HydrophobicContact CE2-CB 4.15Å; F24-K234 HydrophobicContact CZ-CB 3.52Å; F24-K234 HydrophobicContact CZ-CD 3.96Å; F24-K234 HydrophobicContact CZ-CG 4.4Å; W231-K234 HydrophobicContact CB-CD 4.26Å; W231-K234 HydrophobicContact CG-CD 4.31Å; W231-K234 WeakPolarHBondContact O-CA 3.44Å; W231-K234 VanDerWaalsContact O-CB 3.27Å; W231-K234 WeakPolarHBondContact O-CB 3.36Å; W231-K234 PolarHBondContact O-N 2.78Å; I232-K234 PolarHBondContact O-N 3.24Å; I232-K234 VanDerWaalsContact O-N 3.14Å |
| 235 | W | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -121.3 | -17.5 | -170.9 | 62.9 | -108.6 | 0 | 0 | 0 | 115.7 | E17 G21 F24 L228 W231 I232 D237 L238 | E17-W235 HydrophobicContact CB-CH2 4.25Å; E17-W235 HydrophobicContact CB-CZ3 3.96Å; E17-W235 VanDerWaalsContact O-CZ3 3.31Å; E17-W235 WeakPolarHBondContact O-CZ3 3.39Å; G21-W235 VanDerWaalsContact CA-CE3 3.47Å; F24-W235 HydrophobicContact CB-CB 3.75Å; F24-W235 HydrophobicContact CB-CG 4.34Å; F24-W235 HydrophobicContact CD1-CB 3.84Å; F24-W235 AromaticContact CD1-CD1 3.68Å; F24-W235 HydrophobicContact CD1-CG 4.11Å; F24-W235 HydrophobicContact CD2-CB 3.88Å; F24-W235 HydrophobicContact CE1-CB 4.45Å; F24-W235 HydrophobicContact CE2-CB 4.46Å; F24-W235 HydrophobicContact CG-CB 3.54Å; F24-W235 HydrophobicContact CG-CG 4.23Å; L228-W235 HydrophobicContact CD2-CZ2 3.83Å; L228-W235 HydrophobicContact CG-CZ2 4.45Å; L228-W235 PolarHBondContact O-NE1 3.3Å; W231-W235 VanDerWaalsContact C-CD1 3.47Å; W231-W235 PolarHBondContact O-N 2.87Å; W231-W235 PolarHBondContact O-NE1 3.05Å; I232-W235 HydrophobicContact CB-CZ2 3.87Å; I232-W235 HydrophobicContact CD1-CH2 4.1Å; I232-W235 HydrophobicContact CD1-CZ2 4.18Å; I232-W235 HydrophobicContact CG1-CH2 3.78Å; I232-W235 HydrophobicContact CG1-CZ2 3.63Å; I232-W235 HydrophobicContact CG1-CZ3 4.4Å; I232-W235 PolarHBondContact O-N 3.31Å; I232-W235 VanDerWaalsContact O-N 3.15Å; W235-D237 PolarHBondContact O-N 3.18Å; W235-D237 VanDerWaalsContact O-N 3.17Å; W235-L238 HydrophobicContact CB-CD1 4.08Å; W235-L238 WeakPolarHBondContact O-CB 3.43Å; W235-L238 PolarHBondContact O-N 3.18Å |
| 236 | V | 98.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.6 | -172 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | K167 T168 I232 | K167-V236 HydrophobicContact CB-CG1 4.28Å; K167-V236 HydrophobicContact CD-CG1 3.95Å; T168-V236 HydrophobicContact CG2-CB 4.48Å; T168-V236 HydrophobicContact CG2-CG1 4.23Å; T168-V236 HydrophobicContact CG2-CG2 3.92Å; I232-V236 HydrophobicContact CG1-CB 3.95Å; I232-V236 HydrophobicContact CG1-CG2 4.31Å; I232-V236 VanDerWaalsContact O-CB 3.23Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG1 3.28Å; I232-V236 WeakPolarHBondContact O-CG1 3.45Å; I232-V236 PolarHBondContact O-N 2.77Å |
| 237 | D | 97.8 | Very high | 96.7 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 59% | 0.594 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.7 | 178.9 | -55.5 | -43 | 0 | 0 | 0 | 113.3 | K167 W235 | K167-D237 VanDerWaalsContact CD-OD2 3.23Å; K167-D237 WeakPolarHBondContact CD-OD2 3.26Å; K167-D237 VanDerWaalsContact CE-OD2 3.31Å; K167-D237 WeakPolarHBondContact CE-OD2 3.41Å; K167-D237 IonicContact NZ-OD2 3.47Å; K167-D237 PolarHBondContact NZ-OD2 3.29Å; W235-D237 PolarHBondContact O-N 3.18Å; W235-D237 VanDerWaalsContact O-N 3.17Å |
| 238 | L | 98 | Very high | 96.3 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | trans | -77.5 | 143 | 179.5 | -60.4 | 179.2 | 0 | 0 | 0 | 110.2 | V20 F24 W235 D242 I243 M246 | V20-L238 HydrophobicContact CG1-CB 3.81Å; V20-L238 WeakPolarHBondContact CG1-O 3.17Å; F24-L238 HydrophobicContact CD2-CD1 3.66Å; F24-L238 HydrophobicContact CE2-CD1 4.22Å; W235-L238 HydrophobicContact CB-CD1 4.08Å; W235-L238 WeakPolarHBondContact O-CB 3.43Å; W235-L238 PolarHBondContact O-N 3.18Å; L238-D242 HydrophobicContact CB-CB 4.25Å; L238-D242 HydrophobicContact CD2-CB 4.05Å; L238-I243 HydrophobicContact CB-CD1 4.47Å; L238-I243 HydrophobicContact CD1-CD1 4.04Å; L238-M246 HydrophobicContact CD1-SD 3.8Å | ||
| 239 | N | 96.7 | Very high | 96 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | -99.8 | 173.5 | 168.4 | 65 | 55.5 | 0 | 0 | 0 | 111.1 | D241 D242 I243 | N239-D241 VanDerWaalsContact C-N 3.27Å; N239-D241 PolarHBondContact O-N 2.94Å; N239-D241 WeakPolarHBondContact OD1-CA 3.48Å; N239-D241 VanDerWaalsContact OD1-CB 3.3Å; N239-D241 WeakPolarHBondContact OD1-CB 3.27Å; N239-D241 PolarHBondContact OD1-N 3.01Å; N239-D242 PolarHBondContact N-OD2 3.23Å; N239-D242 PolarHBondContact ND2-OD2 3.42Å; N239-D242 WeakPolarHBondContact O-CB 3.44Å; N239-D242 PolarHBondContact O-N 2.82Å; N239-D242 VanDerWaalsContact OD1-CG 3.3Å; N239-D242 PolarHBondContact OD1-N 3.46Å; N239-D242 PolarHBondContact OD1-OD2 3Å; N239-I243 WeakPolarHBondContact O-CG1 3.48Å; N239-I243 PolarHBondContact O-N 3.47Å; N239-I243 VanDerWaalsContact O-N 3.11Å | ||
| 240 | M | 94 | Very high | 95.7 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -30.7 | -179.8 | -74 | -58.4 | -51.8 | 0 | 0 | 113.6 | Q19 V20 L23 I243 R244 | Q19-M240 HydrophobicContact CG-SD 4.22Å; V20-M240 HydrophobicContact CG2-SD 4.22Å; L23-M240 HydrophobicContact CD1-CE 3.61Å; L23-M240 HydrophobicContact CD1-SD 4.16Å; M240-I243 WeakPolarHBondContact O-CB 3.23Å; M240-I243 PolarHBondContact O-N 3.23Å; M240-R244 WeakPolarHBondContact O-CG 3.3Å; M240-R244 PolarHBondContact O-N 3.37Å |
| 241 | D | 95.5 | Very high | 95.3 | Very high | 116 Ų | 116 | 55.5 Ų | 55.5 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69.4 | -38.1 | 176.6 | -64.9 | -26 | 0 | 0 | 0 | 111.1 | N239 I243 R244 R245 | N239-D241 VanDerWaalsContact C-N 3.27Å; N239-D241 PolarHBondContact O-N 2.94Å; N239-D241 WeakPolarHBondContact OD1-CA 3.48Å; N239-D241 VanDerWaalsContact OD1-CB 3.3Å; N239-D241 WeakPolarHBondContact OD1-CB 3.27Å; N239-D241 PolarHBondContact OD1-N 3.01Å; D241-I243 VanDerWaalsContact C-N 3.32Å; D241-R244 PolarHBondContact O-N 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.24Å; D241-R245 PolarHBondContact O-N 3.42Å; D241-R245 VanDerWaalsContact O-N 3.12Å; D241-R245 PolarHBondContact O-NH1 3.15Å |
| 242 | D | 96.9 | Very high | 94.9 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 172.6 | -53.8 | -35.1 | 0 | 0 | 0 | 110.4 | L238 N239 R244 R245 M246 | L238-D242 HydrophobicContact CB-CB 4.25Å; L238-D242 HydrophobicContact CD2-CB 4.05Å; N239-D242 PolarHBondContact N-OD2 3.23Å; N239-D242 PolarHBondContact ND2-OD2 3.42Å; N239-D242 WeakPolarHBondContact O-CB 3.44Å; N239-D242 PolarHBondContact O-N 2.82Å; N239-D242 VanDerWaalsContact OD1-CG 3.3Å; N239-D242 PolarHBondContact OD1-N 3.46Å; N239-D242 PolarHBondContact OD1-OD2 3Å; D242-R244 PolarHBondContact O-N 3.5Å; D242-R245 PolarHBondContact O-N 3.44Å; D242-R245 IonicContact OD1-CZ 2.7Å; D242-R245 VanDerWaalsContact OD1-CZ 3.31Å; D242-R245 IonicContact OD1-NH1 3.31Å; D242-R245 PolarHBondContact OD1-NH1 3.31Å; D242-R245 VanDerWaalsContact OD1-NH1 3.16Å; D242-R245 IonicContact OD1-NH2 3.16Å; D242-R245 PolarHBondContact OD1-NH2 3.4Å; D242-M246 WeakPolarHBondContact O-CG 3.49Å; D242-M246 PolarHBondContact O-N 3.47Å |
| 243 | I | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 176.4 | -65.8 | -60.7 | 0 | 0 | 0 | 111.7 | V20 L23 F24 L238 N239 M240 D241 R245 M246 E247 | V20-I243 HydrophobicContact CG1-CD1 3.88Å; V20-I243 HydrophobicContact CG1-CG1 3.89Å; L23-I243 HydrophobicContact CB-CG2 3.49Å; L23-I243 VanDerWaalsContact CB-CG2 3.49Å; L23-I243 HydrophobicContact CD1-CG2 3.69Å; L23-I243 HydrophobicContact CG-CG2 4.2Å; F24-I243 HydrophobicContact CB-CD1 3.95Å; L238-I243 HydrophobicContact CB-CD1 4.47Å; L238-I243 HydrophobicContact CD1-CD1 4.04Å; N239-I243 WeakPolarHBondContact O-CG1 3.48Å; N239-I243 PolarHBondContact O-N 3.47Å; N239-I243 VanDerWaalsContact O-N 3.11Å; M240-I243 WeakPolarHBondContact O-CB 3.23Å; M240-I243 PolarHBondContact O-N 3.23Å; D241-I243 VanDerWaalsContact C-N 3.32Å; I243-R245 VanDerWaalsContact C-N 3.33Å; I243-R245 PolarHBondContact O-N 3.06Å; I243-M246 PolarHBondContact O-N 3.18Å; I243-E247 HydrophobicContact CG2-CG 4.3Å; I243-E247 WeakPolarHBondContact O-CG 3.22Å; I243-E247 PolarHBondContact O-N 3.38Å |
| 244 | R | 92.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 30% | 0.302 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 178.5 | -66.4 | -48.4 | 178.1 | -165.3 | -3.1 | 112.7 | Q56 M240 D241 D242 E247 A248 | Q56-R244 VanDerWaalsContact OE1-NH2 3.15Å; M240-R244 WeakPolarHBondContact O-CG 3.3Å; M240-R244 PolarHBondContact O-N 3.37Å; D241-R244 PolarHBondContact O-N 3.48Å; D242-R244 PolarHBondContact O-N 3.5Å; R244-E247 WeakPolarHBondContact CD-OE2 3.48Å; R244-E247 IonicContact CZ-OE2 2.78Å; R244-E247 IonicContact NE-OE2 2.7Å; R244-E247 IonicContact NH1-OE1 3.49Å; R244-E247 PolarHBondContact NH1-OE1 3.29Å; R244-E247 IonicContact NH1-OE2 2.83Å; R244-E247 PolarHBondContact NH1-OE2 3.24Å; R244-A248 PolarHBondContact O-N 2.9Å |
| 245 | R | 94.1 | Very high | 93.9 | Very high | 135 Ų | 135 | 62.7 Ų | 62.7 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 173.2 | -65.7 | -169.2 | -48.5 | -88.3 | 4.7 | 111 | D241 D242 I243 E247 A248 E249 | D241-R245 WeakPolarHBondContact O-CG 3.24Å; D241-R245 PolarHBondContact O-N 3.42Å; D241-R245 VanDerWaalsContact O-N 3.12Å; D241-R245 PolarHBondContact O-NH1 3.15Å; D242-R245 PolarHBondContact O-N 3.44Å; D242-R245 IonicContact OD1-CZ 2.7Å; D242-R245 VanDerWaalsContact OD1-CZ 3.31Å; D242-R245 IonicContact OD1-NH1 3.31Å; D242-R245 PolarHBondContact OD1-NH1 3.31Å; D242-R245 VanDerWaalsContact OD1-NH1 3.16Å; D242-R245 IonicContact OD1-NH2 3.16Å; D242-R245 PolarHBondContact OD1-NH2 3.4Å; I243-R245 VanDerWaalsContact C-N 3.33Å; I243-R245 PolarHBondContact O-N 3.06Å; R245-E247 PolarHBondContact O-N 3.01Å; R245-A248 PolarHBondContact O-N 3.19Å; R245-E249 WeakPolarHBondContact O-CG 3.43Å; R245-E249 PolarHBondContact O-N 2.71Å |
| 246 | M | 93.7 | Very high | 93.4 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178 | -73.5 | -173.4 | 62.5 | 0 | 0 | 113.1 | F24 L238 D242 I243 A248 E249 T250 | F24-M246 HydrophobicContact CD2-CE 3.45Å; F24-M246 VanDerWaalsContact CD2-CE 3.45Å; F24-M246 HydrophobicContact CD2-SD 3.94Å; F24-M246 HydrophobicContact CE2-CE 3.56Å; F24-M246 HydrophobicContact CE2-SD 4.29Å; L238-M246 HydrophobicContact CD1-SD 3.8Å; D242-M246 WeakPolarHBondContact O-CG 3.49Å; D242-M246 PolarHBondContact O-N 3.47Å; I243-M246 PolarHBondContact O-N 3.18Å; M246-A248 VanDerWaalsContact C-N 3.32Å; M246-A248 PolarHBondContact O-N 3.48Å; M246-E249 PolarHBondContact O-N 2.78Å; M246-T250 VanDerWaalsContact O-CB 3.22Å; M246-T250 WeakPolarHBondContact O-CB 3.3Å; M246-T250 PolarHBondContact O-N 2.8Å; M246-T250 PolarHBondContact O-OG1 2.86Å |
| 247 | E | 90.6 | Very high | 93 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.7 | -75.5 | 179.6 | 151.6 | 0 | 0 | 111.6 | N45 I243 R244 R245 T250 Q251 | N45-E247 PolarHBondContact ND2-OE2 3.08Å; I243-E247 HydrophobicContact CG2-CG 4.3Å; I243-E247 WeakPolarHBondContact O-CG 3.22Å; I243-E247 PolarHBondContact O-N 3.38Å; R244-E247 WeakPolarHBondContact CD-OE2 3.48Å; R244-E247 IonicContact CZ-OE2 2.78Å; R244-E247 IonicContact NE-OE2 2.7Å; R244-E247 IonicContact NH1-OE1 3.49Å; R244-E247 PolarHBondContact NH1-OE1 3.29Å; R244-E247 IonicContact NH1-OE2 2.83Å; R244-E247 PolarHBondContact NH1-OE2 3.24Å; R245-E247 PolarHBondContact O-N 3.01Å; E247-T250 PolarHBondContact O-N 3.4Å; E247-Q251 PolarHBondContact O-N 2.84Å |
| 248 | A | 90.1 | Very high | 92.5 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R244 R245 M246 | R244-A248 PolarHBondContact O-N 2.9Å; R245-A248 PolarHBondContact O-N 3.19Å; M246-A248 VanDerWaalsContact C-N 3.32Å; M246-A248 PolarHBondContact O-N 3.48Å |
| 249 | E | 93.1 | Very high | 92 | Very high | 127 Ų | 127 | 70.5 Ų | 70.5 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.9 | -46.4 | 172.7 | -71.4 | 171.8 | -174.8 | 0 | 0 | 111.1 | R245 M246 Q251 K252 E253 | R245-E249 WeakPolarHBondContact O-CG 3.43Å; R245-E249 PolarHBondContact O-N 2.71Å; M246-E249 PolarHBondContact O-N 2.78Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 2.96Å; E249-K252 PolarHBondContact O-N 3.01Å; E249-K252 VanDerWaalsContact O-N 3.12Å; E249-E253 PolarHBondContact O-N 3Å |
| 250 | T | 92.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | A27 K31 M246 E247 K252 E253 L254 | A27-T250 HydrophobicContact CB-CG2 3.98Å; K31-T250 VanDerWaalsContact CE-OG1 3.27Å; K31-T250 WeakPolarHBondContact CE-OG1 3.35Å; K31-T250 HydrophobicContact CG-CG2 4.21Å; M246-T250 VanDerWaalsContact O-CB 3.22Å; M246-T250 WeakPolarHBondContact O-CB 3.3Å; M246-T250 PolarHBondContact O-N 2.8Å; M246-T250 PolarHBondContact O-OG1 2.86Å; E247-T250 PolarHBondContact O-N 3.4Å; T250-K252 VanDerWaalsContact C-N 3.28Å; T250-K252 PolarHBondContact O-N 3.17Å; T250-E253 PolarHBondContact O-N 2.92Å; T250-L254 HydrophobicContact CG2-CD1 3.79Å; T250-L254 HydrophobicContact CG2-CG 3.9Å; T250-L254 WeakPolarHBondContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CG 3.46Å; T250-L254 PolarHBondContact O-N 3.01Å |
| 251 | Q | 90.5 | Very high | 90.6 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 176.3 | 175.8 | 170.6 | 16.2 | 0 | 0 | 112.1 | V42 E247 E249 E255 | V42-Q251 HydrophobicContact CB-CB 4.45Å; V42-Q251 HydrophobicContact CB-CG 4.05Å; V42-Q251 HydrophobicContact CG1-CG 4.42Å; V42-Q251 PolarHBondContact O-NE2 3.04Å; E247-Q251 PolarHBondContact O-N 2.84Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 2.96Å; Q251-E255 PolarHBondContact O-N 3.13Å |
| 252 | K | 90.6 | Very high | 90.1 | Very high | 146 Ų | 146 | 76.7 Ų | 76.7 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.5 | -46.2 | 177.7 | -63.8 | 176.7 | -177.6 | 176.1 | 0 | 111.3 | E249 T250 L254 E255 E256 | E249-K252 PolarHBondContact O-N 3.01Å; E249-K252 VanDerWaalsContact O-N 3.12Å; T250-K252 VanDerWaalsContact C-N 3.28Å; T250-K252 PolarHBondContact O-N 3.17Å; K252-L254 VanDerWaalsContact C-N 3.33Å; K252-L254 PolarHBondContact O-N 3.01Å; K252-E255 WeakPolarHBondContact O-CB 3.36Å; K252-E255 PolarHBondContact O-N 3.42Å; K252-E255 VanDerWaalsContact O-N 3.15Å; K252-E256 PolarHBondContact O-N 3.28Å; K252-E256 VanDerWaalsContact O-N 3.12Å |
| 253 | E | 92.8 | Very high | 89.5 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | -179.9 | -167.7 | -177.6 | 172.7 | 0 | 0 | 111.4 | K31 E249 T250 E255 E256 L257 | K31-E253 WeakPolarHBondContact CD-OE2 3.32Å; K31-E253 WeakPolarHBondContact CE-OE2 3.18Å; K31-E253 IonicContact NZ-OE2 2.68Å; K31-E253 PolarHBondContact NZ-OE2 2.93Å; E249-E253 PolarHBondContact O-N 3Å; T250-E253 PolarHBondContact O-N 2.92Å; E253-E255 VanDerWaalsContact C-N 3.31Å; E253-E255 PolarHBondContact O-N 3.29Å; E253-E256 PolarHBondContact O-N 3.31Å; E253-L257 HydrophobicContact CG-CD1 3.88Å; E253-L257 HydrophobicContact CG-CG 4.24Å; E253-L257 WeakPolarHBondContact O-CB 3.37Å; E253-L257 WeakPolarHBondContact O-CG 3.27Å; E253-L257 PolarHBondContact O-N 2.7Å |
| 254 | L | 91 | Very high | 89.1 | Confident | 2 Ų | 2 | 83.4 Ų | 83.4 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.5 | -70.3 | 175.4 | 0 | 0 | 0 | 112.5 | S30 K31 T34 I40 V42 T250 K252 R258 | S30-L254 VanDerWaalsContact C-CD2 3.49Å; S30-L254 WeakPolarHBondContact O-CD2 3.47Å; K31-L254 HydrophobicContact CB-CD2 4.46Å; K31-L254 HydrophobicContact CG-CD2 4.05Å; T34-L254 HydrophobicContact CG2-CD2 4.14Å; I40-L254 HydrophobicContact CG2-CD1 4.43Å; V42-L254 HydrophobicContact CG2-CD1 4Å; T250-L254 HydrophobicContact CG2-CD1 3.79Å; T250-L254 HydrophobicContact CG2-CG 3.9Å; T250-L254 WeakPolarHBondContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CG 3.46Å; T250-L254 PolarHBondContact O-N 3.01Å; K252-L254 VanDerWaalsContact C-N 3.33Å; K252-L254 PolarHBondContact O-N 3.01Å; L254-R258 VanDerWaalsContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CB 3.44Å; L254-R258 PolarHBondContact O-N 2.84Å |
| 255 | E | 88.8 | Confident | 88.7 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.2 | -171.5 | 179.8 | 174.4 | 0 | 0 | 111.7 | Q251 K252 E253 K259 | Q251-E255 PolarHBondContact O-N 3.13Å; K252-E255 WeakPolarHBondContact O-CB 3.36Å; K252-E255 PolarHBondContact O-N 3.42Å; K252-E255 VanDerWaalsContact O-N 3.15Å; E253-E255 VanDerWaalsContact C-N 3.31Å; E253-E255 PolarHBondContact O-N 3.29Å; E255-K259 HydrophobicContact CG-CD 4.49Å; E255-K259 WeakPolarHBondContact O-CG 3.12Å; E255-K259 PolarHBondContact O-N 2.83Å; E255-K259 WeakPolarHBondContact OE1-CE 3.17Å; E255-K259 IonicContact OE1-NZ 3.48Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å |
| 256 | E | 89.6 | Confident | 88.1 | Confident | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -49.7 | 175.9 | -69 | 176.6 | 177.5 | 0 | 0 | 111.3 | K252 E253 R258 K259 Q260 | K252-E256 PolarHBondContact O-N 3.28Å; K252-E256 VanDerWaalsContact O-N 3.12Å; E253-E256 PolarHBondContact O-N 3.31Å; E256-R258 VanDerWaalsContact C-N 3.28Å; E256-R258 PolarHBondContact O-N 3.25Å; E256-K259 PolarHBondContact O-N 2.97Å; E256-K259 VanDerWaalsContact O-N 3.12Å; E256-Q260 WeakPolarHBondContact O-CB 3.43Å; E256-Q260 PolarHBondContact O-N 3.4Å; E256-Q260 VanDerWaalsContact O-N 3.08Å |
| 257 | L | 89.1 | Confident | 87.4 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 177.9 | -70.5 | 175.3 | 0 | 0 | 0 | 112 | K31 T34 G35 E253 | K31-L257 HydrophobicContact CB-CD1 4.37Å; T34-L257 HydrophobicContact CG2-CB 4.32Å; G35-L257 WeakPolarHBondContact CA-O 3.32Å; E253-L257 HydrophobicContact CG-CD1 3.88Å; E253-L257 HydrophobicContact CG-CG 4.24Å; E253-L257 WeakPolarHBondContact O-CB 3.37Å; E253-L257 WeakPolarHBondContact O-CG 3.27Å; E253-L257 PolarHBondContact O-N 2.7Å |
| 258 | R | 87.9 | Confident | 86.8 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 176.6 | -168.8 | 178.5 | 71 | 95.1 | -8.6 | 111.7 | T34 G37 E41 L254 E256 | T34-R258 HydrophobicContact CG2-CB 3.82Å; T34-R258 HydrophobicContact CG2-CG 4.46Å; G37-R258 WeakPolarHBondContact CA-O 3.43Å; G37-R258 PolarHBondContact N-O 2.53Å; E41-R258 IonicContact OE1-NH2 3.95Å; E41-R258 IonicContact OE2-CZ 3.52Å; E41-R258 IonicContact OE2-NE 2.78Å; E41-R258 IonicContact OE2-NH2 3.45Å; E41-R258 PolarHBondContact OE2-NH2 3.41Å; L254-R258 VanDerWaalsContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CB 3.44Å; L254-R258 PolarHBondContact O-N 2.84Å; E256-R258 VanDerWaalsContact C-N 3.28Å; E256-R258 PolarHBondContact O-N 3.25Å |
| 259 | K | 86.3 | Confident | 85.6 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -79.2 | -17.7 | -179.4 | -70.1 | 173.9 | -172.1 | 170.1 | 0 | 113.3 | E255 E256 | E255-K259 HydrophobicContact CG-CD 4.49Å; E255-K259 WeakPolarHBondContact O-CG 3.12Å; E255-K259 PolarHBondContact O-N 2.83Å; E255-K259 WeakPolarHBondContact OE1-CE 3.17Å; E255-K259 IonicContact OE1-NZ 3.48Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å; E256-K259 PolarHBondContact O-N 2.97Å; E256-K259 VanDerWaalsContact O-N 3.12Å |
| 260 | Q | 82.6 | Confident | 84 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -128.3 | 167.4 | -171.5 | -58.8 | -177.4 | 8 | 0 | 0 | 111.9 | G36 E256 | G36-Q260 PolarHBondContact N-O 3.46Å; E256-Q260 WeakPolarHBondContact O-CB 3.43Å; E256-Q260 PolarHBondContact O-N 3.4Å; E256-Q260 VanDerWaalsContact O-N 3.08Å |
| 261 | G | 79.2 | Confident | 82.2 | Confident | 69 Ų | 69 | 84.2 Ų | 84.2 | 71% | 0.711 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 73.1 | -163.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G36 | G36-G261 WeakPolarHBondContact CA-O 3.47Š|
| 262 | E | 84.3 | Confident | 81.8 | Confident | 169 Ų | 169 | 85.1 Ų | 85.1 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | trans | -106.6 | 157.7 | -177.3 | -62.8 | -177.2 | 165.7 | 0 | 0 | 111.5 | G35 G36 R264 | G35-E262 CarbonylContact C-O 3.53Å; G35-E262 WeakPolarHBondContact CA-O 3.22Å; G36-E262 PolarHBondContact N-O 3.11Å; E262-R264 PolarHBondContact O-N 2.94Å | ||
| 263 | V | 84.7 | Confident | 81.4 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | trans | -63.2 | 133.3 | 172.2 | 179 | 0 | 0 | 0 | 0 | 109.2 | E38 | E38-V263 HydrophobicContact CB-CG2 4.48Å; E38-V263 HydrophobicContact CG-CG2 4.4Å | ||
| 264 | R | 87.4 | Confident | 80.7 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | trans | -146.3 | 172.4 | -176.5 | 60.1 | 177.2 | 166 | -168.8 | -5.3 | 112.1 | T34 K67 E262 | T34-R264 PolarHBondContact O-NE 2.84Å; T34-R264 PolarHBondContact O-NH2 3.3Å; K67-R264 WeakPolarHBondContact CE-O 3.15Å; K67-R264 PolarHBondContact NZ-O 3.14Å; E262-R264 PolarHBondContact O-N 2.94Å | ||
| 265 | G | 84.1 | Confident | 80.1 | Confident | 48 Ų | 48 | 87 Ų | 87 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 89.6 | -158.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N32 E33 | N32-G265 WeakPolarHBondContact O-CA 3.46Å; E33-G265 WeakPolarHBondContact OE2-CA 3.37Å |
| 266 | T | 81.7 | Confident | 79.6 | Confident | 53 Ų | 53 | 86.4 Ų | 86.4 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | trans | -73.4 | 131.7 | -172.4 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | E33 R219 | E33-T266 VanDerWaalsContact CD-N 3.25Å; E33-T266 WeakPolarHBondContact OE1-CB 3.3Å; E33-T266 PolarHBondContact OE1-N 2.97Å; E33-T266 PolarHBondContact OE1-OG1 3.35Å; E33-T266 PolarHBondContact OE2-N 3.11Å; R219-T266 VanDerWaalsContact CZ-CG2 3.44Å; R219-T266 VanDerWaalsContact NH2-CG2 3.31Å | ||
| 267 | S | 78.8 | Confident | 78.9 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | trans | -116.5 | 142.4 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | R219 A269 | R219-S267 PolarHBondContact NH1-O 3.33Å; S267-A269 WeakPolarHBondContact OG-CB 3.38Å; S267-A269 PolarHBondContact OG-N 3.14Å | ||
| 268 | A | 78.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 87.2 Ų | 87.2 | 7% | 0.066 | 48% | 0.479 | C | S | . | . | trans | -111 | 14 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | K67 P69 F212 D270 Q271 | K67-A268 PolarHBondContact O-N 3.32Å; P69-A268 WeakPolarHBondContact CA-O 3.17Å; P69-A268 HydrophobicContact CG-CB 4.15Å; P69-A268 WeakPolarHBondContact CG-O 3.38Å; F212-A268 HydrophobicContact CZ-CB 4.09Å; A268-D270 VanDerWaalsContact C-N 3.25Å; A268-D270 PolarHBondContact O-N 3.28Å; A268-Q271 PolarHBondContact O-N 3.16Å | ||
| 269 | A | 64 | Low | 77.5 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -36.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S267 | S267-A269 WeakPolarHBondContact OG-CB 3.38Å; S267-A269 PolarHBondContact OG-N 3.14Å |
| 270 | D | 59.5 | Low | 76.7 | Confident | 162 Ų | 162 | 85.9 Ų | 85.9 | 87% | 0.866 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.1 | -174.3 | -54.7 | -40.9 | 0 | 0 | 0 | 113.5 | A268 | A268-D270 VanDerWaalsContact C-N 3.25Å; A268-D270 PolarHBondContact O-N 3.28Å |
| 271 | Q | 55.9 | Low | 76.2 | Confident | 131 Ų | 131 | 81.2 Ų | 81.2 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | trans | -97.3 | 0 | 179.3 | -68.5 | -173.5 | -2.7 | 0 | 0 | 113.2 | A268 | A268-Q271 PolarHBondContact O-N 3.16Š|
Retrieved 271 of 271 residues in 662.2 ms
(Link to these results)